USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 608 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 45 MET CE :methyl -128:sc= -0.16 (180deg=-3.33!) USER MOD Set 1.2: A 60 MET CE :methyl -143:sc= -0.116 (180deg=-0.888) USER MOD Set 1.3: A 81 MET CE :methyl -130:sc=-0.00275 (180deg=-1.54!) USER MOD Set 1.4: A 84 CYS SG : rot -170:sc=-0.00409 USER MOD Single : A 5 TYR OH : rot 180:sc= -0.955 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.599 K(o=-0.6,f=-2.1) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0567 USER MOD Single : A 16 GLN : amide:sc= -1.97! X(o=-2!,f=-1.7) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -3.84! C(o=-3.8!,f=-7.9!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 121:sc= -5.88! USER MOD Single : A 37 SER OG : rot 160:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc=-0.00227 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -105:sc= -2.77! (180deg=-5.83!) USER MOD Single : A 47 MET CE :methyl -145:sc= -3.54 (180deg=-4.13!) USER MOD Single : A 50 GLN : amide:sc= -0.559 K(o=-0.56,f=-2.6!) USER MOD Single : A 51 ASN :FLIP amide:sc= 0.0777 F(o=-1.2,f=0.078) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0158 USER MOD Single : A 58 GLN : amide:sc= -0.282 K(o=-0.28,f=-1.6!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 19:sc= 0.364! USER MOD Single : A 80 MET CE :methyl 178:sc= -4.9! (180deg=-5.09!) USER MOD Single : A 85 MET CE :methyl -160:sc= -0.0733 (180deg=-0.416) USER MOD ----------------------------------------------------------------- ATOM 44 N ILE A 4 83.427 2.861 2.788 1.00 0.90 N ATOM 45 CA ILE A 4 83.159 1.752 3.748 1.00 0.89 C ATOM 46 C ILE A 4 81.939 0.945 3.294 1.00 0.82 C ATOM 47 O ILE A 4 81.923 -0.268 3.362 1.00 0.85 O ATOM 48 CB ILE A 4 82.878 2.445 5.081 1.00 0.85 C ATOM 49 CG1 ILE A 4 81.498 3.103 5.033 1.00 1.02 C ATOM 50 CG2 ILE A 4 83.942 3.515 5.332 1.00 0.75 C ATOM 51 CD1 ILE A 4 81.262 3.889 6.325 1.00 1.74 C ATOM 0 HA ILE A 4 83.993 1.054 3.819 1.00 0.89 H new ATOM 0 HB ILE A 4 82.903 1.710 5.885 1.00 0.85 H new ATOM 0 HG12 ILE A 4 81.430 3.769 4.172 1.00 1.02 H new ATOM 0 HG13 ILE A 4 80.725 2.344 4.910 1.00 1.02 H new ATOM 0 HG21 ILE A 4 83.743 4.010 6.282 1.00 0.75 H new ATOM 0 HG22 ILE A 4 84.927 3.048 5.365 1.00 0.75 H new ATOM 0 HG23 ILE A 4 83.916 4.250 4.527 1.00 0.75 H new ATOM 0 HD11 ILE A 4 80.279 4.358 6.291 1.00 1.74 H new ATOM 0 HD12 ILE A 4 81.312 3.211 7.177 1.00 1.74 H new ATOM 0 HD13 ILE A 4 82.027 4.658 6.428 1.00 1.74 H new ATOM 63 N TYR A 5 80.917 1.611 2.830 1.00 0.78 N ATOM 64 CA TYR A 5 79.698 0.885 2.371 1.00 0.78 C ATOM 65 C TYR A 5 80.015 0.051 1.127 1.00 0.92 C ATOM 66 O TYR A 5 79.320 -0.892 0.806 1.00 0.99 O ATOM 67 CB TYR A 5 78.687 1.982 2.038 1.00 0.78 C ATOM 68 CG TYR A 5 78.307 2.717 3.302 1.00 0.92 C ATOM 69 CD1 TYR A 5 77.437 2.121 4.222 1.00 1.31 C ATOM 70 CD2 TYR A 5 78.826 3.993 3.551 1.00 1.77 C ATOM 71 CE1 TYR A 5 77.086 2.803 5.394 1.00 1.36 C ATOM 72 CE2 TYR A 5 78.474 4.675 4.724 1.00 2.00 C ATOM 73 CZ TYR A 5 77.604 4.079 5.645 1.00 1.35 C ATOM 74 OH TYR A 5 77.257 4.750 6.799 1.00 1.60 O ATOM 0 H TYR A 5 80.873 2.627 2.749 1.00 0.78 H new ATOM 0 HA TYR A 5 79.319 0.196 3.126 1.00 0.78 H new ATOM 0 HB2 TYR A 5 79.113 2.677 1.315 1.00 0.78 H new ATOM 0 HB3 TYR A 5 77.800 1.547 1.577 1.00 0.78 H new ATOM 0 HD1 TYR A 5 77.037 1.137 4.029 1.00 1.31 H new ATOM 0 HD2 TYR A 5 79.497 4.452 2.840 1.00 1.77 H new ATOM 0 HE1 TYR A 5 76.415 2.344 6.105 1.00 1.36 H new ATOM 0 HE2 TYR A 5 78.874 5.660 4.917 1.00 2.00 H new ATOM 0 HH TYR A 5 77.705 5.622 6.818 1.00 1.60 H new ATOM 84 N LYS A 6 81.062 0.391 0.425 1.00 1.02 N ATOM 85 CA LYS A 6 81.423 -0.383 -0.796 1.00 1.19 C ATOM 86 C LYS A 6 81.528 -1.875 -0.464 1.00 1.15 C ATOM 87 O LYS A 6 81.220 -2.724 -1.277 1.00 1.19 O ATOM 88 CB LYS A 6 82.782 0.168 -1.226 1.00 1.38 C ATOM 89 CG LYS A 6 82.999 -0.111 -2.715 1.00 1.86 C ATOM 90 CD LYS A 6 82.831 1.188 -3.507 1.00 1.94 C ATOM 91 CE LYS A 6 83.326 0.980 -4.939 1.00 2.16 C ATOM 92 NZ LYS A 6 84.753 1.406 -4.918 1.00 2.91 N ATOM 0 H LYS A 6 81.682 1.171 0.644 1.00 1.02 H new ATOM 0 HA LYS A 6 80.676 -0.285 -1.584 1.00 1.19 H new ATOM 0 HB2 LYS A 6 82.828 1.240 -1.036 1.00 1.38 H new ATOM 0 HB3 LYS A 6 83.576 -0.294 -0.639 1.00 1.38 H new ATOM 0 HG2 LYS A 6 83.995 -0.522 -2.877 1.00 1.86 H new ATOM 0 HG3 LYS A 6 82.285 -0.857 -3.064 1.00 1.86 H new ATOM 0 HD2 LYS A 6 81.784 1.490 -3.513 1.00 1.94 H new ATOM 0 HD3 LYS A 6 83.392 1.992 -3.030 1.00 1.94 H new ATOM 0 HE2 LYS A 6 83.230 -0.062 -5.243 1.00 2.16 H new ATOM 0 HE3 LYS A 6 82.747 1.573 -5.647 1.00 2.16 H new ATOM 0 HZ1 LYS A 6 85.163 1.292 -5.867 1.00 2.91 H new ATOM 0 HZ2 LYS A 6 84.813 2.404 -4.632 1.00 2.91 H new ATOM 0 HZ3 LYS A 6 85.280 0.819 -4.240 1.00 2.91 H new ATOM 106 N ALA A 7 81.958 -2.198 0.725 1.00 1.13 N ATOM 107 CA ALA A 7 82.082 -3.634 1.108 1.00 1.14 C ATOM 108 C ALA A 7 80.707 -4.209 1.460 1.00 1.06 C ATOM 109 O ALA A 7 80.477 -5.398 1.363 1.00 1.10 O ATOM 110 CB ALA A 7 82.996 -3.641 2.334 1.00 1.20 C ATOM 0 H ALA A 7 82.229 -1.531 1.447 1.00 1.13 H new ATOM 0 HA ALA A 7 82.483 -4.243 0.298 1.00 1.14 H new ATOM 0 HB1 ALA A 7 83.137 -4.666 2.677 1.00 1.20 H new ATOM 0 HB2 ALA A 7 83.962 -3.211 2.070 1.00 1.20 H new ATOM 0 HB3 ALA A 7 82.542 -3.051 3.130 1.00 1.20 H new ATOM 116 N ALA A 8 79.792 -3.374 1.871 1.00 0.99 N ATOM 117 CA ALA A 8 78.434 -3.874 2.229 1.00 0.95 C ATOM 118 C ALA A 8 77.837 -4.663 1.061 1.00 0.95 C ATOM 119 O ALA A 8 77.473 -5.814 1.198 1.00 1.02 O ATOM 120 CB ALA A 8 77.609 -2.617 2.506 1.00 0.91 C ATOM 0 H ALA A 8 79.926 -2.368 1.974 1.00 0.99 H new ATOM 0 HA ALA A 8 78.454 -4.545 3.088 1.00 0.95 H new ATOM 0 HB1 ALA A 8 76.592 -2.902 2.777 1.00 0.91 H new ATOM 0 HB2 ALA A 8 78.061 -2.059 3.326 1.00 0.91 H new ATOM 0 HB3 ALA A 8 77.585 -1.993 1.612 1.00 0.91 H new ATOM 126 N VAL A 9 77.737 -4.053 -0.088 1.00 0.97 N ATOM 127 CA VAL A 9 77.165 -4.768 -1.265 1.00 1.07 C ATOM 128 C VAL A 9 78.056 -5.955 -1.645 1.00 1.16 C ATOM 129 O VAL A 9 77.580 -6.988 -2.074 1.00 1.18 O ATOM 130 CB VAL A 9 77.145 -3.731 -2.387 1.00 1.21 C ATOM 131 CG1 VAL A 9 76.677 -4.390 -3.685 1.00 1.89 C ATOM 132 CG2 VAL A 9 76.183 -2.600 -2.016 1.00 1.49 C ATOM 0 H VAL A 9 78.026 -3.091 -0.263 1.00 0.97 H new ATOM 0 HA VAL A 9 76.171 -5.168 -1.064 1.00 1.07 H new ATOM 0 HB VAL A 9 78.148 -3.328 -2.526 1.00 1.21 H new ATOM 0 HG11 VAL A 9 76.663 -3.649 -4.485 1.00 1.89 H new ATOM 0 HG12 VAL A 9 77.360 -5.197 -3.950 1.00 1.89 H new ATOM 0 HG13 VAL A 9 75.674 -4.794 -3.547 1.00 1.89 H new ATOM 0 HG21 VAL A 9 76.167 -1.859 -2.815 1.00 1.49 H new ATOM 0 HG22 VAL A 9 75.181 -3.006 -1.877 1.00 1.49 H new ATOM 0 HG23 VAL A 9 76.515 -2.129 -1.091 1.00 1.49 H new ATOM 142 N GLU A 10 79.344 -5.815 -1.491 1.00 1.28 N ATOM 143 CA GLU A 10 80.263 -6.936 -1.842 1.00 1.44 C ATOM 144 C GLU A 10 79.941 -8.167 -0.991 1.00 1.41 C ATOM 145 O GLU A 10 80.143 -9.292 -1.406 1.00 1.54 O ATOM 146 CB GLU A 10 81.664 -6.414 -1.523 1.00 1.68 C ATOM 147 CG GLU A 10 82.699 -7.492 -1.854 1.00 2.16 C ATOM 148 CD GLU A 10 83.591 -7.009 -2.999 1.00 2.64 C ATOM 149 OE1 GLU A 10 84.317 -6.049 -2.795 1.00 3.13 O ATOM 150 OE2 GLU A 10 83.534 -7.606 -4.061 1.00 3.13 O ATOM 0 H GLU A 10 79.800 -4.974 -1.138 1.00 1.28 H new ATOM 0 HA GLU A 10 80.169 -7.237 -2.885 1.00 1.44 H new ATOM 0 HB2 GLU A 10 81.867 -5.511 -2.099 1.00 1.68 H new ATOM 0 HB3 GLU A 10 81.731 -6.142 -0.470 1.00 1.68 H new ATOM 0 HG2 GLU A 10 83.305 -7.712 -0.975 1.00 2.16 H new ATOM 0 HG3 GLU A 10 82.198 -8.418 -2.135 1.00 2.16 H new ATOM 157 N GLN A 11 79.441 -7.963 0.197 1.00 1.37 N ATOM 158 CA GLN A 11 79.105 -9.121 1.074 1.00 1.43 C ATOM 159 C GLN A 11 77.896 -9.874 0.515 1.00 1.24 C ATOM 160 O GLN A 11 77.780 -11.075 0.658 1.00 1.31 O ATOM 161 CB GLN A 11 78.769 -8.502 2.431 1.00 1.58 C ATOM 162 CG GLN A 11 79.954 -8.682 3.383 1.00 1.88 C ATOM 163 CD GLN A 11 80.599 -7.321 3.655 1.00 2.09 C ATOM 164 OE1 GLN A 11 81.599 -6.979 3.055 1.00 2.64 O ATOM 165 NE2 GLN A 11 80.065 -6.526 4.541 1.00 2.48 N ATOM 0 H GLN A 11 79.251 -7.045 0.598 1.00 1.37 H new ATOM 0 HA GLN A 11 79.922 -9.839 1.143 1.00 1.43 H new ATOM 0 HB2 GLN A 11 78.542 -7.443 2.313 1.00 1.58 H new ATOM 0 HB3 GLN A 11 77.879 -8.974 2.848 1.00 1.58 H new ATOM 0 HG2 GLN A 11 79.619 -9.131 4.318 1.00 1.88 H new ATOM 0 HG3 GLN A 11 80.685 -9.363 2.947 1.00 1.88 H new ATOM 0 HE21 GLN A 11 79.226 -6.814 5.044 1.00 2.48 H new ATOM 0 HE22 GLN A 11 80.487 -5.617 4.730 1.00 2.48 H new ATOM 174 N LEU A 12 76.994 -9.178 -0.121 1.00 1.24 N ATOM 175 CA LEU A 12 75.792 -9.853 -0.687 1.00 1.13 C ATOM 176 C LEU A 12 76.162 -10.611 -1.966 1.00 1.02 C ATOM 177 O LEU A 12 77.047 -10.218 -2.699 1.00 1.28 O ATOM 178 CB LEU A 12 74.814 -8.719 -1.000 1.00 1.12 C ATOM 179 CG LEU A 12 74.549 -7.910 0.271 1.00 1.28 C ATOM 180 CD1 LEU A 12 73.840 -6.604 -0.091 1.00 2.02 C ATOM 181 CD2 LEU A 12 73.663 -8.726 1.217 1.00 1.49 C ATOM 0 H LEU A 12 77.038 -8.170 -0.273 1.00 1.24 H new ATOM 0 HA LEU A 12 75.365 -10.583 0.001 1.00 1.13 H new ATOM 0 HB2 LEU A 12 75.225 -8.073 -1.776 1.00 1.12 H new ATOM 0 HB3 LEU A 12 73.880 -9.126 -1.386 1.00 1.12 H new ATOM 0 HG LEU A 12 75.496 -7.684 0.761 1.00 1.28 H new ATOM 0 HD11 LEU A 12 73.652 -6.029 0.816 1.00 2.02 H new ATOM 0 HD12 LEU A 12 74.469 -6.023 -0.765 1.00 2.02 H new ATOM 0 HD13 LEU A 12 72.893 -6.828 -0.582 1.00 2.02 H new ATOM 0 HD21 LEU A 12 73.473 -8.151 2.124 1.00 1.49 H new ATOM 0 HD22 LEU A 12 72.717 -8.952 0.725 1.00 1.49 H new ATOM 0 HD23 LEU A 12 74.168 -9.656 1.476 1.00 1.49 H new ATOM 193 N THR A 13 75.490 -11.697 -2.237 1.00 0.93 N ATOM 194 CA THR A 13 75.802 -12.482 -3.467 1.00 0.93 C ATOM 195 C THR A 13 74.788 -12.158 -4.568 1.00 0.88 C ATOM 196 O THR A 13 73.675 -11.752 -4.298 1.00 0.86 O ATOM 197 CB THR A 13 75.688 -13.951 -3.050 1.00 1.03 C ATOM 198 OG1 THR A 13 75.315 -14.034 -1.681 1.00 1.13 O ATOM 199 CG2 THR A 13 77.035 -14.646 -3.255 1.00 1.20 C ATOM 0 H THR A 13 74.738 -12.075 -1.660 1.00 0.93 H new ATOM 0 HA THR A 13 76.791 -12.250 -3.862 1.00 0.93 H new ATOM 0 HB THR A 13 74.929 -14.440 -3.660 1.00 1.03 H new ATOM 0 HG1 THR A 13 75.241 -14.975 -1.418 1.00 1.13 H new ATOM 0 HG21 THR A 13 76.954 -15.692 -2.958 1.00 1.20 H new ATOM 0 HG22 THR A 13 77.318 -14.588 -4.306 1.00 1.20 H new ATOM 0 HG23 THR A 13 77.794 -14.154 -2.647 1.00 1.20 H new ATOM 207 N GLU A 14 75.163 -12.335 -5.805 1.00 0.88 N ATOM 208 CA GLU A 14 74.218 -12.036 -6.919 1.00 0.87 C ATOM 209 C GLU A 14 72.883 -12.750 -6.684 1.00 0.82 C ATOM 210 O GLU A 14 71.827 -12.220 -6.968 1.00 0.79 O ATOM 211 CB GLU A 14 74.898 -12.576 -8.177 1.00 0.99 C ATOM 212 CG GLU A 14 73.880 -12.647 -9.316 1.00 1.98 C ATOM 213 CD GLU A 14 74.611 -12.616 -10.659 1.00 2.36 C ATOM 214 OE1 GLU A 14 75.811 -12.836 -10.663 1.00 2.36 O ATOM 215 OE2 GLU A 14 73.959 -12.371 -11.661 1.00 3.17 O ATOM 0 H GLU A 14 76.081 -12.673 -6.093 1.00 0.88 H new ATOM 0 HA GLU A 14 74.002 -10.971 -7.000 1.00 0.87 H new ATOM 0 HB2 GLU A 14 75.730 -11.931 -8.459 1.00 0.99 H new ATOM 0 HB3 GLU A 14 75.312 -13.565 -7.983 1.00 0.99 H new ATOM 0 HG2 GLU A 14 73.289 -13.559 -9.233 1.00 1.98 H new ATOM 0 HG3 GLU A 14 73.185 -11.810 -9.249 1.00 1.98 H new ATOM 222 N GLU A 15 72.923 -13.947 -6.168 1.00 0.85 N ATOM 223 CA GLU A 15 71.655 -14.692 -5.917 1.00 0.84 C ATOM 224 C GLU A 15 70.872 -14.031 -4.781 1.00 0.76 C ATOM 225 O GLU A 15 69.665 -14.154 -4.693 1.00 0.70 O ATOM 226 CB GLU A 15 72.099 -16.100 -5.517 1.00 0.92 C ATOM 227 CG GLU A 15 72.768 -16.054 -4.143 1.00 1.49 C ATOM 228 CD GLU A 15 71.800 -16.590 -3.086 1.00 1.88 C ATOM 229 OE1 GLU A 15 70.965 -15.824 -2.633 1.00 2.62 O ATOM 230 OE2 GLU A 15 71.909 -17.757 -2.748 1.00 2.07 O ATOM 0 H GLU A 15 73.777 -14.442 -5.909 1.00 0.85 H new ATOM 0 HA GLU A 15 71.000 -14.703 -6.788 1.00 0.84 H new ATOM 0 HB2 GLU A 15 71.240 -16.770 -5.492 1.00 0.92 H new ATOM 0 HB3 GLU A 15 72.793 -16.498 -6.258 1.00 0.92 H new ATOM 0 HG2 GLU A 15 73.681 -16.650 -4.151 1.00 1.49 H new ATOM 0 HG3 GLU A 15 73.057 -15.031 -3.901 1.00 1.49 H new ATOM 237 N GLN A 16 71.545 -13.326 -3.914 1.00 0.79 N ATOM 238 CA GLN A 16 70.842 -12.654 -2.790 1.00 0.74 C ATOM 239 C GLN A 16 70.302 -11.298 -3.264 1.00 0.68 C ATOM 240 O GLN A 16 69.175 -10.937 -2.990 1.00 0.67 O ATOM 241 CB GLN A 16 71.922 -12.503 -1.706 1.00 0.79 C ATOM 242 CG GLN A 16 71.771 -11.169 -0.971 1.00 0.88 C ATOM 243 CD GLN A 16 70.469 -11.171 -0.168 1.00 1.70 C ATOM 244 OE1 GLN A 16 70.376 -11.814 0.859 1.00 2.53 O ATOM 245 NE2 GLN A 16 69.452 -10.474 -0.595 1.00 2.20 N ATOM 0 H GLN A 16 72.555 -13.187 -3.937 1.00 0.79 H new ATOM 0 HA GLN A 16 69.982 -13.207 -2.414 1.00 0.74 H new ATOM 0 HB2 GLN A 16 71.847 -13.326 -0.995 1.00 0.79 H new ATOM 0 HB3 GLN A 16 72.911 -12.563 -2.161 1.00 0.79 H new ATOM 0 HG2 GLN A 16 72.620 -11.010 -0.306 1.00 0.88 H new ATOM 0 HG3 GLN A 16 71.768 -10.346 -1.686 1.00 0.88 H new ATOM 0 HE21 GLN A 16 69.530 -9.934 -1.457 1.00 2.20 H new ATOM 0 HE22 GLN A 16 68.579 -10.469 -0.067 1.00 2.20 H new ATOM 254 N LYS A 17 71.100 -10.550 -3.978 1.00 0.69 N ATOM 255 CA LYS A 17 70.634 -9.223 -4.474 1.00 0.68 C ATOM 256 C LYS A 17 69.416 -9.402 -5.384 1.00 0.62 C ATOM 257 O LYS A 17 68.693 -8.466 -5.663 1.00 0.57 O ATOM 258 CB LYS A 17 71.815 -8.658 -5.265 1.00 0.79 C ATOM 259 CG LYS A 17 72.797 -7.980 -4.307 1.00 1.01 C ATOM 260 CD LYS A 17 74.231 -8.287 -4.744 1.00 1.53 C ATOM 261 CE LYS A 17 74.695 -7.232 -5.753 1.00 1.70 C ATOM 262 NZ LYS A 17 75.995 -7.741 -6.270 1.00 2.33 N ATOM 0 H LYS A 17 72.054 -10.800 -4.239 1.00 0.69 H new ATOM 0 HA LYS A 17 70.333 -8.560 -3.663 1.00 0.68 H new ATOM 0 HB2 LYS A 17 72.317 -9.458 -5.810 1.00 0.79 H new ATOM 0 HB3 LYS A 17 71.460 -7.941 -6.006 1.00 0.79 H new ATOM 0 HG2 LYS A 17 72.630 -6.903 -4.301 1.00 1.01 H new ATOM 0 HG3 LYS A 17 72.632 -8.334 -3.289 1.00 1.01 H new ATOM 0 HD2 LYS A 17 74.893 -8.293 -3.878 1.00 1.53 H new ATOM 0 HD3 LYS A 17 74.282 -9.280 -5.191 1.00 1.53 H new ATOM 0 HE2 LYS A 17 73.970 -7.110 -6.558 1.00 1.70 H new ATOM 0 HE3 LYS A 17 74.813 -6.257 -5.279 1.00 1.70 H new ATOM 0 HZ1 LYS A 17 76.377 -7.071 -6.968 1.00 2.33 H new ATOM 0 HZ2 LYS A 17 76.667 -7.841 -5.482 1.00 2.33 H new ATOM 0 HZ3 LYS A 17 75.851 -8.667 -6.721 1.00 2.33 H new ATOM 276 N ASN A 18 69.187 -10.599 -5.851 1.00 0.65 N ATOM 277 CA ASN A 18 68.017 -10.842 -6.744 1.00 0.64 C ATOM 278 C ASN A 18 66.710 -10.688 -5.961 1.00 0.58 C ATOM 279 O ASN A 18 65.706 -10.254 -6.490 1.00 0.56 O ATOM 280 CB ASN A 18 68.186 -12.283 -7.228 1.00 0.73 C ATOM 281 CG ASN A 18 69.308 -12.347 -8.266 1.00 0.91 C ATOM 282 OD1 ASN A 18 70.140 -13.232 -8.225 1.00 1.55 O ATOM 283 ND2 ASN A 18 69.368 -11.440 -9.203 1.00 1.35 N ATOM 0 H ASN A 18 69.759 -11.420 -5.653 1.00 0.65 H new ATOM 0 HA ASN A 18 67.974 -10.134 -7.572 1.00 0.64 H new ATOM 0 HB2 ASN A 18 68.418 -12.935 -6.386 1.00 0.73 H new ATOM 0 HB3 ASN A 18 67.254 -12.643 -7.663 1.00 0.73 H new ATOM 0 HD21 ASN A 18 70.112 -11.475 -9.899 1.00 1.35 H new ATOM 0 HD22 ASN A 18 68.670 -10.697 -9.239 1.00 1.35 H new ATOM 290 N GLU A 19 66.716 -11.041 -4.705 1.00 0.62 N ATOM 291 CA GLU A 19 65.474 -10.916 -3.888 1.00 0.64 C ATOM 292 C GLU A 19 65.071 -9.444 -3.760 1.00 0.58 C ATOM 293 O GLU A 19 63.967 -9.060 -4.091 1.00 0.61 O ATOM 294 CB GLU A 19 65.841 -11.492 -2.521 1.00 0.75 C ATOM 295 CG GLU A 19 64.905 -12.655 -2.188 1.00 1.47 C ATOM 296 CD GLU A 19 65.731 -13.910 -1.905 1.00 2.01 C ATOM 297 OE1 GLU A 19 66.012 -14.635 -2.845 1.00 2.50 O ATOM 298 OE2 GLU A 19 66.068 -14.127 -0.752 1.00 2.64 O ATOM 0 H GLU A 19 67.527 -11.411 -4.208 1.00 0.62 H new ATOM 0 HA GLU A 19 64.629 -11.438 -4.337 1.00 0.64 H new ATOM 0 HB2 GLU A 19 66.876 -11.834 -2.525 1.00 0.75 H new ATOM 0 HB3 GLU A 19 65.764 -10.719 -1.756 1.00 0.75 H new ATOM 0 HG2 GLU A 19 64.293 -12.406 -1.321 1.00 1.47 H new ATOM 0 HG3 GLU A 19 64.223 -12.836 -3.018 1.00 1.47 H new ATOM 305 N PHE A 20 65.961 -8.618 -3.280 1.00 0.58 N ATOM 306 CA PHE A 20 65.634 -7.172 -3.128 1.00 0.59 C ATOM 307 C PHE A 20 65.227 -6.570 -4.476 1.00 0.53 C ATOM 308 O PHE A 20 64.316 -5.772 -4.563 1.00 0.54 O ATOM 309 CB PHE A 20 66.925 -6.529 -2.625 1.00 0.67 C ATOM 310 CG PHE A 20 66.861 -6.373 -1.125 1.00 1.04 C ATOM 311 CD1 PHE A 20 65.729 -5.810 -0.527 1.00 1.87 C ATOM 312 CD2 PHE A 20 67.936 -6.794 -0.332 1.00 1.85 C ATOM 313 CE1 PHE A 20 65.669 -5.666 0.864 1.00 2.57 C ATOM 314 CE2 PHE A 20 67.877 -6.650 1.059 1.00 2.52 C ATOM 315 CZ PHE A 20 66.744 -6.087 1.658 1.00 2.67 C ATOM 0 H PHE A 20 66.901 -8.883 -2.986 1.00 0.58 H new ATOM 0 HA PHE A 20 64.800 -7.009 -2.446 1.00 0.59 H new ATOM 0 HB2 PHE A 20 67.781 -7.145 -2.901 1.00 0.67 H new ATOM 0 HB3 PHE A 20 67.067 -5.556 -3.096 1.00 0.67 H new ATOM 0 HD1 PHE A 20 64.900 -5.486 -1.139 1.00 1.87 H new ATOM 0 HD2 PHE A 20 68.810 -7.229 -0.794 1.00 1.85 H new ATOM 0 HE1 PHE A 20 64.795 -5.231 1.325 1.00 2.57 H new ATOM 0 HE2 PHE A 20 68.706 -6.974 1.671 1.00 2.52 H new ATOM 0 HZ PHE A 20 66.698 -5.977 2.731 1.00 2.67 H new ATOM 325 N LYS A 21 65.901 -6.947 -5.529 1.00 0.53 N ATOM 326 CA LYS A 21 65.561 -6.395 -6.872 1.00 0.53 C ATOM 327 C LYS A 21 64.063 -6.546 -7.151 1.00 0.50 C ATOM 328 O LYS A 21 63.355 -5.575 -7.338 1.00 0.63 O ATOM 329 CB LYS A 21 66.374 -7.235 -7.858 1.00 0.61 C ATOM 330 CG LYS A 21 66.496 -6.485 -9.186 1.00 0.68 C ATOM 331 CD LYS A 21 67.795 -5.678 -9.199 1.00 1.26 C ATOM 332 CE LYS A 21 68.870 -6.453 -9.965 1.00 1.85 C ATOM 333 NZ LYS A 21 69.957 -5.463 -10.207 1.00 1.94 N ATOM 0 H LYS A 21 66.673 -7.614 -5.517 1.00 0.53 H new ATOM 0 HA LYS A 21 65.789 -5.332 -6.949 1.00 0.53 H new ATOM 0 HB2 LYS A 21 67.364 -7.437 -7.450 1.00 0.61 H new ATOM 0 HB3 LYS A 21 65.891 -8.199 -8.016 1.00 0.61 H new ATOM 0 HG2 LYS A 21 66.486 -7.191 -10.017 1.00 0.68 H new ATOM 0 HG3 LYS A 21 65.642 -5.821 -9.321 1.00 0.68 H new ATOM 0 HD2 LYS A 21 67.628 -4.708 -9.667 1.00 1.26 H new ATOM 0 HD3 LYS A 21 68.127 -5.487 -8.179 1.00 1.26 H new ATOM 0 HE2 LYS A 21 69.232 -7.303 -9.387 1.00 1.85 H new ATOM 0 HE3 LYS A 21 68.479 -6.848 -10.903 1.00 1.85 H new ATOM 0 HZ1 LYS A 21 70.732 -5.919 -10.729 1.00 1.94 H new ATOM 0 HZ2 LYS A 21 69.585 -4.668 -10.765 1.00 1.94 H new ATOM 0 HZ3 LYS A 21 70.314 -5.109 -9.296 1.00 1.94 H new ATOM 347 N ALA A 22 63.574 -7.755 -7.188 1.00 0.51 N ATOM 348 CA ALA A 22 62.124 -7.969 -7.462 1.00 0.60 C ATOM 349 C ALA A 22 61.265 -7.166 -6.479 1.00 0.51 C ATOM 350 O ALA A 22 60.091 -6.949 -6.704 1.00 0.50 O ATOM 351 CB ALA A 22 61.901 -9.469 -7.267 1.00 0.76 C ATOM 0 H ALA A 22 64.117 -8.606 -7.040 1.00 0.51 H new ATOM 0 HA ALA A 22 61.844 -7.640 -8.463 1.00 0.60 H new ATOM 0 HB1 ALA A 22 60.854 -9.708 -7.451 1.00 0.76 H new ATOM 0 HB2 ALA A 22 62.528 -10.024 -7.965 1.00 0.76 H new ATOM 0 HB3 ALA A 22 62.162 -9.746 -6.246 1.00 0.76 H new ATOM 357 N ALA A 23 61.836 -6.727 -5.392 1.00 0.51 N ATOM 358 CA ALA A 23 61.044 -5.944 -4.400 1.00 0.47 C ATOM 359 C ALA A 23 61.405 -4.458 -4.478 1.00 0.43 C ATOM 360 O ALA A 23 60.757 -3.621 -3.882 1.00 0.46 O ATOM 361 CB ALA A 23 61.434 -6.519 -3.039 1.00 0.58 C ATOM 0 H ALA A 23 62.815 -6.876 -5.147 1.00 0.51 H new ATOM 0 HA ALA A 23 59.972 -6.017 -4.583 1.00 0.47 H new ATOM 0 HB1 ALA A 23 60.892 -5.994 -2.253 1.00 0.58 H new ATOM 0 HB2 ALA A 23 61.183 -7.579 -3.007 1.00 0.58 H new ATOM 0 HB3 ALA A 23 62.506 -6.395 -2.885 1.00 0.58 H new ATOM 367 N PHE A 24 62.434 -4.123 -5.207 1.00 0.54 N ATOM 368 CA PHE A 24 62.831 -2.689 -5.318 1.00 0.56 C ATOM 369 C PHE A 24 62.406 -2.125 -6.677 1.00 0.56 C ATOM 370 O PHE A 24 61.908 -1.021 -6.774 1.00 0.60 O ATOM 371 CB PHE A 24 64.356 -2.688 -5.187 1.00 0.66 C ATOM 372 CG PHE A 24 64.903 -1.365 -5.670 1.00 0.60 C ATOM 373 CD1 PHE A 24 64.934 -0.263 -4.807 1.00 1.45 C ATOM 374 CD2 PHE A 24 65.375 -1.241 -6.982 1.00 1.24 C ATOM 375 CE1 PHE A 24 65.438 0.964 -5.256 1.00 1.61 C ATOM 376 CE2 PHE A 24 65.877 -0.014 -7.431 1.00 1.24 C ATOM 377 CZ PHE A 24 65.909 1.089 -6.568 1.00 0.94 C ATOM 0 H PHE A 24 63.016 -4.777 -5.730 1.00 0.54 H new ATOM 0 HA PHE A 24 62.357 -2.069 -4.557 1.00 0.56 H new ATOM 0 HB2 PHE A 24 64.642 -2.855 -4.149 1.00 0.66 H new ATOM 0 HB3 PHE A 24 64.782 -3.504 -5.770 1.00 0.66 H new ATOM 0 HD1 PHE A 24 64.569 -0.359 -3.795 1.00 1.45 H new ATOM 0 HD2 PHE A 24 65.352 -2.091 -7.647 1.00 1.24 H new ATOM 0 HE1 PHE A 24 65.463 1.814 -4.590 1.00 1.61 H new ATOM 0 HE2 PHE A 24 66.240 0.082 -8.444 1.00 1.24 H new ATOM 0 HZ PHE A 24 66.297 2.035 -6.915 1.00 0.94 H new ATOM 387 N ASP A 25 62.600 -2.875 -7.728 1.00 0.58 N ATOM 388 CA ASP A 25 62.209 -2.383 -9.081 1.00 0.64 C ATOM 389 C ASP A 25 60.690 -2.203 -9.167 1.00 0.66 C ATOM 390 O ASP A 25 60.172 -1.675 -10.130 1.00 0.76 O ATOM 391 CB ASP A 25 62.675 -3.471 -10.047 1.00 0.68 C ATOM 392 CG ASP A 25 63.564 -2.849 -11.124 1.00 1.05 C ATOM 393 OD1 ASP A 25 63.058 -2.045 -11.890 1.00 1.58 O ATOM 394 OD2 ASP A 25 64.735 -3.187 -11.166 1.00 1.78 O ATOM 0 H ASP A 25 63.013 -3.808 -7.708 1.00 0.58 H new ATOM 0 HA ASP A 25 62.654 -1.414 -9.310 1.00 0.64 H new ATOM 0 HB2 ASP A 25 63.225 -4.241 -9.506 1.00 0.68 H new ATOM 0 HB3 ASP A 25 61.815 -3.957 -10.507 1.00 0.68 H new ATOM 399 N ILE A 26 59.972 -2.643 -8.170 1.00 0.61 N ATOM 400 CA ILE A 26 58.488 -2.502 -8.198 1.00 0.67 C ATOM 401 C ILE A 26 58.073 -1.080 -7.809 1.00 0.73 C ATOM 402 O ILE A 26 56.909 -0.796 -7.614 1.00 0.99 O ATOM 403 CB ILE A 26 57.983 -3.508 -7.168 1.00 0.70 C ATOM 404 CG1 ILE A 26 58.297 -4.924 -7.660 1.00 0.66 C ATOM 405 CG2 ILE A 26 56.471 -3.345 -6.991 1.00 0.83 C ATOM 406 CD1 ILE A 26 57.536 -5.941 -6.812 1.00 0.84 C ATOM 0 H ILE A 26 60.349 -3.094 -7.337 1.00 0.61 H new ATOM 0 HA ILE A 26 58.076 -2.685 -9.190 1.00 0.67 H new ATOM 0 HB ILE A 26 58.474 -3.335 -6.210 1.00 0.70 H new ATOM 0 HG12 ILE A 26 58.016 -5.026 -8.708 1.00 0.66 H new ATOM 0 HG13 ILE A 26 59.369 -5.112 -7.597 1.00 0.66 H new ATOM 0 HG21 ILE A 26 56.111 -4.064 -6.255 1.00 0.83 H new ATOM 0 HG22 ILE A 26 56.252 -2.334 -6.648 1.00 0.83 H new ATOM 0 HG23 ILE A 26 55.972 -3.521 -7.944 1.00 0.83 H new ATOM 0 HD11 ILE A 26 57.760 -6.948 -7.163 1.00 0.84 H new ATOM 0 HD12 ILE A 26 57.839 -5.844 -5.769 1.00 0.84 H new ATOM 0 HD13 ILE A 26 56.465 -5.757 -6.897 1.00 0.84 H new ATOM 418 N PHE A 27 59.014 -0.181 -7.693 1.00 0.57 N ATOM 419 CA PHE A 27 58.661 1.217 -7.314 1.00 0.63 C ATOM 420 C PHE A 27 59.584 2.215 -8.017 1.00 0.59 C ATOM 421 O PHE A 27 59.910 3.257 -7.481 1.00 0.67 O ATOM 422 CB PHE A 27 58.861 1.274 -5.799 1.00 0.70 C ATOM 423 CG PHE A 27 57.885 0.335 -5.133 1.00 0.67 C ATOM 424 CD1 PHE A 27 56.526 0.661 -5.081 1.00 1.17 C ATOM 425 CD2 PHE A 27 58.341 -0.863 -4.569 1.00 1.44 C ATOM 426 CE1 PHE A 27 55.620 -0.210 -4.465 1.00 1.20 C ATOM 427 CE2 PHE A 27 57.435 -1.735 -3.954 1.00 1.65 C ATOM 428 CZ PHE A 27 56.074 -1.409 -3.902 1.00 1.09 C ATOM 0 H PHE A 27 60.008 -0.354 -7.844 1.00 0.57 H new ATOM 0 HA PHE A 27 57.643 1.477 -7.605 1.00 0.63 H new ATOM 0 HB2 PHE A 27 59.884 0.995 -5.545 1.00 0.70 H new ATOM 0 HB3 PHE A 27 58.709 2.291 -5.438 1.00 0.70 H new ATOM 0 HD1 PHE A 27 56.176 1.585 -5.516 1.00 1.17 H new ATOM 0 HD2 PHE A 27 59.391 -1.114 -4.609 1.00 1.44 H new ATOM 0 HE1 PHE A 27 54.571 0.043 -4.424 1.00 1.20 H new ATOM 0 HE2 PHE A 27 57.786 -2.659 -3.519 1.00 1.65 H new ATOM 0 HZ PHE A 27 55.375 -2.082 -3.428 1.00 1.09 H new ATOM 438 N VAL A 28 60.003 1.912 -9.215 1.00 0.58 N ATOM 439 CA VAL A 28 60.899 2.852 -9.949 1.00 0.59 C ATOM 440 C VAL A 28 60.087 3.685 -10.943 1.00 0.64 C ATOM 441 O VAL A 28 60.599 4.160 -11.937 1.00 0.73 O ATOM 442 CB VAL A 28 61.898 1.959 -10.683 1.00 0.60 C ATOM 443 CG1 VAL A 28 62.782 2.819 -11.587 1.00 1.41 C ATOM 444 CG2 VAL A 28 62.771 1.228 -9.663 1.00 1.37 C ATOM 0 H VAL A 28 59.765 1.057 -9.717 1.00 0.58 H new ATOM 0 HA VAL A 28 61.399 3.554 -9.281 1.00 0.59 H new ATOM 0 HB VAL A 28 61.359 1.231 -11.289 1.00 0.60 H new ATOM 0 HG11 VAL A 28 63.495 2.182 -12.111 1.00 1.41 H new ATOM 0 HG12 VAL A 28 62.160 3.342 -12.314 1.00 1.41 H new ATOM 0 HG13 VAL A 28 63.322 3.547 -10.982 1.00 1.41 H new ATOM 0 HG21 VAL A 28 63.484 0.590 -10.185 1.00 1.37 H new ATOM 0 HG22 VAL A 28 63.311 1.956 -9.058 1.00 1.37 H new ATOM 0 HG23 VAL A 28 62.141 0.615 -9.018 1.00 1.37 H new ATOM 454 N LEU A 29 58.821 3.865 -10.678 1.00 0.75 N ATOM 455 CA LEU A 29 57.965 4.668 -11.599 1.00 0.91 C ATOM 456 C LEU A 29 58.725 5.904 -12.082 1.00 1.10 C ATOM 457 O LEU A 29 58.830 6.892 -11.382 1.00 1.54 O ATOM 458 CB LEU A 29 56.759 5.077 -10.753 1.00 1.17 C ATOM 459 CG LEU A 29 57.247 5.698 -9.443 1.00 1.49 C ATOM 460 CD1 LEU A 29 56.900 7.187 -9.423 1.00 2.09 C ATOM 461 CD2 LEU A 29 56.565 5.000 -8.264 1.00 1.73 C ATOM 0 H LEU A 29 58.341 3.489 -9.860 1.00 0.75 H new ATOM 0 HA LEU A 29 57.672 4.109 -12.488 1.00 0.91 H new ATOM 0 HB2 LEU A 29 56.142 5.791 -11.299 1.00 1.17 H new ATOM 0 HB3 LEU A 29 56.134 4.208 -10.546 1.00 1.17 H new ATOM 0 HG LEU A 29 58.327 5.576 -9.364 1.00 1.49 H new ATOM 0 HD11 LEU A 29 57.248 7.629 -8.489 1.00 2.09 H new ATOM 0 HD12 LEU A 29 57.385 7.685 -10.263 1.00 2.09 H new ATOM 0 HD13 LEU A 29 55.820 7.310 -9.502 1.00 2.09 H new ATOM 0 HD21 LEU A 29 56.912 5.441 -7.330 1.00 1.73 H new ATOM 0 HD22 LEU A 29 55.485 5.122 -8.344 1.00 1.73 H new ATOM 0 HD23 LEU A 29 56.812 3.938 -8.277 1.00 1.73 H new ATOM 473 N GLY A 30 59.262 5.856 -13.270 1.00 1.47 N ATOM 474 CA GLY A 30 60.020 7.029 -13.791 1.00 1.89 C ATOM 475 C GLY A 30 61.316 7.179 -12.996 1.00 1.94 C ATOM 476 O GLY A 30 62.087 6.248 -12.868 1.00 2.46 O ATOM 0 H GLY A 30 59.209 5.057 -13.902 1.00 1.47 H new ATOM 0 HA2 GLY A 30 60.242 6.894 -14.850 1.00 1.89 H new ATOM 0 HA3 GLY A 30 59.419 7.934 -13.704 1.00 1.89 H new ATOM 480 N ALA A 31 61.564 8.340 -12.455 1.00 1.89 N ATOM 481 CA ALA A 31 62.808 8.539 -11.664 1.00 2.14 C ATOM 482 C ALA A 31 64.037 8.413 -12.568 1.00 2.28 C ATOM 483 O ALA A 31 63.977 7.837 -13.637 1.00 2.46 O ATOM 484 CB ALA A 31 62.787 7.426 -10.616 1.00 1.97 C ATOM 0 H ALA A 31 60.959 9.158 -12.527 1.00 1.89 H new ATOM 0 HA ALA A 31 62.857 9.527 -11.207 1.00 2.14 H new ATOM 0 HB1 ALA A 31 63.675 7.501 -9.988 1.00 1.97 H new ATOM 0 HB2 ALA A 31 61.895 7.525 -9.997 1.00 1.97 H new ATOM 0 HB3 ALA A 31 62.776 6.457 -11.115 1.00 1.97 H new ATOM 490 N GLU A 32 65.146 8.951 -12.144 1.00 2.73 N ATOM 491 CA GLU A 32 66.389 8.874 -12.970 1.00 2.98 C ATOM 492 C GLU A 32 66.511 7.499 -13.632 1.00 2.33 C ATOM 493 O GLU A 32 66.290 7.348 -14.816 1.00 2.34 O ATOM 494 CB GLU A 32 67.535 9.097 -11.983 1.00 3.71 C ATOM 495 CG GLU A 32 68.434 10.226 -12.489 1.00 4.48 C ATOM 496 CD GLU A 32 69.882 9.737 -12.550 1.00 5.14 C ATOM 497 OE1 GLU A 32 70.184 8.947 -13.429 1.00 5.38 O ATOM 498 OE2 GLU A 32 70.665 10.161 -11.716 1.00 5.71 O ATOM 0 H GLU A 32 65.248 9.444 -11.257 1.00 2.73 H new ATOM 0 HA GLU A 32 66.392 9.610 -13.774 1.00 2.98 H new ATOM 0 HB2 GLU A 32 67.138 9.348 -10.999 1.00 3.71 H new ATOM 0 HB3 GLU A 32 68.114 8.181 -11.869 1.00 3.71 H new ATOM 0 HG2 GLU A 32 68.107 10.551 -13.477 1.00 4.48 H new ATOM 0 HG3 GLU A 32 68.358 11.090 -11.828 1.00 4.48 H new ATOM 505 N ASP A 33 66.862 6.493 -12.876 1.00 2.13 N ATOM 506 CA ASP A 33 66.997 5.133 -13.468 1.00 2.25 C ATOM 507 C ASP A 33 67.135 4.079 -12.364 1.00 1.67 C ATOM 508 O ASP A 33 68.059 4.106 -11.577 1.00 2.00 O ATOM 509 CB ASP A 33 68.270 5.192 -14.313 1.00 3.20 C ATOM 510 CG ASP A 33 68.109 4.295 -15.543 1.00 3.87 C ATOM 511 OD1 ASP A 33 66.979 3.992 -15.887 1.00 4.16 O ATOM 512 OD2 ASP A 33 69.120 3.927 -16.118 1.00 4.49 O ATOM 0 H ASP A 33 67.060 6.555 -11.877 1.00 2.13 H new ATOM 0 HA ASP A 33 66.125 4.856 -14.060 1.00 2.25 H new ATOM 0 HB2 ASP A 33 68.467 6.219 -14.622 1.00 3.20 H new ATOM 0 HB3 ASP A 33 69.127 4.867 -13.722 1.00 3.20 H new ATOM 517 N GLY A 34 66.223 3.147 -12.310 1.00 1.10 N ATOM 518 CA GLY A 34 66.296 2.083 -11.268 1.00 1.18 C ATOM 519 C GLY A 34 66.370 2.715 -9.877 1.00 0.92 C ATOM 520 O GLY A 34 67.050 2.225 -8.998 1.00 1.03 O ATOM 0 H GLY A 34 65.428 3.076 -12.945 1.00 1.10 H new ATOM 0 HA2 GLY A 34 65.422 1.436 -11.336 1.00 1.18 H new ATOM 0 HA3 GLY A 34 67.171 1.456 -11.438 1.00 1.18 H new ATOM 524 N CYS A 35 65.672 3.795 -9.667 1.00 0.78 N ATOM 525 CA CYS A 35 65.701 4.450 -8.328 1.00 0.68 C ATOM 526 C CYS A 35 64.273 4.708 -7.842 1.00 0.69 C ATOM 527 O CYS A 35 63.386 5.004 -8.620 1.00 0.89 O ATOM 528 CB CYS A 35 66.444 5.768 -8.540 1.00 0.78 C ATOM 529 SG CYS A 35 65.631 6.715 -9.850 1.00 1.27 S ATOM 0 H CYS A 35 65.083 4.253 -10.363 1.00 0.78 H new ATOM 0 HA CYS A 35 66.189 3.831 -7.575 1.00 0.68 H new ATOM 0 HB2 CYS A 35 66.456 6.344 -7.615 1.00 0.78 H new ATOM 0 HB3 CYS A 35 67.482 5.573 -8.808 1.00 0.78 H new ATOM 0 HG CYS A 35 65.245 7.864 -9.379 1.00 1.27 H new ATOM 535 N ILE A 36 64.039 4.596 -6.563 1.00 0.57 N ATOM 536 CA ILE A 36 62.666 4.832 -6.032 1.00 0.57 C ATOM 537 C ILE A 36 62.654 6.058 -5.115 1.00 0.50 C ATOM 538 O ILE A 36 63.684 6.523 -4.670 1.00 0.60 O ATOM 539 CB ILE A 36 62.325 3.568 -5.244 1.00 0.63 C ATOM 540 CG1 ILE A 36 63.271 3.443 -4.049 1.00 0.60 C ATOM 541 CG2 ILE A 36 62.481 2.344 -6.148 1.00 0.72 C ATOM 542 CD1 ILE A 36 62.906 2.199 -3.236 1.00 0.75 C ATOM 0 H ILE A 36 64.739 4.351 -5.863 1.00 0.57 H new ATOM 0 HA ILE A 36 61.944 5.025 -6.826 1.00 0.57 H new ATOM 0 HB ILE A 36 61.296 3.628 -4.889 1.00 0.63 H new ATOM 0 HG12 ILE A 36 64.303 3.375 -4.394 1.00 0.60 H new ATOM 0 HG13 ILE A 36 63.202 4.333 -3.423 1.00 0.60 H new ATOM 0 HG21 ILE A 36 62.238 1.443 -5.585 1.00 0.72 H new ATOM 0 HG22 ILE A 36 61.807 2.433 -7.000 1.00 0.72 H new ATOM 0 HG23 ILE A 36 63.510 2.283 -6.504 1.00 0.72 H new ATOM 0 HD11 ILE A 36 63.580 2.110 -2.384 1.00 0.75 H new ATOM 0 HD12 ILE A 36 61.880 2.286 -2.879 1.00 0.75 H new ATOM 0 HD13 ILE A 36 62.997 1.314 -3.865 1.00 0.75 H new ATOM 554 N SER A 37 61.493 6.583 -4.828 1.00 0.54 N ATOM 555 CA SER A 37 61.416 7.776 -3.939 1.00 0.50 C ATOM 556 C SER A 37 61.568 7.352 -2.475 1.00 0.48 C ATOM 557 O SER A 37 61.380 6.202 -2.130 1.00 0.60 O ATOM 558 CB SER A 37 60.027 8.365 -4.184 1.00 0.55 C ATOM 559 OG SER A 37 59.988 9.697 -3.689 1.00 1.02 O ATOM 0 H SER A 37 60.597 6.237 -5.170 1.00 0.54 H new ATOM 0 HA SER A 37 62.206 8.498 -4.146 1.00 0.50 H new ATOM 0 HB2 SER A 37 59.797 8.354 -5.249 1.00 0.55 H new ATOM 0 HB3 SER A 37 59.269 7.758 -3.688 1.00 0.55 H new ATOM 0 HG SER A 37 59.248 10.181 -4.111 1.00 1.02 H new ATOM 565 N THR A 38 61.905 8.271 -1.612 1.00 0.48 N ATOM 566 CA THR A 38 62.068 7.917 -0.173 1.00 0.53 C ATOM 567 C THR A 38 60.766 7.326 0.376 1.00 0.53 C ATOM 568 O THR A 38 60.774 6.525 1.290 1.00 0.59 O ATOM 569 CB THR A 38 62.394 9.239 0.524 1.00 0.64 C ATOM 570 OG1 THR A 38 61.234 10.060 0.543 1.00 0.62 O ATOM 571 CG2 THR A 38 63.515 9.954 -0.231 1.00 0.85 C ATOM 0 H THR A 38 62.074 9.251 -1.840 1.00 0.48 H new ATOM 0 HA THR A 38 62.846 7.170 -0.015 1.00 0.53 H new ATOM 0 HB THR A 38 62.717 9.041 1.546 1.00 0.64 H new ATOM 0 HG1 THR A 38 61.440 10.907 0.991 1.00 0.62 H new ATOM 0 HG21 THR A 38 63.746 10.896 0.267 1.00 0.85 H new ATOM 0 HG22 THR A 38 64.404 9.323 -0.245 1.00 0.85 H new ATOM 0 HG23 THR A 38 63.195 10.153 -1.254 1.00 0.85 H new ATOM 579 N LYS A 39 59.648 7.716 -0.173 1.00 0.60 N ATOM 580 CA LYS A 39 58.347 7.175 0.320 1.00 0.73 C ATOM 581 C LYS A 39 58.144 5.743 -0.179 1.00 0.66 C ATOM 582 O LYS A 39 57.199 5.074 0.189 1.00 0.87 O ATOM 583 CB LYS A 39 57.283 8.105 -0.268 1.00 0.90 C ATOM 584 CG LYS A 39 57.142 7.836 -1.768 1.00 1.78 C ATOM 585 CD LYS A 39 56.037 8.724 -2.344 1.00 2.12 C ATOM 586 CE LYS A 39 56.665 9.944 -3.023 1.00 2.70 C ATOM 587 NZ LYS A 39 55.596 10.981 -3.017 1.00 2.96 N ATOM 0 H LYS A 39 59.578 8.385 -0.940 1.00 0.60 H new ATOM 0 HA LYS A 39 58.301 7.139 1.408 1.00 0.73 H new ATOM 0 HB2 LYS A 39 56.328 7.945 0.232 1.00 0.90 H new ATOM 0 HB3 LYS A 39 57.561 9.145 -0.099 1.00 0.90 H new ATOM 0 HG2 LYS A 39 58.086 8.037 -2.275 1.00 1.78 H new ATOM 0 HG3 LYS A 39 56.906 6.786 -1.939 1.00 1.78 H new ATOM 0 HD2 LYS A 39 55.441 8.161 -3.062 1.00 2.12 H new ATOM 0 HD3 LYS A 39 55.362 9.044 -1.550 1.00 2.12 H new ATOM 0 HE2 LYS A 39 57.549 10.285 -2.483 1.00 2.70 H new ATOM 0 HE3 LYS A 39 56.983 9.710 -4.039 1.00 2.70 H new ATOM 0 HZ1 LYS A 39 55.952 11.849 -3.467 1.00 2.96 H new ATOM 0 HZ2 LYS A 39 54.770 10.631 -3.544 1.00 2.96 H new ATOM 0 HZ3 LYS A 39 55.319 11.188 -2.036 1.00 2.96 H new ATOM 601 N GLU A 40 59.024 5.266 -1.017 1.00 0.52 N ATOM 602 CA GLU A 40 58.878 3.876 -1.539 1.00 0.56 C ATOM 603 C GLU A 40 59.744 2.912 -0.724 1.00 0.52 C ATOM 604 O GLU A 40 59.444 1.741 -0.606 1.00 0.59 O ATOM 605 CB GLU A 40 59.365 3.945 -2.987 1.00 0.71 C ATOM 606 CG GLU A 40 58.590 5.030 -3.737 1.00 1.06 C ATOM 607 CD GLU A 40 57.151 4.565 -3.964 1.00 1.41 C ATOM 608 OE1 GLU A 40 56.912 3.372 -3.871 1.00 1.60 O ATOM 609 OE2 GLU A 40 56.310 5.409 -4.227 1.00 2.23 O ATOM 0 H GLU A 40 59.836 5.777 -1.362 1.00 0.52 H new ATOM 0 HA GLU A 40 57.852 3.513 -1.472 1.00 0.56 H new ATOM 0 HB2 GLU A 40 60.433 4.163 -3.012 1.00 0.71 H new ATOM 0 HB3 GLU A 40 59.225 2.980 -3.475 1.00 0.71 H new ATOM 0 HG2 GLU A 40 58.598 5.958 -3.165 1.00 1.06 H new ATOM 0 HG3 GLU A 40 59.070 5.240 -4.693 1.00 1.06 H new ATOM 616 N LEU A 41 60.818 3.394 -0.161 1.00 0.51 N ATOM 617 CA LEU A 41 61.702 2.505 0.647 1.00 0.54 C ATOM 618 C LEU A 41 60.962 2.016 1.895 1.00 0.56 C ATOM 619 O LEU A 41 61.221 0.942 2.401 1.00 0.70 O ATOM 620 CB LEU A 41 62.893 3.380 1.040 1.00 0.62 C ATOM 621 CG LEU A 41 64.195 2.615 0.796 1.00 0.64 C ATOM 622 CD1 LEU A 41 65.351 3.344 1.483 1.00 1.18 C ATOM 623 CD2 LEU A 41 64.075 1.202 1.370 1.00 1.40 C ATOM 0 H LEU A 41 61.122 4.365 -0.225 1.00 0.51 H new ATOM 0 HA LEU A 41 62.012 1.619 0.093 1.00 0.54 H new ATOM 0 HB2 LEU A 41 62.887 4.302 0.459 1.00 0.62 H new ATOM 0 HB3 LEU A 41 62.818 3.664 2.090 1.00 0.62 H new ATOM 0 HG LEU A 41 64.384 2.557 -0.276 1.00 0.64 H new ATOM 0 HD11 LEU A 41 66.279 2.799 1.309 1.00 1.18 H new ATOM 0 HD12 LEU A 41 65.440 4.351 1.075 1.00 1.18 H new ATOM 0 HD13 LEU A 41 65.159 3.402 2.554 1.00 1.18 H new ATOM 0 HD21 LEU A 41 65.003 0.658 1.195 1.00 1.40 H new ATOM 0 HD22 LEU A 41 63.884 1.260 2.442 1.00 1.40 H new ATOM 0 HD23 LEU A 41 63.252 0.680 0.883 1.00 1.40 H new ATOM 635 N GLY A 42 60.046 2.797 2.396 1.00 0.57 N ATOM 636 CA GLY A 42 59.292 2.379 3.611 1.00 0.60 C ATOM 637 C GLY A 42 58.548 1.072 3.330 1.00 0.55 C ATOM 638 O GLY A 42 58.936 0.016 3.791 1.00 0.57 O ATOM 0 H GLY A 42 59.787 3.707 2.016 1.00 0.57 H new ATOM 0 HA2 GLY A 42 59.977 2.246 4.448 1.00 0.60 H new ATOM 0 HA3 GLY A 42 58.585 3.157 3.898 1.00 0.60 H new ATOM 642 N LYS A 43 57.483 1.135 2.580 1.00 0.57 N ATOM 643 CA LYS A 43 56.715 -0.106 2.271 1.00 0.58 C ATOM 644 C LYS A 43 57.659 -1.209 1.788 1.00 0.56 C ATOM 645 O LYS A 43 57.414 -2.381 1.988 1.00 0.60 O ATOM 646 CB LYS A 43 55.743 0.295 1.162 1.00 0.65 C ATOM 647 CG LYS A 43 56.525 0.613 -0.114 1.00 0.99 C ATOM 648 CD LYS A 43 55.628 1.382 -1.085 1.00 1.28 C ATOM 649 CE LYS A 43 54.278 0.669 -1.209 1.00 1.53 C ATOM 650 NZ LYS A 43 53.446 1.221 -0.103 1.00 1.86 N ATOM 0 H LYS A 43 57.111 1.990 2.168 1.00 0.57 H new ATOM 0 HA LYS A 43 56.195 -0.497 3.146 1.00 0.58 H new ATOM 0 HB2 LYS A 43 55.035 -0.512 0.975 1.00 0.65 H new ATOM 0 HB3 LYS A 43 55.161 1.164 1.471 1.00 0.65 H new ATOM 0 HG2 LYS A 43 57.409 1.204 0.126 1.00 0.99 H new ATOM 0 HG3 LYS A 43 56.875 -0.309 -0.578 1.00 0.99 H new ATOM 0 HD2 LYS A 43 55.481 2.402 -0.730 1.00 1.28 H new ATOM 0 HD3 LYS A 43 56.106 1.450 -2.062 1.00 1.28 H new ATOM 0 HE2 LYS A 43 53.820 0.858 -2.180 1.00 1.53 H new ATOM 0 HE3 LYS A 43 54.392 -0.411 -1.116 1.00 1.53 H new ATOM 0 HZ1 LYS A 43 53.368 0.516 0.658 1.00 1.86 H new ATOM 0 HZ2 LYS A 43 53.891 2.084 0.269 1.00 1.86 H new ATOM 0 HZ3 LYS A 43 52.497 1.448 -0.463 1.00 1.86 H new ATOM 664 N VAL A 44 58.739 -0.843 1.152 1.00 0.54 N ATOM 665 CA VAL A 44 59.698 -1.873 0.660 1.00 0.56 C ATOM 666 C VAL A 44 60.506 -2.438 1.832 1.00 0.59 C ATOM 667 O VAL A 44 60.856 -3.601 1.854 1.00 0.57 O ATOM 668 CB VAL A 44 60.608 -1.126 -0.317 1.00 0.59 C ATOM 669 CG1 VAL A 44 61.895 -1.923 -0.538 1.00 1.36 C ATOM 670 CG2 VAL A 44 59.884 -0.955 -1.654 1.00 1.36 C ATOM 0 H VAL A 44 58.998 0.123 0.952 1.00 0.54 H new ATOM 0 HA VAL A 44 59.199 -2.717 0.184 1.00 0.56 H new ATOM 0 HB VAL A 44 60.855 -0.148 0.097 1.00 0.59 H new ATOM 0 HG11 VAL A 44 62.540 -1.387 -1.234 1.00 1.36 H new ATOM 0 HG12 VAL A 44 62.413 -2.049 0.413 1.00 1.36 H new ATOM 0 HG13 VAL A 44 61.650 -2.902 -0.950 1.00 1.36 H new ATOM 0 HG21 VAL A 44 60.530 -0.423 -2.352 1.00 1.36 H new ATOM 0 HG22 VAL A 44 59.638 -1.935 -2.062 1.00 1.36 H new ATOM 0 HG23 VAL A 44 58.968 -0.385 -1.501 1.00 1.36 H new ATOM 680 N MET A 45 60.805 -1.623 2.807 1.00 0.74 N ATOM 681 CA MET A 45 61.589 -2.114 3.976 1.00 0.84 C ATOM 682 C MET A 45 60.827 -3.232 4.694 1.00 0.86 C ATOM 683 O MET A 45 61.392 -4.242 5.063 1.00 0.89 O ATOM 684 CB MET A 45 61.744 -0.897 4.890 1.00 0.96 C ATOM 685 CG MET A 45 63.117 -0.260 4.664 1.00 1.12 C ATOM 686 SD MET A 45 64.091 -0.370 6.186 1.00 1.48 S ATOM 687 CE MET A 45 65.669 0.171 5.486 1.00 0.73 C ATOM 0 H MET A 45 60.540 -0.639 2.845 1.00 0.74 H new ATOM 0 HA MET A 45 62.554 -2.527 3.681 1.00 0.84 H new ATOM 0 HB2 MET A 45 60.957 -0.172 4.684 1.00 0.96 H new ATOM 0 HB3 MET A 45 61.637 -1.196 5.933 1.00 0.96 H new ATOM 0 HG2 MET A 45 63.636 -0.767 3.850 1.00 1.12 H new ATOM 0 HG3 MET A 45 63.002 0.783 4.368 1.00 1.12 H new ATOM 0 HE1 MET A 45 66.445 -0.551 5.738 1.00 0.73 H new ATOM 0 HE2 MET A 45 65.580 0.245 4.402 1.00 0.73 H new ATOM 0 HE3 MET A 45 65.934 1.146 5.896 1.00 0.73 H new ATOM 697 N ARG A 46 59.548 -3.059 4.895 1.00 0.94 N ATOM 698 CA ARG A 46 58.757 -4.117 5.588 1.00 1.04 C ATOM 699 C ARG A 46 58.460 -5.268 4.624 1.00 1.00 C ATOM 700 O ARG A 46 58.226 -6.389 5.030 1.00 1.04 O ATOM 701 CB ARG A 46 57.462 -3.423 6.024 1.00 1.21 C ATOM 702 CG ARG A 46 56.522 -3.276 4.825 1.00 1.04 C ATOM 703 CD ARG A 46 55.589 -2.084 5.048 1.00 1.77 C ATOM 704 NE ARG A 46 54.914 -2.360 6.346 1.00 2.29 N ATOM 705 CZ ARG A 46 54.484 -1.371 7.080 1.00 2.76 C ATOM 706 NH1 ARG A 46 55.285 -0.795 7.933 1.00 3.10 N ATOM 707 NH2 ARG A 46 53.252 -0.958 6.960 1.00 3.45 N ATOM 0 H ARG A 46 59.019 -2.235 4.611 1.00 0.94 H new ATOM 0 HA ARG A 46 59.290 -4.546 6.436 1.00 1.04 H new ATOM 0 HB2 ARG A 46 56.976 -4.001 6.810 1.00 1.21 H new ATOM 0 HB3 ARG A 46 57.688 -2.442 6.443 1.00 1.21 H new ATOM 0 HG2 ARG A 46 57.100 -3.133 3.912 1.00 1.04 H new ATOM 0 HG3 ARG A 46 55.939 -4.187 4.693 1.00 1.04 H new ATOM 0 HD2 ARG A 46 56.146 -1.148 5.084 1.00 1.77 H new ATOM 0 HD3 ARG A 46 54.865 -1.993 4.238 1.00 1.77 H new ATOM 0 HE ARG A 46 54.788 -3.322 6.661 1.00 2.29 H new ATOM 0 HH11 ARG A 46 56.248 -1.118 8.026 1.00 3.10 H new ATOM 0 HH12 ARG A 46 54.948 -0.022 8.507 1.00 3.10 H new ATOM 0 HH21 ARG A 46 52.626 -1.408 6.293 1.00 3.45 H new ATOM 0 HH22 ARG A 46 52.915 -0.185 7.534 1.00 3.45 H new ATOM 721 N MET A 47 58.467 -4.998 3.347 1.00 0.98 N ATOM 722 CA MET A 47 58.186 -6.072 2.353 1.00 1.04 C ATOM 723 C MET A 47 59.138 -7.253 2.564 1.00 0.99 C ATOM 724 O MET A 47 58.898 -8.346 2.093 1.00 1.07 O ATOM 725 CB MET A 47 58.431 -5.423 0.991 1.00 1.19 C ATOM 726 CG MET A 47 57.126 -5.402 0.194 1.00 1.37 C ATOM 727 SD MET A 47 57.377 -4.490 -1.350 1.00 1.89 S ATOM 728 CE MET A 47 58.357 -5.751 -2.201 1.00 1.30 C ATOM 0 H MET A 47 58.656 -4.078 2.949 1.00 0.98 H new ATOM 0 HA MET A 47 57.172 -6.463 2.443 1.00 1.04 H new ATOM 0 HB2 MET A 47 58.806 -4.408 1.122 1.00 1.19 H new ATOM 0 HB3 MET A 47 59.194 -5.977 0.444 1.00 1.19 H new ATOM 0 HG2 MET A 47 56.802 -6.420 -0.021 1.00 1.37 H new ATOM 0 HG3 MET A 47 56.336 -4.934 0.781 1.00 1.37 H new ATOM 0 HE1 MET A 47 59.108 -5.268 -2.826 1.00 1.30 H new ATOM 0 HE2 MET A 47 58.851 -6.386 -1.465 1.00 1.30 H new ATOM 0 HE3 MET A 47 57.703 -6.360 -2.825 1.00 1.30 H new ATOM 738 N LEU A 48 60.216 -7.040 3.265 1.00 0.93 N ATOM 739 CA LEU A 48 61.181 -8.153 3.500 1.00 0.98 C ATOM 740 C LEU A 48 61.256 -8.486 4.994 1.00 1.32 C ATOM 741 O LEU A 48 61.820 -9.487 5.388 1.00 1.80 O ATOM 742 CB LEU A 48 62.525 -7.626 2.998 1.00 1.21 C ATOM 743 CG LEU A 48 62.800 -8.186 1.602 1.00 1.28 C ATOM 744 CD1 LEU A 48 62.798 -7.045 0.583 1.00 2.11 C ATOM 745 CD2 LEU A 48 64.166 -8.876 1.590 1.00 1.86 C ATOM 0 H LEU A 48 60.471 -6.146 3.685 1.00 0.93 H new ATOM 0 HA LEU A 48 60.886 -9.069 2.988 1.00 0.98 H new ATOM 0 HB2 LEU A 48 62.513 -6.536 2.969 1.00 1.21 H new ATOM 0 HB3 LEU A 48 63.321 -7.918 3.683 1.00 1.21 H new ATOM 0 HG LEU A 48 62.025 -8.907 1.342 1.00 1.28 H new ATOM 0 HD11 LEU A 48 62.994 -7.445 -0.412 1.00 2.11 H new ATOM 0 HD12 LEU A 48 61.826 -6.552 0.591 1.00 2.11 H new ATOM 0 HD13 LEU A 48 63.573 -6.324 0.843 1.00 2.11 H new ATOM 0 HD21 LEU A 48 64.363 -9.276 0.595 1.00 1.86 H new ATOM 0 HD22 LEU A 48 64.940 -8.155 1.851 1.00 1.86 H new ATOM 0 HD23 LEU A 48 64.169 -9.690 2.315 1.00 1.86 H new ATOM 757 N GLY A 49 60.690 -7.657 5.828 1.00 1.36 N ATOM 758 CA GLY A 49 60.730 -7.933 7.292 1.00 1.95 C ATOM 759 C GLY A 49 61.130 -6.664 8.046 1.00 1.43 C ATOM 760 O GLY A 49 60.315 -6.023 8.678 1.00 1.92 O ATOM 0 H GLY A 49 60.203 -6.802 5.560 1.00 1.36 H new ATOM 0 HA2 GLY A 49 59.754 -8.278 7.633 1.00 1.95 H new ATOM 0 HA3 GLY A 49 61.442 -8.732 7.502 1.00 1.95 H new ATOM 764 N GLN A 50 62.382 -6.298 7.987 1.00 1.21 N ATOM 765 CA GLN A 50 62.835 -5.070 8.703 1.00 1.01 C ATOM 766 C GLN A 50 61.813 -3.944 8.521 1.00 1.02 C ATOM 767 O GLN A 50 61.457 -3.590 7.415 1.00 1.23 O ATOM 768 CB GLN A 50 64.165 -4.697 8.047 1.00 1.43 C ATOM 769 CG GLN A 50 65.245 -5.689 8.482 1.00 1.58 C ATOM 770 CD GLN A 50 65.646 -6.562 7.292 1.00 2.45 C ATOM 771 OE1 GLN A 50 65.509 -6.158 6.154 1.00 3.08 O ATOM 772 NE2 GLN A 50 66.137 -7.751 7.506 1.00 3.14 N ATOM 0 H GLN A 50 63.110 -6.795 7.475 1.00 1.21 H new ATOM 0 HA GLN A 50 62.941 -5.233 9.776 1.00 1.01 H new ATOM 0 HB2 GLN A 50 64.063 -4.707 6.962 1.00 1.43 H new ATOM 0 HB3 GLN A 50 64.451 -3.684 8.331 1.00 1.43 H new ATOM 0 HG2 GLN A 50 66.114 -5.153 8.862 1.00 1.58 H new ATOM 0 HG3 GLN A 50 64.874 -6.313 9.295 1.00 1.58 H new ATOM 0 HE21 GLN A 50 66.252 -8.091 8.461 1.00 3.14 H new ATOM 0 HE22 GLN A 50 66.406 -8.341 6.719 1.00 3.14 H new ATOM 781 N ASN A 51 61.336 -3.384 9.598 1.00 0.98 N ATOM 782 CA ASN A 51 60.334 -2.284 9.483 1.00 1.08 C ATOM 783 C ASN A 51 60.647 -1.172 10.489 1.00 0.93 C ATOM 784 O ASN A 51 59.996 -1.056 11.508 1.00 1.15 O ATOM 785 CB ASN A 51 58.992 -2.939 9.812 1.00 1.52 C ATOM 786 CG ASN A 51 59.123 -3.751 11.101 1.00 1.82 C ATOM 787 OD1 ASN A 51 58.803 -3.199 12.241 1.00 2.25 O flip ATOM 788 ND2 ASN A 51 59.520 -4.899 11.073 1.00 2.47 N flip ATOM 0 H ASN A 51 61.595 -3.639 10.551 1.00 0.98 H new ATOM 0 HA ASN A 51 60.336 -1.826 8.494 1.00 1.08 H new ATOM 0 HB2 ASN A 51 58.222 -2.177 9.927 1.00 1.52 H new ATOM 0 HB3 ASN A 51 58.680 -3.586 8.992 1.00 1.52 H new ATOM 0 HD21 ASN A 51 59.770 -5.331 10.183 1.00 2.47 H new ATOM 0 HD22 ASN A 51 59.603 -5.431 11.939 1.00 2.47 H new ATOM 795 N PRO A 52 61.635 -0.386 10.161 1.00 0.72 N ATOM 796 CA PRO A 52 62.038 0.736 11.044 1.00 0.80 C ATOM 797 C PRO A 52 61.003 1.864 10.976 1.00 0.80 C ATOM 798 O PRO A 52 59.871 1.656 10.583 1.00 0.80 O ATOM 799 CB PRO A 52 63.374 1.188 10.460 1.00 0.85 C ATOM 800 CG PRO A 52 63.333 0.763 9.026 1.00 0.79 C ATOM 801 CD PRO A 52 62.461 -0.465 8.953 1.00 0.71 C ATOM 0 HA PRO A 52 62.112 0.453 12.094 1.00 0.80 H new ATOM 0 HB2 PRO A 52 63.499 2.267 10.548 1.00 0.85 H new ATOM 0 HB3 PRO A 52 64.211 0.727 10.985 1.00 0.85 H new ATOM 0 HG2 PRO A 52 62.931 1.559 8.400 1.00 0.79 H new ATOM 0 HG3 PRO A 52 64.336 0.545 8.660 1.00 0.79 H new ATOM 0 HD2 PRO A 52 61.849 -0.467 8.051 1.00 0.71 H new ATOM 0 HD3 PRO A 52 63.057 -1.377 8.936 1.00 0.71 H new ATOM 809 N THR A 53 61.380 3.054 11.352 1.00 0.87 N ATOM 810 CA THR A 53 60.415 4.190 11.305 1.00 0.92 C ATOM 811 C THR A 53 60.905 5.256 10.321 1.00 0.82 C ATOM 812 O THR A 53 62.028 5.204 9.858 1.00 0.76 O ATOM 813 CB THR A 53 60.387 4.749 12.728 1.00 1.08 C ATOM 814 OG1 THR A 53 61.583 4.382 13.403 1.00 1.26 O ATOM 815 CG2 THR A 53 59.181 4.183 13.479 1.00 1.54 C ATOM 0 H THR A 53 62.313 3.290 11.690 1.00 0.87 H new ATOM 0 HA THR A 53 59.425 3.877 10.972 1.00 0.92 H new ATOM 0 HB THR A 53 60.309 5.836 12.689 1.00 1.08 H new ATOM 0 HG1 THR A 53 61.567 4.741 14.315 1.00 1.26 H new ATOM 0 HG21 THR A 53 59.163 4.583 14.493 1.00 1.54 H new ATOM 0 HG22 THR A 53 58.264 4.466 12.961 1.00 1.54 H new ATOM 0 HG23 THR A 53 59.254 3.096 13.519 1.00 1.54 H new ATOM 823 N PRO A 54 60.041 6.191 10.038 1.00 0.82 N ATOM 824 CA PRO A 54 60.385 7.287 9.100 1.00 0.75 C ATOM 825 C PRO A 54 61.361 8.266 9.758 1.00 0.73 C ATOM 826 O PRO A 54 62.322 8.701 9.154 1.00 0.69 O ATOM 827 CB PRO A 54 59.042 7.957 8.824 1.00 0.83 C ATOM 828 CG PRO A 54 58.198 7.638 10.017 1.00 0.94 C ATOM 829 CD PRO A 54 58.675 6.316 10.559 1.00 0.93 C ATOM 0 HA PRO A 54 60.874 6.937 8.191 1.00 0.75 H new ATOM 0 HB2 PRO A 54 59.157 9.034 8.698 1.00 0.83 H new ATOM 0 HB3 PRO A 54 58.591 7.575 7.908 1.00 0.83 H new ATOM 0 HG2 PRO A 54 58.289 8.419 10.772 1.00 0.94 H new ATOM 0 HG3 PRO A 54 57.145 7.583 9.740 1.00 0.94 H new ATOM 0 HD2 PRO A 54 58.661 6.303 11.649 1.00 0.93 H new ATOM 0 HD3 PRO A 54 58.042 5.495 10.222 1.00 0.93 H new ATOM 837 N GLU A 55 61.123 8.615 10.993 1.00 0.85 N ATOM 838 CA GLU A 55 62.038 9.565 11.690 1.00 0.87 C ATOM 839 C GLU A 55 63.497 9.196 11.406 1.00 0.84 C ATOM 840 O GLU A 55 64.328 10.049 11.169 1.00 0.82 O ATOM 841 CB GLU A 55 61.723 9.402 13.178 1.00 1.02 C ATOM 842 CG GLU A 55 62.358 10.550 13.964 1.00 1.48 C ATOM 843 CD GLU A 55 61.623 11.854 13.648 1.00 2.02 C ATOM 844 OE1 GLU A 55 60.445 11.937 13.957 1.00 2.53 O ATOM 845 OE2 GLU A 55 62.249 12.746 13.101 1.00 2.57 O ATOM 0 H GLU A 55 60.335 8.284 11.550 1.00 0.85 H new ATOM 0 HA GLU A 55 61.899 10.593 11.356 1.00 0.87 H new ATOM 0 HB2 GLU A 55 60.644 9.394 13.333 1.00 1.02 H new ATOM 0 HB3 GLU A 55 62.104 8.446 13.538 1.00 1.02 H new ATOM 0 HG2 GLU A 55 62.310 10.343 15.033 1.00 1.48 H new ATOM 0 HG3 GLU A 55 63.413 10.643 13.705 1.00 1.48 H new ATOM 852 N GLU A 56 63.813 7.929 11.428 1.00 0.88 N ATOM 853 CA GLU A 56 65.216 7.506 11.158 1.00 0.91 C ATOM 854 C GLU A 56 65.491 7.523 9.652 1.00 0.80 C ATOM 855 O GLU A 56 66.599 7.765 9.215 1.00 0.81 O ATOM 856 CB GLU A 56 65.314 6.082 11.705 1.00 1.00 C ATOM 857 CG GLU A 56 66.151 6.081 12.985 1.00 1.44 C ATOM 858 CD GLU A 56 66.532 4.645 13.348 1.00 1.39 C ATOM 859 OE1 GLU A 56 66.130 3.745 12.627 1.00 1.79 O ATOM 860 OE2 GLU A 56 67.219 4.468 14.340 1.00 2.00 O ATOM 0 H GLU A 56 63.160 7.170 11.621 1.00 0.88 H new ATOM 0 HA GLU A 56 65.945 8.171 11.622 1.00 0.91 H new ATOM 0 HB2 GLU A 56 64.317 5.691 11.910 1.00 1.00 H new ATOM 0 HB3 GLU A 56 65.767 5.426 10.961 1.00 1.00 H new ATOM 0 HG2 GLU A 56 67.050 6.682 12.844 1.00 1.44 H new ATOM 0 HG3 GLU A 56 65.588 6.536 13.800 1.00 1.44 H new ATOM 867 N LEU A 57 64.489 7.271 8.855 1.00 0.75 N ATOM 868 CA LEU A 57 64.692 7.275 7.378 1.00 0.70 C ATOM 869 C LEU A 57 65.175 8.653 6.918 1.00 0.67 C ATOM 870 O LEU A 57 66.297 8.813 6.483 1.00 0.71 O ATOM 871 CB LEU A 57 63.317 6.963 6.788 1.00 0.69 C ATOM 872 CG LEU A 57 63.339 5.574 6.150 1.00 1.00 C ATOM 873 CD1 LEU A 57 62.646 4.574 7.077 1.00 1.51 C ATOM 874 CD2 LEU A 57 62.602 5.618 4.809 1.00 1.41 C ATOM 0 H LEU A 57 63.539 7.063 9.162 1.00 0.75 H new ATOM 0 HA LEU A 57 65.443 6.552 7.061 1.00 0.70 H new ATOM 0 HB2 LEU A 57 62.557 7.004 7.568 1.00 0.69 H new ATOM 0 HB3 LEU A 57 63.051 7.713 6.043 1.00 0.69 H new ATOM 0 HG LEU A 57 64.372 5.265 5.990 1.00 1.00 H new ATOM 0 HD11 LEU A 57 62.662 3.584 6.621 1.00 1.51 H new ATOM 0 HD12 LEU A 57 63.168 4.542 8.033 1.00 1.51 H new ATOM 0 HD13 LEU A 57 61.613 4.883 7.238 1.00 1.51 H new ATOM 0 HD21 LEU A 57 62.617 4.628 4.353 1.00 1.41 H new ATOM 0 HD22 LEU A 57 61.569 5.927 4.971 1.00 1.41 H new ATOM 0 HD23 LEU A 57 63.094 6.330 4.147 1.00 1.41 H new ATOM 886 N GLN A 58 64.337 9.648 7.014 1.00 0.68 N ATOM 887 CA GLN A 58 64.751 11.014 6.584 1.00 0.72 C ATOM 888 C GLN A 58 66.086 11.387 7.234 1.00 0.71 C ATOM 889 O GLN A 58 66.881 12.114 6.673 1.00 0.79 O ATOM 890 CB GLN A 58 63.637 11.939 7.076 1.00 0.79 C ATOM 891 CG GLN A 58 62.569 12.074 5.988 1.00 1.09 C ATOM 892 CD GLN A 58 62.594 13.494 5.419 1.00 1.67 C ATOM 893 OE1 GLN A 58 62.886 14.439 6.126 1.00 2.37 O ATOM 894 NE2 GLN A 58 62.299 13.684 4.163 1.00 2.20 N ATOM 0 H GLN A 58 63.384 9.575 7.371 1.00 0.68 H new ATOM 0 HA GLN A 58 64.891 11.085 5.505 1.00 0.72 H new ATOM 0 HB2 GLN A 58 63.194 11.539 7.988 1.00 0.79 H new ATOM 0 HB3 GLN A 58 64.046 12.919 7.323 1.00 0.79 H new ATOM 0 HG2 GLN A 58 62.751 11.350 5.194 1.00 1.09 H new ATOM 0 HG3 GLN A 58 61.585 11.854 6.401 1.00 1.09 H new ATOM 0 HE21 GLN A 58 62.054 12.890 3.571 1.00 2.20 H new ATOM 0 HE22 GLN A 58 62.313 14.626 3.773 1.00 2.20 H new ATOM 903 N GLU A 59 66.338 10.890 8.415 1.00 0.70 N ATOM 904 CA GLU A 59 67.622 11.213 9.103 1.00 0.72 C ATOM 905 C GLU A 59 68.793 10.546 8.375 1.00 0.73 C ATOM 906 O GLU A 59 69.945 10.834 8.639 1.00 0.75 O ATOM 907 CB GLU A 59 67.470 10.639 10.512 1.00 0.75 C ATOM 908 CG GLU A 59 68.619 11.131 11.392 1.00 1.37 C ATOM 909 CD GLU A 59 68.726 12.654 11.292 1.00 1.66 C ATOM 910 OE1 GLU A 59 67.968 13.327 11.971 1.00 2.02 O ATOM 911 OE2 GLU A 59 69.563 13.121 10.538 1.00 2.42 O ATOM 0 H GLU A 59 65.711 10.275 8.933 1.00 0.70 H new ATOM 0 HA GLU A 59 67.826 12.284 9.119 1.00 0.72 H new ATOM 0 HB2 GLU A 59 66.515 10.944 10.939 1.00 0.75 H new ATOM 0 HB3 GLU A 59 67.468 9.550 10.474 1.00 0.75 H new ATOM 0 HG2 GLU A 59 68.450 10.835 12.427 1.00 1.37 H new ATOM 0 HG3 GLU A 59 69.555 10.669 11.078 1.00 1.37 H new ATOM 918 N MET A 60 68.510 9.660 7.460 1.00 0.79 N ATOM 919 CA MET A 60 69.606 8.977 6.716 1.00 0.84 C ATOM 920 C MET A 60 69.578 9.388 5.241 1.00 0.82 C ATOM 921 O MET A 60 70.604 9.520 4.603 1.00 0.96 O ATOM 922 CB MET A 60 69.314 7.483 6.861 1.00 0.93 C ATOM 923 CG MET A 60 69.614 7.038 8.294 1.00 1.27 C ATOM 924 SD MET A 60 69.756 5.235 8.349 1.00 1.65 S ATOM 925 CE MET A 60 68.067 4.858 7.821 1.00 0.97 C ATOM 0 H MET A 60 67.566 9.379 7.195 1.00 0.79 H new ATOM 0 HA MET A 60 70.592 9.238 7.101 1.00 0.84 H new ATOM 0 HB2 MET A 60 68.271 7.281 6.618 1.00 0.93 H new ATOM 0 HB3 MET A 60 69.922 6.913 6.158 1.00 0.93 H new ATOM 0 HG2 MET A 60 70.539 7.497 8.642 1.00 1.27 H new ATOM 0 HG3 MET A 60 68.821 7.372 8.963 1.00 1.27 H new ATOM 0 HE1 MET A 60 67.704 3.983 8.360 1.00 0.97 H new ATOM 0 HE2 MET A 60 67.421 5.709 8.034 1.00 0.97 H new ATOM 0 HE3 MET A 60 68.057 4.654 6.750 1.00 0.97 H new ATOM 935 N ILE A 61 68.411 9.595 4.695 1.00 0.76 N ATOM 936 CA ILE A 61 68.319 9.999 3.262 1.00 0.78 C ATOM 937 C ILE A 61 68.981 11.364 3.053 1.00 0.77 C ATOM 938 O ILE A 61 69.686 11.582 2.089 1.00 0.82 O ATOM 939 CB ILE A 61 66.822 10.078 2.968 1.00 0.81 C ATOM 940 CG1 ILE A 61 66.212 8.677 3.060 1.00 0.90 C ATOM 941 CG2 ILE A 61 66.606 10.633 1.560 1.00 0.89 C ATOM 942 CD1 ILE A 61 64.760 8.781 3.532 1.00 0.98 C ATOM 0 H ILE A 61 67.518 9.502 5.178 1.00 0.76 H new ATOM 0 HA ILE A 61 68.827 9.296 2.602 1.00 0.78 H new ATOM 0 HB ILE A 61 66.343 10.735 3.695 1.00 0.81 H new ATOM 0 HG12 ILE A 61 66.255 8.186 2.088 1.00 0.90 H new ATOM 0 HG13 ILE A 61 66.788 8.063 3.753 1.00 0.90 H new ATOM 0 HG21 ILE A 61 65.538 10.689 1.351 1.00 0.89 H new ATOM 0 HG22 ILE A 61 67.042 11.630 1.491 1.00 0.89 H new ATOM 0 HG23 ILE A 61 67.084 9.977 0.833 1.00 0.89 H new ATOM 0 HD11 ILE A 61 64.326 7.783 3.597 1.00 0.98 H new ATOM 0 HD12 ILE A 61 64.729 9.255 4.513 1.00 0.98 H new ATOM 0 HD13 ILE A 61 64.189 9.379 2.822 1.00 0.98 H new ATOM 954 N ASP A 62 68.758 12.285 3.952 1.00 0.82 N ATOM 955 CA ASP A 62 69.375 13.634 3.804 1.00 0.90 C ATOM 956 C ASP A 62 70.889 13.553 4.022 1.00 0.85 C ATOM 957 O ASP A 62 71.605 14.516 3.833 1.00 0.91 O ATOM 958 CB ASP A 62 68.721 14.490 4.889 1.00 1.03 C ATOM 959 CG ASP A 62 68.038 15.698 4.244 1.00 1.58 C ATOM 960 OD1 ASP A 62 66.982 15.513 3.660 1.00 2.06 O ATOM 961 OD2 ASP A 62 68.581 16.786 4.346 1.00 2.24 O ATOM 0 H ASP A 62 68.176 12.162 4.781 1.00 0.82 H new ATOM 0 HA ASP A 62 69.221 14.050 2.808 1.00 0.90 H new ATOM 0 HB2 ASP A 62 67.991 13.899 5.443 1.00 1.03 H new ATOM 0 HB3 ASP A 62 69.471 14.823 5.606 1.00 1.03 H new ATOM 966 N GLU A 63 71.383 12.411 4.417 1.00 0.84 N ATOM 967 CA GLU A 63 72.850 12.272 4.645 1.00 0.91 C ATOM 968 C GLU A 63 73.438 11.236 3.684 1.00 1.01 C ATOM 969 O GLU A 63 74.634 11.175 3.476 1.00 1.32 O ATOM 970 CB GLU A 63 72.985 11.799 6.091 1.00 0.99 C ATOM 971 CG GLU A 63 72.439 12.872 7.035 1.00 1.35 C ATOM 972 CD GLU A 63 73.172 12.797 8.375 1.00 1.55 C ATOM 973 OE1 GLU A 63 74.386 12.917 8.370 1.00 2.00 O ATOM 974 OE2 GLU A 63 72.508 12.620 9.382 1.00 2.14 O ATOM 0 H GLU A 63 70.835 11.569 4.592 1.00 0.84 H new ATOM 0 HA GLU A 63 73.385 13.206 4.472 1.00 0.91 H new ATOM 0 HB2 GLU A 63 72.440 10.865 6.231 1.00 0.99 H new ATOM 0 HB3 GLU A 63 74.031 11.595 6.322 1.00 0.99 H new ATOM 0 HG2 GLU A 63 72.569 13.860 6.593 1.00 1.35 H new ATOM 0 HG3 GLU A 63 71.369 12.728 7.186 1.00 1.35 H new ATOM 981 N VAL A 64 72.606 10.420 3.097 1.00 0.92 N ATOM 982 CA VAL A 64 73.115 9.388 2.149 1.00 1.07 C ATOM 983 C VAL A 64 72.554 9.646 0.749 1.00 1.13 C ATOM 984 O VAL A 64 73.211 9.423 -0.249 1.00 1.54 O ATOM 985 CB VAL A 64 72.599 8.059 2.705 1.00 1.23 C ATOM 986 CG1 VAL A 64 71.119 7.883 2.350 1.00 2.24 C ATOM 987 CG2 VAL A 64 73.406 6.906 2.104 1.00 1.42 C ATOM 0 H VAL A 64 71.595 10.423 3.233 1.00 0.92 H new ATOM 0 HA VAL A 64 74.201 9.396 2.061 1.00 1.07 H new ATOM 0 HB VAL A 64 72.710 8.059 3.789 1.00 1.23 H new ATOM 0 HG11 VAL A 64 70.759 6.935 2.749 1.00 2.24 H new ATOM 0 HG12 VAL A 64 70.542 8.701 2.781 1.00 2.24 H new ATOM 0 HG13 VAL A 64 71.002 7.888 1.266 1.00 2.24 H new ATOM 0 HG21 VAL A 64 73.038 5.959 2.500 1.00 1.42 H new ATOM 0 HG22 VAL A 64 73.297 6.912 1.019 1.00 1.42 H new ATOM 0 HG23 VAL A 64 74.458 7.024 2.364 1.00 1.42 H new ATOM 997 N ASP A 65 71.340 10.113 0.676 1.00 1.00 N ATOM 998 CA ASP A 65 70.723 10.387 -0.654 1.00 1.14 C ATOM 999 C ASP A 65 70.692 11.893 -0.925 1.00 1.45 C ATOM 1000 O ASP A 65 69.726 12.422 -1.438 1.00 1.74 O ATOM 1001 CB ASP A 65 69.301 9.832 -0.553 1.00 1.21 C ATOM 1002 CG ASP A 65 68.735 9.619 -1.958 1.00 2.09 C ATOM 1003 OD1 ASP A 65 69.311 8.834 -2.694 1.00 2.83 O ATOM 1004 OD2 ASP A 65 67.736 10.242 -2.274 1.00 2.63 O ATOM 0 H ASP A 65 70.746 10.318 1.480 1.00 1.00 H new ATOM 0 HA ASP A 65 71.283 9.930 -1.470 1.00 1.14 H new ATOM 0 HB2 ASP A 65 69.305 8.890 -0.004 1.00 1.21 H new ATOM 0 HB3 ASP A 65 68.668 10.523 0.004 1.00 1.21 H new ATOM 1043 N SER A 69 68.316 13.448 -4.939 1.00 1.42 N ATOM 1044 CA SER A 69 67.163 14.390 -4.870 1.00 1.79 C ATOM 1045 C SER A 69 65.999 13.745 -4.113 1.00 1.42 C ATOM 1046 O SER A 69 64.847 14.057 -4.341 1.00 1.97 O ATOM 1047 CB SER A 69 66.777 14.651 -6.325 1.00 2.79 C ATOM 1048 OG SER A 69 66.909 16.039 -6.605 1.00 3.72 O ATOM 0 HA SER A 69 67.413 15.311 -4.344 1.00 1.79 H new ATOM 0 HB2 SER A 69 67.415 14.072 -6.992 1.00 2.79 H new ATOM 0 HB3 SER A 69 65.752 14.328 -6.505 1.00 2.79 H new ATOM 0 HG SER A 69 66.664 16.209 -7.538 1.00 3.72 H new ATOM 1054 N GLY A 70 66.290 12.844 -3.214 1.00 1.01 N ATOM 1055 CA GLY A 70 65.201 12.180 -2.444 1.00 1.07 C ATOM 1056 C GLY A 70 64.844 10.849 -3.108 1.00 0.84 C ATOM 1057 O GLY A 70 63.735 10.366 -2.995 1.00 0.87 O ATOM 0 H GLY A 70 67.235 12.539 -2.980 1.00 1.01 H new ATOM 0 HA2 GLY A 70 65.519 12.011 -1.415 1.00 1.07 H new ATOM 0 HA3 GLY A 70 64.324 12.826 -2.404 1.00 1.07 H new ATOM 1061 N THR A 71 65.776 10.252 -3.799 1.00 0.70 N ATOM 1062 CA THR A 71 65.489 8.951 -4.471 1.00 0.55 C ATOM 1063 C THR A 71 66.670 7.991 -4.292 1.00 0.54 C ATOM 1064 O THR A 71 67.811 8.354 -4.492 1.00 0.72 O ATOM 1065 CB THR A 71 65.299 9.299 -5.948 1.00 0.60 C ATOM 1066 OG1 THR A 71 66.537 9.735 -6.492 1.00 0.83 O ATOM 1067 CG2 THR A 71 64.260 10.412 -6.083 1.00 0.81 C ATOM 0 H THR A 71 66.723 10.608 -3.928 1.00 0.70 H new ATOM 0 HA THR A 71 64.612 8.456 -4.054 1.00 0.55 H new ATOM 0 HB THR A 71 64.954 8.417 -6.488 1.00 0.60 H new ATOM 0 HG1 THR A 71 67.271 9.433 -5.917 1.00 0.83 H new ATOM 0 HG21 THR A 71 64.126 10.659 -7.136 1.00 0.81 H new ATOM 0 HG22 THR A 71 63.311 10.076 -5.665 1.00 0.81 H new ATOM 0 HG23 THR A 71 64.601 11.296 -5.544 1.00 0.81 H new ATOM 1075 N VAL A 72 66.404 6.770 -3.917 1.00 0.52 N ATOM 1076 CA VAL A 72 67.517 5.792 -3.727 1.00 0.65 C ATOM 1077 C VAL A 72 67.524 4.749 -4.844 1.00 0.56 C ATOM 1078 O VAL A 72 66.494 4.361 -5.359 1.00 0.57 O ATOM 1079 CB VAL A 72 67.265 5.110 -2.377 1.00 0.92 C ATOM 1080 CG1 VAL A 72 67.827 5.983 -1.262 1.00 1.52 C ATOM 1081 CG2 VAL A 72 65.764 4.898 -2.154 1.00 1.23 C ATOM 0 H VAL A 72 65.469 6.406 -3.734 1.00 0.52 H new ATOM 0 HA VAL A 72 68.483 6.296 -3.751 1.00 0.65 H new ATOM 0 HB VAL A 72 67.758 4.138 -2.374 1.00 0.92 H new ATOM 0 HG11 VAL A 72 67.650 5.503 -0.300 1.00 1.52 H new ATOM 0 HG12 VAL A 72 68.899 6.117 -1.410 1.00 1.52 H new ATOM 0 HG13 VAL A 72 67.335 6.955 -1.278 1.00 1.52 H new ATOM 0 HG21 VAL A 72 65.604 4.413 -1.191 1.00 1.23 H new ATOM 0 HG22 VAL A 72 65.255 5.862 -2.164 1.00 1.23 H new ATOM 0 HG23 VAL A 72 65.364 4.268 -2.948 1.00 1.23 H new ATOM 1091 N ASP A 73 68.686 4.286 -5.209 1.00 0.64 N ATOM 1092 CA ASP A 73 68.786 3.254 -6.276 1.00 0.70 C ATOM 1093 C ASP A 73 69.325 1.955 -5.676 1.00 0.70 C ATOM 1094 O ASP A 73 69.551 1.864 -4.486 1.00 0.71 O ATOM 1095 CB ASP A 73 69.772 3.827 -7.294 1.00 0.85 C ATOM 1096 CG ASP A 73 71.026 4.318 -6.566 1.00 1.25 C ATOM 1097 OD1 ASP A 73 71.782 3.481 -6.101 1.00 1.91 O ATOM 1098 OD2 ASP A 73 71.208 5.522 -6.487 1.00 1.72 O ATOM 0 H ASP A 73 69.577 4.581 -4.810 1.00 0.64 H new ATOM 0 HA ASP A 73 67.824 3.028 -6.735 1.00 0.70 H new ATOM 0 HB2 ASP A 73 70.038 3.066 -8.027 1.00 0.85 H new ATOM 0 HB3 ASP A 73 69.310 4.649 -7.841 1.00 0.85 H new ATOM 1103 N PHE A 74 69.537 0.953 -6.478 1.00 0.81 N ATOM 1104 CA PHE A 74 70.065 -0.327 -5.927 1.00 0.87 C ATOM 1105 C PHE A 74 71.412 -0.080 -5.244 1.00 0.76 C ATOM 1106 O PHE A 74 71.881 -0.885 -4.463 1.00 0.74 O ATOM 1107 CB PHE A 74 70.232 -1.246 -7.136 1.00 1.04 C ATOM 1108 CG PHE A 74 70.129 -2.685 -6.690 1.00 1.34 C ATOM 1109 CD1 PHE A 74 68.892 -3.208 -6.295 1.00 2.16 C ATOM 1110 CD2 PHE A 74 71.271 -3.495 -6.669 1.00 2.11 C ATOM 1111 CE1 PHE A 74 68.797 -4.541 -5.879 1.00 3.14 C ATOM 1112 CE2 PHE A 74 71.175 -4.828 -6.255 1.00 3.02 C ATOM 1113 CZ PHE A 74 69.939 -5.352 -5.859 1.00 3.42 C ATOM 0 H PHE A 74 69.370 0.962 -7.484 1.00 0.81 H new ATOM 0 HA PHE A 74 69.402 -0.764 -5.181 1.00 0.87 H new ATOM 0 HB2 PHE A 74 69.466 -1.029 -7.880 1.00 1.04 H new ATOM 0 HB3 PHE A 74 71.197 -1.069 -7.611 1.00 1.04 H new ATOM 0 HD1 PHE A 74 68.011 -2.583 -6.311 1.00 2.16 H new ATOM 0 HD2 PHE A 74 72.226 -3.091 -6.972 1.00 2.11 H new ATOM 0 HE1 PHE A 74 67.843 -4.944 -5.573 1.00 3.14 H new ATOM 0 HE2 PHE A 74 72.055 -5.453 -6.241 1.00 3.02 H new ATOM 0 HZ PHE A 74 69.866 -6.381 -5.538 1.00 3.42 H new ATOM 1123 N ASP A 75 72.034 1.031 -5.528 1.00 0.79 N ATOM 1124 CA ASP A 75 73.347 1.335 -4.891 1.00 0.78 C ATOM 1125 C ASP A 75 73.131 2.019 -3.539 1.00 0.71 C ATOM 1126 O ASP A 75 73.774 1.696 -2.561 1.00 0.67 O ATOM 1127 CB ASP A 75 74.052 2.281 -5.866 1.00 0.96 C ATOM 1128 CG ASP A 75 75.538 1.928 -5.932 1.00 1.50 C ATOM 1129 OD1 ASP A 75 76.177 1.941 -4.892 1.00 1.99 O ATOM 1130 OD2 ASP A 75 76.013 1.653 -7.021 1.00 2.18 O ATOM 0 H ASP A 75 71.690 1.742 -6.174 1.00 0.79 H new ATOM 0 HA ASP A 75 73.933 0.436 -4.702 1.00 0.78 H new ATOM 0 HB2 ASP A 75 73.604 2.201 -6.856 1.00 0.96 H new ATOM 0 HB3 ASP A 75 73.926 3.314 -5.542 1.00 0.96 H new ATOM 1135 N GLU A 76 72.227 2.959 -3.475 1.00 0.74 N ATOM 1136 CA GLU A 76 71.969 3.656 -2.184 1.00 0.72 C ATOM 1137 C GLU A 76 71.102 2.777 -1.281 1.00 0.61 C ATOM 1138 O GLU A 76 71.408 2.564 -0.126 1.00 0.60 O ATOM 1139 CB GLU A 76 71.226 4.937 -2.566 1.00 0.82 C ATOM 1140 CG GLU A 76 72.045 5.715 -3.599 1.00 0.96 C ATOM 1141 CD GLU A 76 73.180 6.461 -2.896 1.00 1.36 C ATOM 1142 OE1 GLU A 76 72.885 7.339 -2.103 1.00 2.14 O ATOM 1143 OE2 GLU A 76 74.327 6.140 -3.162 1.00 2.01 O ATOM 0 H GLU A 76 71.657 3.274 -4.260 1.00 0.74 H new ATOM 0 HA GLU A 76 72.886 3.870 -1.635 1.00 0.72 H new ATOM 0 HB2 GLU A 76 70.245 4.693 -2.973 1.00 0.82 H new ATOM 0 HB3 GLU A 76 71.060 5.551 -1.681 1.00 0.82 H new ATOM 0 HG2 GLU A 76 72.452 5.032 -4.345 1.00 0.96 H new ATOM 0 HG3 GLU A 76 71.405 6.421 -4.129 1.00 0.96 H new ATOM 1150 N PHE A 77 70.021 2.261 -1.803 1.00 0.60 N ATOM 1151 CA PHE A 77 69.137 1.392 -0.975 1.00 0.54 C ATOM 1152 C PHE A 77 69.978 0.384 -0.187 1.00 0.48 C ATOM 1153 O PHE A 77 69.863 0.274 1.018 1.00 0.55 O ATOM 1154 CB PHE A 77 68.238 0.672 -1.980 1.00 0.61 C ATOM 1155 CG PHE A 77 67.467 -0.418 -1.276 1.00 0.67 C ATOM 1156 CD1 PHE A 77 66.688 -0.111 -0.154 1.00 1.52 C ATOM 1157 CD2 PHE A 77 67.530 -1.736 -1.746 1.00 1.30 C ATOM 1158 CE1 PHE A 77 65.973 -1.121 0.499 1.00 1.78 C ATOM 1159 CE2 PHE A 77 66.814 -2.746 -1.093 1.00 1.38 C ATOM 1160 CZ PHE A 77 66.036 -2.439 0.031 1.00 1.25 C ATOM 0 H PHE A 77 69.713 2.404 -2.765 1.00 0.60 H new ATOM 0 HA PHE A 77 68.559 1.962 -0.247 1.00 0.54 H new ATOM 0 HB2 PHE A 77 67.549 1.380 -2.440 1.00 0.61 H new ATOM 0 HB3 PHE A 77 68.840 0.246 -2.782 1.00 0.61 H new ATOM 0 HD1 PHE A 77 66.639 0.906 0.208 1.00 1.52 H new ATOM 0 HD2 PHE A 77 68.131 -1.973 -2.612 1.00 1.30 H new ATOM 0 HE1 PHE A 77 65.372 -0.884 1.365 1.00 1.78 H new ATOM 0 HE2 PHE A 77 66.861 -3.762 -1.456 1.00 1.38 H new ATOM 0 HZ PHE A 77 65.485 -3.219 0.536 1.00 1.25 H new ATOM 1170 N LEU A 78 70.822 -0.352 -0.857 1.00 0.46 N ATOM 1171 CA LEU A 78 71.669 -1.353 -0.145 1.00 0.49 C ATOM 1172 C LEU A 78 72.411 -0.687 1.017 1.00 0.48 C ATOM 1173 O LEU A 78 72.416 -1.179 2.128 1.00 0.54 O ATOM 1174 CB LEU A 78 72.660 -1.855 -1.195 1.00 0.56 C ATOM 1175 CG LEU A 78 72.094 -3.100 -1.879 1.00 0.78 C ATOM 1176 CD1 LEU A 78 71.944 -4.224 -0.852 1.00 1.70 C ATOM 1177 CD2 LEU A 78 70.724 -2.772 -2.479 1.00 0.70 C ATOM 0 H LEU A 78 70.962 -0.304 -1.866 1.00 0.46 H new ATOM 0 HA LEU A 78 71.078 -2.165 0.278 1.00 0.49 H new ATOM 0 HB2 LEU A 78 72.849 -1.076 -1.934 1.00 0.56 H new ATOM 0 HB3 LEU A 78 73.616 -2.088 -0.726 1.00 0.56 H new ATOM 0 HG LEU A 78 72.772 -3.420 -2.670 1.00 0.78 H new ATOM 0 HD11 LEU A 78 71.541 -5.111 -1.340 1.00 1.70 H new ATOM 0 HD12 LEU A 78 72.918 -4.457 -0.423 1.00 1.70 H new ATOM 0 HD13 LEU A 78 71.266 -3.905 -0.060 1.00 1.70 H new ATOM 0 HD21 LEU A 78 70.319 -3.658 -2.967 1.00 0.70 H new ATOM 0 HD22 LEU A 78 70.047 -2.453 -1.687 1.00 0.70 H new ATOM 0 HD23 LEU A 78 70.830 -1.971 -3.211 1.00 0.70 H new ATOM 1189 N VAL A 79 73.040 0.429 0.769 1.00 0.46 N ATOM 1190 CA VAL A 79 73.783 1.126 1.858 1.00 0.51 C ATOM 1191 C VAL A 79 72.861 1.367 3.058 1.00 0.53 C ATOM 1192 O VAL A 79 73.290 1.357 4.194 1.00 0.64 O ATOM 1193 CB VAL A 79 74.229 2.454 1.247 1.00 0.54 C ATOM 1194 CG1 VAL A 79 75.145 3.187 2.227 1.00 0.67 C ATOM 1195 CG2 VAL A 79 74.989 2.186 -0.054 1.00 0.62 C ATOM 0 H VAL A 79 73.072 0.889 -0.141 1.00 0.46 H new ATOM 0 HA VAL A 79 74.628 0.541 2.221 1.00 0.51 H new ATOM 0 HB VAL A 79 73.353 3.069 1.039 1.00 0.54 H new ATOM 0 HG11 VAL A 79 75.462 4.134 1.790 1.00 0.67 H new ATOM 0 HG12 VAL A 79 74.606 3.378 3.155 1.00 0.67 H new ATOM 0 HG13 VAL A 79 76.021 2.572 2.436 1.00 0.67 H new ATOM 0 HG21 VAL A 79 75.308 3.132 -0.491 1.00 0.62 H new ATOM 0 HG22 VAL A 79 75.864 1.570 0.156 1.00 0.62 H new ATOM 0 HG23 VAL A 79 74.338 1.664 -0.755 1.00 0.62 H new ATOM 1205 N MET A 80 71.597 1.582 2.813 1.00 0.52 N ATOM 1206 CA MET A 80 70.650 1.822 3.940 1.00 0.60 C ATOM 1207 C MET A 80 70.299 0.499 4.627 1.00 0.62 C ATOM 1208 O MET A 80 70.151 0.434 5.831 1.00 0.71 O ATOM 1209 CB MET A 80 69.408 2.435 3.290 1.00 0.66 C ATOM 1210 CG MET A 80 69.432 3.954 3.469 1.00 1.11 C ATOM 1211 SD MET A 80 67.753 4.553 3.779 1.00 1.23 S ATOM 1212 CE MET A 80 67.493 5.345 2.174 1.00 0.86 C ATOM 0 H MET A 80 71.179 1.602 1.883 1.00 0.52 H new ATOM 0 HA MET A 80 71.074 2.474 4.704 1.00 0.60 H new ATOM 0 HB2 MET A 80 69.379 2.184 2.230 1.00 0.66 H new ATOM 0 HB3 MET A 80 68.507 2.020 3.741 1.00 0.66 H new ATOM 0 HG2 MET A 80 70.084 4.222 4.300 1.00 1.11 H new ATOM 0 HG3 MET A 80 69.840 4.429 2.577 1.00 1.11 H new ATOM 0 HE1 MET A 80 66.486 5.759 2.132 1.00 0.86 H new ATOM 0 HE2 MET A 80 68.220 6.146 2.041 1.00 0.86 H new ATOM 0 HE3 MET A 80 67.616 4.608 1.380 1.00 0.86 H new ATOM 1222 N MET A 81 70.165 -0.556 3.870 1.00 0.61 N ATOM 1223 CA MET A 81 69.825 -1.874 4.478 1.00 0.72 C ATOM 1224 C MET A 81 70.952 -2.338 5.405 1.00 0.79 C ATOM 1225 O MET A 81 70.784 -2.429 6.605 1.00 0.91 O ATOM 1226 CB MET A 81 69.678 -2.831 3.294 1.00 0.75 C ATOM 1227 CG MET A 81 68.254 -3.390 3.262 1.00 1.01 C ATOM 1228 SD MET A 81 67.067 -2.023 3.285 1.00 1.71 S ATOM 1229 CE MET A 81 65.616 -2.992 3.766 1.00 1.66 C ATOM 0 H MET A 81 70.276 -0.562 2.856 1.00 0.61 H new ATOM 0 HA MET A 81 68.918 -1.827 5.081 1.00 0.72 H new ATOM 0 HB2 MET A 81 69.896 -2.309 2.362 1.00 0.75 H new ATOM 0 HB3 MET A 81 70.398 -3.645 3.380 1.00 0.75 H new ATOM 0 HG2 MET A 81 68.110 -3.996 2.367 1.00 1.01 H new ATOM 0 HG3 MET A 81 68.089 -4.043 4.119 1.00 1.01 H new ATOM 0 HE1 MET A 81 64.790 -2.770 3.090 1.00 1.66 H new ATOM 0 HE2 MET A 81 65.854 -4.054 3.712 1.00 1.66 H new ATOM 0 HE3 MET A 81 65.329 -2.736 4.786 1.00 1.66 H new ATOM 1239 N VAL A 82 72.100 -2.632 4.859 1.00 0.78 N ATOM 1240 CA VAL A 82 73.235 -3.090 5.710 1.00 0.90 C ATOM 1241 C VAL A 82 73.483 -2.089 6.840 1.00 0.94 C ATOM 1242 O VAL A 82 74.099 -2.406 7.839 1.00 1.13 O ATOM 1243 CB VAL A 82 74.438 -3.148 4.770 1.00 0.98 C ATOM 1244 CG1 VAL A 82 74.141 -4.112 3.618 1.00 1.83 C ATOM 1245 CG2 VAL A 82 74.712 -1.751 4.207 1.00 1.38 C ATOM 0 H VAL A 82 72.301 -2.575 3.861 1.00 0.78 H new ATOM 0 HA VAL A 82 73.038 -4.055 6.177 1.00 0.90 H new ATOM 0 HB VAL A 82 75.312 -3.498 5.320 1.00 0.98 H new ATOM 0 HG11 VAL A 82 74.999 -4.153 2.948 1.00 1.83 H new ATOM 0 HG12 VAL A 82 73.945 -5.107 4.018 1.00 1.83 H new ATOM 0 HG13 VAL A 82 73.267 -3.763 3.068 1.00 1.83 H new ATOM 0 HG21 VAL A 82 75.570 -1.791 3.536 1.00 1.38 H new ATOM 0 HG22 VAL A 82 73.838 -1.402 3.657 1.00 1.38 H new ATOM 0 HG23 VAL A 82 74.924 -1.064 5.026 1.00 1.38 H new ATOM 1255 N ARG A 83 73.009 -0.882 6.693 1.00 0.84 N ATOM 1256 CA ARG A 83 73.217 0.137 7.761 1.00 0.93 C ATOM 1257 C ARG A 83 72.033 0.132 8.732 1.00 0.93 C ATOM 1258 O ARG A 83 72.040 0.813 9.737 1.00 1.23 O ATOM 1259 CB ARG A 83 73.299 1.474 7.023 1.00 0.95 C ATOM 1260 CG ARG A 83 73.642 2.584 8.018 1.00 1.53 C ATOM 1261 CD ARG A 83 74.402 3.701 7.298 1.00 1.50 C ATOM 1262 NE ARG A 83 73.632 4.941 7.593 1.00 1.75 N ATOM 1263 CZ ARG A 83 73.060 5.599 6.622 1.00 2.02 C ATOM 1264 NH1 ARG A 83 71.952 5.153 6.096 1.00 2.58 N ATOM 1265 NH2 ARG A 83 73.597 6.702 6.177 1.00 2.44 N ATOM 0 H ARG A 83 72.487 -0.557 5.879 1.00 0.84 H new ATOM 0 HA ARG A 83 74.113 -0.058 8.350 1.00 0.93 H new ATOM 0 HB2 ARG A 83 74.057 1.424 6.241 1.00 0.95 H new ATOM 0 HB3 ARG A 83 72.350 1.690 6.533 1.00 0.95 H new ATOM 0 HG2 ARG A 83 72.730 2.980 8.465 1.00 1.53 H new ATOM 0 HG3 ARG A 83 74.248 2.183 8.831 1.00 1.53 H new ATOM 0 HD2 ARG A 83 75.427 3.778 7.659 1.00 1.50 H new ATOM 0 HD3 ARG A 83 74.455 3.515 6.225 1.00 1.50 H new ATOM 0 HE ARG A 83 73.552 5.276 8.553 1.00 1.75 H new ATOM 0 HH11 ARG A 83 71.533 4.290 6.444 1.00 2.58 H new ATOM 0 HH12 ARG A 83 71.505 5.667 5.337 1.00 2.58 H new ATOM 0 HH21 ARG A 83 74.463 7.049 6.588 1.00 2.44 H new ATOM 0 HH22 ARG A 83 73.150 7.217 5.418 1.00 2.44 H new ATOM 1279 N CYS A 84 71.017 -0.633 8.437 1.00 0.81 N ATOM 1280 CA CYS A 84 69.832 -0.681 9.341 1.00 0.94 C ATOM 1281 C CYS A 84 69.755 -2.043 10.038 1.00 1.01 C ATOM 1282 O CYS A 84 68.999 -2.231 10.971 1.00 1.67 O ATOM 1283 CB CYS A 84 68.626 -0.480 8.423 1.00 1.20 C ATOM 1284 SG CYS A 84 67.800 1.074 8.845 1.00 1.56 S ATOM 0 H CYS A 84 70.956 -1.226 7.610 1.00 0.81 H new ATOM 0 HA CYS A 84 69.878 0.075 10.125 1.00 0.94 H new ATOM 0 HB2 CYS A 84 68.947 -0.463 7.381 1.00 1.20 H new ATOM 0 HB3 CYS A 84 67.932 -1.314 8.529 1.00 1.20 H new ATOM 0 HG CYS A 84 66.665 1.147 8.216 1.00 1.56 H new ATOM 1290 N MET A 85 70.530 -2.993 9.593 1.00 1.25 N ATOM 1291 CA MET A 85 70.500 -4.342 10.229 1.00 1.43 C ATOM 1292 C MET A 85 71.924 -4.826 10.514 1.00 1.78 C ATOM 1293 O MET A 85 72.886 -4.110 10.318 1.00 2.66 O ATOM 1294 CB MET A 85 69.822 -5.248 9.201 1.00 1.49 C ATOM 1295 CG MET A 85 70.413 -4.981 7.816 1.00 1.71 C ATOM 1296 SD MET A 85 70.609 -6.546 6.930 1.00 1.93 S ATOM 1297 CE MET A 85 70.631 -5.857 5.258 1.00 1.59 C ATOM 0 H MET A 85 71.183 -2.894 8.816 1.00 1.25 H new ATOM 0 HA MET A 85 69.971 -4.337 11.182 1.00 1.43 H new ATOM 0 HB2 MET A 85 69.964 -6.294 9.473 1.00 1.49 H new ATOM 0 HB3 MET A 85 68.748 -5.064 9.191 1.00 1.49 H new ATOM 0 HG2 MET A 85 69.761 -4.312 7.254 1.00 1.71 H new ATOM 0 HG3 MET A 85 71.377 -4.482 7.911 1.00 1.71 H new ATOM 0 HE1 MET A 85 70.390 -6.640 4.539 1.00 1.59 H new ATOM 0 HE2 MET A 85 69.894 -5.057 5.184 1.00 1.59 H new ATOM 0 HE3 MET A 85 71.622 -5.458 5.042 1.00 1.59 H new