USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 610 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 69 SER OG : rot 114:sc= -0.874! USER MOD Set 1.2: A 71 THR OG1 : rot 36:sc= 1.05 USER MOD Set 2.1: A 45 MET CE :methyl -149:sc= -0.0757 (180deg=0) USER MOD Set 2.2: A 50 GLN :FLIP amide:sc=-0.00601 F(o=-0.74,f=-0.082) USER MOD Set 3.1: A 16 GLN :FLIP amide:sc= -0.35 F(o=-2,f=-0.35) USER MOD Set 3.2: A 85 MET CE :methyl -156:sc=-0.00345 (180deg=-0.743) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 139:sc= -0.274 (180deg=-1.63!) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0907 USER MOD Single : A 17 LYS NZ :NH3+ -148:sc= -0.103 (180deg=-0.885) USER MOD Single : A 18 ASN : amide:sc= -1.35 K(o=-1.3,f=-4!) USER MOD Single : A 21 LYS NZ :NH3+ -152:sc= 0.0937 (180deg=-0.129) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0.419 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.133 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -134:sc= -3.95 (180deg=-8.97!) USER MOD Single : A 51 ASN : amide:sc= -0.55 K(o=-0.55,f=-1.9!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0636 USER MOD Single : A 58 GLN :FLIP amide:sc= -0.714 F(o=-1.7!,f=-0.71) USER MOD Single : A 60 MET CE :methyl -158:sc= 0 (180deg=-0.279) USER MOD Single : A 80 MET CE :methyl 176:sc= -0.305 (180deg=-0.364) USER MOD Single : A 81 MET CE :methyl -147:sc= -0.343 (180deg=-1.99!) USER MOD Single : A 84 SER OG : rot -36:sc= 0.132 USER MOD ----------------------------------------------------------------- ATOM 44 N TYR A 5 69.527 12.943 0.535 1.00 0.88 N ATOM 45 CA TYR A 5 70.245 11.797 -0.092 1.00 0.86 C ATOM 46 C TYR A 5 69.848 11.671 -1.565 1.00 0.78 C ATOM 47 O TYR A 5 70.650 11.314 -2.405 1.00 0.79 O ATOM 48 CB TYR A 5 69.794 10.569 0.697 1.00 1.02 C ATOM 49 CG TYR A 5 69.932 10.847 2.175 1.00 1.22 C ATOM 50 CD1 TYR A 5 71.161 10.643 2.814 1.00 1.64 C ATOM 51 CD2 TYR A 5 68.832 11.313 2.905 1.00 1.94 C ATOM 52 CE1 TYR A 5 71.290 10.906 4.183 1.00 1.80 C ATOM 53 CE2 TYR A 5 68.960 11.575 4.274 1.00 2.20 C ATOM 54 CZ TYR A 5 70.189 11.371 4.913 1.00 1.77 C ATOM 55 OH TYR A 5 70.316 11.628 6.263 1.00 2.07 O ATOM 0 HA TYR A 5 71.328 11.920 -0.066 1.00 0.86 H new ATOM 0 HB2 TYR A 5 68.759 10.328 0.456 1.00 1.02 H new ATOM 0 HB3 TYR A 5 70.396 9.703 0.420 1.00 1.02 H new ATOM 0 HD1 TYR A 5 72.009 10.283 2.251 1.00 1.64 H new ATOM 0 HD2 TYR A 5 67.884 11.470 2.412 1.00 1.94 H new ATOM 0 HE1 TYR A 5 72.238 10.750 4.676 1.00 1.80 H new ATOM 0 HE2 TYR A 5 68.111 11.934 4.837 1.00 2.20 H new ATOM 0 HH TYR A 5 69.459 11.945 6.618 1.00 2.07 H new ATOM 65 N LYS A 6 68.617 11.963 -1.886 1.00 0.89 N ATOM 66 CA LYS A 6 68.177 11.861 -3.307 1.00 1.01 C ATOM 67 C LYS A 6 69.190 12.558 -4.218 1.00 0.98 C ATOM 68 O LYS A 6 69.529 12.068 -5.277 1.00 1.00 O ATOM 69 CB LYS A 6 66.826 12.576 -3.357 1.00 1.28 C ATOM 70 CG LYS A 6 65.957 11.948 -4.449 1.00 1.60 C ATOM 71 CD LYS A 6 66.093 12.759 -5.739 1.00 2.04 C ATOM 72 CE LYS A 6 64.742 12.806 -6.457 1.00 2.60 C ATOM 73 NZ LYS A 6 63.844 13.557 -5.537 1.00 3.24 N ATOM 0 H LYS A 6 67.899 12.267 -1.228 1.00 0.89 H new ATOM 0 HA LYS A 6 68.100 10.828 -3.646 1.00 1.01 H new ATOM 0 HB2 LYS A 6 66.326 12.500 -2.391 1.00 1.28 H new ATOM 0 HB3 LYS A 6 66.971 13.637 -3.558 1.00 1.28 H new ATOM 0 HG2 LYS A 6 66.261 10.916 -4.622 1.00 1.60 H new ATOM 0 HG3 LYS A 6 64.915 11.924 -4.130 1.00 1.60 H new ATOM 0 HD2 LYS A 6 66.431 13.770 -5.512 1.00 2.04 H new ATOM 0 HD3 LYS A 6 66.846 12.309 -6.386 1.00 2.04 H new ATOM 0 HE2 LYS A 6 64.825 13.305 -7.422 1.00 2.60 H new ATOM 0 HE3 LYS A 6 64.361 11.803 -6.649 1.00 2.60 H new ATOM 0 HZ1 LYS A 6 63.248 14.207 -6.088 1.00 3.24 H new ATOM 0 HZ2 LYS A 6 63.239 12.888 -5.019 1.00 3.24 H new ATOM 0 HZ3 LYS A 6 64.417 14.101 -4.860 1.00 3.24 H new ATOM 87 N ALA A 7 69.680 13.697 -3.810 1.00 1.07 N ATOM 88 CA ALA A 7 70.676 14.422 -4.650 1.00 1.20 C ATOM 89 C ALA A 7 71.798 13.470 -5.067 1.00 1.08 C ATOM 90 O ALA A 7 72.285 13.517 -6.178 1.00 1.19 O ATOM 91 CB ALA A 7 71.220 15.531 -3.750 1.00 1.36 C ATOM 0 H ALA A 7 69.434 14.156 -2.933 1.00 1.07 H new ATOM 0 HA ALA A 7 70.237 14.820 -5.565 1.00 1.20 H new ATOM 0 HB1 ALA A 7 71.962 16.112 -4.297 1.00 1.36 H new ATOM 0 HB2 ALA A 7 70.403 16.183 -3.442 1.00 1.36 H new ATOM 0 HB3 ALA A 7 71.684 15.089 -2.868 1.00 1.36 H new ATOM 97 N ALA A 8 72.209 12.603 -4.182 1.00 0.95 N ATOM 98 CA ALA A 8 73.297 11.644 -4.528 1.00 0.96 C ATOM 99 C ALA A 8 72.755 10.542 -5.440 1.00 0.90 C ATOM 100 O ALA A 8 73.389 10.149 -6.399 1.00 1.01 O ATOM 101 CB ALA A 8 73.749 11.059 -3.189 1.00 0.98 C ATOM 0 H ALA A 8 71.839 12.517 -3.235 1.00 0.95 H new ATOM 0 HA ALA A 8 74.119 12.123 -5.061 1.00 0.96 H new ATOM 0 HB1 ALA A 8 74.551 10.341 -3.358 1.00 0.98 H new ATOM 0 HB2 ALA A 8 74.109 11.861 -2.545 1.00 0.98 H new ATOM 0 HB3 ALA A 8 72.909 10.558 -2.709 1.00 0.98 H new ATOM 107 N VAL A 9 71.584 10.044 -5.150 1.00 0.83 N ATOM 108 CA VAL A 9 71.000 8.970 -6.001 1.00 0.82 C ATOM 109 C VAL A 9 70.565 9.549 -7.351 1.00 0.97 C ATOM 110 O VAL A 9 70.461 8.845 -8.336 1.00 1.02 O ATOM 111 CB VAL A 9 69.790 8.460 -5.219 1.00 0.84 C ATOM 112 CG1 VAL A 9 68.997 7.480 -6.086 1.00 1.05 C ATOM 113 CG2 VAL A 9 70.267 7.747 -3.950 1.00 0.70 C ATOM 0 H VAL A 9 71.007 10.335 -4.361 1.00 0.83 H new ATOM 0 HA VAL A 9 71.713 8.172 -6.211 1.00 0.82 H new ATOM 0 HB VAL A 9 69.153 9.301 -4.947 1.00 0.84 H new ATOM 0 HG11 VAL A 9 68.134 7.116 -5.528 1.00 1.05 H new ATOM 0 HG12 VAL A 9 68.658 7.986 -6.990 1.00 1.05 H new ATOM 0 HG13 VAL A 9 69.634 6.638 -6.359 1.00 1.05 H new ATOM 0 HG21 VAL A 9 69.405 7.383 -3.391 1.00 0.70 H new ATOM 0 HG22 VAL A 9 70.904 6.906 -4.223 1.00 0.70 H new ATOM 0 HG23 VAL A 9 70.832 8.444 -3.331 1.00 0.70 H new ATOM 123 N GLU A 10 70.314 10.828 -7.402 1.00 1.12 N ATOM 124 CA GLU A 10 69.889 11.457 -8.685 1.00 1.32 C ATOM 125 C GLU A 10 71.042 11.431 -9.691 1.00 1.37 C ATOM 126 O GLU A 10 70.836 11.451 -10.889 1.00 1.56 O ATOM 127 CB GLU A 10 69.530 12.898 -8.320 1.00 1.51 C ATOM 128 CG GLU A 10 68.046 13.144 -8.596 1.00 1.80 C ATOM 129 CD GLU A 10 67.899 14.209 -9.684 1.00 2.02 C ATOM 130 OE1 GLU A 10 68.754 15.075 -9.758 1.00 2.61 O ATOM 131 OE2 GLU A 10 66.932 14.139 -10.426 1.00 2.28 O ATOM 0 H GLU A 10 70.385 11.466 -6.609 1.00 1.12 H new ATOM 0 HA GLU A 10 69.052 10.933 -9.145 1.00 1.32 H new ATOM 0 HB2 GLU A 10 69.750 13.083 -7.269 1.00 1.51 H new ATOM 0 HB3 GLU A 10 70.138 13.593 -8.900 1.00 1.51 H new ATOM 0 HG2 GLU A 10 67.566 12.218 -8.912 1.00 1.80 H new ATOM 0 HG3 GLU A 10 67.545 13.469 -7.684 1.00 1.80 H new ATOM 138 N GLN A 11 72.255 11.392 -9.213 1.00 1.29 N ATOM 139 CA GLN A 11 73.423 11.369 -10.141 1.00 1.45 C ATOM 140 C GLN A 11 73.901 9.932 -10.363 1.00 1.35 C ATOM 141 O GLN A 11 74.838 9.688 -11.097 1.00 1.53 O ATOM 142 CB GLN A 11 74.504 12.187 -9.433 1.00 1.61 C ATOM 143 CG GLN A 11 74.465 13.631 -9.937 1.00 2.13 C ATOM 144 CD GLN A 11 74.618 14.588 -8.754 1.00 2.44 C ATOM 145 OE1 GLN A 11 75.698 14.745 -8.220 1.00 2.96 O ATOM 146 NE2 GLN A 11 73.573 15.237 -8.317 1.00 2.71 N ATOM 0 H GLN A 11 72.489 11.375 -8.220 1.00 1.29 H new ATOM 0 HA GLN A 11 73.176 11.775 -11.122 1.00 1.45 H new ATOM 0 HB2 GLN A 11 74.345 12.163 -8.355 1.00 1.61 H new ATOM 0 HB3 GLN A 11 75.486 11.752 -9.621 1.00 1.61 H new ATOM 0 HG2 GLN A 11 75.265 13.797 -10.659 1.00 2.13 H new ATOM 0 HG3 GLN A 11 73.524 13.822 -10.454 1.00 2.13 H new ATOM 0 HE21 GLN A 11 72.666 15.105 -8.765 1.00 2.71 H new ATOM 0 HE22 GLN A 11 73.663 15.876 -7.527 1.00 2.71 H new ATOM 155 N LEU A 12 73.268 8.980 -9.735 1.00 1.18 N ATOM 156 CA LEU A 12 73.695 7.562 -9.915 1.00 1.21 C ATOM 157 C LEU A 12 73.736 7.210 -11.404 1.00 1.11 C ATOM 158 O LEU A 12 73.350 7.993 -12.248 1.00 1.25 O ATOM 159 CB LEU A 12 72.631 6.728 -9.203 1.00 1.32 C ATOM 160 CG LEU A 12 73.096 6.397 -7.783 1.00 1.38 C ATOM 161 CD1 LEU A 12 71.961 5.705 -7.029 1.00 1.49 C ATOM 162 CD2 LEU A 12 74.306 5.460 -7.843 1.00 1.68 C ATOM 0 H LEU A 12 72.477 9.121 -9.107 1.00 1.18 H new ATOM 0 HA LEU A 12 74.691 7.380 -9.512 1.00 1.21 H new ATOM 0 HB2 LEU A 12 71.689 7.276 -9.169 1.00 1.32 H new ATOM 0 HB3 LEU A 12 72.445 5.809 -9.758 1.00 1.32 H new ATOM 0 HG LEU A 12 73.374 7.317 -7.269 1.00 1.38 H new ATOM 0 HD11 LEU A 12 72.288 5.467 -6.017 1.00 1.49 H new ATOM 0 HD12 LEU A 12 71.097 6.367 -6.985 1.00 1.49 H new ATOM 0 HD13 LEU A 12 71.687 4.786 -7.547 1.00 1.49 H new ATOM 0 HD21 LEU A 12 74.635 5.226 -6.831 1.00 1.68 H new ATOM 0 HD22 LEU A 12 74.028 4.539 -8.356 1.00 1.68 H new ATOM 0 HD23 LEU A 12 75.117 5.947 -8.385 1.00 1.68 H new ATOM 174 N THR A 13 74.197 6.036 -11.729 1.00 1.05 N ATOM 175 CA THR A 13 74.259 5.630 -13.161 1.00 1.13 C ATOM 176 C THR A 13 73.083 4.708 -13.494 1.00 0.94 C ATOM 177 O THR A 13 72.590 3.986 -12.651 1.00 0.87 O ATOM 178 CB THR A 13 75.586 4.884 -13.307 1.00 1.38 C ATOM 179 OG1 THR A 13 75.985 4.379 -12.040 1.00 1.89 O ATOM 180 CG2 THR A 13 76.655 5.839 -13.838 1.00 1.68 C ATOM 0 H THR A 13 74.534 5.339 -11.065 1.00 1.05 H new ATOM 0 HA THR A 13 74.199 6.483 -13.837 1.00 1.13 H new ATOM 0 HB THR A 13 75.463 4.057 -14.006 1.00 1.38 H new ATOM 0 HG1 THR A 13 76.834 3.899 -12.132 1.00 1.89 H new ATOM 0 HG21 THR A 13 77.600 5.306 -13.941 1.00 1.68 H new ATOM 0 HG22 THR A 13 76.348 6.225 -14.810 1.00 1.68 H new ATOM 0 HG23 THR A 13 76.780 6.668 -13.142 1.00 1.68 H new ATOM 188 N GLU A 14 72.630 4.727 -14.717 1.00 0.94 N ATOM 189 CA GLU A 14 71.487 3.852 -15.102 1.00 0.90 C ATOM 190 C GLU A 14 71.728 2.418 -14.617 1.00 0.82 C ATOM 191 O GLU A 14 70.806 1.641 -14.464 1.00 0.82 O ATOM 192 CB GLU A 14 71.449 3.903 -16.630 1.00 1.05 C ATOM 193 CG GLU A 14 70.363 4.882 -17.083 1.00 2.10 C ATOM 194 CD GLU A 14 70.979 5.943 -17.998 1.00 2.64 C ATOM 195 OE1 GLU A 14 71.565 6.878 -17.477 1.00 2.91 O ATOM 196 OE2 GLU A 14 70.854 5.802 -19.203 1.00 3.31 O ATOM 0 H GLU A 14 73.002 5.311 -15.466 1.00 0.94 H new ATOM 0 HA GLU A 14 70.547 4.181 -14.659 1.00 0.90 H new ATOM 0 HB2 GLU A 14 72.419 4.215 -17.018 1.00 1.05 H new ATOM 0 HB3 GLU A 14 71.249 2.910 -17.032 1.00 1.05 H new ATOM 0 HG2 GLU A 14 69.573 4.347 -17.610 1.00 2.10 H new ATOM 0 HG3 GLU A 14 69.903 5.357 -16.217 1.00 2.10 H new ATOM 203 N GLU A 15 72.960 2.060 -14.376 1.00 0.92 N ATOM 204 CA GLU A 15 73.260 0.676 -13.905 1.00 1.01 C ATOM 205 C GLU A 15 72.938 0.530 -12.414 1.00 0.90 C ATOM 206 O GLU A 15 72.663 -0.552 -11.934 1.00 0.89 O ATOM 207 CB GLU A 15 74.759 0.493 -14.146 1.00 1.23 C ATOM 208 CG GLU A 15 75.050 0.588 -15.644 1.00 1.92 C ATOM 209 CD GLU A 15 76.400 -0.065 -15.946 1.00 2.37 C ATOM 210 OE1 GLU A 15 77.225 -0.117 -15.048 1.00 2.90 O ATOM 211 OE2 GLU A 15 76.586 -0.504 -17.069 1.00 2.80 O ATOM 0 H GLU A 15 73.773 2.666 -14.485 1.00 0.92 H new ATOM 0 HA GLU A 15 72.663 -0.071 -14.429 1.00 1.01 H new ATOM 0 HB2 GLU A 15 75.321 1.256 -13.607 1.00 1.23 H new ATOM 0 HB3 GLU A 15 75.085 -0.474 -13.762 1.00 1.23 H new ATOM 0 HG2 GLU A 15 74.261 0.094 -16.210 1.00 1.92 H new ATOM 0 HG3 GLU A 15 75.061 1.632 -15.957 1.00 1.92 H new ATOM 218 N GLN A 16 72.971 1.606 -11.675 1.00 0.89 N ATOM 219 CA GLN A 16 72.669 1.515 -10.217 1.00 0.87 C ATOM 220 C GLN A 16 71.156 1.534 -9.985 1.00 0.68 C ATOM 221 O GLN A 16 70.639 0.816 -9.152 1.00 0.67 O ATOM 222 CB GLN A 16 73.323 2.750 -9.598 1.00 0.97 C ATOM 223 CG GLN A 16 74.843 2.575 -9.587 1.00 1.77 C ATOM 224 CD GLN A 16 75.261 1.811 -8.329 1.00 2.15 C ATOM 225 OE1 GLN A 16 74.793 2.182 -7.168 1.00 2.42 O flip ATOM 226 NE2 GLN A 16 76.023 0.867 -8.403 1.00 2.61 N flip ATOM 0 H GLN A 16 73.193 2.541 -12.016 1.00 0.89 H new ATOM 0 HA GLN A 16 73.044 0.591 -9.776 1.00 0.87 H new ATOM 0 HB2 GLN A 16 73.053 3.640 -10.166 1.00 0.97 H new ATOM 0 HB3 GLN A 16 72.956 2.897 -8.582 1.00 0.97 H new ATOM 0 HG2 GLN A 16 75.164 2.034 -10.477 1.00 1.77 H new ATOM 0 HG3 GLN A 16 75.332 3.549 -9.613 1.00 1.77 H new ATOM 0 HE21 GLN A 16 76.389 0.577 -9.310 1.00 2.61 H new ATOM 0 HE22 GLN A 16 76.297 0.365 -7.558 1.00 2.61 H new ATOM 235 N LYS A 17 70.442 2.347 -10.713 1.00 0.63 N ATOM 236 CA LYS A 17 68.963 2.407 -10.528 1.00 0.62 C ATOM 237 C LYS A 17 68.295 1.230 -11.244 1.00 0.60 C ATOM 238 O LYS A 17 67.221 0.797 -10.878 1.00 0.66 O ATOM 239 CB LYS A 17 68.535 3.732 -11.156 1.00 0.74 C ATOM 240 CG LYS A 17 68.473 4.814 -10.075 1.00 1.21 C ATOM 241 CD LYS A 17 69.728 5.685 -10.148 1.00 1.31 C ATOM 242 CE LYS A 17 69.323 7.156 -10.259 1.00 1.43 C ATOM 243 NZ LYS A 17 68.616 7.262 -11.566 1.00 2.06 N ATOM 0 H LYS A 17 70.817 2.972 -11.427 1.00 0.63 H new ATOM 0 HA LYS A 17 68.675 2.346 -9.478 1.00 0.62 H new ATOM 0 HB2 LYS A 17 69.240 4.022 -11.935 1.00 0.74 H new ATOM 0 HB3 LYS A 17 67.561 3.623 -11.632 1.00 0.74 H new ATOM 0 HG2 LYS A 17 67.583 5.428 -10.212 1.00 1.21 H new ATOM 0 HG3 LYS A 17 68.394 4.354 -9.090 1.00 1.21 H new ATOM 0 HD2 LYS A 17 70.342 5.532 -9.260 1.00 1.31 H new ATOM 0 HD3 LYS A 17 70.333 5.398 -11.008 1.00 1.31 H new ATOM 0 HE2 LYS A 17 68.674 7.450 -9.434 1.00 1.43 H new ATOM 0 HE3 LYS A 17 70.195 7.809 -10.228 1.00 1.43 H new ATOM 0 HZ1 LYS A 17 68.780 8.205 -11.974 1.00 2.06 H new ATOM 0 HZ2 LYS A 17 68.978 6.536 -12.216 1.00 2.06 H new ATOM 0 HZ3 LYS A 17 67.596 7.120 -11.421 1.00 2.06 H new ATOM 257 N ASN A 18 68.925 0.705 -12.259 1.00 0.70 N ATOM 258 CA ASN A 18 68.327 -0.446 -12.994 1.00 0.85 C ATOM 259 C ASN A 18 68.285 -1.681 -12.091 1.00 0.70 C ATOM 260 O ASN A 18 67.336 -2.441 -12.104 1.00 0.66 O ATOM 261 CB ASN A 18 69.260 -0.684 -14.183 1.00 1.11 C ATOM 262 CG ASN A 18 68.727 0.061 -15.409 1.00 1.68 C ATOM 263 OD1 ASN A 18 67.593 0.499 -15.422 1.00 2.15 O ATOM 264 ND2 ASN A 18 69.502 0.223 -16.445 1.00 2.13 N ATOM 0 H ASN A 18 69.828 1.023 -12.611 1.00 0.70 H new ATOM 0 HA ASN A 18 67.304 -0.248 -13.312 1.00 0.85 H new ATOM 0 HB2 ASN A 18 70.266 -0.339 -13.944 1.00 1.11 H new ATOM 0 HB3 ASN A 18 69.331 -1.751 -14.395 1.00 1.11 H new ATOM 0 HD21 ASN A 18 69.157 0.718 -17.268 1.00 2.13 H new ATOM 0 HD22 ASN A 18 70.453 -0.145 -16.433 1.00 2.13 H new ATOM 271 N GLU A 19 69.306 -1.885 -11.304 1.00 0.76 N ATOM 272 CA GLU A 19 69.326 -3.068 -10.398 1.00 0.79 C ATOM 273 C GLU A 19 68.523 -2.773 -9.127 1.00 0.65 C ATOM 274 O GLU A 19 67.686 -3.551 -8.716 1.00 0.66 O ATOM 275 CB GLU A 19 70.803 -3.285 -10.062 1.00 0.98 C ATOM 276 CG GLU A 19 71.327 -4.502 -10.828 1.00 1.21 C ATOM 277 CD GLU A 19 71.979 -4.042 -12.134 1.00 1.82 C ATOM 278 OE1 GLU A 19 72.195 -2.849 -12.278 1.00 2.53 O ATOM 279 OE2 GLU A 19 72.251 -4.890 -12.968 1.00 2.44 O ATOM 0 H GLU A 19 70.128 -1.283 -11.249 1.00 0.76 H new ATOM 0 HA GLU A 19 68.880 -3.949 -10.858 1.00 0.79 H new ATOM 0 HB2 GLU A 19 71.381 -2.399 -10.326 1.00 0.98 H new ATOM 0 HB3 GLU A 19 70.924 -3.437 -8.990 1.00 0.98 H new ATOM 0 HG2 GLU A 19 72.051 -5.044 -10.219 1.00 1.21 H new ATOM 0 HG3 GLU A 19 70.509 -5.191 -11.040 1.00 1.21 H new ATOM 286 N PHE A 20 68.770 -1.652 -8.505 1.00 0.67 N ATOM 287 CA PHE A 20 68.017 -1.308 -7.264 1.00 0.75 C ATOM 288 C PHE A 20 66.514 -1.285 -7.549 1.00 0.66 C ATOM 289 O PHE A 20 65.784 -2.171 -7.151 1.00 0.79 O ATOM 290 CB PHE A 20 68.512 0.086 -6.869 1.00 0.97 C ATOM 291 CG PHE A 20 69.992 0.044 -6.552 1.00 1.44 C ATOM 292 CD1 PHE A 20 70.625 -1.175 -6.267 1.00 2.24 C ATOM 293 CD2 PHE A 20 70.734 1.232 -6.540 1.00 2.35 C ATOM 294 CE1 PHE A 20 71.993 -1.204 -5.972 1.00 3.29 C ATOM 295 CE2 PHE A 20 72.103 1.203 -6.244 1.00 3.36 C ATOM 296 CZ PHE A 20 72.732 -0.015 -5.961 1.00 3.69 C ATOM 0 H PHE A 20 69.459 -0.961 -8.801 1.00 0.67 H new ATOM 0 HA PHE A 20 68.179 -2.035 -6.468 1.00 0.75 H new ATOM 0 HB2 PHE A 20 68.326 0.790 -7.681 1.00 0.97 H new ATOM 0 HB3 PHE A 20 67.957 0.445 -6.002 1.00 0.97 H new ATOM 0 HD1 PHE A 20 70.056 -2.093 -6.275 1.00 2.24 H new ATOM 0 HD2 PHE A 20 70.250 2.172 -6.759 1.00 2.35 H new ATOM 0 HE1 PHE A 20 72.478 -2.144 -5.753 1.00 3.29 H new ATOM 0 HE2 PHE A 20 72.673 2.120 -6.234 1.00 3.36 H new ATOM 0 HZ PHE A 20 73.788 -0.038 -5.734 1.00 3.69 H new ATOM 306 N LYS A 21 66.043 -0.279 -8.235 1.00 0.60 N ATOM 307 CA LYS A 21 64.586 -0.207 -8.543 1.00 0.65 C ATOM 308 C LYS A 21 64.072 -1.581 -8.983 1.00 0.57 C ATOM 309 O LYS A 21 62.997 -2.002 -8.606 1.00 0.57 O ATOM 310 CB LYS A 21 64.470 0.801 -9.687 1.00 0.78 C ATOM 311 CG LYS A 21 63.343 1.791 -9.381 1.00 1.27 C ATOM 312 CD LYS A 21 62.074 1.020 -9.009 1.00 1.58 C ATOM 313 CE LYS A 21 61.616 1.436 -7.608 1.00 2.42 C ATOM 314 NZ LYS A 21 60.362 2.210 -7.829 1.00 2.88 N ATOM 0 H LYS A 21 66.603 0.494 -8.595 1.00 0.60 H new ATOM 0 HA LYS A 21 63.995 0.092 -7.677 1.00 0.65 H new ATOM 0 HB2 LYS A 21 65.412 1.334 -9.814 1.00 0.78 H new ATOM 0 HB3 LYS A 21 64.269 0.282 -10.624 1.00 0.78 H new ATOM 0 HG2 LYS A 21 63.635 2.449 -8.562 1.00 1.27 H new ATOM 0 HG3 LYS A 21 63.156 2.425 -10.248 1.00 1.27 H new ATOM 0 HD2 LYS A 21 61.287 1.222 -9.735 1.00 1.58 H new ATOM 0 HD3 LYS A 21 62.266 -0.053 -9.037 1.00 1.58 H new ATOM 0 HE2 LYS A 21 61.437 0.566 -6.976 1.00 2.42 H new ATOM 0 HE3 LYS A 21 62.372 2.042 -7.109 1.00 2.42 H new ATOM 0 HZ1 LYS A 21 60.241 2.902 -7.062 1.00 2.88 H new ATOM 0 HZ2 LYS A 21 60.418 2.709 -8.740 1.00 2.88 H new ATOM 0 HZ3 LYS A 21 59.550 1.560 -7.840 1.00 2.88 H new ATOM 328 N ALA A 22 64.836 -2.284 -9.774 1.00 0.59 N ATOM 329 CA ALA A 22 64.394 -3.632 -10.234 1.00 0.62 C ATOM 330 C ALA A 22 64.404 -4.611 -9.059 1.00 0.50 C ATOM 331 O ALA A 22 63.443 -5.313 -8.815 1.00 0.50 O ATOM 332 CB ALA A 22 65.421 -4.047 -11.288 1.00 0.76 C ATOM 0 H ALA A 22 65.747 -1.984 -10.122 1.00 0.59 H new ATOM 0 HA ALA A 22 63.381 -3.624 -10.637 1.00 0.62 H new ATOM 0 HB1 ALA A 22 65.165 -5.033 -11.677 1.00 0.76 H new ATOM 0 HB2 ALA A 22 65.419 -3.323 -12.103 1.00 0.76 H new ATOM 0 HB3 ALA A 22 66.412 -4.081 -10.836 1.00 0.76 H new ATOM 338 N ALA A 23 65.483 -4.661 -8.326 1.00 0.50 N ATOM 339 CA ALA A 23 65.550 -5.592 -7.163 1.00 0.53 C ATOM 340 C ALA A 23 64.299 -5.433 -6.297 1.00 0.46 C ATOM 341 O ALA A 23 63.630 -6.394 -5.972 1.00 0.52 O ATOM 342 CB ALA A 23 66.798 -5.168 -6.388 1.00 0.64 C ATOM 0 H ALA A 23 66.320 -4.099 -8.482 1.00 0.50 H new ATOM 0 HA ALA A 23 65.598 -6.637 -7.468 1.00 0.53 H new ATOM 0 HB1 ALA A 23 66.918 -5.808 -5.514 1.00 0.64 H new ATOM 0 HB2 ALA A 23 67.674 -5.262 -7.030 1.00 0.64 H new ATOM 0 HB3 ALA A 23 66.693 -4.131 -6.068 1.00 0.64 H new ATOM 348 N PHE A 24 63.974 -4.224 -5.928 1.00 0.47 N ATOM 349 CA PHE A 24 62.762 -4.000 -5.089 1.00 0.57 C ATOM 350 C PHE A 24 61.551 -4.683 -5.729 1.00 0.48 C ATOM 351 O PHE A 24 60.783 -5.353 -5.069 1.00 0.51 O ATOM 352 CB PHE A 24 62.575 -2.483 -5.065 1.00 0.77 C ATOM 353 CG PHE A 24 61.284 -2.142 -4.360 1.00 0.90 C ATOM 354 CD1 PHE A 24 60.056 -2.435 -4.967 1.00 1.58 C ATOM 355 CD2 PHE A 24 61.314 -1.528 -3.103 1.00 1.54 C ATOM 356 CE1 PHE A 24 58.860 -2.117 -4.313 1.00 1.72 C ATOM 357 CE2 PHE A 24 60.117 -1.210 -2.449 1.00 1.62 C ATOM 358 CZ PHE A 24 58.890 -1.505 -3.055 1.00 1.25 C ATOM 0 H PHE A 24 64.495 -3.382 -6.171 1.00 0.47 H new ATOM 0 HA PHE A 24 62.867 -4.412 -4.085 1.00 0.57 H new ATOM 0 HB2 PHE A 24 63.415 -2.011 -4.555 1.00 0.77 H new ATOM 0 HB3 PHE A 24 62.559 -2.092 -6.082 1.00 0.77 H new ATOM 0 HD1 PHE A 24 60.032 -2.906 -5.939 1.00 1.58 H new ATOM 0 HD2 PHE A 24 62.261 -1.299 -2.637 1.00 1.54 H new ATOM 0 HE1 PHE A 24 57.913 -2.344 -4.780 1.00 1.72 H new ATOM 0 HE2 PHE A 24 60.141 -0.738 -1.478 1.00 1.62 H new ATOM 0 HZ PHE A 24 57.966 -1.260 -2.551 1.00 1.25 H new ATOM 368 N ASP A 25 61.377 -4.519 -7.012 1.00 0.45 N ATOM 369 CA ASP A 25 60.216 -5.160 -7.695 1.00 0.53 C ATOM 370 C ASP A 25 60.376 -6.683 -7.690 1.00 0.52 C ATOM 371 O ASP A 25 59.451 -7.414 -7.985 1.00 0.60 O ATOM 372 CB ASP A 25 60.251 -4.620 -9.125 1.00 0.66 C ATOM 373 CG ASP A 25 59.833 -3.148 -9.128 1.00 0.98 C ATOM 374 OD1 ASP A 25 59.616 -2.613 -8.053 1.00 1.52 O ATOM 375 OD2 ASP A 25 59.740 -2.581 -10.203 1.00 1.55 O ATOM 0 H ASP A 25 61.988 -3.970 -7.617 1.00 0.45 H new ATOM 0 HA ASP A 25 59.270 -4.939 -7.200 1.00 0.53 H new ATOM 0 HB2 ASP A 25 61.254 -4.725 -9.540 1.00 0.66 H new ATOM 0 HB3 ASP A 25 59.581 -5.200 -9.760 1.00 0.66 H new ATOM 380 N ILE A 26 61.542 -7.166 -7.357 1.00 0.50 N ATOM 381 CA ILE A 26 61.760 -8.641 -7.334 1.00 0.63 C ATOM 382 C ILE A 26 61.960 -9.124 -5.895 1.00 0.70 C ATOM 383 O ILE A 26 62.139 -10.299 -5.643 1.00 0.94 O ATOM 384 CB ILE A 26 63.031 -8.867 -8.153 1.00 0.68 C ATOM 385 CG1 ILE A 26 62.903 -8.151 -9.500 1.00 0.72 C ATOM 386 CG2 ILE A 26 63.226 -10.365 -8.391 1.00 0.94 C ATOM 387 CD1 ILE A 26 64.272 -8.099 -10.180 1.00 0.69 C ATOM 0 H ILE A 26 62.353 -6.603 -7.100 1.00 0.50 H new ATOM 0 HA ILE A 26 60.910 -9.189 -7.739 1.00 0.63 H new ATOM 0 HB ILE A 26 63.888 -8.471 -7.609 1.00 0.68 H new ATOM 0 HG12 ILE A 26 62.189 -8.674 -10.136 1.00 0.72 H new ATOM 0 HG13 ILE A 26 62.519 -7.141 -9.353 1.00 0.72 H new ATOM 0 HG21 ILE A 26 64.132 -10.526 -8.975 1.00 0.94 H new ATOM 0 HG22 ILE A 26 63.316 -10.877 -7.433 1.00 0.94 H new ATOM 0 HG23 ILE A 26 62.369 -10.762 -8.935 1.00 0.94 H new ATOM 0 HD11 ILE A 26 64.183 -7.589 -11.139 1.00 0.69 H new ATOM 0 HD12 ILE A 26 64.973 -7.557 -9.545 1.00 0.69 H new ATOM 0 HD13 ILE A 26 64.637 -9.113 -10.341 1.00 0.69 H new ATOM 399 N PHE A 27 61.934 -8.226 -4.949 1.00 0.61 N ATOM 400 CA PHE A 27 62.124 -8.634 -3.529 1.00 0.79 C ATOM 401 C PHE A 27 60.889 -8.271 -2.703 1.00 0.76 C ATOM 402 O PHE A 27 60.632 -8.847 -1.665 1.00 1.03 O ATOM 403 CB PHE A 27 63.339 -7.842 -3.048 1.00 0.91 C ATOM 404 CG PHE A 27 64.602 -8.545 -3.482 1.00 1.45 C ATOM 405 CD1 PHE A 27 64.854 -9.857 -3.063 1.00 2.07 C ATOM 406 CD2 PHE A 27 65.523 -7.884 -4.302 1.00 2.23 C ATOM 407 CE1 PHE A 27 66.026 -10.508 -3.466 1.00 2.83 C ATOM 408 CE2 PHE A 27 66.696 -8.533 -4.704 1.00 3.07 C ATOM 409 CZ PHE A 27 66.947 -9.846 -4.287 1.00 3.21 C ATOM 0 H PHE A 27 61.789 -7.227 -5.098 1.00 0.61 H new ATOM 0 HA PHE A 27 62.270 -9.709 -3.426 1.00 0.79 H new ATOM 0 HB2 PHE A 27 63.313 -6.832 -3.457 1.00 0.91 H new ATOM 0 HB3 PHE A 27 63.318 -7.747 -1.962 1.00 0.91 H new ATOM 0 HD1 PHE A 27 64.144 -10.367 -2.429 1.00 2.07 H new ATOM 0 HD2 PHE A 27 65.329 -6.872 -4.625 1.00 2.23 H new ATOM 0 HE1 PHE A 27 66.220 -11.520 -3.144 1.00 2.83 H new ATOM 0 HE2 PHE A 27 67.407 -8.021 -5.336 1.00 3.07 H new ATOM 0 HZ PHE A 27 67.851 -10.348 -4.599 1.00 3.21 H new ATOM 419 N VAL A 28 60.122 -7.318 -3.155 1.00 0.63 N ATOM 420 CA VAL A 28 58.906 -6.919 -2.397 1.00 0.65 C ATOM 421 C VAL A 28 57.782 -7.932 -2.646 1.00 0.65 C ATOM 422 O VAL A 28 56.735 -7.873 -2.034 1.00 0.74 O ATOM 423 CB VAL A 28 58.554 -5.530 -2.945 1.00 0.68 C ATOM 424 CG1 VAL A 28 57.038 -5.319 -2.951 1.00 1.10 C ATOM 425 CG2 VAL A 28 59.205 -4.471 -2.057 1.00 1.47 C ATOM 0 H VAL A 28 60.286 -6.799 -4.017 1.00 0.63 H new ATOM 0 HA VAL A 28 59.058 -6.894 -1.318 1.00 0.65 H new ATOM 0 HB VAL A 28 58.921 -5.449 -3.968 1.00 0.68 H new ATOM 0 HG11 VAL A 28 56.810 -4.328 -3.343 1.00 1.10 H new ATOM 0 HG12 VAL A 28 56.568 -6.075 -3.580 1.00 1.10 H new ATOM 0 HG13 VAL A 28 56.655 -5.404 -1.934 1.00 1.10 H new ATOM 0 HG21 VAL A 28 58.962 -3.479 -2.437 1.00 1.47 H new ATOM 0 HG22 VAL A 28 58.832 -4.571 -1.038 1.00 1.47 H new ATOM 0 HG23 VAL A 28 60.287 -4.607 -2.062 1.00 1.47 H new ATOM 435 N LEU A 29 57.996 -8.861 -3.534 1.00 0.92 N ATOM 436 CA LEU A 29 56.944 -9.880 -3.814 1.00 0.99 C ATOM 437 C LEU A 29 56.450 -10.499 -2.505 1.00 0.99 C ATOM 438 O LEU A 29 55.308 -10.893 -2.385 1.00 1.10 O ATOM 439 CB LEU A 29 57.644 -10.933 -4.664 1.00 1.43 C ATOM 440 CG LEU A 29 57.546 -10.551 -6.141 1.00 1.74 C ATOM 441 CD1 LEU A 29 57.940 -9.083 -6.317 1.00 2.11 C ATOM 442 CD2 LEU A 29 58.492 -11.432 -6.961 1.00 2.45 C ATOM 0 H LEU A 29 58.853 -8.960 -4.078 1.00 0.92 H new ATOM 0 HA LEU A 29 56.075 -9.454 -4.315 1.00 0.99 H new ATOM 0 HB2 LEU A 29 58.690 -11.016 -4.369 1.00 1.43 H new ATOM 0 HB3 LEU A 29 57.188 -11.909 -4.500 1.00 1.43 H new ATOM 0 HG LEU A 29 56.522 -10.697 -6.485 1.00 1.74 H new ATOM 0 HD11 LEU A 29 57.870 -8.811 -7.370 1.00 2.11 H new ATOM 0 HD12 LEU A 29 57.268 -8.453 -5.734 1.00 2.11 H new ATOM 0 HD13 LEU A 29 58.964 -8.937 -5.972 1.00 2.11 H new ATOM 0 HD21 LEU A 29 58.422 -11.159 -8.014 1.00 2.45 H new ATOM 0 HD22 LEU A 29 59.516 -11.286 -6.616 1.00 2.45 H new ATOM 0 HD23 LEU A 29 58.213 -12.478 -6.838 1.00 2.45 H new ATOM 454 N GLY A 30 57.305 -10.582 -1.524 1.00 1.16 N ATOM 455 CA GLY A 30 56.888 -11.170 -0.220 1.00 1.58 C ATOM 456 C GLY A 30 56.680 -10.048 0.795 1.00 1.39 C ATOM 457 O GLY A 30 56.388 -10.286 1.950 1.00 1.89 O ATOM 0 H GLY A 30 58.274 -10.268 -1.569 1.00 1.16 H new ATOM 0 HA2 GLY A 30 55.967 -11.740 -0.343 1.00 1.58 H new ATOM 0 HA3 GLY A 30 57.648 -11.864 0.139 1.00 1.58 H new ATOM 461 N ALA A 31 56.829 -8.824 0.371 1.00 0.90 N ATOM 462 CA ALA A 31 56.640 -7.680 1.310 1.00 0.95 C ATOM 463 C ALA A 31 55.261 -7.761 1.968 1.00 1.15 C ATOM 464 O ALA A 31 54.604 -8.782 1.930 1.00 1.41 O ATOM 465 CB ALA A 31 56.747 -6.428 0.437 1.00 0.97 C ATOM 0 H ALA A 31 57.073 -8.565 -0.585 1.00 0.90 H new ATOM 0 HA ALA A 31 57.376 -7.679 2.114 1.00 0.95 H new ATOM 0 HB1 ALA A 31 56.618 -5.540 1.056 1.00 0.97 H new ATOM 0 HB2 ALA A 31 57.727 -6.399 -0.039 1.00 0.97 H new ATOM 0 HB3 ALA A 31 55.972 -6.451 -0.329 1.00 0.97 H new ATOM 471 N GLU A 32 54.818 -6.693 2.570 1.00 1.35 N ATOM 472 CA GLU A 32 53.481 -6.712 3.229 1.00 1.90 C ATOM 473 C GLU A 32 52.677 -5.476 2.819 1.00 2.05 C ATOM 474 O GLU A 32 51.475 -5.532 2.651 1.00 2.79 O ATOM 475 CB GLU A 32 53.776 -6.687 4.729 1.00 2.37 C ATOM 476 CG GLU A 32 52.514 -7.066 5.506 1.00 2.44 C ATOM 477 CD GLU A 32 52.574 -6.453 6.906 1.00 2.83 C ATOM 478 OE1 GLU A 32 53.282 -6.995 7.738 1.00 3.29 O ATOM 479 OE2 GLU A 32 51.909 -5.453 7.123 1.00 3.24 O ATOM 0 H GLU A 32 55.322 -5.809 2.635 1.00 1.35 H new ATOM 0 HA GLU A 32 52.892 -7.585 2.946 1.00 1.90 H new ATOM 0 HB2 GLU A 32 54.582 -7.382 4.963 1.00 2.37 H new ATOM 0 HB3 GLU A 32 54.115 -5.695 5.027 1.00 2.37 H new ATOM 0 HG2 GLU A 32 51.629 -6.710 4.979 1.00 2.44 H new ATOM 0 HG3 GLU A 32 52.429 -8.150 5.576 1.00 2.44 H new ATOM 486 N ASP A 33 53.334 -4.360 2.658 1.00 1.80 N ATOM 487 CA ASP A 33 52.612 -3.120 2.258 1.00 2.11 C ATOM 488 C ASP A 33 53.278 -2.495 1.029 1.00 1.47 C ATOM 489 O ASP A 33 53.029 -1.355 0.689 1.00 1.80 O ATOM 490 CB ASP A 33 52.728 -2.189 3.465 1.00 3.12 C ATOM 491 CG ASP A 33 51.333 -1.726 3.890 1.00 3.68 C ATOM 492 OD1 ASP A 33 50.431 -1.800 3.072 1.00 4.09 O ATOM 493 OD2 ASP A 33 51.190 -1.305 5.026 1.00 4.12 O ATOM 0 H ASP A 33 54.340 -4.254 2.786 1.00 1.80 H new ATOM 0 HA ASP A 33 51.573 -3.313 1.991 1.00 2.11 H new ATOM 0 HB2 ASP A 33 53.218 -2.706 4.290 1.00 3.12 H new ATOM 0 HB3 ASP A 33 53.348 -1.328 3.215 1.00 3.12 H new ATOM 498 N GLY A 34 54.123 -3.231 0.360 1.00 1.10 N ATOM 499 CA GLY A 34 54.804 -2.679 -0.845 1.00 1.40 C ATOM 500 C GLY A 34 56.106 -1.992 -0.427 1.00 1.17 C ATOM 501 O GLY A 34 56.330 -0.834 -0.717 1.00 1.39 O ATOM 0 H GLY A 34 54.371 -4.192 0.596 1.00 1.10 H new ATOM 0 HA2 GLY A 34 55.014 -3.479 -1.555 1.00 1.40 H new ATOM 0 HA3 GLY A 34 54.151 -1.967 -1.351 1.00 1.40 H new ATOM 505 N SER A 35 56.968 -2.698 0.254 1.00 0.84 N ATOM 506 CA SER A 35 58.254 -2.085 0.692 1.00 0.70 C ATOM 507 C SER A 35 59.276 -3.178 1.014 1.00 0.67 C ATOM 508 O SER A 35 59.150 -4.305 0.578 1.00 0.80 O ATOM 509 CB SER A 35 57.905 -1.289 1.947 1.00 0.75 C ATOM 510 OG SER A 35 57.256 -2.144 2.880 1.00 1.04 O ATOM 0 H SER A 35 56.837 -3.672 0.526 1.00 0.84 H new ATOM 0 HA SER A 35 58.696 -1.454 -0.079 1.00 0.70 H new ATOM 0 HB2 SER A 35 58.809 -0.869 2.388 1.00 0.75 H new ATOM 0 HB3 SER A 35 57.256 -0.451 1.692 1.00 0.75 H new ATOM 0 HG SER A 35 57.032 -1.637 3.688 1.00 1.04 H new ATOM 516 N ILE A 36 60.287 -2.855 1.772 1.00 0.69 N ATOM 517 CA ILE A 36 61.315 -3.882 2.117 1.00 0.78 C ATOM 518 C ILE A 36 61.851 -3.627 3.528 1.00 0.71 C ATOM 519 O ILE A 36 62.575 -2.681 3.765 1.00 0.98 O ATOM 520 CB ILE A 36 62.442 -3.728 1.080 1.00 1.00 C ATOM 521 CG1 ILE A 36 61.923 -3.053 -0.197 1.00 1.09 C ATOM 522 CG2 ILE A 36 62.981 -5.111 0.718 1.00 1.36 C ATOM 523 CD1 ILE A 36 63.030 -3.038 -1.253 1.00 1.22 C ATOM 0 H ILE A 36 60.447 -1.928 2.167 1.00 0.69 H new ATOM 0 HA ILE A 36 60.899 -4.889 2.099 1.00 0.78 H new ATOM 0 HB ILE A 36 63.228 -3.109 1.513 1.00 1.00 H new ATOM 0 HG12 ILE A 36 61.052 -3.588 -0.576 1.00 1.09 H new ATOM 0 HG13 ILE A 36 61.601 -2.035 0.022 1.00 1.09 H new ATOM 0 HG21 ILE A 36 63.780 -5.009 -0.016 1.00 1.36 H new ATOM 0 HG22 ILE A 36 63.371 -5.595 1.613 1.00 1.36 H new ATOM 0 HG23 ILE A 36 62.177 -5.716 0.299 1.00 1.36 H new ATOM 0 HD11 ILE A 36 62.661 -2.559 -2.160 1.00 1.22 H new ATOM 0 HD12 ILE A 36 63.888 -2.484 -0.873 1.00 1.22 H new ATOM 0 HD13 ILE A 36 63.330 -4.061 -1.480 1.00 1.22 H new ATOM 535 N SER A 37 61.498 -4.461 4.469 1.00 0.87 N ATOM 536 CA SER A 37 61.984 -4.262 5.865 1.00 0.87 C ATOM 537 C SER A 37 63.337 -4.953 6.066 1.00 0.76 C ATOM 538 O SER A 37 63.700 -5.854 5.336 1.00 0.87 O ATOM 539 CB SER A 37 60.918 -4.902 6.751 1.00 1.12 C ATOM 540 OG SER A 37 61.550 -5.615 7.805 1.00 1.52 O ATOM 0 H SER A 37 60.894 -5.271 4.331 1.00 0.87 H new ATOM 0 HA SER A 37 62.132 -3.208 6.101 1.00 0.87 H new ATOM 0 HB2 SER A 37 60.259 -4.135 7.159 1.00 1.12 H new ATOM 0 HB3 SER A 37 60.296 -5.576 6.162 1.00 1.12 H new ATOM 0 HG SER A 37 60.868 -6.026 8.377 1.00 1.52 H new ATOM 546 N THR A 38 64.083 -4.535 7.053 1.00 0.71 N ATOM 547 CA THR A 38 65.410 -5.165 7.304 1.00 0.65 C ATOM 548 C THR A 38 65.287 -6.691 7.298 1.00 0.70 C ATOM 549 O THR A 38 66.245 -7.398 7.057 1.00 1.37 O ATOM 550 CB THR A 38 65.828 -4.666 8.685 1.00 0.76 C ATOM 551 OG1 THR A 38 66.943 -5.419 9.144 1.00 1.55 O ATOM 552 CG2 THR A 38 64.661 -4.836 9.649 1.00 1.00 C ATOM 0 H THR A 38 63.830 -3.785 7.696 1.00 0.71 H new ATOM 0 HA THR A 38 66.140 -4.906 6.537 1.00 0.65 H new ATOM 0 HB THR A 38 66.106 -3.613 8.629 1.00 0.76 H new ATOM 0 HG1 THR A 38 67.212 -5.098 10.030 1.00 1.55 H new ATOM 0 HG21 THR A 38 64.952 -4.482 10.638 1.00 1.00 H new ATOM 0 HG22 THR A 38 63.808 -4.259 9.293 1.00 1.00 H new ATOM 0 HG23 THR A 38 64.387 -5.890 9.707 1.00 1.00 H new ATOM 560 N LYS A 39 64.115 -7.202 7.555 1.00 0.60 N ATOM 561 CA LYS A 39 63.934 -8.682 7.557 1.00 0.66 C ATOM 562 C LYS A 39 63.861 -9.191 6.117 1.00 0.64 C ATOM 563 O LYS A 39 64.334 -10.265 5.799 1.00 0.87 O ATOM 564 CB LYS A 39 62.610 -8.919 8.282 1.00 0.81 C ATOM 565 CG LYS A 39 62.776 -10.060 9.287 1.00 1.42 C ATOM 566 CD LYS A 39 63.274 -11.310 8.561 1.00 1.58 C ATOM 567 CE LYS A 39 62.300 -12.465 8.806 1.00 2.15 C ATOM 568 NZ LYS A 39 62.828 -13.162 10.011 1.00 2.80 N ATOM 0 H LYS A 39 63.276 -6.661 7.763 1.00 0.60 H new ATOM 0 HA LYS A 39 64.757 -9.206 8.043 1.00 0.66 H new ATOM 0 HB2 LYS A 39 62.297 -8.010 8.796 1.00 0.81 H new ATOM 0 HB3 LYS A 39 61.828 -9.164 7.563 1.00 0.81 H new ATOM 0 HG2 LYS A 39 63.483 -9.773 10.066 1.00 1.42 H new ATOM 0 HG3 LYS A 39 61.826 -10.267 9.779 1.00 1.42 H new ATOM 0 HD2 LYS A 39 63.360 -11.113 7.492 1.00 1.58 H new ATOM 0 HD3 LYS A 39 64.269 -11.578 8.916 1.00 1.58 H new ATOM 0 HE2 LYS A 39 61.287 -12.099 8.973 1.00 2.15 H new ATOM 0 HE3 LYS A 39 62.259 -13.136 7.948 1.00 2.15 H new ATOM 0 HZ1 LYS A 39 62.213 -13.968 10.243 1.00 2.80 H new ATOM 0 HZ2 LYS A 39 63.791 -13.505 9.820 1.00 2.80 H new ATOM 0 HZ3 LYS A 39 62.849 -12.500 10.813 1.00 2.80 H new ATOM 582 N GLU A 40 63.275 -8.420 5.246 1.00 0.63 N ATOM 583 CA GLU A 40 63.169 -8.841 3.821 1.00 0.68 C ATOM 584 C GLU A 40 64.230 -8.101 2.993 1.00 0.66 C ATOM 585 O GLU A 40 64.524 -8.464 1.872 1.00 0.83 O ATOM 586 CB GLU A 40 61.732 -8.454 3.418 1.00 0.86 C ATOM 587 CG GLU A 40 61.711 -7.734 2.064 1.00 1.05 C ATOM 588 CD GLU A 40 62.078 -8.718 0.953 1.00 1.54 C ATOM 589 OE1 GLU A 40 61.491 -9.787 0.917 1.00 1.92 O ATOM 590 OE2 GLU A 40 62.940 -8.387 0.156 1.00 2.32 O ATOM 0 H GLU A 40 62.863 -7.512 5.460 1.00 0.63 H new ATOM 0 HA GLU A 40 63.347 -9.904 3.658 1.00 0.68 H new ATOM 0 HB2 GLU A 40 61.112 -9.349 3.367 1.00 0.86 H new ATOM 0 HB3 GLU A 40 61.298 -7.809 4.182 1.00 0.86 H new ATOM 0 HG2 GLU A 40 60.722 -7.314 1.880 1.00 1.05 H new ATOM 0 HG3 GLU A 40 62.414 -6.901 2.073 1.00 1.05 H new ATOM 597 N LEU A 41 64.805 -7.066 3.545 1.00 0.73 N ATOM 598 CA LEU A 41 65.847 -6.298 2.801 1.00 0.80 C ATOM 599 C LEU A 41 67.197 -7.019 2.877 1.00 0.72 C ATOM 600 O LEU A 41 67.973 -7.001 1.943 1.00 0.81 O ATOM 601 CB LEU A 41 65.921 -4.947 3.514 1.00 1.10 C ATOM 602 CG LEU A 41 66.652 -3.938 2.627 1.00 1.23 C ATOM 603 CD1 LEU A 41 68.119 -4.348 2.488 1.00 1.94 C ATOM 604 CD2 LEU A 41 65.997 -3.911 1.245 1.00 1.83 C ATOM 0 H LEU A 41 64.598 -6.718 4.481 1.00 0.73 H new ATOM 0 HA LEU A 41 65.606 -6.192 1.743 1.00 0.80 H new ATOM 0 HB2 LEU A 41 64.917 -4.588 3.739 1.00 1.10 H new ATOM 0 HB3 LEU A 41 66.442 -5.055 4.465 1.00 1.10 H new ATOM 0 HG LEU A 41 66.594 -2.947 3.078 1.00 1.23 H new ATOM 0 HD11 LEU A 41 68.639 -3.629 1.856 1.00 1.94 H new ATOM 0 HD12 LEU A 41 68.586 -4.370 3.473 1.00 1.94 H new ATOM 0 HD13 LEU A 41 68.179 -5.338 2.036 1.00 1.94 H new ATOM 0 HD21 LEU A 41 66.516 -3.193 0.610 1.00 1.83 H new ATOM 0 HD22 LEU A 41 66.056 -4.902 0.795 1.00 1.83 H new ATOM 0 HD23 LEU A 41 64.951 -3.619 1.344 1.00 1.83 H new ATOM 616 N GLY A 42 67.484 -7.649 3.985 1.00 0.72 N ATOM 617 CA GLY A 42 68.785 -8.366 4.124 1.00 0.91 C ATOM 618 C GLY A 42 69.098 -9.129 2.834 1.00 0.78 C ATOM 619 O GLY A 42 70.233 -9.196 2.404 1.00 0.84 O ATOM 0 H GLY A 42 66.873 -7.698 4.800 1.00 0.72 H new ATOM 0 HA2 GLY A 42 69.582 -7.654 4.338 1.00 0.91 H new ATOM 0 HA3 GLY A 42 68.741 -9.058 4.965 1.00 0.91 H new ATOM 623 N LYS A 43 68.104 -9.705 2.215 1.00 0.77 N ATOM 624 CA LYS A 43 68.352 -10.464 0.955 1.00 0.86 C ATOM 625 C LYS A 43 68.780 -9.509 -0.164 1.00 0.79 C ATOM 626 O LYS A 43 69.727 -9.764 -0.881 1.00 0.99 O ATOM 627 CB LYS A 43 67.013 -11.120 0.619 1.00 0.95 C ATOM 628 CG LYS A 43 66.910 -12.465 1.341 1.00 1.34 C ATOM 629 CD LYS A 43 65.944 -13.379 0.585 1.00 2.13 C ATOM 630 CE LYS A 43 66.534 -14.788 0.498 1.00 2.65 C ATOM 631 NZ LYS A 43 65.438 -15.694 0.943 1.00 2.98 N ATOM 0 H LYS A 43 67.133 -9.683 2.526 1.00 0.77 H new ATOM 0 HA LYS A 43 69.150 -11.199 1.065 1.00 0.86 H new ATOM 0 HB2 LYS A 43 66.191 -10.470 0.920 1.00 0.95 H new ATOM 0 HB3 LYS A 43 66.927 -11.265 -0.458 1.00 0.95 H new ATOM 0 HG2 LYS A 43 67.893 -12.931 1.405 1.00 1.34 H new ATOM 0 HG3 LYS A 43 66.561 -12.315 2.363 1.00 1.34 H new ATOM 0 HD2 LYS A 43 64.981 -13.408 1.094 1.00 2.13 H new ATOM 0 HD3 LYS A 43 65.764 -12.987 -0.416 1.00 2.13 H new ATOM 0 HE2 LYS A 43 66.850 -15.021 -0.519 1.00 2.65 H new ATOM 0 HE3 LYS A 43 67.412 -14.888 1.136 1.00 2.65 H new ATOM 0 HZ1 LYS A 43 65.768 -16.680 0.910 1.00 2.98 H new ATOM 0 HZ2 LYS A 43 65.162 -15.453 1.916 1.00 2.98 H new ATOM 0 HZ3 LYS A 43 64.618 -15.582 0.313 1.00 2.98 H new ATOM 645 N VAL A 44 68.089 -8.414 -0.319 1.00 0.72 N ATOM 646 CA VAL A 44 68.457 -7.444 -1.392 1.00 0.93 C ATOM 647 C VAL A 44 69.897 -6.963 -1.203 1.00 0.89 C ATOM 648 O VAL A 44 70.514 -6.446 -2.113 1.00 1.06 O ATOM 649 CB VAL A 44 67.481 -6.281 -1.223 1.00 1.18 C ATOM 650 CG1 VAL A 44 67.976 -5.078 -2.029 1.00 1.72 C ATOM 651 CG2 VAL A 44 66.100 -6.700 -1.729 1.00 1.80 C ATOM 0 H VAL A 44 67.285 -8.148 0.250 1.00 0.72 H new ATOM 0 HA VAL A 44 68.399 -7.888 -2.386 1.00 0.93 H new ATOM 0 HB VAL A 44 67.416 -6.010 -0.169 1.00 1.18 H new ATOM 0 HG11 VAL A 44 67.280 -4.248 -1.909 1.00 1.72 H new ATOM 0 HG12 VAL A 44 68.961 -4.780 -1.670 1.00 1.72 H new ATOM 0 HG13 VAL A 44 68.040 -5.348 -3.083 1.00 1.72 H new ATOM 0 HG21 VAL A 44 65.402 -5.872 -1.609 1.00 1.80 H new ATOM 0 HG22 VAL A 44 66.165 -6.970 -2.783 1.00 1.80 H new ATOM 0 HG23 VAL A 44 65.747 -7.557 -1.156 1.00 1.80 H new ATOM 661 N MET A 45 70.437 -7.128 -0.027 1.00 0.86 N ATOM 662 CA MET A 45 71.836 -6.680 0.222 1.00 1.06 C ATOM 663 C MET A 45 72.829 -7.719 -0.306 1.00 1.08 C ATOM 664 O MET A 45 73.778 -7.394 -0.991 1.00 1.14 O ATOM 665 CB MET A 45 71.946 -6.561 1.741 1.00 1.34 C ATOM 666 CG MET A 45 71.161 -5.337 2.216 1.00 1.88 C ATOM 667 SD MET A 45 71.992 -4.607 3.649 1.00 2.45 S ATOM 668 CE MET A 45 72.674 -3.159 2.804 1.00 3.35 C ATOM 0 H MET A 45 69.969 -7.554 0.773 1.00 0.86 H new ATOM 0 HA MET A 45 72.064 -5.740 -0.281 1.00 1.06 H new ATOM 0 HB2 MET A 45 71.558 -7.462 2.216 1.00 1.34 H new ATOM 0 HB3 MET A 45 72.992 -6.472 2.034 1.00 1.34 H new ATOM 0 HG2 MET A 45 71.088 -4.604 1.412 1.00 1.88 H new ATOM 0 HG3 MET A 45 70.143 -5.624 2.480 1.00 1.88 H new ATOM 0 HE1 MET A 45 73.615 -2.873 3.274 1.00 3.35 H new ATOM 0 HE2 MET A 45 72.851 -3.399 1.756 1.00 3.35 H new ATOM 0 HE3 MET A 45 71.968 -2.332 2.873 1.00 3.35 H new ATOM 678 N ARG A 46 72.618 -8.966 0.014 1.00 1.20 N ATOM 679 CA ARG A 46 73.551 -10.027 -0.464 1.00 1.46 C ATOM 680 C ARG A 46 73.477 -10.155 -1.987 1.00 1.52 C ATOM 681 O ARG A 46 74.412 -10.589 -2.629 1.00 1.73 O ATOM 682 CB ARG A 46 73.063 -11.312 0.207 1.00 1.74 C ATOM 683 CG ARG A 46 74.225 -11.975 0.950 1.00 1.93 C ATOM 684 CD ARG A 46 75.212 -12.563 -0.062 1.00 2.48 C ATOM 685 NE ARG A 46 74.718 -13.943 -0.322 1.00 2.64 N ATOM 686 CZ ARG A 46 75.168 -14.943 0.388 1.00 3.08 C ATOM 687 NH1 ARG A 46 76.325 -15.476 0.103 1.00 3.41 N ATOM 688 NH2 ARG A 46 74.460 -15.409 1.380 1.00 3.64 N ATOM 0 H ARG A 46 71.841 -9.297 0.585 1.00 1.20 H new ATOM 0 HA ARG A 46 74.589 -9.805 -0.217 1.00 1.46 H new ATOM 0 HB2 ARG A 46 72.254 -11.087 0.902 1.00 1.74 H new ATOM 0 HB3 ARG A 46 72.659 -11.994 -0.541 1.00 1.74 H new ATOM 0 HG2 ARG A 46 74.729 -11.245 1.583 1.00 1.93 H new ATOM 0 HG3 ARG A 46 73.850 -12.760 1.606 1.00 1.93 H new ATOM 0 HD2 ARG A 46 75.237 -11.973 -0.978 1.00 2.48 H new ATOM 0 HD3 ARG A 46 76.226 -12.575 0.337 1.00 2.48 H new ATOM 0 HE ARG A 46 74.028 -14.108 -1.055 1.00 2.64 H new ATOM 0 HH11 ARG A 46 76.877 -15.112 -0.674 1.00 3.41 H new ATOM 0 HH12 ARG A 46 76.677 -16.257 0.657 1.00 3.41 H new ATOM 0 HH21 ARG A 46 73.555 -14.993 1.601 1.00 3.64 H new ATOM 0 HH22 ARG A 46 74.811 -16.190 1.935 1.00 3.64 H new ATOM 702 N MET A 47 72.371 -9.783 -2.573 1.00 1.46 N ATOM 703 CA MET A 47 72.243 -9.889 -4.055 1.00 1.73 C ATOM 704 C MET A 47 72.943 -8.706 -4.736 1.00 1.75 C ATOM 705 O MET A 47 73.272 -8.757 -5.904 1.00 2.01 O ATOM 706 CB MET A 47 70.734 -9.871 -4.330 1.00 1.70 C ATOM 707 CG MET A 47 70.215 -8.430 -4.339 1.00 1.96 C ATOM 708 SD MET A 47 70.337 -7.756 -6.014 1.00 1.94 S ATOM 709 CE MET A 47 69.072 -8.801 -6.776 1.00 1.52 C ATOM 0 H MET A 47 71.552 -9.411 -2.091 1.00 1.46 H new ATOM 0 HA MET A 47 72.710 -10.792 -4.447 1.00 1.73 H new ATOM 0 HB2 MET A 47 70.526 -10.346 -5.289 1.00 1.70 H new ATOM 0 HB3 MET A 47 70.211 -10.449 -3.568 1.00 1.70 H new ATOM 0 HG2 MET A 47 69.180 -8.403 -3.999 1.00 1.96 H new ATOM 0 HG3 MET A 47 70.794 -7.819 -3.647 1.00 1.96 H new ATOM 0 HE1 MET A 47 69.446 -9.194 -7.722 1.00 1.52 H new ATOM 0 HE2 MET A 47 68.833 -9.629 -6.108 1.00 1.52 H new ATOM 0 HE3 MET A 47 68.174 -8.211 -6.958 1.00 1.52 H new ATOM 719 N LEU A 48 73.172 -7.642 -4.015 1.00 1.60 N ATOM 720 CA LEU A 48 73.848 -6.462 -4.625 1.00 1.69 C ATOM 721 C LEU A 48 75.361 -6.546 -4.404 1.00 1.68 C ATOM 722 O LEU A 48 76.127 -5.824 -5.008 1.00 1.99 O ATOM 723 CB LEU A 48 73.265 -5.251 -3.897 1.00 1.73 C ATOM 724 CG LEU A 48 71.800 -5.072 -4.301 1.00 1.75 C ATOM 725 CD1 LEU A 48 71.160 -3.985 -3.437 1.00 1.86 C ATOM 726 CD2 LEU A 48 71.724 -4.663 -5.773 1.00 2.15 C ATOM 0 H LEU A 48 72.921 -7.539 -3.032 1.00 1.60 H new ATOM 0 HA LEU A 48 73.688 -6.405 -5.702 1.00 1.69 H new ATOM 0 HB2 LEU A 48 73.342 -5.389 -2.819 1.00 1.73 H new ATOM 0 HB3 LEU A 48 73.834 -4.355 -4.145 1.00 1.73 H new ATOM 0 HG LEU A 48 71.267 -6.011 -4.156 1.00 1.75 H new ATOM 0 HD11 LEU A 48 70.117 -3.858 -3.726 1.00 1.86 H new ATOM 0 HD12 LEU A 48 71.214 -4.276 -2.388 1.00 1.86 H new ATOM 0 HD13 LEU A 48 71.693 -3.045 -3.581 1.00 1.86 H new ATOM 0 HD21 LEU A 48 70.681 -4.535 -6.062 1.00 2.15 H new ATOM 0 HD22 LEU A 48 72.258 -3.724 -5.918 1.00 2.15 H new ATOM 0 HD23 LEU A 48 72.179 -5.438 -6.390 1.00 2.15 H new ATOM 738 N GLY A 49 75.797 -7.427 -3.543 1.00 1.63 N ATOM 739 CA GLY A 49 77.259 -7.558 -3.288 1.00 1.87 C ATOM 740 C GLY A 49 77.589 -7.017 -1.895 1.00 1.54 C ATOM 741 O GLY A 49 78.659 -6.492 -1.659 1.00 1.53 O ATOM 0 H GLY A 49 75.204 -8.060 -3.007 1.00 1.63 H new ATOM 0 HA2 GLY A 49 77.559 -8.603 -3.363 1.00 1.87 H new ATOM 0 HA3 GLY A 49 77.821 -7.010 -4.044 1.00 1.87 H new ATOM 745 N GLN A 50 76.677 -7.141 -0.969 1.00 1.37 N ATOM 746 CA GLN A 50 76.939 -6.634 0.408 1.00 1.17 C ATOM 747 C GLN A 50 76.682 -7.738 1.436 1.00 1.24 C ATOM 748 O GLN A 50 75.629 -8.344 1.461 1.00 1.75 O ATOM 749 CB GLN A 50 75.952 -5.482 0.599 1.00 1.29 C ATOM 750 CG GLN A 50 76.141 -4.458 -0.521 1.00 1.28 C ATOM 751 CD GLN A 50 76.099 -3.046 0.066 1.00 1.41 C ATOM 752 OE1 GLN A 50 75.004 -2.620 0.633 1.00 1.89 O flip ATOM 753 NE2 GLN A 50 77.074 -2.322 0.008 1.00 1.85 N flip ATOM 0 H GLN A 50 75.762 -7.571 -1.107 1.00 1.37 H new ATOM 0 HA GLN A 50 77.972 -6.312 0.541 1.00 1.17 H new ATOM 0 HB2 GLN A 50 74.930 -5.860 0.592 1.00 1.29 H new ATOM 0 HB3 GLN A 50 76.111 -5.010 1.569 1.00 1.29 H new ATOM 0 HG2 GLN A 50 77.093 -4.626 -1.025 1.00 1.28 H new ATOM 0 HG3 GLN A 50 75.359 -4.575 -1.271 1.00 1.28 H new ATOM 0 HE21 GLN A 50 77.930 -2.654 -0.435 1.00 1.85 H new ATOM 0 HE22 GLN A 50 77.036 -1.382 0.403 1.00 1.85 H new ATOM 762 N ASN A 51 77.638 -8.007 2.283 1.00 1.18 N ATOM 763 CA ASN A 51 77.449 -9.074 3.308 1.00 1.29 C ATOM 764 C ASN A 51 77.651 -8.503 4.715 1.00 1.07 C ATOM 765 O ASN A 51 78.498 -8.961 5.455 1.00 1.45 O ATOM 766 CB ASN A 51 78.524 -10.116 2.995 1.00 1.96 C ATOM 767 CG ASN A 51 77.951 -11.519 3.201 1.00 2.61 C ATOM 768 OD1 ASN A 51 77.351 -12.080 2.305 1.00 3.07 O ATOM 769 ND2 ASN A 51 78.112 -12.115 4.350 1.00 3.29 N ATOM 0 H ASN A 51 78.542 -7.535 2.310 1.00 1.18 H new ATOM 0 HA ASN A 51 76.446 -9.499 3.280 1.00 1.29 H new ATOM 0 HB2 ASN A 51 78.869 -10.000 1.968 1.00 1.96 H new ATOM 0 HB3 ASN A 51 79.389 -9.967 3.641 1.00 1.96 H new ATOM 0 HD21 ASN A 51 77.735 -13.051 4.496 1.00 3.29 H new ATOM 0 HD22 ASN A 51 78.615 -11.645 5.102 1.00 3.29 H new ATOM 776 N PRO A 52 76.858 -7.516 5.035 1.00 1.47 N ATOM 777 CA PRO A 52 76.944 -6.871 6.369 1.00 2.11 C ATOM 778 C PRO A 52 76.382 -7.798 7.449 1.00 1.79 C ATOM 779 O PRO A 52 76.225 -8.986 7.242 1.00 2.07 O ATOM 780 CB PRO A 52 76.077 -5.624 6.219 1.00 2.97 C ATOM 781 CG PRO A 52 75.119 -5.950 5.117 1.00 2.97 C ATOM 782 CD PRO A 52 75.819 -6.913 4.195 1.00 2.03 C ATOM 0 HA PRO A 52 77.966 -6.641 6.669 1.00 2.11 H new ATOM 0 HB2 PRO A 52 75.550 -5.396 7.145 1.00 2.97 H new ATOM 0 HB3 PRO A 52 76.681 -4.751 5.972 1.00 2.97 H new ATOM 0 HG2 PRO A 52 74.207 -6.393 5.517 1.00 2.97 H new ATOM 0 HG3 PRO A 52 74.826 -5.047 4.581 1.00 2.97 H new ATOM 0 HD2 PRO A 52 75.132 -7.666 3.808 1.00 2.03 H new ATOM 0 HD3 PRO A 52 76.249 -6.401 3.334 1.00 2.03 H new ATOM 790 N THR A 53 76.074 -7.265 8.601 1.00 1.42 N ATOM 791 CA THR A 53 75.519 -8.117 9.693 1.00 1.16 C ATOM 792 C THR A 53 74.066 -7.728 9.977 1.00 0.98 C ATOM 793 O THR A 53 73.604 -6.692 9.542 1.00 0.92 O ATOM 794 CB THR A 53 76.400 -7.824 10.908 1.00 1.19 C ATOM 795 OG1 THR A 53 77.069 -6.586 10.718 1.00 1.40 O ATOM 796 CG2 THR A 53 77.430 -8.942 11.077 1.00 1.36 C ATOM 0 H THR A 53 76.182 -6.278 8.833 1.00 1.42 H new ATOM 0 HA THR A 53 75.520 -9.176 9.434 1.00 1.16 H new ATOM 0 HB THR A 53 75.779 -7.769 11.802 1.00 1.19 H new ATOM 0 HG1 THR A 53 77.633 -6.396 11.497 1.00 1.40 H new ATOM 0 HG21 THR A 53 78.057 -8.731 11.943 1.00 1.36 H new ATOM 0 HG22 THR A 53 76.915 -9.892 11.224 1.00 1.36 H new ATOM 0 HG23 THR A 53 78.053 -9.001 10.184 1.00 1.36 H new ATOM 804 N PRO A 54 73.393 -8.578 10.703 1.00 0.99 N ATOM 805 CA PRO A 54 71.975 -8.325 11.054 1.00 1.04 C ATOM 806 C PRO A 54 71.877 -7.219 12.109 1.00 0.93 C ATOM 807 O PRO A 54 71.154 -6.256 11.949 1.00 0.94 O ATOM 808 CB PRO A 54 71.502 -9.660 11.622 1.00 1.19 C ATOM 809 CG PRO A 54 72.744 -10.331 12.116 1.00 1.18 C ATOM 810 CD PRO A 54 73.883 -9.843 11.260 1.00 1.10 C ATOM 0 HA PRO A 54 71.376 -7.992 10.206 1.00 1.04 H new ATOM 0 HB2 PRO A 54 70.784 -9.514 12.429 1.00 1.19 H new ATOM 0 HB3 PRO A 54 71.006 -10.260 10.859 1.00 1.19 H new ATOM 0 HG2 PRO A 54 72.920 -10.091 13.165 1.00 1.18 H new ATOM 0 HG3 PRO A 54 72.649 -11.415 12.049 1.00 1.18 H new ATOM 0 HD2 PRO A 54 74.789 -9.696 11.848 1.00 1.10 H new ATOM 0 HD3 PRO A 54 74.126 -10.558 10.474 1.00 1.10 H new ATOM 818 N GLU A 55 72.603 -7.350 13.187 1.00 0.98 N ATOM 819 CA GLU A 55 72.553 -6.306 14.250 1.00 1.08 C ATOM 820 C GLU A 55 72.923 -4.939 13.666 1.00 0.97 C ATOM 821 O GLU A 55 72.604 -3.908 14.224 1.00 1.01 O ATOM 822 CB GLU A 55 73.590 -6.745 15.285 1.00 1.28 C ATOM 823 CG GLU A 55 72.888 -7.475 16.433 1.00 2.15 C ATOM 824 CD GLU A 55 73.936 -8.034 17.397 1.00 2.57 C ATOM 825 OE1 GLU A 55 75.013 -7.467 17.465 1.00 3.14 O ATOM 826 OE2 GLU A 55 73.642 -9.022 18.052 1.00 2.81 O ATOM 0 H GLU A 55 73.227 -8.134 13.377 1.00 0.98 H new ATOM 0 HA GLU A 55 71.559 -6.207 14.686 1.00 1.08 H new ATOM 0 HB2 GLU A 55 74.328 -7.399 14.821 1.00 1.28 H new ATOM 0 HB3 GLU A 55 74.128 -5.877 15.667 1.00 1.28 H new ATOM 0 HG2 GLU A 55 72.222 -6.792 16.959 1.00 2.15 H new ATOM 0 HG3 GLU A 55 72.271 -8.283 16.041 1.00 2.15 H new ATOM 833 N GLU A 56 73.594 -4.924 12.546 1.00 0.92 N ATOM 834 CA GLU A 56 73.982 -3.624 11.927 1.00 0.94 C ATOM 835 C GLU A 56 72.775 -2.989 11.233 1.00 0.84 C ATOM 836 O GLU A 56 72.509 -1.812 11.380 1.00 0.94 O ATOM 837 CB GLU A 56 75.063 -3.981 10.905 1.00 1.06 C ATOM 838 CG GLU A 56 75.314 -2.782 9.987 1.00 1.60 C ATOM 839 CD GLU A 56 76.814 -2.653 9.713 1.00 1.83 C ATOM 840 OE1 GLU A 56 77.317 -3.419 8.909 1.00 2.08 O ATOM 841 OE2 GLU A 56 77.433 -1.791 10.313 1.00 2.50 O ATOM 0 H GLU A 56 73.890 -5.755 12.033 1.00 0.92 H new ATOM 0 HA GLU A 56 74.339 -2.904 12.664 1.00 0.94 H new ATOM 0 HB2 GLU A 56 75.984 -4.260 11.417 1.00 1.06 H new ATOM 0 HB3 GLU A 56 74.751 -4.844 10.317 1.00 1.06 H new ATOM 0 HG2 GLU A 56 74.772 -2.909 9.050 1.00 1.60 H new ATOM 0 HG3 GLU A 56 74.939 -1.870 10.452 1.00 1.60 H new ATOM 848 N LEU A 57 72.042 -3.760 10.478 1.00 0.73 N ATOM 849 CA LEU A 57 70.852 -3.201 9.774 1.00 0.78 C ATOM 850 C LEU A 57 69.972 -2.425 10.758 1.00 0.80 C ATOM 851 O LEU A 57 69.700 -1.255 10.574 1.00 0.89 O ATOM 852 CB LEU A 57 70.105 -4.419 9.231 1.00 0.85 C ATOM 853 CG LEU A 57 70.742 -4.863 7.914 1.00 0.84 C ATOM 854 CD1 LEU A 57 70.868 -6.388 7.896 1.00 1.30 C ATOM 855 CD2 LEU A 57 69.863 -4.413 6.746 1.00 1.10 C ATOM 0 H LEU A 57 72.215 -4.752 10.318 1.00 0.73 H new ATOM 0 HA LEU A 57 71.129 -2.507 8.981 1.00 0.78 H new ATOM 0 HB2 LEU A 57 70.139 -5.232 9.956 1.00 0.85 H new ATOM 0 HB3 LEU A 57 69.054 -4.175 9.075 1.00 0.85 H new ATOM 0 HG LEU A 57 71.731 -4.415 7.820 1.00 0.84 H new ATOM 0 HD11 LEU A 57 71.322 -6.705 6.957 1.00 1.30 H new ATOM 0 HD12 LEU A 57 71.493 -6.711 8.728 1.00 1.30 H new ATOM 0 HD13 LEU A 57 69.879 -6.836 7.990 1.00 1.30 H new ATOM 0 HD21 LEU A 57 70.316 -4.729 5.807 1.00 1.10 H new ATOM 0 HD22 LEU A 57 68.874 -4.862 6.841 1.00 1.10 H new ATOM 0 HD23 LEU A 57 69.771 -3.327 6.757 1.00 1.10 H new ATOM 867 N GLN A 58 69.524 -3.067 11.802 1.00 0.81 N ATOM 868 CA GLN A 58 68.662 -2.367 12.797 1.00 0.95 C ATOM 869 C GLN A 58 69.243 -0.988 13.125 1.00 0.99 C ATOM 870 O GLN A 58 68.544 0.006 13.129 1.00 1.13 O ATOM 871 CB GLN A 58 68.675 -3.263 14.035 1.00 1.09 C ATOM 872 CG GLN A 58 68.004 -2.534 15.201 1.00 1.25 C ATOM 873 CD GLN A 58 66.662 -1.962 14.742 1.00 1.41 C ATOM 874 OE1 GLN A 58 65.940 -2.632 13.886 1.00 1.97 O flip ATOM 875 NE2 GLN A 58 66.267 -0.895 15.166 1.00 1.74 N flip ATOM 0 H GLN A 58 69.718 -4.047 12.009 1.00 0.81 H new ATOM 0 HA GLN A 58 67.651 -2.204 12.424 1.00 0.95 H new ATOM 0 HB2 GLN A 58 68.152 -4.196 13.827 1.00 1.09 H new ATOM 0 HB3 GLN A 58 69.700 -3.524 14.297 1.00 1.09 H new ATOM 0 HG2 GLN A 58 67.853 -3.221 16.034 1.00 1.25 H new ATOM 0 HG3 GLN A 58 68.649 -1.732 15.562 1.00 1.25 H new ATOM 0 HE21 GLN A 58 66.832 -0.372 15.835 1.00 1.74 H new ATOM 0 HE22 GLN A 58 65.371 -0.522 14.853 1.00 1.74 H new ATOM 884 N GLU A 59 70.516 -0.921 13.402 1.00 0.97 N ATOM 885 CA GLU A 59 71.140 0.394 13.732 1.00 1.14 C ATOM 886 C GLU A 59 71.251 1.259 12.473 1.00 1.11 C ATOM 887 O GLU A 59 70.832 2.400 12.454 1.00 1.18 O ATOM 888 CB GLU A 59 72.530 0.049 14.269 1.00 1.23 C ATOM 889 CG GLU A 59 72.849 0.942 15.472 1.00 1.60 C ATOM 890 CD GLU A 59 73.902 0.262 16.348 1.00 2.19 C ATOM 891 OE1 GLU A 59 74.689 -0.501 15.812 1.00 2.75 O ATOM 892 OE2 GLU A 59 73.902 0.515 17.542 1.00 2.77 O ATOM 0 H GLU A 59 71.152 -1.719 13.414 1.00 0.97 H new ATOM 0 HA GLU A 59 70.552 0.960 14.455 1.00 1.14 H new ATOM 0 HB2 GLU A 59 72.568 -1.000 14.561 1.00 1.23 H new ATOM 0 HB3 GLU A 59 73.278 0.190 13.489 1.00 1.23 H new ATOM 0 HG2 GLU A 59 73.214 1.911 15.132 1.00 1.60 H new ATOM 0 HG3 GLU A 59 71.944 1.127 16.051 1.00 1.60 H new ATOM 899 N MET A 60 71.811 0.726 11.422 1.00 1.11 N ATOM 900 CA MET A 60 71.948 1.519 10.166 1.00 1.18 C ATOM 901 C MET A 60 70.611 2.171 9.803 1.00 1.13 C ATOM 902 O MET A 60 70.547 3.342 9.484 1.00 1.25 O ATOM 903 CB MET A 60 72.357 0.502 9.101 1.00 1.22 C ATOM 904 CG MET A 60 72.735 1.235 7.813 1.00 1.62 C ATOM 905 SD MET A 60 74.296 2.119 8.059 1.00 1.82 S ATOM 906 CE MET A 60 74.170 3.203 6.616 1.00 2.02 C ATOM 0 H MET A 60 72.180 -0.224 11.378 1.00 1.11 H new ATOM 0 HA MET A 60 72.676 2.324 10.262 1.00 1.18 H new ATOM 0 HB2 MET A 60 73.200 -0.092 9.455 1.00 1.22 H new ATOM 0 HB3 MET A 60 71.537 -0.190 8.911 1.00 1.22 H new ATOM 0 HG2 MET A 60 72.832 0.524 6.992 1.00 1.62 H new ATOM 0 HG3 MET A 60 71.947 1.936 7.536 1.00 1.62 H new ATOM 0 HE1 MET A 60 75.163 3.555 6.338 1.00 2.02 H new ATOM 0 HE2 MET A 60 73.734 2.651 5.783 1.00 2.02 H new ATOM 0 HE3 MET A 60 73.537 4.057 6.857 1.00 2.02 H new ATOM 916 N ILE A 61 69.543 1.422 9.847 1.00 1.04 N ATOM 917 CA ILE A 61 68.211 1.999 9.502 1.00 1.11 C ATOM 918 C ILE A 61 67.854 3.117 10.493 1.00 1.23 C ATOM 919 O ILE A 61 67.449 4.196 10.106 1.00 1.40 O ATOM 920 CB ILE A 61 67.237 0.808 9.595 1.00 1.13 C ATOM 921 CG1 ILE A 61 66.918 0.314 8.183 1.00 1.17 C ATOM 922 CG2 ILE A 61 65.931 1.216 10.289 1.00 1.36 C ATOM 923 CD1 ILE A 61 67.105 -1.201 8.115 1.00 1.14 C ATOM 0 H ILE A 61 69.534 0.436 10.107 1.00 1.04 H new ATOM 0 HA ILE A 61 68.181 2.455 8.512 1.00 1.11 H new ATOM 0 HB ILE A 61 67.709 0.019 10.181 1.00 1.13 H new ATOM 0 HG12 ILE A 61 65.894 0.576 7.918 1.00 1.17 H new ATOM 0 HG13 ILE A 61 67.570 0.804 7.460 1.00 1.17 H new ATOM 0 HG21 ILE A 61 65.263 0.357 10.341 1.00 1.36 H new ATOM 0 HG22 ILE A 61 66.149 1.567 11.297 1.00 1.36 H new ATOM 0 HG23 ILE A 61 65.452 2.014 9.722 1.00 1.36 H new ATOM 0 HD11 ILE A 61 66.877 -1.551 7.108 1.00 1.14 H new ATOM 0 HD12 ILE A 61 68.137 -1.452 8.362 1.00 1.14 H new ATOM 0 HD13 ILE A 61 66.435 -1.683 8.827 1.00 1.14 H new ATOM 935 N ASP A 62 67.997 2.865 11.765 1.00 1.23 N ATOM 936 CA ASP A 62 67.662 3.908 12.777 1.00 1.43 C ATOM 937 C ASP A 62 68.259 5.261 12.372 1.00 1.48 C ATOM 938 O ASP A 62 67.759 6.304 12.742 1.00 1.67 O ATOM 939 CB ASP A 62 68.294 3.412 14.078 1.00 1.51 C ATOM 940 CG ASP A 62 67.926 4.361 15.220 1.00 1.54 C ATOM 941 OD1 ASP A 62 68.559 5.398 15.329 1.00 1.79 O ATOM 942 OD2 ASP A 62 67.018 4.034 15.966 1.00 2.13 O ATOM 0 H ASP A 62 68.332 1.981 12.148 1.00 1.23 H new ATOM 0 HA ASP A 62 66.586 4.056 12.873 1.00 1.43 H new ATOM 0 HB2 ASP A 62 67.946 2.404 14.302 1.00 1.51 H new ATOM 0 HB3 ASP A 62 69.377 3.358 13.971 1.00 1.51 H new ATOM 947 N GLU A 63 69.326 5.251 11.620 1.00 1.41 N ATOM 948 CA GLU A 63 69.951 6.539 11.200 1.00 1.52 C ATOM 949 C GLU A 63 69.361 7.013 9.868 1.00 1.47 C ATOM 950 O GLU A 63 68.762 8.068 9.785 1.00 1.80 O ATOM 951 CB GLU A 63 71.440 6.224 11.045 1.00 1.55 C ATOM 952 CG GLU A 63 72.264 7.332 11.702 1.00 2.11 C ATOM 953 CD GLU A 63 73.754 7.007 11.569 1.00 2.26 C ATOM 954 OE1 GLU A 63 74.203 6.828 10.449 1.00 2.32 O ATOM 955 OE2 GLU A 63 74.419 6.944 12.590 1.00 2.93 O ATOM 0 H GLU A 63 69.791 4.410 11.279 1.00 1.41 H new ATOM 0 HA GLU A 63 69.774 7.336 11.923 1.00 1.52 H new ATOM 0 HB2 GLU A 63 71.670 5.263 11.505 1.00 1.55 H new ATOM 0 HB3 GLU A 63 71.698 6.141 9.989 1.00 1.55 H new ATOM 0 HG2 GLU A 63 72.046 8.290 11.230 1.00 2.11 H new ATOM 0 HG3 GLU A 63 71.994 7.426 12.754 1.00 2.11 H new ATOM 962 N VAL A 64 69.529 6.249 8.824 1.00 1.33 N ATOM 963 CA VAL A 64 68.980 6.663 7.501 1.00 1.29 C ATOM 964 C VAL A 64 67.449 6.667 7.538 1.00 1.21 C ATOM 965 O VAL A 64 66.805 7.450 6.870 1.00 1.50 O ATOM 966 CB VAL A 64 69.490 5.613 6.511 1.00 1.40 C ATOM 967 CG1 VAL A 64 70.974 5.346 6.770 1.00 1.69 C ATOM 968 CG2 VAL A 64 68.703 4.314 6.692 1.00 1.31 C ATOM 0 H VAL A 64 70.022 5.356 8.829 1.00 1.33 H new ATOM 0 HA VAL A 64 69.292 7.670 7.224 1.00 1.29 H new ATOM 0 HB VAL A 64 69.357 5.981 5.494 1.00 1.40 H new ATOM 0 HG11 VAL A 64 71.338 4.598 6.065 1.00 1.69 H new ATOM 0 HG12 VAL A 64 71.538 6.270 6.642 1.00 1.69 H new ATOM 0 HG13 VAL A 64 71.105 4.979 7.788 1.00 1.69 H new ATOM 0 HG21 VAL A 64 69.067 3.567 5.987 1.00 1.31 H new ATOM 0 HG22 VAL A 64 68.836 3.947 7.710 1.00 1.31 H new ATOM 0 HG23 VAL A 64 67.645 4.501 6.509 1.00 1.31 H new ATOM 978 N ASP A 65 66.863 5.798 8.315 1.00 1.27 N ATOM 979 CA ASP A 65 65.374 5.752 8.392 1.00 1.38 C ATOM 980 C ASP A 65 64.843 6.987 9.121 1.00 2.07 C ATOM 981 O ASP A 65 65.426 7.453 10.080 1.00 2.61 O ATOM 982 CB ASP A 65 65.058 4.484 9.185 1.00 1.38 C ATOM 983 CG ASP A 65 63.587 4.112 8.988 1.00 1.66 C ATOM 984 OD1 ASP A 65 62.888 4.868 8.333 1.00 1.47 O ATOM 985 OD2 ASP A 65 63.185 3.077 9.495 1.00 2.59 O ATOM 0 H ASP A 65 67.349 5.118 8.900 1.00 1.27 H new ATOM 0 HA ASP A 65 64.910 5.743 7.406 1.00 1.38 H new ATOM 0 HB2 ASP A 65 65.698 3.666 8.854 1.00 1.38 H new ATOM 0 HB3 ASP A 65 65.265 4.643 10.243 1.00 1.38 H new ATOM 990 N GLU A 66 63.738 7.521 8.675 1.00 2.65 N ATOM 991 CA GLU A 66 63.167 8.724 9.344 1.00 3.74 C ATOM 992 C GLU A 66 62.258 8.303 10.502 1.00 4.00 C ATOM 993 O GLU A 66 62.069 9.034 11.454 1.00 4.93 O ATOM 994 CB GLU A 66 62.360 9.434 8.256 1.00 4.58 C ATOM 995 CG GLU A 66 63.262 9.724 7.055 1.00 5.25 C ATOM 996 CD GLU A 66 63.508 11.230 6.951 1.00 6.17 C ATOM 997 OE1 GLU A 66 62.579 11.980 7.207 1.00 6.61 O ATOM 998 OE2 GLU A 66 64.618 11.608 6.618 1.00 6.67 O ATOM 0 H GLU A 66 63.206 7.176 7.876 1.00 2.65 H new ATOM 0 HA GLU A 66 63.938 9.369 9.766 1.00 3.74 H new ATOM 0 HB2 GLU A 66 61.518 8.813 7.950 1.00 4.58 H new ATOM 0 HB3 GLU A 66 61.945 10.364 8.645 1.00 4.58 H new ATOM 0 HG2 GLU A 66 64.210 9.197 7.163 1.00 5.25 H new ATOM 0 HG3 GLU A 66 62.796 9.357 6.140 1.00 5.25 H new ATOM 1005 N ASP A 67 61.696 7.127 10.428 1.00 3.32 N ATOM 1006 CA ASP A 67 60.800 6.657 11.525 1.00 3.69 C ATOM 1007 C ASP A 67 61.406 5.430 12.210 1.00 3.25 C ATOM 1008 O ASP A 67 60.898 4.946 13.202 1.00 3.49 O ATOM 1009 CB ASP A 67 59.487 6.291 10.834 1.00 3.68 C ATOM 1010 CG ASP A 67 59.781 5.470 9.578 1.00 3.08 C ATOM 1011 OD1 ASP A 67 60.612 4.580 9.657 1.00 2.33 O ATOM 1012 OD2 ASP A 67 59.171 5.744 8.557 1.00 3.83 O ATOM 0 H ASP A 67 61.818 6.471 9.656 1.00 3.32 H new ATOM 0 HA ASP A 67 60.657 7.414 12.296 1.00 3.69 H new ATOM 0 HB2 ASP A 67 58.853 5.721 11.513 1.00 3.68 H new ATOM 0 HB3 ASP A 67 58.939 7.195 10.570 1.00 3.68 H new ATOM 1017 N GLY A 68 62.490 4.923 11.689 1.00 2.98 N ATOM 1018 CA GLY A 68 63.129 3.728 12.311 1.00 3.17 C ATOM 1019 C GLY A 68 62.135 2.565 12.327 1.00 2.42 C ATOM 1020 O GLY A 68 62.204 1.690 13.167 1.00 3.05 O ATOM 0 H GLY A 68 62.961 5.284 10.860 1.00 2.98 H new ATOM 0 HA2 GLY A 68 64.022 3.449 11.752 1.00 3.17 H new ATOM 0 HA3 GLY A 68 63.448 3.961 13.327 1.00 3.17 H new ATOM 1024 N SER A 69 61.212 2.548 11.405 1.00 1.46 N ATOM 1025 CA SER A 69 60.214 1.439 11.368 1.00 1.52 C ATOM 1026 C SER A 69 60.859 0.164 10.818 1.00 1.64 C ATOM 1027 O SER A 69 60.234 -0.875 10.742 1.00 2.49 O ATOM 1028 CB SER A 69 59.112 1.928 10.432 1.00 2.44 C ATOM 1029 OG SER A 69 59.701 2.438 9.242 1.00 2.71 O ATOM 0 H SER A 69 61.105 3.253 10.676 1.00 1.46 H new ATOM 0 HA SER A 69 59.829 1.198 12.359 1.00 1.52 H new ATOM 0 HB2 SER A 69 58.432 1.111 10.194 1.00 2.44 H new ATOM 0 HB3 SER A 69 58.521 2.703 10.920 1.00 2.44 H new ATOM 0 HG SER A 69 59.452 1.869 8.484 1.00 2.71 H new ATOM 1035 N GLY A 70 62.103 0.236 10.431 1.00 1.28 N ATOM 1036 CA GLY A 70 62.782 -0.973 9.886 1.00 1.43 C ATOM 1037 C GLY A 70 62.222 -1.290 8.499 1.00 1.29 C ATOM 1038 O GLY A 70 62.362 -2.389 7.999 1.00 1.59 O ATOM 0 H GLY A 70 62.677 1.078 10.469 1.00 1.28 H new ATOM 0 HA2 GLY A 70 63.857 -0.803 9.826 1.00 1.43 H new ATOM 0 HA3 GLY A 70 62.630 -1.821 10.554 1.00 1.43 H new ATOM 1042 N THR A 71 61.587 -0.337 7.874 1.00 0.89 N ATOM 1043 CA THR A 71 61.018 -0.586 6.518 1.00 0.79 C ATOM 1044 C THR A 71 61.719 0.292 5.480 1.00 0.76 C ATOM 1045 O THR A 71 62.046 1.434 5.736 1.00 0.83 O ATOM 1046 CB THR A 71 59.541 -0.207 6.630 1.00 0.84 C ATOM 1047 OG1 THR A 71 59.427 1.080 7.221 1.00 1.45 O ATOM 1048 CG2 THR A 71 58.812 -1.235 7.498 1.00 1.08 C ATOM 0 H THR A 71 61.437 0.602 8.242 1.00 0.89 H new ATOM 0 HA THR A 71 61.150 -1.620 6.200 1.00 0.79 H new ATOM 0 HB THR A 71 59.094 -0.192 5.636 1.00 0.84 H new ATOM 0 HG1 THR A 71 60.164 1.648 6.913 1.00 1.45 H new ATOM 0 HG21 THR A 71 57.759 -0.963 7.577 1.00 1.08 H new ATOM 0 HG22 THR A 71 58.899 -2.222 7.044 1.00 1.08 H new ATOM 0 HG23 THR A 71 59.258 -1.253 8.493 1.00 1.08 H new ATOM 1056 N VAL A 72 61.951 -0.233 4.308 1.00 0.73 N ATOM 1057 CA VAL A 72 62.631 0.571 3.251 1.00 0.77 C ATOM 1058 C VAL A 72 61.833 0.505 1.947 1.00 0.80 C ATOM 1059 O VAL A 72 61.368 -0.543 1.544 1.00 1.00 O ATOM 1060 CB VAL A 72 64.002 -0.084 3.078 1.00 0.85 C ATOM 1061 CG1 VAL A 72 64.624 0.365 1.755 1.00 1.13 C ATOM 1062 CG2 VAL A 72 64.913 0.331 4.235 1.00 1.13 C ATOM 0 H VAL A 72 61.700 -1.183 4.036 1.00 0.73 H new ATOM 0 HA VAL A 72 62.715 1.624 3.519 1.00 0.77 H new ATOM 0 HB VAL A 72 63.887 -1.168 3.073 1.00 0.85 H new ATOM 0 HG11 VAL A 72 65.601 -0.103 1.635 1.00 1.13 H new ATOM 0 HG12 VAL A 72 63.976 0.070 0.930 1.00 1.13 H new ATOM 0 HG13 VAL A 72 64.739 1.449 1.756 1.00 1.13 H new ATOM 0 HG21 VAL A 72 65.891 -0.135 4.113 1.00 1.13 H new ATOM 0 HG22 VAL A 72 65.026 1.415 4.239 1.00 1.13 H new ATOM 0 HG23 VAL A 72 64.472 0.009 5.179 1.00 1.13 H new ATOM 1072 N ASP A 73 61.672 1.616 1.281 1.00 0.77 N ATOM 1073 CA ASP A 73 60.904 1.612 0.003 1.00 0.83 C ATOM 1074 C ASP A 73 61.747 2.216 -1.123 1.00 0.87 C ATOM 1075 O ASP A 73 62.920 2.486 -0.959 1.00 0.87 O ATOM 1076 CB ASP A 73 59.673 2.478 0.275 1.00 0.85 C ATOM 1077 CG ASP A 73 58.511 2.000 -0.596 1.00 1.80 C ATOM 1078 OD1 ASP A 73 58.775 1.422 -1.638 1.00 2.47 O ATOM 1079 OD2 ASP A 73 57.375 2.217 -0.207 1.00 2.57 O ATOM 0 H ASP A 73 62.038 2.524 1.566 1.00 0.77 H new ATOM 0 HA ASP A 73 60.631 0.604 -0.310 1.00 0.83 H new ATOM 0 HB2 ASP A 73 59.400 2.420 1.329 1.00 0.85 H new ATOM 0 HB3 ASP A 73 59.896 3.523 0.061 1.00 0.85 H new ATOM 1084 N PHE A 74 61.156 2.431 -2.266 1.00 0.94 N ATOM 1085 CA PHE A 74 61.921 3.017 -3.405 1.00 0.98 C ATOM 1086 C PHE A 74 62.750 4.213 -2.928 1.00 0.86 C ATOM 1087 O PHE A 74 63.746 4.567 -3.526 1.00 0.83 O ATOM 1088 CB PHE A 74 60.854 3.464 -4.407 1.00 1.12 C ATOM 1089 CG PHE A 74 61.464 4.419 -5.405 1.00 1.33 C ATOM 1090 CD1 PHE A 74 62.677 4.102 -6.026 1.00 1.97 C ATOM 1091 CD2 PHE A 74 60.814 5.621 -5.709 1.00 2.22 C ATOM 1092 CE1 PHE A 74 63.242 4.989 -6.951 1.00 2.84 C ATOM 1093 CE2 PHE A 74 61.378 6.508 -6.634 1.00 3.01 C ATOM 1094 CZ PHE A 74 62.592 6.192 -7.256 1.00 3.18 C ATOM 0 H PHE A 74 60.176 2.226 -2.461 1.00 0.94 H new ATOM 0 HA PHE A 74 62.620 2.306 -3.844 1.00 0.98 H new ATOM 0 HB2 PHE A 74 60.440 2.598 -4.923 1.00 1.12 H new ATOM 0 HB3 PHE A 74 60.029 3.947 -3.884 1.00 1.12 H new ATOM 0 HD1 PHE A 74 63.177 3.174 -5.792 1.00 1.97 H new ATOM 0 HD2 PHE A 74 59.877 5.864 -5.230 1.00 2.22 H new ATOM 0 HE1 PHE A 74 64.179 4.745 -7.429 1.00 2.84 H new ATOM 0 HE2 PHE A 74 60.877 7.436 -6.868 1.00 3.01 H new ATOM 0 HZ PHE A 74 63.027 6.875 -7.970 1.00 3.18 H new ATOM 1104 N ASP A 75 62.348 4.841 -1.858 1.00 0.83 N ATOM 1105 CA ASP A 75 63.115 6.014 -1.351 1.00 0.76 C ATOM 1106 C ASP A 75 64.224 5.555 -0.400 1.00 0.69 C ATOM 1107 O ASP A 75 65.392 5.592 -0.731 1.00 0.65 O ATOM 1108 CB ASP A 75 62.089 6.868 -0.605 1.00 0.81 C ATOM 1109 CG ASP A 75 61.926 8.210 -1.319 1.00 0.99 C ATOM 1110 OD1 ASP A 75 61.290 8.232 -2.360 1.00 1.49 O ATOM 1111 OD2 ASP A 75 62.441 9.195 -0.814 1.00 1.57 O ATOM 0 H ASP A 75 61.522 4.593 -1.313 1.00 0.83 H new ATOM 0 HA ASP A 75 63.598 6.567 -2.156 1.00 0.76 H new ATOM 0 HB2 ASP A 75 61.132 6.349 -0.561 1.00 0.81 H new ATOM 0 HB3 ASP A 75 62.413 7.028 0.423 1.00 0.81 H new ATOM 1116 N GLU A 76 63.867 5.126 0.779 1.00 0.77 N ATOM 1117 CA GLU A 76 64.902 4.669 1.750 1.00 0.78 C ATOM 1118 C GLU A 76 65.894 3.729 1.063 1.00 0.70 C ATOM 1119 O GLU A 76 67.078 3.754 1.335 1.00 0.70 O ATOM 1120 CB GLU A 76 64.126 3.929 2.838 1.00 0.95 C ATOM 1121 CG GLU A 76 63.081 4.868 3.445 1.00 1.51 C ATOM 1122 CD GLU A 76 62.650 4.338 4.814 1.00 1.45 C ATOM 1123 OE1 GLU A 76 63.301 4.675 5.790 1.00 1.72 O ATOM 1124 OE2 GLU A 76 61.676 3.604 4.864 1.00 1.94 O ATOM 0 H GLU A 76 62.905 5.072 1.112 1.00 0.77 H new ATOM 0 HA GLU A 76 65.481 5.498 2.156 1.00 0.78 H new ATOM 0 HB2 GLU A 76 63.640 3.048 2.418 1.00 0.95 H new ATOM 0 HB3 GLU A 76 64.809 3.578 3.612 1.00 0.95 H new ATOM 0 HG2 GLU A 76 63.494 5.872 3.546 1.00 1.51 H new ATOM 0 HG3 GLU A 76 62.217 4.943 2.784 1.00 1.51 H new ATOM 1131 N PHE A 77 65.423 2.897 0.174 1.00 0.72 N ATOM 1132 CA PHE A 77 66.344 1.957 -0.526 1.00 0.73 C ATOM 1133 C PHE A 77 67.502 2.730 -1.164 1.00 0.67 C ATOM 1134 O PHE A 77 68.649 2.541 -0.817 1.00 0.69 O ATOM 1135 CB PHE A 77 65.491 1.283 -1.601 1.00 0.84 C ATOM 1136 CG PHE A 77 66.233 0.088 -2.156 1.00 0.97 C ATOM 1137 CD1 PHE A 77 66.903 -0.783 -1.289 1.00 1.32 C ATOM 1138 CD2 PHE A 77 66.252 -0.146 -3.536 1.00 1.83 C ATOM 1139 CE1 PHE A 77 67.591 -1.889 -1.801 1.00 1.48 C ATOM 1140 CE2 PHE A 77 66.940 -1.253 -4.049 1.00 2.03 C ATOM 1141 CZ PHE A 77 67.610 -2.124 -3.181 1.00 1.46 C ATOM 0 H PHE A 77 64.442 2.828 -0.097 1.00 0.72 H new ATOM 0 HA PHE A 77 66.784 1.229 0.156 1.00 0.73 H new ATOM 0 HB2 PHE A 77 64.537 0.968 -1.179 1.00 0.84 H new ATOM 0 HB3 PHE A 77 65.268 1.990 -2.400 1.00 0.84 H new ATOM 0 HD1 PHE A 77 66.889 -0.601 -0.224 1.00 1.32 H new ATOM 0 HD2 PHE A 77 65.736 0.527 -4.205 1.00 1.83 H new ATOM 0 HE1 PHE A 77 68.107 -2.561 -1.132 1.00 1.48 H new ATOM 0 HE2 PHE A 77 66.954 -1.435 -5.114 1.00 2.03 H new ATOM 0 HZ PHE A 77 68.141 -2.977 -3.576 1.00 1.46 H new ATOM 1151 N LEU A 78 67.211 3.598 -2.094 1.00 0.66 N ATOM 1152 CA LEU A 78 68.303 4.377 -2.749 1.00 0.68 C ATOM 1153 C LEU A 78 69.044 5.221 -1.709 1.00 0.62 C ATOM 1154 O LEU A 78 70.193 5.571 -1.886 1.00 0.64 O ATOM 1155 CB LEU A 78 67.598 5.270 -3.772 1.00 0.77 C ATOM 1156 CG LEU A 78 66.748 4.407 -4.711 1.00 0.96 C ATOM 1157 CD1 LEU A 78 66.339 5.232 -5.934 1.00 1.55 C ATOM 1158 CD2 LEU A 78 67.558 3.190 -5.170 1.00 1.41 C ATOM 0 H LEU A 78 66.269 3.802 -2.428 1.00 0.66 H new ATOM 0 HA LEU A 78 69.046 3.734 -3.221 1.00 0.68 H new ATOM 0 HB2 LEU A 78 66.968 5.998 -3.261 1.00 0.77 H new ATOM 0 HB3 LEU A 78 68.334 5.833 -4.346 1.00 0.77 H new ATOM 0 HG LEU A 78 65.857 4.071 -4.181 1.00 0.96 H new ATOM 0 HD11 LEU A 78 65.735 4.618 -6.602 1.00 1.55 H new ATOM 0 HD12 LEU A 78 65.759 6.097 -5.612 1.00 1.55 H new ATOM 0 HD13 LEU A 78 67.232 5.569 -6.460 1.00 1.55 H new ATOM 0 HD21 LEU A 78 66.950 2.579 -5.837 1.00 1.41 H new ATOM 0 HD22 LEU A 78 68.451 3.525 -5.698 1.00 1.41 H new ATOM 0 HD23 LEU A 78 67.850 2.599 -4.302 1.00 1.41 H new ATOM 1170 N VAL A 79 68.397 5.544 -0.624 1.00 0.59 N ATOM 1171 CA VAL A 79 69.072 6.358 0.427 1.00 0.61 C ATOM 1172 C VAL A 79 69.934 5.453 1.309 1.00 0.63 C ATOM 1173 O VAL A 79 70.791 5.911 2.038 1.00 0.68 O ATOM 1174 CB VAL A 79 67.938 6.980 1.240 1.00 0.63 C ATOM 1175 CG1 VAL A 79 68.518 7.976 2.246 1.00 0.73 C ATOM 1176 CG2 VAL A 79 66.975 7.708 0.299 1.00 0.70 C ATOM 0 H VAL A 79 67.433 5.281 -0.419 1.00 0.59 H new ATOM 0 HA VAL A 79 69.730 7.119 0.006 1.00 0.61 H new ATOM 0 HB VAL A 79 67.401 6.196 1.774 1.00 0.63 H new ATOM 0 HG11 VAL A 79 67.709 8.420 2.826 1.00 0.73 H new ATOM 0 HG12 VAL A 79 69.204 7.458 2.917 1.00 0.73 H new ATOM 0 HG13 VAL A 79 69.055 8.761 1.713 1.00 0.73 H new ATOM 0 HG21 VAL A 79 66.166 8.152 0.879 1.00 0.70 H new ATOM 0 HG22 VAL A 79 67.511 8.492 -0.235 1.00 0.70 H new ATOM 0 HG23 VAL A 79 66.561 6.999 -0.418 1.00 0.70 H new ATOM 1186 N MET A 80 69.712 4.168 1.245 1.00 0.65 N ATOM 1187 CA MET A 80 70.518 3.228 2.076 1.00 0.72 C ATOM 1188 C MET A 80 71.909 3.044 1.464 1.00 0.71 C ATOM 1189 O MET A 80 72.804 2.504 2.084 1.00 0.76 O ATOM 1190 CB MET A 80 69.739 1.911 2.054 1.00 0.80 C ATOM 1191 CG MET A 80 69.350 1.524 3.482 1.00 1.12 C ATOM 1192 SD MET A 80 70.038 -0.105 3.874 1.00 2.17 S ATOM 1193 CE MET A 80 68.466 -0.961 4.143 1.00 2.77 C ATOM 0 H MET A 80 69.007 3.728 0.653 1.00 0.65 H new ATOM 0 HA MET A 80 70.665 3.595 3.092 1.00 0.72 H new ATOM 0 HB2 MET A 80 68.846 2.015 1.438 1.00 0.80 H new ATOM 0 HB3 MET A 80 70.346 1.125 1.605 1.00 0.80 H new ATOM 0 HG2 MET A 80 69.723 2.267 4.186 1.00 1.12 H new ATOM 0 HG3 MET A 80 68.265 1.506 3.583 1.00 1.12 H new ATOM 0 HE1 MET A 80 68.655 -2.018 4.332 1.00 2.77 H new ATOM 0 HE2 MET A 80 67.956 -0.524 5.002 1.00 2.77 H new ATOM 0 HE3 MET A 80 67.839 -0.857 3.258 1.00 2.77 H new ATOM 1203 N MET A 81 72.101 3.499 0.255 1.00 0.69 N ATOM 1204 CA MET A 81 73.444 3.357 -0.388 1.00 0.74 C ATOM 1205 C MET A 81 74.164 4.705 -0.376 1.00 0.75 C ATOM 1206 O MET A 81 75.374 4.776 -0.453 1.00 0.82 O ATOM 1207 CB MET A 81 73.227 2.880 -1.843 1.00 0.73 C ATOM 1208 CG MET A 81 71.739 2.696 -2.175 1.00 0.89 C ATOM 1209 SD MET A 81 71.065 1.323 -1.205 1.00 1.41 S ATOM 1210 CE MET A 81 72.102 0.016 -1.906 1.00 1.21 C ATOM 0 H MET A 81 71.392 3.961 -0.314 1.00 0.69 H new ATOM 0 HA MET A 81 74.056 2.636 0.155 1.00 0.74 H new ATOM 0 HB2 MET A 81 73.664 3.604 -2.530 1.00 0.73 H new ATOM 0 HB3 MET A 81 73.752 1.937 -1.997 1.00 0.73 H new ATOM 0 HG2 MET A 81 71.191 3.613 -1.956 1.00 0.89 H new ATOM 0 HG3 MET A 81 71.615 2.497 -3.240 1.00 0.89 H new ATOM 0 HE1 MET A 81 71.540 -0.918 -1.936 1.00 1.21 H new ATOM 0 HE2 MET A 81 72.401 0.292 -2.917 1.00 1.21 H new ATOM 0 HE3 MET A 81 72.990 -0.115 -1.288 1.00 1.21 H new ATOM 1220 N VAL A 82 73.430 5.779 -0.274 1.00 0.72 N ATOM 1221 CA VAL A 82 74.076 7.121 -0.249 1.00 0.78 C ATOM 1222 C VAL A 82 74.800 7.323 1.083 1.00 0.81 C ATOM 1223 O VAL A 82 75.635 8.194 1.223 1.00 0.93 O ATOM 1224 CB VAL A 82 72.926 8.118 -0.393 1.00 0.80 C ATOM 1225 CG1 VAL A 82 73.454 9.538 -0.189 1.00 1.08 C ATOM 1226 CG2 VAL A 82 72.320 7.996 -1.792 1.00 1.36 C ATOM 0 H VAL A 82 72.412 5.785 -0.207 1.00 0.72 H new ATOM 0 HA VAL A 82 74.817 7.242 -1.039 1.00 0.78 H new ATOM 0 HB VAL A 82 72.163 7.904 0.355 1.00 0.80 H new ATOM 0 HG11 VAL A 82 72.634 10.249 -0.292 1.00 1.08 H new ATOM 0 HG12 VAL A 82 73.888 9.625 0.807 1.00 1.08 H new ATOM 0 HG13 VAL A 82 74.217 9.753 -0.937 1.00 1.08 H new ATOM 0 HG21 VAL A 82 71.500 8.706 -1.896 1.00 1.36 H new ATOM 0 HG22 VAL A 82 73.084 8.211 -2.539 1.00 1.36 H new ATOM 0 HG23 VAL A 82 71.944 6.983 -1.939 1.00 1.36 H new ATOM 1236 N ARG A 83 74.486 6.520 2.062 1.00 0.79 N ATOM 1237 CA ARG A 83 75.153 6.657 3.388 1.00 0.85 C ATOM 1238 C ARG A 83 76.120 5.491 3.610 1.00 0.90 C ATOM 1239 O ARG A 83 76.984 5.542 4.463 1.00 1.00 O ATOM 1240 CB ARG A 83 74.016 6.613 4.410 1.00 0.87 C ATOM 1241 CG ARG A 83 73.742 8.025 4.931 1.00 1.07 C ATOM 1242 CD ARG A 83 72.765 7.955 6.106 1.00 0.92 C ATOM 1243 NE ARG A 83 72.721 9.339 6.653 1.00 1.62 N ATOM 1244 CZ ARG A 83 73.826 9.939 7.002 1.00 1.83 C ATOM 1245 NH1 ARG A 83 74.491 10.643 6.128 1.00 2.14 N ATOM 1246 NH2 ARG A 83 74.268 9.833 8.226 1.00 2.49 N ATOM 0 H ARG A 83 73.794 5.773 2.001 1.00 0.79 H new ATOM 0 HA ARG A 83 75.735 7.575 3.467 1.00 0.85 H new ATOM 0 HB2 ARG A 83 73.116 6.202 3.951 1.00 0.87 H new ATOM 0 HB3 ARG A 83 74.281 5.954 5.237 1.00 0.87 H new ATOM 0 HG2 ARG A 83 74.674 8.495 5.246 1.00 1.07 H new ATOM 0 HG3 ARG A 83 73.327 8.643 4.135 1.00 1.07 H new ATOM 0 HD2 ARG A 83 71.778 7.628 5.780 1.00 0.92 H new ATOM 0 HD3 ARG A 83 73.104 7.243 6.859 1.00 0.92 H new ATOM 0 HE ARG A 83 71.827 9.819 6.755 1.00 1.62 H new ATOM 0 HH11 ARG A 83 74.147 10.725 5.171 1.00 2.14 H new ATOM 0 HH12 ARG A 83 75.355 11.112 6.401 1.00 2.14 H new ATOM 0 HH21 ARG A 83 73.750 9.281 8.909 1.00 2.49 H new ATOM 0 HH22 ARG A 83 75.132 10.302 8.499 1.00 2.49 H new ATOM 1260 N SER A 84 75.980 4.439 2.850 1.00 0.92 N ATOM 1261 CA SER A 84 76.889 3.270 3.020 1.00 1.01 C ATOM 1262 C SER A 84 77.913 3.221 1.881 1.00 1.06 C ATOM 1263 O SER A 84 78.803 2.395 1.870 1.00 1.38 O ATOM 1264 CB SER A 84 75.975 2.046 2.969 1.00 1.04 C ATOM 1265 OG SER A 84 76.712 0.894 3.355 1.00 1.52 O ATOM 0 H SER A 84 75.276 4.339 2.119 1.00 0.92 H new ATOM 0 HA SER A 84 77.453 3.321 3.951 1.00 1.01 H new ATOM 0 HB2 SER A 84 75.123 2.186 3.634 1.00 1.04 H new ATOM 0 HB3 SER A 84 75.577 1.917 1.963 1.00 1.04 H new ATOM 0 HG SER A 84 77.630 0.965 3.019 1.00 1.52 H new ATOM 1271 N MET A 85 77.791 4.100 0.924 1.00 0.00 N ATOM 1272 CA MET A 85 78.758 4.102 -0.212 1.00 0.00 C ATOM 1273 C MET A 85 80.083 4.737 0.222 1.00 0.00 C ATOM 1274 O MET A 85 81.135 4.413 -0.292 1.00 0.00 O ATOM 1275 CB MET A 85 78.089 4.944 -1.299 1.00 0.00 C ATOM 1276 CG MET A 85 77.427 4.023 -2.326 1.00 0.00 C ATOM 1277 SD MET A 85 77.708 4.675 -3.991 1.00 0.00 S ATOM 1278 CE MET A 85 76.184 4.051 -4.740 1.00 0.00 C ATOM 0 H MET A 85 77.066 4.816 0.879 1.00 0.00 H new ATOM 0 HA MET A 85 78.989 3.095 -0.561 1.00 0.00 H new ATOM 0 HB2 MET A 85 77.345 5.605 -0.855 1.00 0.00 H new ATOM 0 HB3 MET A 85 78.828 5.579 -1.788 1.00 0.00 H new ATOM 0 HG2 MET A 85 77.836 3.016 -2.244 1.00 0.00 H new ATOM 0 HG3 MET A 85 76.358 3.949 -2.128 1.00 0.00 H new ATOM 0 HE1 MET A 85 76.321 3.954 -5.817 1.00 0.00 H new ATOM 0 HE2 MET A 85 75.942 3.077 -4.316 1.00 0.00 H new ATOM 0 HE3 MET A 85 75.369 4.746 -4.539 1.00 0.00 H new