USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 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 55 THR OG1 : rot 133:sc= 1.16 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.981 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.297 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.199 X(o=0.5,f=0.18) USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= 0.388 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 6 LYS NZ :NH3+ 176:sc= 0.204 (180deg=-0.0132) USER MOD Set 4.2: A 12 THR OG1 : rot 159:sc= 0.223 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0.574 (180deg=0.51) USER MOD Single : A 2 GLN : amide:sc= -0.344 X(o=-0.34,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -137:sc= 0.652 (180deg=-1.04!) USER MOD Single : A 14 THR OG1 : rot -76:sc= 0.00627 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0245 USER MOD Single : A 27 LYS NZ :NH3+ -173:sc= 1.69 (180deg=1.35) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0327 K(o=-0.033,f=-1.1!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.385 K(o=-0.39,f=-3.2!) USER MOD Single : A 41 GLN : amide:sc= 1.32 K(o=1.3,f=-4.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.341 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.074 X(o=0.074,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -152:sc= -0.081 (180deg=-0.595) USER MOD Single : A 65 SER OG : rot -113:sc= 0.0467 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.384 -7.306 -5.491 1.00 9.67 N ATOM 2 CA MET A 1 11.331 -7.129 -4.001 1.00 10.38 C ATOM 3 C MET A 1 9.975 -7.501 -3.379 1.00 9.62 C ATOM 4 O MET A 1 8.952 -7.254 -4.029 1.00 9.62 O ATOM 5 CB MET A 1 11.594 -5.636 -3.660 1.00 13.77 C ATOM 6 CG MET A 1 11.840 -5.244 -2.184 1.00 16.29 C ATOM 7 SD MET A 1 12.627 -3.644 -1.824 1.00 17.17 S ATOM 8 CE MET A 1 11.028 -2.721 -1.635 1.00 16.11 C ATOM 0 H1 MET A 1 12.366 -7.202 -5.818 1.00 9.67 H new ATOM 0 H2 MET A 1 11.035 -8.253 -5.741 1.00 9.67 H new ATOM 0 H3 MET A 1 10.788 -6.586 -5.948 1.00 9.67 H new ATOM 0 HA MET A 1 12.086 -7.799 -3.590 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.461 -5.313 -4.237 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.740 -5.060 -4.017 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.877 -5.261 -1.673 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.454 -6.023 -1.733 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.236 -1.677 -1.403 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.462 -2.780 -2.564 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.446 -3.163 -0.827 1.00 16.11 H new ATOM 20 N GLN A 2 9.876 -8.127 -2.213 1.00 9.27 N ATOM 21 CA GLN A 2 8.702 -8.699 -1.499 1.00 9.07 C ATOM 22 C GLN A 2 8.336 -7.730 -0.397 1.00 8.72 C ATOM 23 O GLN A 2 9.139 -7.082 0.293 1.00 8.22 O ATOM 24 CB GLN A 2 8.915 -10.183 -1.100 1.00 14.46 C ATOM 25 CG GLN A 2 7.811 -10.796 -0.214 1.00 17.01 C ATOM 26 CD GLN A 2 8.011 -12.348 -0.106 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.853 -12.710 0.681 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.198 -13.102 -0.863 1.00 19.49 N ATOM 0 H GLN A 2 10.720 -8.273 -1.659 1.00 9.27 H new ATOM 0 HA GLN A 2 7.829 -8.786 -2.145 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.999 -10.778 -2.010 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.867 -10.267 -0.575 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.839 -10.347 0.779 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.830 -10.576 -0.636 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.527 -12.658 -1.490 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.251 -14.119 -0.811 1.00 19.49 H new ATOM 37 N ILE A 3 7.046 -7.615 -0.212 1.00 5.87 N ATOM 38 CA ILE A 3 6.475 -6.897 0.912 1.00 5.07 C ATOM 39 C ILE A 3 5.207 -7.572 1.298 1.00 4.01 C ATOM 40 O ILE A 3 4.744 -8.408 0.515 1.00 4.61 O ATOM 41 CB ILE A 3 6.315 -5.341 0.645 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.385 -5.021 -0.567 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.572 -4.455 0.651 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.125 -3.513 -0.681 1.00 10.83 C ATOM 0 H ILE A 3 6.351 -8.019 -0.840 1.00 5.87 H new ATOM 0 HA ILE A 3 7.165 -6.936 1.755 1.00 5.07 H new ATOM 0 HB ILE A 3 5.822 -5.036 1.568 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.843 -5.385 -1.487 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.438 -5.549 -0.452 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.289 -3.421 0.453 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.057 -4.518 1.625 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.262 -4.797 -0.121 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.474 -3.319 -1.534 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.645 -3.157 0.230 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.071 -2.990 -0.821 1.00 10.83 H new ATOM 56 N PHE A 4 4.645 -7.303 2.505 1.00 4.55 N ATOM 57 CA PHE A 4 3.497 -7.864 3.142 1.00 4.68 C ATOM 58 C PHE A 4 2.486 -6.749 3.388 1.00 5.30 C ATOM 59 O PHE A 4 2.824 -5.637 3.831 1.00 5.58 O ATOM 60 CB PHE A 4 3.843 -8.628 4.410 1.00 4.83 C ATOM 61 CG PHE A 4 4.808 -9.785 4.063 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.309 -10.898 3.433 1.00 6.69 C ATOM 63 CD2 PHE A 4 6.165 -9.593 4.217 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.195 -11.914 3.085 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.061 -10.619 3.901 1.00 10.61 C ATOM 66 CZ PHE A 4 6.589 -11.772 3.292 1.00 8.90 C ATOM 0 H PHE A 4 5.066 -6.592 3.104 1.00 4.55 H new ATOM 0 HA PHE A 4 3.054 -8.610 2.482 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.305 -7.959 5.136 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.936 -9.021 4.870 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.255 -10.983 3.213 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.537 -8.647 4.583 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.813 -12.826 2.650 1.00 9.10 H new ATOM 0 HE2 PHE A 4 8.111 -10.514 4.129 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.272 -12.548 2.981 1.00 8.90 H new ATOM 76 N VAL A 5 1.190 -7.001 3.066 1.00 4.44 N ATOM 77 CA VAL A 5 0.131 -6.000 3.197 1.00 3.87 C ATOM 78 C VAL A 5 -1.078 -6.612 3.948 1.00 4.93 C ATOM 79 O VAL A 5 -1.627 -7.635 3.537 1.00 6.84 O ATOM 80 CB VAL A 5 -0.353 -5.471 1.866 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.544 -4.465 1.986 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.841 -4.777 1.157 1.00 9.13 C ATOM 0 H VAL A 5 0.865 -7.901 2.712 1.00 4.44 H new ATOM 0 HA VAL A 5 0.562 -5.166 3.752 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.728 -6.319 1.293 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.837 -4.128 0.992 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.389 -4.958 2.466 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.237 -3.607 2.584 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.515 -4.387 0.193 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.205 -3.957 1.776 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.643 -5.499 1.004 1.00 9.13 H new ATOM 92 N LYS A 6 -1.480 -6.032 5.096 1.00 6.04 N ATOM 93 CA LYS A 6 -2.570 -6.512 5.965 1.00 6.12 C ATOM 94 C LYS A 6 -3.900 -5.694 5.977 1.00 6.57 C ATOM 95 O LYS A 6 -3.913 -4.458 6.021 1.00 5.76 O ATOM 96 CB LYS A 6 -2.128 -6.555 7.459 1.00 7.45 C ATOM 97 CG LYS A 6 -1.111 -7.691 7.715 1.00 11.12 C ATOM 98 CD LYS A 6 -0.313 -7.487 8.982 1.00 14.54 C ATOM 99 CE LYS A 6 0.897 -8.354 9.185 1.00 18.84 C ATOM 100 NZ LYS A 6 0.466 -9.755 9.253 1.00 20.55 N ATOM 0 H LYS A 6 -1.038 -5.186 5.456 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.773 -7.486 5.519 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.685 -5.599 7.736 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -3.002 -6.697 8.094 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.642 -8.641 7.774 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.428 -7.759 6.868 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.010 -6.446 9.013 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.982 -7.639 9.829 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.603 -8.215 8.366 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.414 -8.073 10.103 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.300 -10.372 9.326 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.139 -9.892 10.088 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.069 -9.996 8.394 1.00 20.55 H new ATOM 114 N THR A 7 -5.129 -6.283 5.984 1.00 7.41 N ATOM 115 CA THR A 7 -6.441 -5.630 5.899 1.00 7.48 C ATOM 116 C THR A 7 -7.115 -5.235 7.182 1.00 8.75 C ATOM 117 O THR A 7 -6.539 -5.536 8.250 1.00 8.58 O ATOM 118 CB THR A 7 -7.439 -6.563 5.134 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.677 -7.750 5.831 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.883 -6.990 3.829 1.00 9.17 C ATOM 0 H THR A 7 -5.221 -7.296 6.054 1.00 7.41 H new ATOM 0 HA THR A 7 -6.210 -4.695 5.390 1.00 7.48 H new ATOM 0 HB THR A 7 -8.350 -5.976 5.019 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.305 -8.306 5.325 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.599 -7.637 3.322 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.687 -6.113 3.213 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.953 -7.535 3.991 1.00 9.17 H new ATOM 128 N LEU A 8 -8.346 -4.633 7.189 1.00 9.84 N ATOM 129 CA LEU A 8 -9.091 -4.242 8.384 1.00 14.15 C ATOM 130 C LEU A 8 -9.303 -5.438 9.268 1.00 17.37 C ATOM 131 O LEU A 8 -9.255 -5.331 10.533 1.00 17.01 O ATOM 132 CB LEU A 8 -10.430 -3.560 8.129 1.00 16.63 C ATOM 133 CG LEU A 8 -10.287 -2.147 7.491 1.00 18.88 C ATOM 134 CD1 LEU A 8 -11.628 -1.510 7.482 1.00 19.31 C ATOM 135 CD2 LEU A 8 -9.370 -1.263 8.434 1.00 18.59 C ATOM 0 H LEU A 8 -8.843 -4.409 6.327 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.468 -3.490 8.868 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -11.031 -4.189 7.473 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.971 -3.473 9.071 1.00 16.63 H new ATOM 0 HG LEU A 8 -9.869 -2.227 6.488 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -11.556 -0.517 7.039 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -12.316 -2.119 6.896 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.998 -1.426 8.504 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -9.258 -0.268 8.003 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.831 -1.183 9.418 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -8.390 -1.730 8.530 1.00 18.59 H new ATOM 147 N THR A 9 -9.640 -6.573 8.647 1.00 18.33 N ATOM 148 CA THR A 9 -9.882 -7.853 9.359 1.00 19.24 C ATOM 149 C THR A 9 -8.572 -8.721 9.484 1.00 19.48 C ATOM 150 O THR A 9 -8.617 -9.912 9.817 1.00 23.14 O ATOM 151 CB THR A 9 -10.870 -8.724 8.684 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.650 -9.015 7.264 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.180 -7.908 8.800 1.00 19.70 C ATOM 0 H THR A 9 -9.755 -6.641 7.636 1.00 18.33 H new ATOM 0 HA THR A 9 -10.254 -7.538 10.334 1.00 19.24 H new ATOM 0 HB THR A 9 -10.839 -9.707 9.153 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.365 -9.598 6.935 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.995 -8.459 8.329 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.414 -7.743 9.852 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.056 -6.947 8.301 1.00 19.70 H new ATOM 161 N GLY A 10 -7.357 -8.105 9.299 1.00 19.43 N ATOM 162 CA GLY A 10 -6.066 -8.710 9.575 1.00 18.74 C ATOM 163 C GLY A 10 -5.487 -9.565 8.534 1.00 17.62 C ATOM 164 O GLY A 10 -4.394 -10.125 8.767 1.00 19.74 O ATOM 0 H GLY A 10 -7.279 -7.152 8.944 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.357 -7.910 9.787 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.159 -9.303 10.485 1.00 18.74 H new ATOM 168 N LYS A 11 -6.169 -9.692 7.362 1.00 13.56 N ATOM 169 CA LYS A 11 -5.768 -10.586 6.289 1.00 11.91 C ATOM 170 C LYS A 11 -4.484 -10.083 5.606 1.00 10.18 C ATOM 171 O LYS A 11 -4.476 -8.911 5.187 1.00 9.10 O ATOM 172 CB LYS A 11 -6.888 -10.936 5.284 1.00 13.43 C ATOM 173 CG LYS A 11 -6.595 -12.189 4.463 1.00 16.69 C ATOM 174 CD LYS A 11 -7.602 -12.488 3.341 1.00 17.92 C ATOM 175 CE LYS A 11 -7.500 -11.661 2.030 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.532 -12.002 1.001 1.00 21.93 N ATOM 0 H LYS A 11 -7.016 -9.164 7.154 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.546 -11.541 6.764 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.823 -11.077 5.827 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.036 -10.094 4.608 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.603 -12.091 4.022 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.561 -13.045 5.137 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.507 -13.542 3.079 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.604 -12.349 3.746 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.585 -10.602 2.275 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.511 -11.809 1.597 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.085 -12.048 0.063 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.957 -12.924 1.228 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -9.272 -11.271 0.996 1.00 21.93 H new ATOM 190 N THR A 12 -3.547 -11.002 5.356 1.00 9.63 N ATOM 191 CA THR A 12 -2.223 -10.682 4.807 1.00 9.85 C ATOM 192 C THR A 12 -2.084 -11.216 3.377 1.00 11.66 C ATOM 193 O THR A 12 -2.220 -12.379 3.122 1.00 12.33 O ATOM 194 CB THR A 12 -1.027 -11.192 5.591 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.273 -11.014 6.962 1.00 10.91 O ATOM 196 CG2 THR A 12 0.204 -10.384 5.164 1.00 9.63 C ATOM 0 H THR A 12 -3.686 -11.997 5.530 1.00 9.63 H new ATOM 0 HA THR A 12 -2.195 -9.594 4.859 1.00 9.85 H new ATOM 0 HB THR A 12 -0.856 -12.251 5.397 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.700 -11.618 7.478 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.077 -10.733 5.715 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.373 -10.516 4.095 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.038 -9.328 5.378 1.00 9.63 H new ATOM 204 N ILE A 13 -1.742 -10.368 2.436 1.00 10.42 N ATOM 205 CA ILE A 13 -1.370 -10.591 1.017 1.00 11.84 C ATOM 206 C ILE A 13 0.050 -10.217 0.859 1.00 10.55 C ATOM 207 O ILE A 13 0.710 -9.422 1.612 1.00 11.92 O ATOM 208 CB ILE A 13 -2.275 -9.861 0.024 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.522 -8.332 0.390 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.665 -10.559 0.010 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.324 -7.488 -0.607 1.00 16.46 C ATOM 0 H ILE A 13 -1.707 -9.372 2.653 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.512 -11.645 0.778 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.769 -9.899 -0.940 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.034 -8.294 1.351 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.550 -7.858 0.528 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.321 -10.048 -0.695 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.547 -11.599 -0.293 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.102 -10.519 1.008 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.415 -6.469 -0.231 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.811 -7.475 -1.568 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.317 -7.919 -0.732 1.00 16.46 H new ATOM 223 N THR A 14 0.667 -10.759 -0.156 1.00 9.39 N ATOM 224 CA THR A 14 2.140 -10.737 -0.361 1.00 9.63 C ATOM 225 C THR A 14 2.293 -10.029 -1.728 1.00 11.20 C ATOM 226 O THR A 14 1.563 -10.433 -2.634 1.00 11.63 O ATOM 227 CB THR A 14 2.682 -12.155 -0.500 1.00 10.38 C ATOM 228 OG1 THR A 14 2.573 -12.934 0.700 1.00 16.30 O ATOM 229 CG2 THR A 14 4.125 -12.241 -0.884 1.00 11.66 C ATOM 0 H THR A 14 0.169 -11.249 -0.900 1.00 9.39 H new ATOM 0 HA THR A 14 2.668 -10.257 0.463 1.00 9.63 H new ATOM 0 HB THR A 14 2.049 -12.546 -1.296 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.262 -12.651 1.337 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.420 -13.288 -0.959 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.275 -11.752 -1.847 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.733 -11.746 -0.127 1.00 11.66 H new ATOM 237 N LEU A 15 3.058 -8.989 -1.914 1.00 8.29 N ATOM 238 CA LEU A 15 3.184 -8.315 -3.110 1.00 9.03 C ATOM 239 C LEU A 15 4.630 -8.226 -3.649 1.00 8.59 C ATOM 240 O LEU A 15 5.612 -8.166 -2.931 1.00 7.79 O ATOM 241 CB LEU A 15 2.832 -6.878 -2.850 1.00 11.08 C ATOM 242 CG LEU A 15 1.458 -6.497 -2.376 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.517 -4.979 -2.248 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.274 -6.956 -3.229 1.00 15.27 C ATOM 0 H LEU A 15 3.631 -8.591 -1.170 1.00 8.29 H new ATOM 0 HA LEU A 15 2.558 -8.854 -3.821 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.541 -6.503 -2.112 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.015 -6.331 -3.775 1.00 11.08 H new ATOM 0 HG LEU A 15 1.246 -7.020 -1.443 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.552 -4.605 -1.905 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.289 -4.704 -1.529 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.752 -4.541 -3.218 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.656 -6.615 -2.774 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.363 -6.537 -4.231 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.270 -8.044 -3.290 1.00 15.27 H new ATOM 256 N GLU A 16 4.713 -8.233 -5.005 1.00 11.04 N ATOM 257 CA GLU A 16 5.936 -7.998 -5.738 1.00 11.50 C ATOM 258 C GLU A 16 6.019 -6.578 -6.220 1.00 10.13 C ATOM 259 O GLU A 16 5.112 -6.082 -6.930 1.00 9.83 O ATOM 260 CB GLU A 16 6.008 -8.970 -6.913 1.00 17.22 C ATOM 261 CG GLU A 16 7.367 -9.027 -7.728 1.00 23.33 C ATOM 262 CD GLU A 16 7.151 -9.910 -8.879 1.00 26.99 C ATOM 263 OE1 GLU A 16 6.640 -9.499 -9.949 1.00 28.90 O ATOM 264 OE2 GLU A 16 7.443 -11.136 -8.670 1.00 28.86 O ATOM 0 H GLU A 16 3.908 -8.407 -5.607 1.00 11.04 H new ATOM 0 HA GLU A 16 6.784 -8.165 -5.073 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.799 -9.971 -6.536 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.208 -8.718 -7.609 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.659 -8.030 -8.058 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.175 -9.404 -7.101 1.00 23.33 H new ATOM 271 N VAL A 17 7.120 -5.898 -5.856 1.00 8.99 N ATOM 272 CA VAL A 17 7.284 -4.462 -6.056 1.00 8.85 C ATOM 273 C VAL A 17 8.697 -4.200 -6.419 1.00 8.04 C ATOM 274 O VAL A 17 9.565 -5.039 -6.171 1.00 8.99 O ATOM 275 CB VAL A 17 6.932 -3.654 -4.790 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.392 -3.751 -4.496 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.756 -4.044 -3.600 1.00 10.54 C ATOM 0 H VAL A 17 7.924 -6.341 -5.411 1.00 8.99 H new ATOM 0 HA VAL A 17 6.604 -4.147 -6.847 1.00 8.85 H new ATOM 0 HB VAL A 17 7.182 -2.612 -4.988 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.156 -3.177 -3.600 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.834 -3.350 -5.342 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.116 -4.794 -4.342 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.462 -3.441 -2.741 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.595 -5.098 -3.376 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.811 -3.877 -3.817 1.00 10.54 H new ATOM 287 N GLU A 18 9.077 -3.071 -6.994 1.00 7.29 N ATOM 288 CA GLU A 18 10.354 -2.494 -6.997 1.00 7.08 C ATOM 289 C GLU A 18 10.401 -1.322 -5.973 1.00 6.45 C ATOM 290 O GLU A 18 9.368 -0.709 -5.750 1.00 5.28 O ATOM 291 CB GLU A 18 10.777 -1.917 -8.406 1.00 10.28 C ATOM 292 CG GLU A 18 10.650 -3.034 -9.514 1.00 12.65 C ATOM 293 CD GLU A 18 11.329 -4.336 -9.205 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.530 -4.277 -8.935 1.00 18.17 O ATOM 295 OE2 GLU A 18 10.717 -5.360 -9.317 1.00 14.33 O ATOM 0 H GLU A 18 8.410 -2.502 -7.515 1.00 7.29 H new ATOM 0 HA GLU A 18 11.048 -3.293 -6.735 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.146 -1.066 -8.663 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.803 -1.551 -8.364 1.00 10.28 H new ATOM 0 HG2 GLU A 18 9.592 -3.229 -9.688 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.059 -2.644 -10.446 1.00 12.65 H new ATOM 302 N PRO A 19 11.590 -0.917 -5.474 1.00 7.24 N ATOM 303 CA PRO A 19 11.699 0.306 -4.717 1.00 7.07 C ATOM 304 C PRO A 19 11.531 1.537 -5.598 1.00 6.65 C ATOM 305 O PRO A 19 11.106 2.542 -5.037 1.00 6.37 O ATOM 306 CB PRO A 19 13.064 0.148 -4.006 1.00 7.61 C ATOM 307 CG PRO A 19 13.862 -0.737 -4.857 1.00 8.16 C ATOM 308 CD PRO A 19 12.827 -1.686 -5.518 1.00 7.49 C ATOM 0 HA PRO A 19 10.907 0.467 -3.985 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.553 1.114 -3.881 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.938 -0.277 -3.010 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.416 -0.172 -5.606 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.594 -1.295 -4.272 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.108 -1.938 -6.541 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.736 -2.625 -4.972 1.00 7.49 H new ATOM 316 N SER A 20 11.692 1.430 -6.958 1.00 6.80 N ATOM 317 CA SER A 20 11.309 2.486 -7.843 1.00 6.28 C ATOM 318 C SER A 20 9.802 2.600 -8.205 1.00 8.45 C ATOM 319 O SER A 20 9.487 3.471 -8.974 1.00 7.26 O ATOM 320 CB SER A 20 12.090 2.362 -9.256 1.00 8.57 C ATOM 321 OG SER A 20 12.042 0.981 -9.691 1.00 11.13 O ATOM 0 H SER A 20 12.086 0.612 -7.423 1.00 6.80 H new ATOM 0 HA SER A 20 11.571 3.371 -7.262 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.628 3.010 -10.001 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.124 2.688 -9.147 1.00 8.57 H new ATOM 0 HG SER A 20 12.510 0.891 -10.547 1.00 11.13 H new ATOM 327 N ASP A 21 8.960 1.804 -7.549 1.00 7.50 N ATOM 328 CA ASP A 21 7.486 1.834 -7.744 1.00 7.70 C ATOM 329 C ASP A 21 6.876 2.815 -6.777 1.00 7.08 C ATOM 330 O ASP A 21 7.292 2.939 -5.653 1.00 8.11 O ATOM 331 CB ASP A 21 6.849 0.495 -7.640 1.00 11.00 C ATOM 332 CG ASP A 21 7.142 -0.381 -8.862 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.353 0.105 -10.002 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.972 -1.618 -8.745 1.00 14.36 O ATOM 0 H ASP A 21 9.267 1.114 -6.863 1.00 7.50 H new ATOM 0 HA ASP A 21 7.295 2.161 -8.766 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.207 -0.007 -6.741 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.771 0.615 -7.531 1.00 11.00 H new ATOM 339 N THR A 22 5.819 3.554 -7.208 1.00 5.37 N ATOM 340 CA THR A 22 5.126 4.528 -6.409 1.00 6.01 C ATOM 341 C THR A 22 4.104 3.845 -5.504 1.00 8.01 C ATOM 342 O THR A 22 3.795 2.701 -5.733 1.00 8.11 O ATOM 343 CB THR A 22 4.407 5.625 -7.216 1.00 8.92 C ATOM 344 OG1 THR A 22 3.344 5.062 -8.012 1.00 10.22 O ATOM 345 CG2 THR A 22 5.400 6.253 -8.204 1.00 9.65 C ATOM 0 H THR A 22 5.437 3.466 -8.150 1.00 5.37 H new ATOM 0 HA THR A 22 5.906 5.020 -5.828 1.00 6.01 H new ATOM 0 HB THR A 22 4.011 6.355 -6.510 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.899 5.776 -8.515 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.898 7.031 -8.779 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.234 6.689 -7.654 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.774 5.485 -8.881 1.00 9.65 H new ATOM 353 N ILE A 23 3.554 4.640 -4.601 1.00 8.32 N ATOM 354 CA ILE A 23 2.384 4.234 -3.785 1.00 9.92 C ATOM 355 C ILE A 23 1.175 3.896 -4.550 1.00 10.01 C ATOM 356 O ILE A 23 0.592 2.872 -4.328 1.00 8.71 O ATOM 357 CB ILE A 23 2.153 5.233 -2.675 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.404 5.506 -1.771 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.866 4.830 -1.880 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.183 4.270 -1.311 1.00 12.30 C ATOM 0 H ILE A 23 3.891 5.582 -4.401 1.00 8.32 H new ATOM 0 HA ILE A 23 2.637 3.277 -3.329 1.00 9.92 H new ATOM 0 HB ILE A 23 1.984 6.207 -3.133 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.086 6.159 -2.316 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.076 6.054 -0.888 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.694 5.548 -1.078 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.009 4.826 -2.553 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.998 3.835 -1.455 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.026 4.580 -0.693 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.527 3.621 -0.731 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.552 3.728 -2.182 1.00 12.30 H new ATOM 372 N GLU A 24 0.810 4.649 -5.619 1.00 9.54 N ATOM 373 CA GLU A 24 -0.252 4.311 -6.440 1.00 11.81 C ATOM 374 C GLU A 24 -0.017 3.001 -7.257 1.00 11.14 C ATOM 375 O GLU A 24 -0.909 2.227 -7.439 1.00 10.62 O ATOM 376 CB GLU A 24 -0.439 5.561 -7.333 1.00 19.24 C ATOM 377 CG GLU A 24 -1.661 5.414 -8.396 1.00 27.76 C ATOM 378 CD GLU A 24 -1.909 6.726 -9.151 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.000 7.351 -9.739 1.00 36.51 O ATOM 380 OE2 GLU A 24 -3.104 7.134 -9.081 1.00 34.80 O ATOM 0 H GLU A 24 1.287 5.509 -5.891 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.149 4.071 -5.869 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.621 6.429 -6.699 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.486 5.752 -7.877 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.432 4.621 -9.108 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.569 5.118 -7.870 1.00 27.76 H new ATOM 387 N ASN A 25 1.222 2.678 -7.720 1.00 9.43 N ATOM 388 CA ASN A 25 1.649 1.456 -8.331 1.00 10.96 C ATOM 389 C ASN A 25 1.440 0.247 -7.436 1.00 9.68 C ATOM 390 O ASN A 25 0.969 -0.810 -7.829 1.00 9.33 O ATOM 391 CB ASN A 25 3.118 1.559 -8.767 1.00 16.78 C ATOM 392 CG ASN A 25 3.151 1.987 -10.266 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.423 1.278 -11.219 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.812 3.318 -10.467 1.00 24.70 N ATOM 0 H ASN A 25 1.990 3.346 -7.654 1.00 9.43 H new ATOM 0 HA ASN A 25 1.023 1.306 -9.211 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.647 2.287 -8.152 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.622 0.602 -8.633 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.791 3.702 -11.412 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.584 3.912 -9.670 1.00 24.70 H new ATOM 401 N VAL A 26 1.731 0.376 -6.144 1.00 6.52 N ATOM 402 CA VAL A 26 1.379 -0.530 -5.069 1.00 5.53 C ATOM 403 C VAL A 26 -0.078 -0.772 -4.879 1.00 4.42 C ATOM 404 O VAL A 26 -0.548 -1.919 -4.982 1.00 3.40 O ATOM 405 CB VAL A 26 2.099 -0.202 -3.791 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.701 -1.161 -2.625 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.597 -0.336 -4.148 1.00 8.12 C ATOM 0 H VAL A 26 2.259 1.179 -5.802 1.00 6.52 H new ATOM 0 HA VAL A 26 1.745 -1.500 -5.405 1.00 5.53 H new ATOM 0 HB VAL A 26 1.844 0.794 -3.429 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.247 -0.884 -1.723 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.630 -1.082 -2.439 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.948 -2.187 -2.898 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.202 -0.113 -3.269 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.802 -1.353 -4.481 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.845 0.364 -4.946 1.00 8.12 H new ATOM 417 N LYS A 27 -0.881 0.365 -4.837 1.00 2.64 N ATOM 418 CA LYS A 27 -2.381 0.306 -4.781 1.00 4.14 C ATOM 419 C LYS A 27 -2.944 -0.425 -5.998 1.00 5.58 C ATOM 420 O LYS A 27 -3.962 -1.178 -5.936 1.00 4.11 O ATOM 421 CB LYS A 27 -3.115 1.700 -4.587 1.00 3.97 C ATOM 422 CG LYS A 27 -2.804 2.398 -3.271 1.00 7.45 C ATOM 423 CD LYS A 27 -3.511 3.769 -3.039 1.00 9.02 C ATOM 424 CE LYS A 27 -3.012 4.401 -1.711 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.638 5.663 -1.491 1.00 15.47 N ATOM 0 H LYS A 27 -0.507 1.314 -4.841 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.595 -0.255 -3.871 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.837 2.360 -5.409 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.191 1.542 -4.655 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.076 1.729 -2.455 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.727 2.553 -3.211 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.304 4.441 -3.872 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.591 3.630 -3.003 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.229 3.731 -0.879 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.930 4.527 -1.745 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.208 6.125 -0.664 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.510 6.265 -2.329 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.654 5.521 -1.319 1.00 15.47 H new ATOM 439 N ALA A 28 -2.405 -0.200 -7.197 1.00 6.61 N ATOM 440 CA ALA A 28 -2.826 -0.932 -8.385 1.00 7.74 C ATOM 441 C ALA A 28 -2.498 -2.412 -8.353 1.00 9.17 C ATOM 442 O ALA A 28 -3.330 -3.254 -8.728 1.00 11.45 O ATOM 443 CB ALA A 28 -2.079 -0.410 -9.628 1.00 7.68 C ATOM 0 H ALA A 28 -1.672 0.488 -7.368 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.905 -0.785 -8.417 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.404 -0.966 -10.508 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.298 0.649 -9.766 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.006 -0.543 -9.490 1.00 7.68 H new ATOM 449 N LYS A 29 -1.343 -2.854 -7.874 1.00 8.96 N ATOM 450 CA LYS A 29 -1.004 -4.215 -7.527 1.00 7.90 C ATOM 451 C LYS A 29 -2.034 -4.838 -6.518 1.00 6.92 C ATOM 452 O LYS A 29 -2.529 -5.977 -6.803 1.00 6.87 O ATOM 453 CB LYS A 29 0.463 -4.300 -7.044 1.00 10.28 C ATOM 454 CG LYS A 29 0.959 -5.768 -7.004 1.00 14.94 C ATOM 455 CD LYS A 29 1.372 -6.258 -8.427 1.00 19.69 C ATOM 456 CE LYS A 29 1.997 -7.591 -8.419 1.00 22.63 C ATOM 457 NZ LYS A 29 2.325 -8.131 -9.786 1.00 24.98 N ATOM 0 H LYS A 29 -0.564 -2.217 -7.708 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.077 -4.830 -8.424 1.00 7.90 H new ATOM 0 HB2 LYS A 29 1.101 -3.716 -7.708 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.547 -3.858 -6.051 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.809 -5.850 -6.326 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.173 -6.411 -6.608 1.00 14.94 H new ATOM 0 HD2 LYS A 29 0.490 -6.280 -9.067 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.066 -5.540 -8.865 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.913 -7.546 -7.830 1.00 22.63 H new ATOM 0 HE3 LYS A 29 1.328 -8.290 -7.916 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 2.761 -9.071 -9.693 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 1.453 -8.208 -10.347 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.988 -7.488 -10.263 1.00 24.98 H new ATOM 471 N ILE A 30 -2.498 -4.078 -5.481 1.00 4.57 N ATOM 472 CA ILE A 30 -3.500 -4.522 -4.443 1.00 5.58 C ATOM 473 C ILE A 30 -4.924 -4.625 -5.114 1.00 7.26 C ATOM 474 O ILE A 30 -5.784 -5.452 -4.680 1.00 9.46 O ATOM 475 CB ILE A 30 -3.639 -3.590 -3.252 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.305 -3.620 -2.542 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.712 -4.006 -2.208 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.078 -2.608 -1.471 1.00 2.00 C ATOM 0 H ILE A 30 -2.184 -3.119 -5.334 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.126 -5.476 -4.071 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.945 -2.618 -3.638 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.179 -4.610 -2.103 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.522 -3.501 -3.290 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.733 -3.277 -1.398 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.690 -4.045 -2.687 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.466 -4.989 -1.805 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.083 -2.744 -1.047 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.159 -1.607 -1.894 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.826 -2.733 -0.688 1.00 2.00 H new ATOM 490 N GLN A 31 -5.164 -3.845 -6.142 1.00 7.06 N ATOM 491 CA GLN A 31 -6.318 -3.978 -7.018 1.00 8.67 C ATOM 492 C GLN A 31 -6.349 -5.289 -7.826 1.00 10.90 C ATOM 493 O GLN A 31 -7.331 -6.001 -7.802 1.00 9.63 O ATOM 494 CB GLN A 31 -6.446 -2.742 -7.890 1.00 9.12 C ATOM 495 CG GLN A 31 -7.890 -2.644 -8.451 1.00 10.76 C ATOM 496 CD GLN A 31 -7.954 -1.346 -9.295 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.972 -0.705 -9.606 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.231 -0.897 -9.528 1.00 14.76 N ATOM 0 H GLN A 31 -4.547 -3.076 -6.405 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.200 -4.048 -6.382 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.210 -1.850 -7.310 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.729 -2.788 -8.710 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.127 -3.515 -9.062 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.619 -2.615 -7.641 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.030 -1.467 -9.251 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.380 0.006 -9.978 1.00 14.76 H new ATOM 507 N ASP A 32 -5.257 -5.690 -8.498 1.00 10.93 N ATOM 508 CA ASP A 32 -5.121 -7.023 -9.142 1.00 14.01 C ATOM 509 C ASP A 32 -5.264 -8.144 -8.080 1.00 14.04 C ATOM 510 O ASP A 32 -5.841 -9.151 -8.411 1.00 13.39 O ATOM 511 CB ASP A 32 -3.788 -7.039 -9.866 1.00 18.01 C ATOM 512 CG ASP A 32 -3.716 -8.290 -10.709 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.503 -8.378 -11.672 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.847 -9.173 -10.518 1.00 26.29 O ATOM 0 H ASP A 32 -4.433 -5.100 -8.615 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.911 -7.208 -9.870 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.687 -6.153 -10.493 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.967 -7.017 -9.149 1.00 18.01 H new ATOM 519 N LYS A 33 -4.793 -8.014 -6.858 1.00 14.22 N ATOM 520 CA LYS A 33 -4.972 -8.994 -5.808 1.00 14.00 C ATOM 521 C LYS A 33 -6.450 -9.134 -5.285 1.00 12.37 C ATOM 522 O LYS A 33 -6.913 -10.270 -5.162 1.00 12.17 O ATOM 523 CB LYS A 33 -4.154 -8.673 -4.556 1.00 18.62 C ATOM 524 CG LYS A 33 -2.668 -8.785 -4.677 1.00 24.00 C ATOM 525 CD LYS A 33 -2.243 -10.253 -4.941 1.00 27.61 C ATOM 526 CE LYS A 33 -0.780 -10.345 -4.747 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.249 -11.603 -5.269 1.00 30.06 N ATOM 0 H LYS A 33 -4.259 -7.198 -6.559 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.649 -9.913 -6.298 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.394 -7.657 -4.244 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.481 -9.337 -3.756 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.316 -8.149 -5.489 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.197 -8.425 -3.763 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.761 -10.928 -4.260 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.513 -10.552 -5.954 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.292 -9.508 -5.246 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.547 -10.263 -3.685 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.779 -11.635 -5.117 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.697 -12.401 -4.775 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.451 -11.669 -6.287 1.00 30.06 H new ATOM 541 N GLU A 34 -7.137 -8.026 -4.909 1.00 10.11 N ATOM 542 CA GLU A 34 -8.351 -8.113 -4.103 1.00 10.07 C ATOM 543 C GLU A 34 -9.420 -7.108 -4.619 1.00 9.32 C ATOM 544 O GLU A 34 -10.481 -6.939 -4.000 1.00 11.61 O ATOM 545 CB GLU A 34 -8.065 -7.743 -2.620 1.00 14.77 C ATOM 546 CG GLU A 34 -7.164 -8.660 -1.805 1.00 18.75 C ATOM 547 CD GLU A 34 -7.865 -9.874 -1.222 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.011 -9.771 -0.681 1.00 25.19 O ATOM 549 OE2 GLU A 34 -7.407 -11.027 -1.377 1.00 21.95 O ATOM 0 H GLU A 34 -6.863 -7.075 -5.156 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.708 -9.140 -4.179 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.624 -6.746 -2.606 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.023 -7.675 -2.104 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.344 -8.999 -2.438 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.722 -8.085 -0.991 1.00 18.75 H new ATOM 556 N GLY A 35 -9.190 -6.500 -5.778 1.00 7.22 N ATOM 557 CA GLY A 35 -10.221 -5.687 -6.400 1.00 6.29 C ATOM 558 C GLY A 35 -10.676 -4.365 -5.750 1.00 6.93 C ATOM 559 O GLY A 35 -11.763 -3.836 -6.037 1.00 7.41 O ATOM 0 H GLY A 35 -8.313 -6.554 -6.296 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.878 -5.449 -7.407 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.106 -6.315 -6.505 1.00 6.29 H new ATOM 563 N ILE A 36 -9.809 -3.814 -4.845 1.00 5.86 N ATOM 564 CA ILE A 36 -10.191 -2.550 -4.192 1.00 6.07 C ATOM 565 C ILE A 36 -9.861 -1.396 -5.031 1.00 6.36 C ATOM 566 O ILE A 36 -8.676 -1.301 -5.458 1.00 6.18 O ATOM 567 CB ILE A 36 -9.462 -2.482 -2.854 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.688 -3.855 -2.148 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.043 -1.331 -2.006 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.970 -4.032 -0.760 1.00 9.49 C ATOM 0 H ILE A 36 -8.906 -4.202 -4.574 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.269 -2.521 -4.036 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.397 -2.292 -2.987 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.759 -3.997 -2.003 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.349 -4.647 -2.816 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.521 -1.284 -1.050 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.915 -0.388 -2.537 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.104 -1.508 -1.831 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.194 -5.020 -0.358 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.893 -3.929 -0.892 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.325 -3.269 -0.067 1.00 9.49 H new ATOM 582 N PRO A 37 -10.738 -0.427 -5.356 1.00 8.65 N ATOM 583 CA PRO A 37 -10.236 0.820 -5.910 1.00 9.18 C ATOM 584 C PRO A 37 -9.111 1.531 -5.206 1.00 9.85 C ATOM 585 O PRO A 37 -9.177 1.660 -3.987 1.00 8.51 O ATOM 586 CB PRO A 37 -11.556 1.668 -5.961 1.00 11.42 C ATOM 587 CG PRO A 37 -12.708 0.710 -5.962 1.00 9.27 C ATOM 588 CD PRO A 37 -12.190 -0.538 -5.219 1.00 8.33 C ATOM 0 HA PRO A 37 -9.727 0.640 -6.857 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.615 2.337 -5.103 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.576 2.292 -6.854 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.576 1.136 -5.460 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.016 0.465 -6.978 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.497 -0.541 -4.173 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.568 -1.458 -5.665 1.00 8.33 H new ATOM 596 N PRO A 38 -8.121 2.137 -5.835 1.00 8.71 N ATOM 597 CA PRO A 38 -7.078 2.913 -5.141 1.00 9.08 C ATOM 598 C PRO A 38 -7.598 4.163 -4.368 1.00 9.28 C ATOM 599 O PRO A 38 -6.875 4.761 -3.591 1.00 6.50 O ATOM 600 CB PRO A 38 -6.140 3.296 -6.291 1.00 10.31 C ATOM 601 CG PRO A 38 -6.261 2.085 -7.295 1.00 10.81 C ATOM 602 CD PRO A 38 -7.740 1.738 -7.180 1.00 12.00 C ATOM 0 HA PRO A 38 -6.607 2.337 -4.345 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.441 4.234 -6.757 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.115 3.427 -5.944 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.984 2.366 -8.311 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.621 1.250 -7.009 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.328 2.268 -7.929 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.908 0.673 -7.337 1.00 12.00 H new ATOM 610 N ASP A 39 -8.876 4.633 -4.605 1.00 11.20 N ATOM 611 CA ASP A 39 -9.394 5.869 -4.032 1.00 14.96 C ATOM 612 C ASP A 39 -10.115 5.395 -2.726 1.00 13.99 C ATOM 613 O ASP A 39 -10.221 6.212 -1.814 1.00 13.75 O ATOM 614 CB ASP A 39 -10.394 6.607 -5.050 1.00 24.16 C ATOM 615 CG ASP A 39 -10.808 7.875 -4.397 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.112 8.914 -4.358 1.00 34.22 O ATOM 617 OD2 ASP A 39 -12.044 7.906 -4.024 1.00 35.55 O ATOM 0 H ASP A 39 -9.547 4.146 -5.199 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.618 6.606 -3.827 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -9.901 6.805 -6.002 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.260 5.981 -5.264 1.00 24.16 H new ATOM 622 N GLN A 40 -10.483 4.063 -2.530 1.00 11.60 N ATOM 623 CA GLN A 40 -10.791 3.597 -1.206 1.00 10.76 C ATOM 624 C GLN A 40 -9.475 3.337 -0.457 1.00 8.01 C ATOM 625 O GLN A 40 -9.342 3.707 0.739 1.00 8.96 O ATOM 626 CB GLN A 40 -11.596 2.236 -1.145 1.00 11.14 C ATOM 627 CG GLN A 40 -12.981 2.332 -1.936 1.00 14.85 C ATOM 628 CD GLN A 40 -13.681 0.981 -2.036 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.184 -0.138 -1.935 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.008 1.029 -2.343 1.00 18.16 N ATOM 0 H GLN A 40 -10.557 3.362 -3.268 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.413 4.378 -0.768 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -10.990 1.435 -1.569 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.789 1.973 -0.105 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.637 3.043 -1.433 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.799 2.720 -2.938 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.477 1.930 -2.440 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.532 0.164 -2.476 1.00 18.16 H new ATOM 639 N GLN A 41 -8.455 2.619 -1.076 1.00 6.52 N ATOM 640 CA GLN A 41 -7.247 2.252 -0.452 1.00 3.87 C ATOM 641 C GLN A 41 -6.426 3.356 0.184 1.00 4.79 C ATOM 642 O GLN A 41 -6.138 4.388 -0.415 1.00 6.34 O ATOM 643 CB GLN A 41 -6.297 1.559 -1.411 1.00 4.20 C ATOM 644 CG GLN A 41 -6.874 0.300 -2.087 1.00 3.20 C ATOM 645 CD GLN A 41 -5.819 -0.301 -2.988 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.686 -0.324 -2.604 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.239 -0.813 -4.148 1.00 7.13 N ATOM 0 H GLN A 41 -8.516 2.304 -2.044 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.623 1.607 0.342 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.001 2.268 -2.185 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.392 1.282 -0.869 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.183 -0.424 -1.333 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.762 0.556 -2.665 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.224 -0.754 -4.405 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.574 -1.263 -4.777 1.00 7.13 H new ATOM 656 N ARG A 42 -6.011 3.091 1.417 1.00 5.73 N ATOM 657 CA ARG A 42 -5.127 3.973 2.117 1.00 6.97 C ATOM 658 C ARG A 42 -4.083 3.032 2.739 1.00 7.15 C ATOM 659 O ARG A 42 -4.474 2.025 3.311 1.00 7.33 O ATOM 660 CB ARG A 42 -5.759 4.751 3.290 1.00 13.23 C ATOM 661 CG ARG A 42 -6.658 5.796 2.678 1.00 21.27 C ATOM 662 CD ARG A 42 -7.512 6.403 3.797 1.00 26.14 C ATOM 663 NE ARG A 42 -7.903 7.805 3.533 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.435 8.627 4.475 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.859 8.181 5.642 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.736 9.886 4.142 1.00 36.39 N ATOM 0 H ARG A 42 -6.284 2.261 1.944 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.766 4.725 1.415 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.326 4.083 3.937 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.989 5.215 3.907 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.065 6.569 2.189 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.294 5.351 1.913 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.411 5.800 3.928 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.958 6.357 4.734 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.766 8.175 2.592 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.793 7.187 5.863 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.253 8.830 6.324 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.566 10.217 3.192 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.136 10.516 4.838 1.00 36.39 H new ATOM 680 N LEU A 43 -2.788 3.377 2.618 1.00 4.65 N ATOM 681 CA LEU A 43 -1.676 2.563 3.139 1.00 3.51 C ATOM 682 C LEU A 43 -0.982 3.268 4.302 1.00 5.56 C ATOM 683 O LEU A 43 -0.444 4.351 4.180 1.00 4.19 O ATOM 684 CB LEU A 43 -0.708 2.167 2.047 1.00 3.74 C ATOM 685 CG LEU A 43 -1.245 1.373 0.814 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.101 0.941 -0.106 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.058 0.137 1.140 1.00 6.41 C ATOM 0 H LEU A 43 -2.483 4.232 2.154 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.095 1.635 3.527 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.241 3.079 1.674 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.080 1.570 2.506 1.00 3.74 H new ATOM 0 HG LEU A 43 -1.913 2.084 0.328 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.505 0.390 -0.955 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.430 1.823 -0.465 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.588 0.302 0.446 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.382 -0.340 0.215 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.446 -0.560 1.712 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.931 0.420 1.728 1.00 6.41 H new ATOM 699 N ILE A 44 -0.983 2.561 5.460 1.00 4.58 N ATOM 700 CA ILE A 44 -0.422 2.974 6.749 1.00 5.55 C ATOM 701 C ILE A 44 0.820 2.161 6.974 1.00 5.46 C ATOM 702 O ILE A 44 0.670 1.010 7.357 1.00 6.04 O ATOM 703 CB ILE A 44 -1.384 2.718 7.905 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.828 3.264 7.613 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.785 3.247 9.223 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.897 4.781 7.350 1.00 13.90 C ATOM 0 H ILE A 44 -1.403 1.633 5.510 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.221 4.045 6.719 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.510 1.641 8.016 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.233 2.739 6.748 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.471 3.025 8.460 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.481 3.058 10.040 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.158 2.738 9.424 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.608 4.319 9.138 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.930 5.070 7.158 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.526 5.319 8.222 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.284 5.028 6.483 1.00 13.90 H new ATOM 718 N PHE A 45 2.030 2.750 6.902 1.00 6.75 N ATOM 719 CA PHE A 45 3.273 2.133 7.291 1.00 4.70 C ATOM 720 C PHE A 45 4.028 3.061 8.177 1.00 6.34 C ATOM 721 O PHE A 45 4.174 4.246 7.946 1.00 5.45 O ATOM 722 CB PHE A 45 4.092 1.688 6.087 1.00 5.51 C ATOM 723 CG PHE A 45 5.578 1.554 6.358 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.963 0.266 6.784 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.569 2.449 6.056 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.320 -0.045 6.988 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.884 2.226 6.319 1.00 6.64 C ATOM 728 CZ PHE A 45 8.232 0.963 6.839 1.00 6.84 C ATOM 0 H PHE A 45 2.152 3.702 6.557 1.00 6.75 H new ATOM 0 HA PHE A 45 3.054 1.223 7.849 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.710 0.729 5.737 1.00 5.51 H new ATOM 0 HB3 PHE A 45 3.945 2.404 5.278 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.209 -0.489 6.955 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.292 3.380 5.584 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.630 -1.045 7.253 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.631 2.985 6.137 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.257 0.785 7.130 1.00 6.84 H new ATOM 738 N ALA A 46 4.486 2.576 9.371 1.00 6.53 N ATOM 739 CA ALA A 46 5.161 3.406 10.361 1.00 7.15 C ATOM 740 C ALA A 46 4.355 4.598 10.845 1.00 9.00 C ATOM 741 O ALA A 46 4.966 5.647 11.125 1.00 11.15 O ATOM 742 CB ALA A 46 6.491 3.896 9.819 1.00 8.99 C ATOM 0 H ALA A 46 4.387 1.600 9.652 1.00 6.53 H new ATOM 0 HA ALA A 46 5.303 2.757 11.225 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.984 4.515 10.569 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.124 3.041 9.581 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.322 4.485 8.917 1.00 8.99 H new ATOM 748 N GLY A 47 2.978 4.518 10.990 1.00 9.35 N ATOM 749 CA GLY A 47 2.076 5.561 11.457 1.00 11.68 C ATOM 750 C GLY A 47 1.844 6.630 10.419 1.00 11.14 C ATOM 751 O GLY A 47 1.214 7.669 10.677 1.00 13.93 O ATOM 0 H GLY A 47 2.475 3.660 10.762 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.121 5.114 11.734 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.488 6.017 12.358 1.00 11.68 H new ATOM 755 N LYS A 48 2.381 6.433 9.228 1.00 10.47 N ATOM 756 CA LYS A 48 2.153 7.397 8.174 1.00 8.82 C ATOM 757 C LYS A 48 1.320 6.911 7.058 1.00 7.68 C ATOM 758 O LYS A 48 1.307 5.699 6.777 1.00 6.47 O ATOM 759 CB LYS A 48 3.523 7.718 7.550 1.00 9.74 C ATOM 760 CG LYS A 48 4.536 8.401 8.482 1.00 14.14 C ATOM 761 CD LYS A 48 4.226 9.770 9.039 1.00 16.32 C ATOM 762 CE LYS A 48 5.256 10.267 10.006 1.00 20.04 C ATOM 763 NZ LYS A 48 5.061 11.729 10.096 1.00 23.92 N ATOM 0 H LYS A 48 2.963 5.635 8.973 1.00 10.47 H new ATOM 0 HA LYS A 48 1.637 8.238 8.637 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.962 6.790 7.185 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.365 8.359 6.683 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.703 7.734 9.328 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.480 8.474 7.942 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.141 10.478 8.215 1.00 16.32 H new ATOM 0 HD3 LYS A 48 3.256 9.741 9.536 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.134 9.797 10.982 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.262 10.028 9.661 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 5.754 12.132 10.759 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 5.192 12.155 9.156 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 4.099 11.931 10.436 1.00 23.92 H new ATOM 777 N GLN A 49 0.571 7.808 6.433 1.00 8.89 N ATOM 778 CA GLN A 49 -0.271 7.409 5.361 1.00 7.18 C ATOM 779 C GLN A 49 0.411 7.760 4.053 1.00 8.23 C ATOM 780 O GLN A 49 0.565 8.967 3.700 1.00 9.70 O ATOM 781 CB GLN A 49 -1.592 8.119 5.535 1.00 11.67 C ATOM 782 CG GLN A 49 -2.543 7.687 4.422 1.00 15.82 C ATOM 783 CD GLN A 49 -3.925 8.386 4.580 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.936 7.986 5.146 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.949 9.642 4.048 1.00 20.67 N ATOM 0 H GLN A 49 0.542 8.802 6.661 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.454 6.335 5.353 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.021 7.882 6.509 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.445 9.199 5.506 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.113 7.935 3.452 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.672 6.605 4.446 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.126 10.009 3.570 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.790 10.214 4.129 1.00 20.67 H new ATOM 794 N LEU A 50 0.868 6.714 3.321 1.00 6.51 N ATOM 795 CA LEU A 50 1.751 6.748 2.160 1.00 7.41 C ATOM 796 C LEU A 50 1.067 7.518 1.017 1.00 8.27 C ATOM 797 O LEU A 50 -0.036 7.151 0.536 1.00 8.34 O ATOM 798 CB LEU A 50 2.112 5.251 1.765 1.00 7.13 C ATOM 799 CG LEU A 50 2.792 4.447 2.835 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.103 3.083 2.262 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.110 5.157 3.200 1.00 9.11 C ATOM 0 H LEU A 50 0.600 5.758 3.556 1.00 6.51 H new ATOM 0 HA LEU A 50 2.680 7.273 2.381 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.194 4.738 1.477 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.755 5.271 0.885 1.00 7.13 H new ATOM 0 HG LEU A 50 2.163 4.350 3.720 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.599 2.475 3.019 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.177 2.597 1.956 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.758 3.192 1.398 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.625 4.592 3.977 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.746 5.221 2.317 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.893 6.161 3.565 1.00 9.11 H new ATOM 813 N GLU A 51 1.698 8.615 0.576 1.00 9.43 N ATOM 814 CA GLU A 51 1.210 9.531 -0.476 1.00 11.90 C ATOM 815 C GLU A 51 1.365 8.972 -1.833 1.00 11.49 C ATOM 816 O GLU A 51 2.511 8.786 -2.266 1.00 9.88 O ATOM 817 CB GLU A 51 1.920 10.936 -0.407 1.00 16.56 C ATOM 818 CG GLU A 51 1.642 11.602 0.978 1.00 26.06 C ATOM 819 CD GLU A 51 2.402 12.849 1.251 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.589 13.017 0.948 1.00 32.13 O ATOM 821 OE2 GLU A 51 1.799 13.733 1.909 1.00 33.44 O ATOM 0 H GLU A 51 2.600 8.904 0.955 1.00 9.43 H new ATOM 0 HA GLU A 51 0.146 9.660 -0.279 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.993 10.819 -0.556 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.555 11.578 -1.209 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.577 11.823 1.048 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.870 10.879 1.762 1.00 26.06 H new ATOM 828 N ASP A 52 0.231 8.717 -2.601 1.00 12.71 N ATOM 829 CA ASP A 52 0.205 8.038 -3.903 1.00 16.56 C ATOM 830 C ASP A 52 1.422 8.254 -4.861 1.00 15.83 C ATOM 831 O ASP A 52 1.998 7.393 -5.521 1.00 17.21 O ATOM 832 CB ASP A 52 -1.035 8.523 -4.630 1.00 21.05 C ATOM 833 CG ASP A 52 -2.289 8.308 -3.883 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.618 7.147 -3.522 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.840 9.349 -3.456 1.00 25.82 O ATOM 0 H ASP A 52 -0.699 9.000 -2.293 1.00 12.71 H new ATOM 0 HA ASP A 52 0.230 6.974 -3.666 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.927 9.587 -4.841 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.104 8.013 -5.591 1.00 21.05 H new ATOM 840 N GLY A 53 1.824 9.533 -5.045 1.00 15.00 N ATOM 841 CA GLY A 53 2.819 9.916 -6.054 1.00 11.77 C ATOM 842 C GLY A 53 4.244 9.814 -5.590 1.00 11.10 C ATOM 843 O GLY A 53 5.193 10.031 -6.332 1.00 11.25 O ATOM 0 H GLY A 53 1.467 10.317 -4.499 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.690 9.284 -6.933 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.624 10.942 -6.368 1.00 11.77 H new ATOM 847 N ARG A 54 4.430 9.387 -4.311 1.00 8.53 N ATOM 848 CA ARG A 54 5.733 9.031 -3.776 1.00 9.05 C ATOM 849 C ARG A 54 6.160 7.707 -4.122 1.00 8.96 C ATOM 850 O ARG A 54 5.347 6.821 -4.390 1.00 11.60 O ATOM 851 CB ARG A 54 5.838 9.239 -2.234 1.00 7.97 C ATOM 852 CG ARG A 54 5.834 10.667 -1.805 1.00 9.62 C ATOM 853 CD ARG A 54 6.114 10.914 -0.315 1.00 12.20 C ATOM 854 NE ARG A 54 6.072 12.423 -0.065 1.00 18.23 N ATOM 855 CZ ARG A 54 7.140 13.263 -0.078 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.360 12.838 -0.374 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.922 14.495 0.286 1.00 23.38 N ATOM 0 H ARG A 54 3.669 9.287 -3.639 1.00 8.53 H new ATOM 0 HA ARG A 54 6.414 9.730 -4.262 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.006 8.725 -1.753 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.754 8.767 -1.877 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.579 11.205 -2.390 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.864 11.099 -2.050 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.372 10.406 0.301 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.088 10.510 -0.039 1.00 12.20 H new ATOM 0 HE ARG A 54 5.160 12.836 0.129 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.517 11.856 -0.600 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.142 13.493 -0.375 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.985 14.787 0.562 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.689 15.168 0.295 1.00 23.38 H new ATOM 871 N THR A 55 7.495 7.451 -4.263 1.00 9.05 N ATOM 872 CA THR A 55 8.082 6.071 -4.470 1.00 9.03 C ATOM 873 C THR A 55 8.266 5.406 -3.134 1.00 8.15 C ATOM 874 O THR A 55 8.504 6.018 -2.132 1.00 5.91 O ATOM 875 CB THR A 55 9.364 5.910 -5.264 1.00 11.15 C ATOM 876 OG1 THR A 55 10.370 6.785 -4.771 1.00 11.95 O ATOM 877 CG2 THR A 55 9.118 6.414 -6.689 1.00 11.71 C ATOM 0 H THR A 55 8.201 8.187 -4.238 1.00 9.05 H new ATOM 0 HA THR A 55 7.337 5.604 -5.114 1.00 9.03 H new ATOM 0 HB THR A 55 9.661 4.863 -5.204 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.210 6.292 -4.666 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.030 6.306 -7.276 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.320 5.831 -7.148 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.829 7.464 -6.659 1.00 11.71 H new ATOM 885 N LEU A 56 8.354 4.076 -3.208 1.00 6.91 N ATOM 886 CA LEU A 56 8.775 3.217 -2.089 1.00 8.29 C ATOM 887 C LEU A 56 10.185 3.555 -1.615 1.00 8.05 C ATOM 888 O LEU A 56 10.426 3.524 -0.385 1.00 10.17 O ATOM 889 CB LEU A 56 8.662 1.732 -2.420 1.00 6.60 C ATOM 890 CG LEU A 56 7.207 1.129 -2.565 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.356 -0.302 -3.040 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.482 1.214 -1.207 1.00 8.64 C ATOM 0 H LEU A 56 8.133 3.555 -4.056 1.00 6.91 H new ATOM 0 HA LEU A 56 8.083 3.423 -1.272 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.196 1.553 -3.353 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.183 1.173 -1.643 1.00 6.60 H new ATOM 0 HG LEU A 56 6.607 1.685 -3.286 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.370 -0.753 -3.152 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.872 -0.315 -4.000 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.933 -0.869 -2.310 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.479 0.799 -1.304 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.039 0.647 -0.461 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.415 2.256 -0.895 1.00 8.64 H new ATOM 904 N SER A 57 11.104 3.880 -2.525 1.00 8.92 N ATOM 905 CA SER A 57 12.456 4.301 -2.157 1.00 9.00 C ATOM 906 C SER A 57 12.528 5.622 -1.349 1.00 9.44 C ATOM 907 O SER A 57 13.429 5.893 -0.496 1.00 10.91 O ATOM 908 CB SER A 57 13.309 4.441 -3.495 1.00 10.32 C ATOM 909 OG SER A 57 12.694 5.284 -4.472 1.00 13.59 O ATOM 0 H SER A 57 10.934 3.859 -3.531 1.00 8.92 H new ATOM 0 HA SER A 57 12.856 3.538 -1.490 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.294 4.839 -3.250 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.463 3.451 -3.925 1.00 10.32 H new ATOM 0 HG SER A 57 13.264 5.332 -5.268 1.00 13.59 H new ATOM 915 N ASP A 58 11.575 6.506 -1.536 1.00 9.11 N ATOM 916 CA ASP A 58 11.480 7.854 -1.049 1.00 7.91 C ATOM 917 C ASP A 58 10.957 7.871 0.430 1.00 9.12 C ATOM 918 O ASP A 58 11.117 8.809 1.255 1.00 8.61 O ATOM 919 CB ASP A 58 10.548 8.654 -2.009 1.00 8.41 C ATOM 920 CG ASP A 58 10.447 10.085 -1.489 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.476 10.753 -1.266 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.301 10.575 -1.367 1.00 11.70 O ATOM 0 H ASP A 58 10.758 6.265 -2.097 1.00 9.11 H new ATOM 0 HA ASP A 58 12.463 8.325 -1.035 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.948 8.645 -3.023 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.561 8.194 -2.052 1.00 8.41 H new ATOM 927 N TYR A 59 10.246 6.793 0.735 1.00 7.97 N ATOM 928 CA TYR A 59 9.855 6.380 2.050 1.00 8.45 C ATOM 929 C TYR A 59 10.773 5.330 2.686 1.00 10.98 C ATOM 930 O TYR A 59 10.604 4.919 3.811 1.00 12.95 O ATOM 931 CB TYR A 59 8.415 5.744 2.022 1.00 7.94 C ATOM 932 CG TYR A 59 7.333 6.769 1.945 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.089 7.655 3.042 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.388 6.709 0.969 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.979 8.539 3.141 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.268 7.504 0.965 1.00 6.52 C ATOM 937 CZ TYR A 59 5.157 8.519 1.983 1.00 6.76 C ATOM 938 OH TYR A 59 4.084 9.446 1.941 1.00 7.63 O ATOM 0 H TYR A 59 9.913 6.152 0.015 1.00 7.97 H new ATOM 0 HA TYR A 59 9.904 7.293 2.644 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.335 5.073 1.167 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.273 5.138 2.917 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.800 7.652 3.855 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.524 6.005 0.161 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.783 9.158 4.004 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.495 7.373 0.223 1.00 6.52 H new ATOM 0 HH TYR A 59 4.324 10.248 2.450 1.00 7.63 H new ATOM 948 N ASN A 60 11.865 4.968 1.964 1.00 12.38 N ATOM 949 CA ASN A 60 12.937 4.093 2.423 1.00 13.94 C ATOM 950 C ASN A 60 12.570 2.679 2.811 1.00 14.16 C ATOM 951 O ASN A 60 13.101 2.000 3.684 1.00 14.26 O ATOM 952 CB ASN A 60 13.633 4.755 3.667 1.00 19.23 C ATOM 953 CG ASN A 60 14.302 6.119 3.454 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.892 7.232 3.741 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.493 6.013 2.872 1.00 24.09 N ATOM 0 H ASN A 60 12.014 5.299 1.011 1.00 12.38 H new ATOM 0 HA ASN A 60 13.577 3.990 1.546 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.886 4.864 4.453 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.388 4.063 4.039 1.00 19.23 H new ATOM 0 HD21 ASN A 60 16.041 6.851 2.676 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.859 5.094 2.622 1.00 24.09 H new ATOM 962 N ILE A 61 11.631 2.155 2.121 1.00 11.08 N ATOM 963 CA ILE A 61 11.018 0.899 2.344 1.00 11.78 C ATOM 964 C ILE A 61 11.841 -0.219 1.869 1.00 13.74 C ATOM 965 O ILE A 61 12.441 -0.146 0.771 1.00 14.60 O ATOM 966 CB ILE A 61 9.590 0.761 1.797 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.693 1.429 2.876 1.00 11.56 C ATOM 968 CG2 ILE A 61 9.146 -0.725 1.627 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.300 1.889 2.457 1.00 11.42 C ATOM 0 H ILE A 61 11.235 2.635 1.313 1.00 11.08 H new ATOM 0 HA ILE A 61 10.935 0.853 3.430 1.00 11.78 H new ATOM 0 HB ILE A 61 9.518 1.215 0.809 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.579 0.725 3.700 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.228 2.294 3.268 1.00 11.56 H new ATOM 0 HG21 ILE A 61 8.129 -0.758 1.237 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.818 -1.228 0.931 1.00 13.29 H new ATOM 0 HG23 ILE A 61 9.181 -1.228 2.593 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.792 2.335 3.312 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.385 2.628 1.660 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.727 1.034 2.099 1.00 11.42 H new ATOM 981 N GLN A 62 11.998 -1.243 2.771 1.00 13.97 N ATOM 982 CA GLN A 62 12.836 -2.337 2.465 1.00 15.52 C ATOM 983 C GLN A 62 12.019 -3.626 2.245 1.00 13.94 C ATOM 984 O GLN A 62 10.827 -3.677 2.479 1.00 12.15 O ATOM 985 CB GLN A 62 13.823 -2.495 3.661 1.00 19.53 C ATOM 986 CG GLN A 62 14.731 -1.281 4.028 1.00 26.38 C ATOM 987 CD GLN A 62 15.686 -0.813 2.878 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.419 -1.600 2.276 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.711 0.507 2.582 1.00 32.71 N ATOM 0 H GLN A 62 11.544 -1.288 3.683 1.00 13.97 H new ATOM 0 HA GLN A 62 13.377 -2.158 1.536 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.239 -2.753 4.544 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.472 -3.345 3.448 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.097 -0.444 4.319 1.00 26.38 H new ATOM 0 HG3 GLN A 62 15.332 -1.543 4.898 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.102 1.154 3.083 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.339 0.855 1.857 1.00 32.71 H new ATOM 998 N LYS A 63 12.792 -4.682 1.838 1.00 11.73 N ATOM 999 CA LYS A 63 12.367 -6.015 1.564 1.00 11.97 C ATOM 1000 C LYS A 63 11.807 -6.687 2.848 1.00 10.41 C ATOM 1001 O LYS A 63 12.313 -6.520 3.988 1.00 9.59 O ATOM 1002 CB LYS A 63 13.483 -6.835 0.903 1.00 13.73 C ATOM 1003 CG LYS A 63 14.692 -7.254 1.744 1.00 16.98 C ATOM 1004 CD LYS A 63 15.835 -7.900 0.932 1.00 20.19 C ATOM 1005 CE LYS A 63 17.268 -7.444 1.387 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.364 -5.995 1.115 1.00 25.97 N ATOM 0 H LYS A 63 13.796 -4.571 1.695 1.00 11.73 H new ATOM 0 HA LYS A 63 11.551 -5.976 0.842 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.031 -7.742 0.501 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.855 -6.261 0.054 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.080 -6.378 2.263 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.362 -7.957 2.509 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.763 -8.984 1.019 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.703 -7.656 -0.122 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.420 -7.649 2.447 1.00 23.42 H new ATOM 0 HE3 LYS A 63 18.038 -7.991 0.843 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.357 -5.740 0.940 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.794 -5.760 0.278 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.009 -5.464 1.936 1.00 25.97 H new ATOM 1020 N GLU A 64 10.673 -7.465 2.678 1.00 10.04 N ATOM 1021 CA GLU A 64 10.053 -8.183 3.753 1.00 10.94 C ATOM 1022 C GLU A 64 9.541 -7.328 4.867 1.00 9.74 C ATOM 1023 O GLU A 64 9.682 -7.645 6.021 1.00 9.42 O ATOM 1024 CB GLU A 64 10.990 -9.339 4.192 1.00 18.31 C ATOM 1025 CG GLU A 64 11.421 -10.252 3.039 1.00 24.16 C ATOM 1026 CD GLU A 64 11.857 -11.546 3.615 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.826 -11.595 4.423 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.171 -12.607 3.386 1.00 32.61 O ATOM 0 H GLU A 64 10.203 -7.581 1.780 1.00 10.04 H new ATOM 0 HA GLU A 64 9.127 -8.621 3.381 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.879 -8.917 4.661 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.484 -9.938 4.949 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.595 -10.404 2.344 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.233 -9.794 2.474 1.00 24.16 H new ATOM 1035 N SER A 65 8.959 -6.181 4.460 1.00 6.85 N ATOM 1036 CA SER A 65 8.448 -5.112 5.264 1.00 6.90 C ATOM 1037 C SER A 65 6.920 -5.106 5.198 1.00 4.72 C ATOM 1038 O SER A 65 6.315 -5.543 4.263 1.00 3.91 O ATOM 1039 CB SER A 65 9.051 -3.757 4.938 1.00 7.28 C ATOM 1040 OG SER A 65 8.684 -2.721 5.909 1.00 10.56 O ATOM 0 H SER A 65 8.836 -5.987 3.466 1.00 6.85 H new ATOM 0 HA SER A 65 8.756 -5.300 6.293 1.00 6.90 H new ATOM 0 HB2 SER A 65 10.137 -3.847 4.903 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.725 -3.449 3.945 1.00 7.28 H new ATOM 0 HG SER A 65 8.105 -2.058 5.477 1.00 10.56 H new ATOM 1046 N THR A 66 6.293 -4.596 6.243 1.00 4.48 N ATOM 1047 CA THR A 66 4.910 -4.866 6.594 1.00 3.80 C ATOM 1048 C THR A 66 4.110 -3.584 6.514 1.00 4.60 C ATOM 1049 O THR A 66 4.388 -2.673 7.289 1.00 5.33 O ATOM 1050 CB THR A 66 4.534 -5.475 7.937 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.238 -6.728 8.221 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.995 -5.784 7.951 1.00 3.40 C ATOM 0 H THR A 66 6.750 -3.959 6.895 1.00 4.48 H new ATOM 0 HA THR A 66 4.692 -5.648 5.867 1.00 3.80 H new ATOM 0 HB THR A 66 4.817 -4.746 8.697 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.957 -7.070 9.096 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.720 -6.221 8.911 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.437 -4.860 7.800 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.758 -6.486 7.152 1.00 3.40 H new ATOM 1060 N LEU A 67 3.107 -3.468 5.577 1.00 4.17 N ATOM 1061 CA LEU A 67 2.164 -2.377 5.478 1.00 3.85 C ATOM 1062 C LEU A 67 0.759 -2.752 5.957 1.00 3.80 C ATOM 1063 O LEU A 67 0.221 -3.854 5.810 1.00 5.54 O ATOM 1064 CB LEU A 67 1.961 -1.871 4.002 1.00 7.18 C ATOM 1065 CG LEU A 67 3.244 -1.897 3.090 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.875 -1.527 1.648 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.328 -1.016 3.680 1.00 11.66 C ATOM 0 H LEU A 67 2.958 -4.177 4.859 1.00 4.17 H new ATOM 0 HA LEU A 67 2.611 -1.609 6.109 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.190 -2.481 3.531 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.582 -0.849 4.036 1.00 7.18 H new ATOM 0 HG LEU A 67 3.654 -2.906 3.056 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.770 -1.548 1.026 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.149 -2.243 1.263 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.443 -0.526 1.628 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.209 -1.044 3.039 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.964 0.009 3.753 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.591 -1.379 4.674 1.00 11.66 H new ATOM 1079 N HIS A 68 0.039 -1.760 6.513 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.393 -1.847 6.773 1.00 4.17 C ATOM 1081 C HIS A 68 -2.261 -1.149 5.733 1.00 5.32 C ATOM 1082 O HIS A 68 -2.045 -0.022 5.434 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.676 -1.297 8.135 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.453 -2.344 9.244 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -2.408 -3.272 9.574 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.386 -2.730 9.949 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -1.845 -4.192 10.382 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.613 -3.842 10.667 1.00 16.30 N ATOM 0 H HIS A 68 0.449 -0.869 6.794 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.659 -2.902 6.714 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.034 -0.435 8.317 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.706 -0.942 8.175 1.00 5.57 H new ATOM 0 HD2 HIS A 68 0.557 -2.204 9.942 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -2.335 -5.085 10.742 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.034 -4.314 11.299 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.324 -1.807 5.293 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.204 -1.313 4.254 1.00 3.97 C ATOM 1098 C LEU A 69 -5.498 -0.994 4.944 1.00 5.07 C ATOM 1099 O LEU A 69 -6.096 -1.853 5.664 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.457 -2.460 3.223 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.648 -2.398 2.226 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.587 -1.265 1.276 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.515 -3.679 1.397 1.00 9.96 C ATOM 0 H LEU A 69 -3.601 -2.718 5.659 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.787 -0.449 3.736 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.549 -2.559 2.628 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.567 -3.382 3.793 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.575 -2.283 2.788 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.454 -1.296 0.617 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.585 -0.326 1.829 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.677 -1.338 0.681 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.319 -3.722 0.662 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.553 -3.682 0.884 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.578 -4.546 2.054 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.941 0.276 4.903 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.188 0.749 5.513 1.00 6.26 C ATOM 1117 C VAL A 70 -8.041 1.490 4.451 1.00 9.22 C ATOM 1118 O VAL A 70 -7.637 1.715 3.333 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.973 1.537 6.814 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.107 0.632 7.763 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.325 2.879 6.507 1.00 8.54 C ATOM 0 H VAL A 70 -5.424 1.018 4.431 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.759 -0.119 5.843 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.913 1.769 7.314 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -5.930 1.155 8.703 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.637 -0.300 7.961 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.153 0.412 7.285 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.176 3.432 7.435 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.362 2.716 6.023 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.972 3.452 5.843 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.235 1.916 4.811 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.245 2.287 3.804 1.00 16.06 C ATOM 1133 C LEU A 71 -10.863 3.622 4.014 1.00 18.09 C ATOM 1134 O LEU A 71 -11.516 3.902 4.969 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.457 1.291 3.715 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.937 -0.122 3.388 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.935 -1.253 3.663 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.469 -0.179 1.906 1.00 19.57 C ATOM 0 H LEU A 71 -9.541 2.018 5.779 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.649 2.272 2.892 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.003 1.280 4.659 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.156 1.620 2.946 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.103 -0.295 4.069 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.482 -2.210 3.403 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.202 -1.253 4.720 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.832 -1.101 3.062 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.102 -1.180 1.679 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.307 0.058 1.250 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.670 0.545 1.749 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.607 4.564 3.097 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.370 5.721 2.849 1.00 25.83 C ATOM 1152 C ARG A 72 -12.888 5.352 2.419 1.00 27.74 C ATOM 1153 O ARG A 72 -13.029 4.690 1.403 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.741 6.607 1.849 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.245 8.063 1.910 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.431 8.934 0.971 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.881 10.414 1.205 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.572 11.385 0.351 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.710 11.194 -0.642 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -11.177 12.583 0.479 1.00 35.02 N ATOM 0 H ARG A 72 -9.795 4.501 2.483 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.408 6.272 3.789 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.661 6.599 1.997 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.929 6.208 0.852 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.299 8.103 1.635 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.167 8.441 2.929 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.365 8.820 1.168 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.596 8.641 -0.066 1.00 34.05 H new ATOM 0 HE ARG A 72 -11.427 10.640 2.036 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -9.266 10.284 -0.764 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -9.492 11.958 -1.282 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -11.859 12.733 1.222 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -10.952 13.339 -0.167 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.881 5.886 3.146 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.312 5.666 2.804 1.00 30.76 C ATOM 1176 C LEU A 73 -15.902 6.966 2.463 1.00 32.18 C ATOM 1177 O LEU A 73 -15.349 8.009 2.901 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.078 5.002 3.993 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.489 3.622 4.442 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.254 3.093 5.660 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.520 2.541 3.291 1.00 29.11 C ATOM 0 H LEU A 73 -13.731 6.470 3.969 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.390 4.986 1.956 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.068 5.683 4.844 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.121 4.864 3.708 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.444 3.795 4.700 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -15.836 2.133 5.963 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -16.166 3.803 6.482 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -17.305 2.966 5.402 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -15.100 1.605 3.659 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -16.550 2.376 2.974 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -14.932 2.894 2.444 1.00 29.11 H new ATOM 1193 N ARG A 74 -17.025 7.014 1.711 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.706 8.240 1.244 1.00 35.33 C ATOM 1195 C ARG A 74 -18.154 9.212 2.332 1.00 36.22 C ATOM 1196 O ARG A 74 -18.531 8.774 3.417 1.00 36.70 O ATOM 1197 CB ARG A 74 -18.781 7.952 0.203 1.00 36.91 C ATOM 1198 CG ARG A 74 -18.235 7.253 -1.079 1.00 38.62 C ATOM 1199 CD ARG A 74 -17.014 7.910 -1.770 1.00 39.75 C ATOM 1200 NE ARG A 74 -16.854 7.144 -3.078 1.00 41.13 N ATOM 1201 CZ ARG A 74 -16.032 7.599 -4.074 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -15.356 8.711 -3.937 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -15.761 6.872 -5.165 1.00 41.93 N ATOM 0 H ARG A 74 -17.499 6.166 1.401 1.00 33.82 H new ATOM 0 HA ARG A 74 -16.918 8.798 0.738 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -19.550 7.322 0.651 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -19.261 8.889 -0.080 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -17.967 6.229 -0.819 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -19.046 7.196 -1.805 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -17.184 8.971 -1.951 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -16.119 7.831 -1.153 1.00 39.75 H new ATOM 0 HE ARG A 74 -17.370 6.275 -3.214 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -15.437 9.254 -3.077 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -14.748 9.035 -4.690 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -16.172 5.945 -5.275 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -15.144 7.245 -5.886 1.00 41.93 H new ATOM 1217 N GLY A 75 -18.126 10.516 2.017 1.00 36.31 N ATOM 1218 CA GLY A 75 -18.428 11.483 3.065 1.00 36.07 C ATOM 1219 C GLY A 75 -17.227 12.151 3.741 1.00 36.16 C ATOM 1220 O GLY A 75 -17.314 12.859 4.757 1.00 36.26 O ATOM 0 H GLY A 75 -17.910 10.903 1.098 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -19.058 12.264 2.638 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -19.017 10.982 3.833 1.00 36.07 H new ATOM 1224 N GLY A 76 -16.017 11.869 3.198 1.00 36.05 N ATOM 1225 CA GLY A 76 -14.794 12.422 3.686 1.00 36.19 C ATOM 1226 C GLY A 76 -13.661 12.131 2.768 1.00 36.20 C ATOM 1227 O GLY A 76 -13.912 12.386 1.569 1.00 0.00 O ATOM 1228 OXT GLY A 76 -12.533 11.710 3.103 1.00 0.00 O ATOM 0 H GLY A 76 -15.895 11.242 2.403 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -14.902 13.500 3.803 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -14.578 12.015 4.674 1.00 36.19 H new TER 1232 GLY A 76