USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 586 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 60 ASN : amide:sc= 0 K(o=-0.033,f=-0.82) USER MOD Set 1.2: A 62 GLN : amide:sc= -0.0328 X(o=-0.033,f=0.036) USER MOD Set 2.1: A 55 THR OG1 : rot -29:sc= 1.28 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc=-0.00585 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 151:sc= -0.26 (180deg=-0.39) USER MOD Single : A 1 MET N :NH3+ -175:sc= 2.41 (180deg=2.35) USER MOD Single : A 2 GLN : amide:sc= 0.24 X(o=0.24,f=-0.04) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 150:sc= 1.2 (180deg=1.08) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0355 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0333 USER MOD Single : A 22 THR OG1 : rot -160:sc= 0.316 USER MOD Single : A 25 ASN : amide:sc= -1.11! X(o=-1.1!,f=-0.62) USER MOD Single : A 27 LYS NZ :NH3+ 177:sc= 2.2 (180deg=2.1) USER MOD Single : A 29 LYS NZ :NH3+ -173:sc= 1.24 (180deg=1.04) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.536 K(o=-0.54,f=-1.7) USER MOD Single : A 41 GLN : amide:sc= 1.71 K(o=1.7,f=-4!) 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) USER MOD Single : A 59 TYR OH : rot 80:sc= 0.426 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 60:sc= 1.25 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=-0.012) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.444 -7.228 -5.139 1.00 9.67 N ATOM 2 CA MET A 1 11.376 -7.618 -3.731 1.00 10.38 C ATOM 3 C MET A 1 9.962 -7.869 -3.223 1.00 9.62 C ATOM 4 O MET A 1 9.056 -7.335 -3.817 1.00 9.62 O ATOM 5 CB MET A 1 12.033 -6.506 -2.946 1.00 13.77 C ATOM 6 CG MET A 1 11.382 -5.135 -2.869 1.00 16.29 C ATOM 7 SD MET A 1 12.193 -3.974 -1.670 1.00 17.17 S ATOM 8 CE MET A 1 10.705 -3.039 -1.275 1.00 16.11 C ATOM 0 H1 MET A 1 12.439 -7.158 -5.432 1.00 9.67 H new ATOM 0 H2 MET A 1 10.961 -7.942 -5.721 1.00 9.67 H new ATOM 0 H3 MET A 1 10.980 -6.306 -5.267 1.00 9.67 H new ATOM 0 HA MET A 1 11.886 -8.573 -3.606 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.157 -6.862 -1.923 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.032 -6.366 -3.358 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.395 -4.683 -3.861 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.336 -5.257 -2.588 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.779 -2.650 -0.260 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.600 -2.210 -1.975 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.835 -3.691 -1.351 1.00 16.11 H new ATOM 20 N GLN A 2 9.743 -8.702 -2.159 1.00 9.27 N ATOM 21 CA GLN A 2 8.497 -8.927 -1.580 1.00 9.07 C ATOM 22 C GLN A 2 8.251 -7.853 -0.506 1.00 8.72 C ATOM 23 O GLN A 2 9.251 -7.295 0.037 1.00 8.22 O ATOM 24 CB GLN A 2 8.364 -10.344 -1.042 1.00 14.46 C ATOM 25 CG GLN A 2 8.751 -11.367 -2.146 1.00 17.01 C ATOM 26 CD GLN A 2 7.495 -12.022 -2.787 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.997 -12.974 -2.152 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.097 -11.698 -4.028 1.00 19.49 N ATOM 0 H GLN A 2 10.494 -9.225 -1.709 1.00 9.27 H new ATOM 0 HA GLN A 2 7.722 -8.841 -2.341 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.007 -10.474 -0.172 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.341 -10.522 -0.711 1.00 14.46 H new ATOM 0 HG2 GLN A 2 9.335 -10.866 -2.918 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.387 -12.142 -1.718 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.530 -10.912 -4.513 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.362 -12.238 -4.485 1.00 19.49 H new ATOM 37 N ILE A 3 6.926 -7.553 -0.275 1.00 5.87 N ATOM 38 CA ILE A 3 6.503 -6.931 0.999 1.00 5.07 C ATOM 39 C ILE A 3 5.222 -7.605 1.410 1.00 4.01 C ATOM 40 O ILE A 3 4.572 -8.306 0.593 1.00 4.61 O ATOM 41 CB ILE A 3 6.282 -5.411 0.864 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.235 -5.091 -0.267 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.586 -4.591 0.757 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.841 -3.637 -0.381 1.00 10.83 C ATOM 0 H ILE A 3 6.171 -7.730 -0.937 1.00 5.87 H new ATOM 0 HA ILE A 3 7.286 -7.061 1.746 1.00 5.07 H new ATOM 0 HB ILE A 3 5.848 -5.073 1.805 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.645 -5.417 -1.223 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.337 -5.682 -0.087 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.344 -3.532 0.665 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.189 -4.749 1.651 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.147 -4.912 -0.121 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.117 -3.518 -1.187 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.397 -3.306 0.558 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.725 -3.036 -0.596 1.00 10.83 H new ATOM 56 N PHE A 4 4.724 -7.436 2.627 1.00 4.55 N ATOM 57 CA PHE A 4 3.496 -8.098 3.106 1.00 4.68 C ATOM 58 C PHE A 4 2.553 -7.061 3.487 1.00 5.30 C ATOM 59 O PHE A 4 2.917 -6.151 4.233 1.00 5.58 O ATOM 60 CB PHE A 4 3.694 -9.016 4.272 1.00 4.83 C ATOM 61 CG PHE A 4 4.803 -9.925 4.216 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.717 -11.156 3.514 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.993 -9.675 4.905 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.822 -12.053 3.429 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.082 -10.586 4.861 1.00 10.61 C ATOM 66 CZ PHE A 4 6.985 -11.777 4.086 1.00 8.90 C ATOM 0 H PHE A 4 5.158 -6.831 3.325 1.00 4.55 H new ATOM 0 HA PHE A 4 3.136 -8.724 2.290 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.805 -8.404 5.167 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.784 -9.602 4.397 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.788 -11.421 3.031 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.087 -8.768 5.484 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.738 -12.955 2.842 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.984 -10.375 5.416 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.823 -12.454 4.019 1.00 8.90 H new ATOM 76 N VAL A 5 1.298 -7.130 2.948 1.00 4.44 N ATOM 77 CA VAL A 5 0.337 -6.056 3.157 1.00 3.87 C ATOM 78 C VAL A 5 -0.797 -6.756 3.929 1.00 4.93 C ATOM 79 O VAL A 5 -1.405 -7.721 3.525 1.00 6.84 O ATOM 80 CB VAL A 5 -0.132 -5.460 1.870 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.313 -4.522 2.236 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.972 -4.719 1.072 1.00 9.13 C ATOM 0 H VAL A 5 0.956 -7.907 2.383 1.00 4.44 H new ATOM 0 HA VAL A 5 0.755 -5.206 3.697 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.440 -6.255 1.192 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.700 -4.054 1.331 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.104 -5.102 2.712 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.965 -3.750 2.923 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.548 -4.317 0.152 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.371 -3.903 1.675 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.774 -5.416 0.828 1.00 9.13 H new ATOM 92 N LYS A 6 -1.152 -6.185 5.078 1.00 6.04 N ATOM 93 CA LYS A 6 -2.205 -6.740 5.967 1.00 6.12 C ATOM 94 C LYS A 6 -3.242 -5.651 6.249 1.00 6.57 C ATOM 95 O LYS A 6 -2.935 -4.448 6.248 1.00 5.76 O ATOM 96 CB LYS A 6 -1.627 -7.254 7.318 1.00 7.45 C ATOM 97 CG LYS A 6 -0.610 -8.325 7.208 1.00 11.12 C ATOM 98 CD LYS A 6 -0.047 -8.739 8.592 1.00 14.54 C ATOM 99 CE LYS A 6 -1.070 -9.626 9.377 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.503 -9.975 10.690 1.00 20.55 N ATOM 0 H LYS A 6 -0.728 -5.327 5.430 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.658 -7.590 5.456 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.186 -6.411 7.849 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.451 -7.620 7.930 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.051 -9.195 6.722 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.207 -7.985 6.572 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.886 -9.287 8.459 1.00 14.54 H new ATOM 0 HD3 LYS A 6 0.187 -7.847 9.174 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.011 -9.090 9.505 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.293 -10.531 8.812 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -1.180 -10.565 11.215 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.384 -10.502 10.556 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.312 -9.106 11.228 1.00 20.55 H new ATOM 114 N THR A 7 -4.499 -6.104 6.550 1.00 7.41 N ATOM 115 CA THR A 7 -5.535 -5.258 7.000 1.00 7.48 C ATOM 116 C THR A 7 -5.563 -5.111 8.460 1.00 8.75 C ATOM 117 O THR A 7 -4.857 -5.817 9.196 1.00 8.58 O ATOM 118 CB THR A 7 -6.935 -5.705 6.591 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.207 -6.988 7.048 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.937 -5.755 5.006 1.00 9.17 C ATOM 0 H THR A 7 -4.774 -7.083 6.470 1.00 7.41 H new ATOM 0 HA THR A 7 -5.293 -4.313 6.514 1.00 7.48 H new ATOM 0 HB THR A 7 -7.677 -5.023 7.005 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.111 -7.248 6.773 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.919 -6.071 4.653 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.710 -4.765 4.610 1.00 9.17 H new ATOM 0 HG23 THR A 7 -6.183 -6.464 4.663 1.00 9.17 H new ATOM 128 N LEU A 8 -6.381 -4.189 8.988 1.00 9.84 N ATOM 129 CA LEU A 8 -6.748 -3.900 10.381 1.00 14.15 C ATOM 130 C LEU A 8 -7.242 -5.204 11.003 1.00 17.37 C ATOM 131 O LEU A 8 -6.990 -5.540 12.147 1.00 17.01 O ATOM 132 CB LEU A 8 -7.849 -2.785 10.607 1.00 16.63 C ATOM 133 CG LEU A 8 -7.435 -1.483 9.985 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.455 -0.384 10.291 1.00 19.31 C ATOM 135 CD2 LEU A 8 -6.057 -1.000 10.376 1.00 18.59 C ATOM 0 H LEU A 8 -6.864 -3.543 8.363 1.00 9.84 H new ATOM 0 HA LEU A 8 -5.849 -3.495 10.846 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.796 -3.112 10.177 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -8.015 -2.645 11.675 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.397 -1.692 8.916 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.133 0.550 9.830 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.428 -0.669 9.892 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.531 -0.248 11.370 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -5.848 -0.054 9.877 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -6.014 -0.858 11.456 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -5.314 -1.739 10.077 1.00 18.59 H new ATOM 147 N THR A 9 -8.079 -6.004 10.298 1.00 18.33 N ATOM 148 CA THR A 9 -8.667 -7.281 10.781 1.00 19.24 C ATOM 149 C THR A 9 -7.788 -8.520 10.507 1.00 19.48 C ATOM 150 O THR A 9 -8.193 -9.694 10.589 1.00 23.14 O ATOM 151 CB THR A 9 -10.129 -7.617 10.254 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.019 -7.654 8.855 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.041 -6.363 10.584 1.00 19.70 C ATOM 0 H THR A 9 -8.373 -5.773 9.349 1.00 18.33 H new ATOM 0 HA THR A 9 -8.725 -7.082 11.851 1.00 19.24 H new ATOM 0 HB THR A 9 -10.527 -8.536 10.684 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.893 -7.860 8.463 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.057 -6.551 10.238 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.050 -6.193 11.661 1.00 19.70 H new ATOM 0 HG23 THR A 9 -10.644 -5.482 10.081 1.00 19.70 H new ATOM 161 N GLY A 10 -6.490 -8.345 10.137 1.00 19.43 N ATOM 162 CA GLY A 10 -5.538 -9.465 10.134 1.00 18.74 C ATOM 163 C GLY A 10 -5.501 -10.348 8.872 1.00 17.62 C ATOM 164 O GLY A 10 -5.056 -11.478 8.895 1.00 19.74 O ATOM 0 H GLY A 10 -6.094 -7.452 9.844 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -4.539 -9.060 10.294 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.764 -10.104 10.988 1.00 18.74 H new ATOM 168 N LYS A 11 -6.038 -9.887 7.722 1.00 13.56 N ATOM 169 CA LYS A 11 -5.944 -10.586 6.474 1.00 11.91 C ATOM 170 C LYS A 11 -4.654 -10.237 5.772 1.00 10.18 C ATOM 171 O LYS A 11 -4.224 -9.092 5.784 1.00 9.10 O ATOM 172 CB LYS A 11 -7.074 -9.998 5.547 1.00 13.43 C ATOM 173 CG LYS A 11 -7.134 -10.472 4.076 1.00 16.69 C ATOM 174 CD LYS A 11 -8.353 -9.899 3.331 1.00 17.92 C ATOM 175 CE LYS A 11 -8.323 -10.298 1.864 1.00 20.81 C ATOM 176 NZ LYS A 11 -9.407 -9.683 1.083 1.00 21.93 N ATOM 0 H LYS A 11 -6.550 -9.007 7.660 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.014 -11.659 6.654 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.035 -10.225 6.009 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.970 -8.913 5.543 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -6.221 -10.171 3.561 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -7.172 -11.561 4.048 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -9.271 -10.262 3.793 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.360 -8.812 3.417 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.364 -10.011 1.434 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -8.395 -11.383 1.786 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -9.093 -9.545 0.101 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -10.240 -10.305 1.096 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -9.656 -8.763 1.499 1.00 21.93 H new ATOM 190 N THR A 12 -3.894 -11.168 5.092 1.00 9.63 N ATOM 191 CA THR A 12 -2.541 -10.930 4.588 1.00 9.85 C ATOM 192 C THR A 12 -2.474 -11.226 3.060 1.00 11.66 C ATOM 193 O THR A 12 -2.926 -12.279 2.622 1.00 12.33 O ATOM 194 CB THR A 12 -1.406 -11.793 5.218 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.500 -11.813 6.671 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.015 -11.153 4.907 1.00 9.63 C ATOM 0 H THR A 12 -4.234 -12.108 4.890 1.00 9.63 H new ATOM 0 HA THR A 12 -2.365 -9.888 4.855 1.00 9.85 H new ATOM 0 HB THR A 12 -1.509 -12.795 4.802 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.777 -12.363 7.038 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.773 -11.762 5.351 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.129 -11.103 3.828 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.025 -10.147 5.325 1.00 9.63 H new ATOM 204 N ILE A 13 -1.897 -10.293 2.250 1.00 10.42 N ATOM 205 CA ILE A 13 -1.481 -10.545 0.849 1.00 11.84 C ATOM 206 C ILE A 13 -0.018 -10.179 0.752 1.00 10.55 C ATOM 207 O ILE A 13 0.545 -9.538 1.619 1.00 11.92 O ATOM 208 CB ILE A 13 -2.320 -9.795 -0.148 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.232 -8.226 -0.082 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.785 -10.182 0.012 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.196 -7.560 -1.041 1.00 16.46 C ATOM 0 H ILE A 13 -1.708 -9.339 2.559 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.630 -11.595 0.598 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.906 -10.087 -1.113 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.445 -7.894 0.934 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.215 -7.910 -0.314 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.387 -9.635 -0.713 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.899 -11.253 -0.156 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.118 -9.935 1.020 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.100 -6.477 -0.960 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.967 -7.870 -2.061 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.216 -7.853 -0.793 1.00 16.46 H new ATOM 223 N THR A 14 0.620 -10.634 -0.332 1.00 9.39 N ATOM 224 CA THR A 14 2.058 -10.408 -0.491 1.00 9.63 C ATOM 225 C THR A 14 2.340 -9.838 -1.823 1.00 11.20 C ATOM 226 O THR A 14 1.843 -10.333 -2.843 1.00 11.63 O ATOM 227 CB THR A 14 2.852 -11.778 -0.479 1.00 10.38 C ATOM 228 OG1 THR A 14 2.764 -12.455 0.724 1.00 16.30 O ATOM 229 CG2 THR A 14 4.379 -11.606 -0.643 1.00 11.66 C ATOM 0 H THR A 14 0.176 -11.148 -1.093 1.00 9.39 H new ATOM 0 HA THR A 14 2.358 -9.751 0.325 1.00 9.63 H new ATOM 0 HB THR A 14 2.388 -12.312 -1.308 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.272 -13.291 0.667 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.859 -12.584 -0.626 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.590 -11.115 -1.593 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.766 -10.997 0.174 1.00 11.66 H new ATOM 237 N LEU A 15 3.138 -8.707 -1.869 1.00 8.29 N ATOM 238 CA LEU A 15 3.260 -8.059 -3.180 1.00 9.03 C ATOM 239 C LEU A 15 4.666 -8.073 -3.647 1.00 8.59 C ATOM 240 O LEU A 15 5.541 -7.751 -2.849 1.00 7.79 O ATOM 241 CB LEU A 15 2.654 -6.604 -3.206 1.00 11.08 C ATOM 242 CG LEU A 15 1.223 -6.392 -2.593 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.938 -4.892 -2.675 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.033 -7.218 -3.178 1.00 15.27 C ATOM 0 H LEU A 15 3.644 -8.283 -1.092 1.00 8.29 H new ATOM 0 HA LEU A 15 2.662 -8.645 -3.878 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.344 -5.945 -2.679 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.626 -6.272 -4.244 1.00 11.08 H new ATOM 0 HG LEU A 15 1.269 -6.786 -1.578 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.049 -4.686 -2.261 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.691 -4.347 -2.106 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.968 -4.572 -3.717 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.884 -6.958 -2.650 1.00 15.27 H new ATOM 0 HD22 LEU A 15 -0.082 -6.990 -4.238 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.234 -8.282 -3.055 1.00 15.27 H new ATOM 256 N GLU A 16 4.987 -8.412 -4.897 1.00 11.04 N ATOM 257 CA GLU A 16 6.295 -8.248 -5.523 1.00 11.50 C ATOM 258 C GLU A 16 6.383 -6.825 -6.070 1.00 10.13 C ATOM 259 O GLU A 16 5.605 -6.413 -6.904 1.00 9.83 O ATOM 260 CB GLU A 16 6.482 -9.257 -6.672 1.00 17.22 C ATOM 261 CG GLU A 16 7.887 -9.232 -7.450 1.00 23.33 C ATOM 262 CD GLU A 16 9.095 -9.666 -6.669 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.066 -10.704 -5.974 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.118 -8.899 -6.725 1.00 28.90 O ATOM 0 H GLU A 16 4.305 -8.829 -5.530 1.00 11.04 H new ATOM 0 HA GLU A 16 7.078 -8.428 -4.786 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.337 -10.259 -6.268 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.689 -9.089 -7.401 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.801 -9.871 -8.329 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.060 -8.218 -7.809 1.00 23.33 H new ATOM 271 N VAL A 17 7.250 -6.047 -5.476 1.00 8.99 N ATOM 272 CA VAL A 17 7.457 -4.601 -5.703 1.00 8.85 C ATOM 273 C VAL A 17 8.933 -4.364 -6.008 1.00 8.04 C ATOM 274 O VAL A 17 9.782 -5.214 -5.783 1.00 8.99 O ATOM 275 CB VAL A 17 7.057 -3.745 -4.551 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.595 -4.013 -4.214 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.790 -4.106 -3.282 1.00 10.54 C ATOM 0 H VAL A 17 7.885 -6.413 -4.767 1.00 8.99 H new ATOM 0 HA VAL A 17 6.816 -4.316 -6.537 1.00 8.85 H new ATOM 0 HB VAL A 17 7.270 -2.719 -4.850 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.296 -3.390 -3.371 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.973 -3.778 -5.078 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.469 -5.063 -3.951 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.462 -3.452 -2.474 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.576 -5.142 -3.020 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.862 -3.984 -3.434 1.00 10.54 H new ATOM 287 N GLU A 18 9.272 -3.102 -6.435 1.00 7.29 N ATOM 288 CA GLU A 18 10.632 -2.597 -6.560 1.00 7.08 C ATOM 289 C GLU A 18 10.727 -1.369 -5.700 1.00 6.45 C ATOM 290 O GLU A 18 9.698 -0.769 -5.468 1.00 5.28 O ATOM 291 CB GLU A 18 10.970 -2.226 -7.979 1.00 10.28 C ATOM 292 CG GLU A 18 11.107 -3.419 -8.953 1.00 12.65 C ATOM 293 CD GLU A 18 12.255 -4.346 -8.642 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.499 -3.888 -8.662 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.966 -5.495 -8.314 1.00 14.33 O ATOM 0 H GLU A 18 8.569 -2.412 -6.702 1.00 7.29 H new ATOM 0 HA GLU A 18 11.332 -3.374 -6.252 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.198 -1.555 -8.357 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.906 -1.667 -7.979 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.180 -3.991 -8.940 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.230 -3.034 -9.965 1.00 12.65 H new ATOM 302 N PRO A 19 11.852 -0.858 -5.257 1.00 7.24 N ATOM 303 CA PRO A 19 11.823 0.130 -4.210 1.00 7.07 C ATOM 304 C PRO A 19 11.528 1.558 -4.826 1.00 6.65 C ATOM 305 O PRO A 19 11.052 2.506 -4.260 1.00 6.37 O ATOM 306 CB PRO A 19 13.183 -0.031 -3.548 1.00 7.61 C ATOM 307 CG PRO A 19 14.067 -0.463 -4.720 1.00 8.16 C ATOM 308 CD PRO A 19 13.139 -1.457 -5.424 1.00 7.49 C ATOM 0 HA PRO A 19 11.032 0.010 -3.470 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.529 0.900 -3.099 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.164 -0.779 -2.756 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.341 0.374 -5.362 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.996 -0.927 -4.389 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.397 -1.576 -6.476 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.187 -2.447 -4.970 1.00 7.49 H new ATOM 316 N SER A 20 11.811 1.612 -6.131 1.00 6.80 N ATOM 317 CA SER A 20 11.547 2.679 -7.050 1.00 6.28 C ATOM 318 C SER A 20 10.107 2.691 -7.579 1.00 8.45 C ATOM 319 O SER A 20 9.774 3.561 -8.380 1.00 7.26 O ATOM 320 CB SER A 20 12.470 2.487 -8.306 1.00 8.57 C ATOM 321 OG SER A 20 12.201 1.149 -8.801 1.00 11.13 O ATOM 0 H SER A 20 12.273 0.829 -6.595 1.00 6.80 H new ATOM 0 HA SER A 20 11.727 3.607 -6.507 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.253 3.236 -9.068 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.521 2.600 -8.039 1.00 8.57 H new ATOM 0 HG SER A 20 12.753 0.976 -9.592 1.00 11.13 H new ATOM 327 N ASP A 21 9.268 1.659 -7.221 1.00 7.50 N ATOM 328 CA ASP A 21 7.845 1.622 -7.562 1.00 7.70 C ATOM 329 C ASP A 21 7.176 2.675 -6.660 1.00 7.08 C ATOM 330 O ASP A 21 7.542 2.890 -5.512 1.00 8.11 O ATOM 331 CB ASP A 21 7.250 0.335 -7.169 1.00 11.00 C ATOM 332 CG ASP A 21 7.530 -0.678 -8.253 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.168 -0.373 -9.281 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.990 -1.802 -8.159 1.00 14.36 O ATOM 0 H ASP A 21 9.582 0.846 -6.691 1.00 7.50 H new ATOM 0 HA ASP A 21 7.714 1.785 -8.632 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.669 -0.001 -6.220 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.175 0.444 -7.022 1.00 11.00 H new ATOM 339 N THR A 22 6.132 3.331 -7.187 1.00 5.37 N ATOM 340 CA THR A 22 5.344 4.254 -6.392 1.00 6.01 C ATOM 341 C THR A 22 4.165 3.509 -5.651 1.00 8.01 C ATOM 342 O THR A 22 3.821 2.324 -5.818 1.00 8.11 O ATOM 343 CB THR A 22 4.587 5.316 -7.241 1.00 8.92 C ATOM 344 OG1 THR A 22 3.891 4.695 -8.288 1.00 10.22 O ATOM 345 CG2 THR A 22 5.549 6.306 -7.869 1.00 9.65 C ATOM 0 H THR A 22 5.824 3.234 -8.154 1.00 5.37 H new ATOM 0 HA THR A 22 6.079 4.707 -5.727 1.00 6.01 H new ATOM 0 HB THR A 22 3.904 5.833 -6.568 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.689 5.355 -8.984 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.990 7.035 -8.456 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.105 6.821 -7.085 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.245 5.775 -8.518 1.00 9.65 H new ATOM 353 N ILE A 23 3.622 4.300 -4.686 1.00 8.32 N ATOM 354 CA ILE A 23 2.485 3.939 -3.864 1.00 9.92 C ATOM 355 C ILE A 23 1.330 3.726 -4.768 1.00 10.01 C ATOM 356 O ILE A 23 0.567 2.804 -4.565 1.00 8.71 O ATOM 357 CB ILE A 23 2.276 4.957 -2.792 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.424 4.890 -1.750 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.977 4.689 -2.051 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.486 3.683 -0.792 1.00 12.30 C ATOM 0 H ILE A 23 3.989 5.227 -4.470 1.00 8.32 H new ATOM 0 HA ILE A 23 2.644 3.008 -3.321 1.00 9.92 H new ATOM 0 HB ILE A 23 2.249 5.936 -3.271 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.367 4.928 -2.295 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.371 5.793 -1.141 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.840 5.440 -1.273 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.143 4.735 -2.751 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.015 3.699 -1.597 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.345 3.788 -0.129 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.573 3.642 -0.199 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.585 2.764 -1.370 1.00 12.30 H new ATOM 372 N GLU A 24 1.189 4.548 -5.806 1.00 9.54 N ATOM 373 CA GLU A 24 0.295 4.376 -6.958 1.00 11.81 C ATOM 374 C GLU A 24 0.487 2.995 -7.622 1.00 11.14 C ATOM 375 O GLU A 24 -0.496 2.282 -7.825 1.00 10.62 O ATOM 376 CB GLU A 24 0.515 5.445 -8.010 1.00 19.24 C ATOM 377 CG GLU A 24 -0.562 5.371 -9.123 1.00 27.76 C ATOM 378 CD GLU A 24 -0.252 6.374 -10.245 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.800 6.300 -11.001 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.024 7.346 -10.331 1.00 36.51 O ATOM 0 H GLU A 24 1.730 5.410 -5.873 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.719 4.459 -6.566 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.490 6.429 -7.542 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.505 5.326 -8.451 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.601 4.361 -9.532 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.544 5.582 -8.700 1.00 27.76 H new ATOM 387 N ASN A 25 1.765 2.570 -8.002 1.00 9.43 N ATOM 388 CA ASN A 25 1.949 1.193 -8.495 1.00 10.96 C ATOM 389 C ASN A 25 1.534 0.107 -7.454 1.00 9.68 C ATOM 390 O ASN A 25 0.829 -0.828 -7.806 1.00 9.33 O ATOM 391 CB ASN A 25 3.413 0.887 -8.898 1.00 16.78 C ATOM 392 CG ASN A 25 3.749 1.690 -10.146 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.890 2.170 -10.219 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.826 1.699 -11.154 1.00 24.70 N ATOM 0 H ASN A 25 2.609 3.142 -7.969 1.00 9.43 H new ATOM 0 HA ASN A 25 1.297 1.145 -9.367 1.00 10.96 H new ATOM 0 HB2 ASN A 25 4.092 1.148 -8.086 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.538 -0.179 -9.088 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.056 2.125 -12.052 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.907 1.280 -11.008 1.00 24.70 H new ATOM 401 N VAL A 26 1.923 0.260 -6.211 1.00 6.52 N ATOM 402 CA VAL A 26 1.663 -0.703 -5.152 1.00 5.53 C ATOM 403 C VAL A 26 0.136 -0.812 -4.896 1.00 4.42 C ATOM 404 O VAL A 26 -0.335 -1.905 -4.834 1.00 3.40 O ATOM 405 CB VAL A 26 2.374 -0.417 -3.816 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.010 -1.391 -2.748 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.954 -0.507 -3.993 1.00 8.12 C ATOM 0 H VAL A 26 2.444 1.078 -5.893 1.00 6.52 H new ATOM 0 HA VAL A 26 2.078 -1.642 -5.520 1.00 5.53 H new ATOM 0 HB VAL A 26 2.054 0.583 -3.523 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.541 -1.140 -1.830 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.936 -1.350 -2.569 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.287 -2.397 -3.063 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.439 -0.302 -3.039 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.226 -1.507 -4.331 1.00 8.12 H new ATOM 0 HG23 VAL A 26 4.280 0.226 -4.731 1.00 8.12 H new ATOM 417 N LYS A 27 -0.638 0.253 -4.707 1.00 2.64 N ATOM 418 CA LYS A 27 -2.105 0.206 -4.742 1.00 4.14 C ATOM 419 C LYS A 27 -2.782 -0.522 -5.972 1.00 5.58 C ATOM 420 O LYS A 27 -3.725 -1.284 -5.858 1.00 4.11 O ATOM 421 CB LYS A 27 -2.642 1.651 -4.688 1.00 3.97 C ATOM 422 CG LYS A 27 -2.392 2.365 -3.370 1.00 7.45 C ATOM 423 CD LYS A 27 -2.887 3.831 -3.473 1.00 9.02 C ATOM 424 CE LYS A 27 -3.210 4.357 -2.061 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.958 5.593 -2.178 1.00 15.47 N ATOM 0 H LYS A 27 -0.265 1.184 -4.523 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.373 -0.404 -3.879 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.183 2.227 -5.492 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.715 1.634 -4.880 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.912 1.851 -2.561 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.329 2.345 -3.129 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.124 4.453 -3.940 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.773 3.885 -4.106 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.789 3.618 -1.507 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.289 4.525 -1.502 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.224 5.929 -1.230 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.370 6.311 -2.647 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.817 5.427 -2.740 1.00 15.47 H new ATOM 439 N ALA A 28 -2.231 -0.374 -7.191 1.00 6.61 N ATOM 440 CA ALA A 28 -2.629 -1.141 -8.326 1.00 7.74 C ATOM 441 C ALA A 28 -2.344 -2.635 -8.249 1.00 9.17 C ATOM 442 O ALA A 28 -3.117 -3.486 -8.731 1.00 11.45 O ATOM 443 CB ALA A 28 -2.067 -0.647 -9.693 1.00 7.68 C ATOM 0 H ALA A 28 -1.489 0.297 -7.390 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.706 -0.976 -8.286 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.428 -1.296 -10.491 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.402 0.374 -9.877 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.978 -0.672 -9.669 1.00 7.68 H new ATOM 449 N LYS A 29 -1.292 -3.066 -7.503 1.00 8.96 N ATOM 450 CA LYS A 29 -1.098 -4.501 -7.076 1.00 7.90 C ATOM 451 C LYS A 29 -2.172 -5.029 -6.157 1.00 6.92 C ATOM 452 O LYS A 29 -2.613 -6.184 -6.234 1.00 6.87 O ATOM 453 CB LYS A 29 0.273 -4.715 -6.437 1.00 10.28 C ATOM 454 CG LYS A 29 1.473 -4.573 -7.342 1.00 14.94 C ATOM 455 CD LYS A 29 2.813 -4.347 -6.662 1.00 19.69 C ATOM 456 CE LYS A 29 3.833 -3.779 -7.623 1.00 22.63 C ATOM 457 NZ LYS A 29 4.254 -4.843 -8.569 1.00 24.98 N ATOM 0 H LYS A 29 -0.553 -2.443 -7.177 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.169 -5.073 -8.001 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.380 -4.006 -5.616 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.293 -5.713 -6.000 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.548 -5.473 -7.953 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.291 -3.741 -8.022 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.685 -3.666 -5.821 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.180 -5.290 -6.256 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.407 -2.937 -8.169 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.696 -3.400 -7.075 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.039 -4.495 -9.155 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.565 -5.679 -8.035 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.453 -5.101 -9.180 1.00 24.98 H new ATOM 471 N ILE A 30 -2.604 -4.162 -5.226 1.00 4.57 N ATOM 472 CA ILE A 30 -3.690 -4.549 -4.339 1.00 5.58 C ATOM 473 C ILE A 30 -5.018 -4.581 -5.097 1.00 7.26 C ATOM 474 O ILE A 30 -5.846 -5.458 -4.908 1.00 9.46 O ATOM 475 CB ILE A 30 -3.766 -3.636 -3.100 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.431 -3.625 -2.352 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.904 -4.104 -2.158 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.248 -2.635 -1.228 1.00 2.00 C ATOM 0 H ILE A 30 -2.229 -3.225 -5.078 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.484 -5.556 -3.977 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.980 -2.621 -3.435 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.270 -4.623 -1.945 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.642 -3.448 -3.083 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.947 -3.451 -1.287 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.855 -4.064 -2.689 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.711 -5.127 -1.835 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.253 -2.751 -0.799 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.361 -1.622 -1.614 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.998 -2.816 -0.458 1.00 2.00 H new ATOM 490 N GLN A 31 -5.255 -3.676 -6.060 1.00 7.06 N ATOM 491 CA GLN A 31 -6.422 -3.574 -6.908 1.00 8.67 C ATOM 492 C GLN A 31 -6.620 -4.809 -7.713 1.00 10.90 C ATOM 493 O GLN A 31 -7.719 -5.347 -7.907 1.00 9.63 O ATOM 494 CB GLN A 31 -6.435 -2.378 -7.855 1.00 9.12 C ATOM 495 CG GLN A 31 -7.629 -2.188 -8.822 1.00 10.76 C ATOM 496 CD GLN A 31 -7.536 -0.877 -9.712 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.504 -0.131 -9.746 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.373 -0.661 -10.407 1.00 14.76 N ATOM 0 H GLN A 31 -4.574 -2.946 -6.271 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.239 -3.430 -6.201 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.361 -1.477 -7.246 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.529 -2.429 -8.459 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.694 -3.056 -9.478 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.552 -2.157 -8.242 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -5.603 -1.326 -10.332 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -6.278 0.165 -10.998 1.00 14.76 H new ATOM 507 N ASP A 32 -5.527 -5.373 -8.274 1.00 10.93 N ATOM 508 CA ASP A 32 -5.508 -6.595 -9.094 1.00 14.01 C ATOM 509 C ASP A 32 -5.946 -7.816 -8.268 1.00 14.04 C ATOM 510 O ASP A 32 -6.766 -8.588 -8.751 1.00 13.39 O ATOM 511 CB ASP A 32 -4.083 -6.891 -9.555 1.00 18.01 C ATOM 512 CG ASP A 32 -3.466 -5.963 -10.572 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.252 -5.423 -11.373 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.232 -6.043 -10.745 1.00 26.29 O ATOM 0 H ASP A 32 -4.598 -4.969 -8.160 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.182 -6.428 -9.934 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.441 -6.898 -8.674 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -4.067 -7.899 -9.969 1.00 18.01 H new ATOM 519 N LYS A 33 -5.387 -8.035 -7.072 1.00 14.22 N ATOM 520 CA LYS A 33 -5.729 -9.276 -6.343 1.00 14.00 C ATOM 521 C LYS A 33 -7.076 -9.172 -5.590 1.00 12.37 C ATOM 522 O LYS A 33 -7.852 -10.045 -5.593 1.00 12.17 O ATOM 523 CB LYS A 33 -4.609 -9.573 -5.337 1.00 18.62 C ATOM 524 CG LYS A 33 -3.235 -9.782 -5.957 1.00 24.00 C ATOM 525 CD LYS A 33 -2.268 -10.306 -4.921 1.00 27.61 C ATOM 526 CE LYS A 33 -0.812 -10.333 -5.281 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.593 -11.321 -6.335 1.00 30.06 N ATOM 0 H LYS A 33 -4.730 -7.411 -6.603 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.830 -10.078 -7.074 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.550 -8.749 -4.626 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.876 -10.465 -4.770 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.306 -10.485 -6.787 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.866 -8.842 -6.366 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.380 -9.702 -4.021 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.569 -11.321 -4.663 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.491 -9.348 -5.618 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.213 -10.581 -4.404 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.416 -11.342 -6.587 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.885 -12.260 -5.997 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.154 -11.065 -7.173 1.00 30.06 H new ATOM 541 N GLU A 34 -7.336 -7.956 -4.980 1.00 10.11 N ATOM 542 CA GLU A 34 -8.427 -7.888 -3.989 1.00 10.07 C ATOM 543 C GLU A 34 -9.587 -6.909 -4.454 1.00 9.32 C ATOM 544 O GLU A 34 -10.703 -6.817 -3.909 1.00 11.61 O ATOM 545 CB GLU A 34 -7.866 -7.475 -2.584 1.00 14.77 C ATOM 546 CG GLU A 34 -6.987 -8.551 -1.898 1.00 18.75 C ATOM 547 CD GLU A 34 -7.748 -9.875 -1.980 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.915 -9.963 -1.527 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.095 -10.857 -2.339 1.00 25.19 O ATOM 0 H GLU A 34 -6.835 -7.085 -5.154 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.864 -8.883 -3.907 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.280 -6.563 -2.695 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.704 -7.237 -1.929 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.020 -8.632 -2.394 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.791 -8.283 -0.860 1.00 18.75 H new ATOM 556 N GLY A 35 -9.362 -6.164 -5.527 1.00 7.22 N ATOM 557 CA GLY A 35 -10.377 -5.426 -6.165 1.00 6.29 C ATOM 558 C GLY A 35 -10.738 -4.134 -5.458 1.00 6.93 C ATOM 559 O GLY A 35 -11.695 -3.483 -5.871 1.00 7.41 O ATOM 0 H GLY A 35 -8.445 -6.072 -5.965 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.060 -5.195 -7.182 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.269 -6.047 -6.243 1.00 6.29 H new ATOM 563 N ILE A 36 -9.939 -3.698 -4.494 1.00 5.86 N ATOM 564 CA ILE A 36 -10.124 -2.404 -3.807 1.00 6.07 C ATOM 565 C ILE A 36 -9.482 -1.301 -4.643 1.00 6.36 C ATOM 566 O ILE A 36 -8.254 -1.394 -4.869 1.00 6.18 O ATOM 567 CB ILE A 36 -9.554 -2.393 -2.387 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.901 -3.638 -1.605 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.829 -1.060 -1.782 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.117 -3.883 -0.284 1.00 9.49 C ATOM 0 H ILE A 36 -9.135 -4.228 -4.156 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.196 -2.233 -3.708 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.468 -2.481 -2.381 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.964 -3.603 -1.367 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.748 -4.500 -2.255 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.430 -1.031 -0.768 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.353 -0.283 -2.381 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.905 -0.888 -1.754 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.462 -4.808 0.178 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.052 -3.962 -0.502 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.287 -3.051 0.400 1.00 9.49 H new ATOM 582 N PRO A 37 -10.157 -0.172 -5.051 1.00 8.65 N ATOM 583 CA PRO A 37 -9.661 0.824 -5.955 1.00 9.18 C ATOM 584 C PRO A 37 -8.609 1.718 -5.320 1.00 9.85 C ATOM 585 O PRO A 37 -8.814 2.007 -4.142 1.00 8.51 O ATOM 586 CB PRO A 37 -10.861 1.764 -6.240 1.00 11.42 C ATOM 587 CG PRO A 37 -12.021 0.840 -6.186 1.00 9.27 C ATOM 588 CD PRO A 37 -11.590 -0.134 -5.061 1.00 8.33 C ATOM 0 HA PRO A 37 -9.232 0.323 -6.823 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -10.940 2.556 -5.496 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.774 2.248 -7.213 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -12.948 1.360 -5.945 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.180 0.326 -7.134 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -11.972 0.201 -4.097 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -11.999 -1.129 -5.237 1.00 8.33 H new ATOM 596 N PRO A 38 -7.510 2.239 -5.926 1.00 8.71 N ATOM 597 CA PRO A 38 -6.505 3.074 -5.257 1.00 9.08 C ATOM 598 C PRO A 38 -6.952 4.333 -4.583 1.00 9.28 C ATOM 599 O PRO A 38 -6.293 4.719 -3.612 1.00 6.50 O ATOM 600 CB PRO A 38 -5.546 3.447 -6.340 1.00 10.31 C ATOM 601 CG PRO A 38 -5.633 2.220 -7.281 1.00 10.81 C ATOM 602 CD PRO A 38 -7.079 1.750 -7.192 1.00 12.00 C ATOM 0 HA PRO A 38 -6.118 2.481 -4.428 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.837 4.369 -6.843 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.536 3.598 -5.958 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.369 2.489 -8.304 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -4.944 1.435 -6.969 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.683 2.153 -8.005 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.152 0.664 -7.249 1.00 12.00 H new ATOM 610 N ASP A 39 -8.120 4.977 -4.989 1.00 11.20 N ATOM 611 CA ASP A 39 -8.729 6.050 -4.205 1.00 14.96 C ATOM 612 C ASP A 39 -9.363 5.627 -2.865 1.00 13.99 C ATOM 613 O ASP A 39 -9.154 6.294 -1.843 1.00 13.75 O ATOM 614 CB ASP A 39 -9.860 6.759 -4.972 1.00 24.16 C ATOM 615 CG ASP A 39 -9.254 7.444 -6.188 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.539 8.447 -6.019 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.612 7.065 -7.336 1.00 35.55 O ATOM 0 H ASP A 39 -8.623 4.749 -5.847 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.871 6.694 -4.011 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.619 6.040 -5.280 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.354 7.489 -4.331 1.00 24.16 H new ATOM 622 N GLN A 40 -10.052 4.420 -2.806 1.00 11.60 N ATOM 623 CA GLN A 40 -10.558 3.758 -1.629 1.00 10.76 C ATOM 624 C GLN A 40 -9.450 3.367 -0.696 1.00 8.01 C ATOM 625 O GLN A 40 -9.612 3.464 0.507 1.00 8.96 O ATOM 626 CB GLN A 40 -11.468 2.595 -2.104 1.00 11.14 C ATOM 627 CG GLN A 40 -11.988 1.670 -1.043 1.00 14.85 C ATOM 628 CD GLN A 40 -13.083 2.241 -0.211 1.00 16.11 C ATOM 629 OE1 GLN A 40 -12.979 2.423 1.015 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.169 2.587 -0.929 1.00 18.16 N ATOM 0 H GLN A 40 -10.257 3.890 -3.653 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.168 4.427 -1.022 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.321 3.023 -2.630 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -10.911 2.002 -2.830 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.348 0.757 -1.518 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -11.163 1.385 -0.390 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.194 2.411 -1.933 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.967 3.025 -0.468 1.00 18.16 H new ATOM 639 N GLN A 41 -8.369 2.860 -1.267 1.00 6.52 N ATOM 640 CA GLN A 41 -7.238 2.433 -0.415 1.00 3.87 C ATOM 641 C GLN A 41 -6.456 3.539 0.345 1.00 4.79 C ATOM 642 O GLN A 41 -6.086 4.601 -0.271 1.00 6.34 O ATOM 643 CB GLN A 41 -6.162 1.783 -1.224 1.00 4.20 C ATOM 644 CG GLN A 41 -6.643 0.465 -1.947 1.00 3.20 C ATOM 645 CD GLN A 41 -5.531 -0.109 -2.750 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.356 -0.199 -2.340 1.00 5.21 O ATOM 647 NE2 GLN A 41 -5.871 -0.531 -3.993 1.00 7.13 N ATOM 0 H GLN A 41 -8.238 2.732 -2.270 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.758 1.792 0.297 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.801 2.489 -1.971 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.319 1.547 -0.574 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -6.982 -0.262 -1.209 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.493 0.684 -2.593 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.836 -0.450 -4.313 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.162 -0.929 -4.608 1.00 7.13 H new ATOM 656 N ARG A 42 -6.186 3.304 1.624 1.00 5.73 N ATOM 657 CA ARG A 42 -5.272 4.021 2.380 1.00 6.97 C ATOM 658 C ARG A 42 -4.141 3.101 2.716 1.00 7.15 C ATOM 659 O ARG A 42 -4.400 2.036 3.275 1.00 7.33 O ATOM 660 CB ARG A 42 -5.888 4.606 3.649 1.00 13.23 C ATOM 661 CG ARG A 42 -7.011 5.646 3.455 1.00 21.27 C ATOM 662 CD ARG A 42 -7.582 6.023 4.800 1.00 26.14 C ATOM 663 NE ARG A 42 -8.530 7.226 4.736 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.171 7.795 5.718 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.368 7.150 6.831 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.753 8.969 5.521 1.00 36.39 N ATOM 0 H ARG A 42 -6.644 2.561 2.152 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.922 4.874 1.799 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.284 3.784 4.246 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.092 5.069 4.232 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.620 6.531 2.953 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.794 5.237 2.817 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.117 5.168 5.213 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.764 6.248 5.485 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.677 7.631 3.811 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.020 6.197 6.936 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.870 7.598 7.598 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.697 9.419 4.607 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.257 9.423 6.283 1.00 36.39 H new ATOM 680 N LEU A 43 -2.893 3.498 2.463 1.00 4.65 N ATOM 681 CA LEU A 43 -1.769 2.767 2.949 1.00 3.51 C ATOM 682 C LEU A 43 -1.158 3.460 4.125 1.00 5.56 C ATOM 683 O LEU A 43 -0.911 4.652 4.105 1.00 4.19 O ATOM 684 CB LEU A 43 -0.744 2.489 1.834 1.00 3.74 C ATOM 685 CG LEU A 43 -1.271 1.960 0.457 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.037 1.551 -0.291 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.231 0.786 0.579 1.00 6.41 C ATOM 0 H LEU A 43 -2.656 4.328 1.920 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.119 1.793 3.290 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.196 3.413 1.648 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.025 1.764 2.216 1.00 3.74 H new ATOM 0 HG LEU A 43 -1.860 2.715 -0.064 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.215 1.162 -1.278 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.683 2.423 -0.398 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.557 0.782 0.280 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.553 0.475 -0.415 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.729 -0.045 1.074 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.100 1.086 1.165 1.00 6.41 H new ATOM 699 N ILE A 44 -0.930 2.683 5.163 1.00 4.58 N ATOM 700 CA ILE A 44 -0.407 3.236 6.389 1.00 5.55 C ATOM 701 C ILE A 44 0.897 2.449 6.678 1.00 5.46 C ATOM 702 O ILE A 44 0.884 1.212 6.793 1.00 6.04 O ATOM 703 CB ILE A 44 -1.440 3.302 7.551 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.566 4.346 7.160 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.691 3.675 8.909 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.503 4.708 8.344 1.00 13.90 C ATOM 0 H ILE A 44 -1.097 1.677 5.181 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.176 4.296 6.285 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.920 2.337 7.712 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.095 5.255 6.787 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.163 3.938 6.344 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.415 3.721 9.723 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.058 2.915 9.132 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.204 4.644 8.801 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.251 5.427 8.009 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -4.000 3.807 8.703 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.916 5.145 9.152 1.00 13.90 H new ATOM 718 N PHE A 45 1.984 3.236 6.751 1.00 6.75 N ATOM 719 CA PHE A 45 3.213 2.712 7.130 1.00 4.70 C ATOM 720 C PHE A 45 3.851 3.770 7.969 1.00 6.34 C ATOM 721 O PHE A 45 3.892 4.971 7.663 1.00 5.45 O ATOM 722 CB PHE A 45 4.185 2.314 5.982 1.00 5.51 C ATOM 723 CG PHE A 45 5.410 1.600 6.593 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.321 0.276 7.025 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.612 2.281 6.752 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.420 -0.418 7.551 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.760 1.693 7.305 1.00 6.64 C ATOM 728 CZ PHE A 45 7.614 0.332 7.668 1.00 6.84 C ATOM 0 H PHE A 45 1.989 4.234 6.543 1.00 6.75 H new ATOM 0 HA PHE A 45 3.023 1.768 7.641 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.682 1.658 5.271 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.501 3.200 5.430 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.371 -0.233 6.952 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.665 3.312 6.435 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.359 -1.455 7.847 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.683 2.236 7.443 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.482 -0.173 8.065 1.00 6.84 H new ATOM 738 N ALA A 46 4.379 3.397 9.188 1.00 6.53 N ATOM 739 CA ALA A 46 4.829 4.219 10.289 1.00 7.15 C ATOM 740 C ALA A 46 3.865 5.240 10.907 1.00 9.00 C ATOM 741 O ALA A 46 4.223 6.395 11.229 1.00 11.15 O ATOM 742 CB ALA A 46 6.136 4.861 9.893 1.00 8.99 C ATOM 0 H ALA A 46 4.496 2.408 9.408 1.00 6.53 H new ATOM 0 HA ALA A 46 4.927 3.520 11.120 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.496 5.487 10.709 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.872 4.086 9.679 1.00 8.99 H new ATOM 0 HB3 ALA A 46 5.986 5.474 9.004 1.00 8.99 H new ATOM 748 N GLY A 47 2.586 4.845 11.070 1.00 9.35 N ATOM 749 CA GLY A 47 1.556 5.712 11.622 1.00 11.68 C ATOM 750 C GLY A 47 1.042 6.832 10.700 1.00 11.14 C ATOM 751 O GLY A 47 0.230 7.670 11.056 1.00 13.93 O ATOM 0 H GLY A 47 2.251 3.915 10.819 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.708 5.093 11.914 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.945 6.169 12.532 1.00 11.68 H new ATOM 755 N LYS A 48 1.535 6.834 9.463 1.00 10.47 N ATOM 756 CA LYS A 48 1.285 7.907 8.513 1.00 8.82 C ATOM 757 C LYS A 48 0.599 7.381 7.240 1.00 7.68 C ATOM 758 O LYS A 48 0.730 6.177 6.978 1.00 6.47 O ATOM 759 CB LYS A 48 2.547 8.593 8.046 1.00 9.74 C ATOM 760 CG LYS A 48 3.597 8.994 9.073 1.00 14.14 C ATOM 761 CD LYS A 48 4.500 10.267 8.831 1.00 16.32 C ATOM 762 CE LYS A 48 5.803 10.028 8.079 1.00 20.04 C ATOM 763 NZ LYS A 48 5.538 9.706 6.611 1.00 23.92 N ATOM 0 H LYS A 48 2.122 6.086 9.093 1.00 10.47 H new ATOM 0 HA LYS A 48 0.654 8.610 9.057 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.030 7.936 7.323 1.00 9.74 H new ATOM 0 HB3 LYS A 48 2.251 9.495 7.510 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.081 9.139 10.022 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.266 8.143 9.200 1.00 14.14 H new ATOM 0 HD2 LYS A 48 3.915 11.003 8.280 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.738 10.709 9.799 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.436 10.912 8.152 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.349 9.206 8.542 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 6.442 9.548 6.122 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 4.953 8.849 6.544 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 5.038 10.502 6.166 1.00 23.92 H new ATOM 777 N GLN A 49 -0.054 8.226 6.480 1.00 8.89 N ATOM 778 CA GLN A 49 -0.804 7.881 5.329 1.00 7.18 C ATOM 779 C GLN A 49 -0.017 8.110 4.074 1.00 8.23 C ATOM 780 O GLN A 49 0.576 9.173 3.874 1.00 9.70 O ATOM 781 CB GLN A 49 -2.123 8.610 5.301 1.00 11.67 C ATOM 782 CG GLN A 49 -3.037 7.986 4.145 1.00 15.82 C ATOM 783 CD GLN A 49 -4.432 8.683 4.179 1.00 20.21 C ATOM 784 OE1 GLN A 49 -5.283 8.482 5.063 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.749 9.515 3.147 1.00 20.67 N ATOM 0 H GLN A 49 -0.068 9.228 6.672 1.00 8.89 H new ATOM 0 HA GLN A 49 -1.022 6.814 5.381 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.623 8.522 6.266 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.962 9.673 5.122 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.566 8.130 3.172 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -3.148 6.911 4.290 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.068 9.696 2.410 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.668 9.957 3.112 1.00 20.67 H new ATOM 794 N LEU A 50 0.150 7.076 3.222 1.00 6.51 N ATOM 795 CA LEU A 50 1.072 7.160 2.106 1.00 7.41 C ATOM 796 C LEU A 50 0.477 7.801 0.857 1.00 8.27 C ATOM 797 O LEU A 50 -0.665 7.615 0.472 1.00 8.34 O ATOM 798 CB LEU A 50 1.769 5.804 1.817 1.00 7.13 C ATOM 799 CG LEU A 50 2.402 5.091 3.069 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.044 3.727 2.616 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.438 5.875 3.831 1.00 9.11 C ATOM 0 H LEU A 50 -0.344 6.187 3.298 1.00 6.51 H new ATOM 0 HA LEU A 50 1.852 7.851 2.425 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.041 5.130 1.365 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.553 5.968 1.078 1.00 7.13 H new ATOM 0 HG LEU A 50 1.570 4.963 3.762 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.485 3.228 3.479 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.274 3.089 2.182 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.818 3.918 1.873 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.800 5.281 4.670 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.271 6.115 3.170 1.00 9.11 H new ATOM 0 HD23 LEU A 50 2.994 6.798 4.205 1.00 9.11 H new ATOM 813 N GLU A 51 1.392 8.520 0.164 1.00 9.43 N ATOM 814 CA GLU A 51 0.978 9.347 -0.906 1.00 11.90 C ATOM 815 C GLU A 51 1.314 8.718 -2.273 1.00 11.49 C ATOM 816 O GLU A 51 2.462 8.326 -2.440 1.00 9.88 O ATOM 817 CB GLU A 51 1.752 10.712 -0.896 1.00 16.56 C ATOM 818 CG GLU A 51 1.485 11.658 0.276 1.00 26.06 C ATOM 819 CD GLU A 51 2.361 12.935 0.154 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.392 13.627 -0.876 1.00 32.13 O ATOM 821 OE2 GLU A 51 3.060 13.255 1.145 1.00 33.44 O ATOM 0 H GLU A 51 2.395 8.520 0.350 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.096 9.478 -0.774 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.820 10.495 -0.919 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.515 11.242 -1.819 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.431 11.934 0.296 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.700 11.151 1.217 1.00 26.06 H new ATOM 828 N ASP A 52 0.340 8.741 -3.205 1.00 12.71 N ATOM 829 CA ASP A 52 0.276 8.053 -4.484 1.00 16.56 C ATOM 830 C ASP A 52 1.500 8.325 -5.383 1.00 15.83 C ATOM 831 O ASP A 52 2.125 7.371 -5.935 1.00 17.21 O ATOM 832 CB ASP A 52 -1.012 8.454 -5.151 1.00 21.05 C ATOM 833 CG ASP A 52 -2.258 8.129 -4.350 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.511 6.922 -4.059 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.987 9.138 -4.110 1.00 28.37 O ATOM 0 H ASP A 52 -0.499 9.301 -3.053 1.00 12.71 H new ATOM 0 HA ASP A 52 0.298 6.977 -4.312 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.988 9.526 -5.345 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.076 7.957 -6.119 1.00 21.05 H new ATOM 840 N GLY A 53 1.897 9.624 -5.397 1.00 15.00 N ATOM 841 CA GLY A 53 2.945 10.071 -6.245 1.00 11.77 C ATOM 842 C GLY A 53 4.327 9.787 -5.740 1.00 11.10 C ATOM 843 O GLY A 53 5.329 10.223 -6.375 1.00 11.25 O ATOM 0 H GLY A 53 1.483 10.353 -4.816 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.827 9.603 -7.222 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.841 11.146 -6.392 1.00 11.77 H new ATOM 847 N ARG A 54 4.498 9.157 -4.621 1.00 8.53 N ATOM 848 CA ARG A 54 5.771 8.981 -3.995 1.00 9.05 C ATOM 849 C ARG A 54 6.267 7.556 -4.029 1.00 8.96 C ATOM 850 O ARG A 54 5.411 6.628 -4.072 1.00 11.60 O ATOM 851 CB ARG A 54 5.665 9.412 -2.491 1.00 7.97 C ATOM 852 CG ARG A 54 5.354 10.944 -2.344 1.00 9.62 C ATOM 853 CD ARG A 54 6.498 11.842 -2.761 1.00 12.20 C ATOM 854 NE ARG A 54 6.078 13.272 -2.637 1.00 18.23 N ATOM 855 CZ ARG A 54 6.598 14.374 -3.234 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.703 14.264 -4.016 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.032 15.579 -3.192 1.00 23.38 N ATOM 0 H ARG A 54 3.729 8.736 -4.100 1.00 8.53 H new ATOM 0 HA ARG A 54 6.477 9.594 -4.555 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.882 8.833 -2.001 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.599 9.180 -1.980 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.477 11.186 -2.944 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.098 11.155 -1.306 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.370 11.652 -2.136 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.789 11.625 -3.789 1.00 12.20 H new ATOM 0 HE ARG A 54 5.288 13.443 -2.015 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.141 13.353 -4.154 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.094 15.092 -4.465 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.155 15.713 -2.689 1.00 23.38 H new ATOM 0 HH22 ARG A 54 6.476 16.368 -3.663 1.00 23.38 H new ATOM 871 N THR A 55 7.596 7.305 -4.037 1.00 9.05 N ATOM 872 CA THR A 55 8.234 6.012 -4.300 1.00 9.03 C ATOM 873 C THR A 55 8.441 5.239 -2.981 1.00 8.15 C ATOM 874 O THR A 55 8.444 5.852 -1.903 1.00 5.91 O ATOM 875 CB THR A 55 9.440 5.936 -5.192 1.00 11.15 C ATOM 876 OG1 THR A 55 10.532 6.759 -4.726 1.00 11.95 O ATOM 877 CG2 THR A 55 9.040 6.413 -6.592 1.00 11.71 C ATOM 0 H THR A 55 8.278 8.040 -3.850 1.00 9.05 H new ATOM 0 HA THR A 55 7.500 5.528 -4.944 1.00 9.03 H new ATOM 0 HB THR A 55 9.782 4.901 -5.195 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.175 7.528 -4.235 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.905 6.364 -7.254 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.248 5.773 -6.982 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.682 7.441 -6.538 1.00 11.71 H new ATOM 885 N LEU A 56 8.652 3.905 -3.018 1.00 6.91 N ATOM 886 CA LEU A 56 8.978 3.091 -1.838 1.00 8.29 C ATOM 887 C LEU A 56 10.238 3.530 -1.145 1.00 8.05 C ATOM 888 O LEU A 56 10.294 3.549 0.101 1.00 10.17 O ATOM 889 CB LEU A 56 8.932 1.562 -2.002 1.00 6.60 C ATOM 890 CG LEU A 56 7.650 0.877 -1.472 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.446 1.449 -2.210 1.00 9.85 C ATOM 892 CD2 LEU A 56 7.815 -0.613 -1.584 1.00 8.64 C ATOM 0 H LEU A 56 8.599 3.362 -3.880 1.00 6.91 H new ATOM 0 HA LEU A 56 8.129 3.306 -1.189 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.040 1.323 -3.060 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.792 1.132 -1.489 1.00 6.60 H new ATOM 0 HG LEU A 56 7.476 1.080 -0.415 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.536 0.973 -1.845 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.389 2.523 -2.036 1.00 9.85 H new ATOM 0 HD13 LEU A 56 6.551 1.260 -3.278 1.00 9.85 H new ATOM 0 HD21 LEU A 56 6.917 -1.107 -1.213 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.974 -0.884 -2.628 1.00 8.64 H new ATOM 0 HD23 LEU A 56 8.674 -0.929 -0.992 1.00 8.64 H new ATOM 904 N SER A 57 11.236 3.993 -1.873 1.00 8.92 N ATOM 905 CA SER A 57 12.431 4.531 -1.260 1.00 9.00 C ATOM 906 C SER A 57 12.296 5.873 -0.584 1.00 9.44 C ATOM 907 O SER A 57 13.079 6.174 0.297 1.00 10.91 O ATOM 908 CB SER A 57 13.594 4.474 -2.256 1.00 10.32 C ATOM 909 OG SER A 57 13.553 5.533 -3.274 1.00 13.59 O ATOM 0 H SER A 57 11.241 4.006 -2.893 1.00 8.92 H new ATOM 0 HA SER A 57 12.643 3.880 -0.412 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.534 4.545 -1.708 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.588 3.504 -2.753 1.00 10.32 H new ATOM 0 HG SER A 57 14.322 5.440 -3.874 1.00 13.59 H new ATOM 915 N ASP A 58 11.394 6.770 -0.924 1.00 9.11 N ATOM 916 CA ASP A 58 11.253 8.034 -0.294 1.00 7.91 C ATOM 917 C ASP A 58 10.770 7.806 1.156 1.00 9.12 C ATOM 918 O ASP A 58 11.169 8.531 2.105 1.00 8.61 O ATOM 919 CB ASP A 58 10.134 8.771 -1.048 1.00 8.41 C ATOM 920 CG ASP A 58 10.520 9.217 -2.436 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.538 9.940 -2.525 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.799 9.008 -3.448 1.00 11.70 O ATOM 0 H ASP A 58 10.722 6.618 -1.676 1.00 9.11 H new ATOM 0 HA ASP A 58 12.190 8.590 -0.298 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.264 8.117 -1.116 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.832 9.643 -0.468 1.00 8.41 H new ATOM 927 N TYR A 59 9.971 6.805 1.444 1.00 7.97 N ATOM 928 CA TYR A 59 9.451 6.452 2.772 1.00 8.45 C ATOM 929 C TYR A 59 10.347 5.420 3.391 1.00 10.98 C ATOM 930 O TYR A 59 10.153 5.034 4.556 1.00 12.95 O ATOM 931 CB TYR A 59 8.043 5.852 2.618 1.00 7.94 C ATOM 932 CG TYR A 59 7.014 6.803 2.142 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.650 7.873 2.957 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.385 6.714 0.878 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.685 8.792 2.617 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.344 7.642 0.549 1.00 6.52 C ATOM 937 CZ TYR A 59 4.943 8.610 1.437 1.00 6.76 C ATOM 938 OH TYR A 59 3.970 9.520 1.056 1.00 7.63 O ATOM 0 H TYR A 59 9.638 6.167 0.721 1.00 7.97 H new ATOM 0 HA TYR A 59 9.413 7.342 3.400 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.094 5.015 1.922 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.728 5.448 3.580 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.152 7.987 3.906 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.686 5.956 0.170 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.499 9.646 3.251 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.865 7.579 -0.417 1.00 6.52 H new ATOM 0 HH TYR A 59 4.395 10.295 0.633 1.00 7.63 H new ATOM 948 N ASN A 60 11.382 5.002 2.664 1.00 12.38 N ATOM 949 CA ASN A 60 12.393 3.896 2.975 1.00 13.94 C ATOM 950 C ASN A 60 11.723 2.643 3.455 1.00 14.16 C ATOM 951 O ASN A 60 11.942 2.036 4.489 1.00 14.26 O ATOM 952 CB ASN A 60 13.372 4.265 4.106 1.00 19.23 C ATOM 953 CG ASN A 60 14.706 3.550 3.958 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.933 2.709 3.084 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.700 3.971 4.791 1.00 24.09 N ATOM 0 H ASN A 60 11.585 5.438 1.764 1.00 12.38 H new ATOM 0 HA ASN A 60 12.917 3.755 2.030 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.536 5.343 4.107 1.00 19.23 H new ATOM 0 HB3 ASN A 60 12.928 4.009 5.068 1.00 19.23 H new ATOM 0 HD21 ASN A 60 16.641 3.590 4.695 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.502 4.667 5.510 1.00 24.09 H new ATOM 962 N ILE A 61 10.846 2.125 2.569 1.00 11.08 N ATOM 963 CA ILE A 61 10.195 0.877 2.725 1.00 11.78 C ATOM 964 C ILE A 61 11.010 -0.271 2.079 1.00 13.74 C ATOM 965 O ILE A 61 10.985 -0.373 0.882 1.00 14.60 O ATOM 966 CB ILE A 61 8.753 0.853 2.137 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.889 1.952 2.832 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.123 -0.533 2.297 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.743 2.506 1.991 1.00 11.42 C ATOM 0 H ILE A 61 10.587 2.607 1.708 1.00 11.08 H new ATOM 0 HA ILE A 61 10.124 0.728 3.802 1.00 11.78 H new ATOM 0 HB ILE A 61 8.798 1.067 1.069 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.476 1.539 3.752 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.541 2.778 3.117 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.116 -0.526 1.879 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.729 -1.271 1.771 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.075 -0.791 3.355 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.205 3.262 2.563 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.143 2.955 1.082 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.062 1.697 1.727 1.00 11.42 H new ATOM 981 N GLN A 62 11.793 -1.022 2.894 1.00 13.97 N ATOM 982 CA GLN A 62 12.598 -2.141 2.412 1.00 15.52 C ATOM 983 C GLN A 62 11.919 -3.508 2.370 1.00 13.94 C ATOM 984 O GLN A 62 10.778 -3.726 2.891 1.00 12.15 O ATOM 985 CB GLN A 62 13.828 -2.297 3.248 1.00 19.53 C ATOM 986 CG GLN A 62 14.651 -1.003 3.321 1.00 26.38 C ATOM 987 CD GLN A 62 15.943 -1.066 4.203 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.433 0.050 4.440 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.474 -2.229 4.641 1.00 32.71 N ATOM 0 H GLN A 62 11.875 -0.859 3.898 1.00 13.97 H new ATOM 0 HA GLN A 62 12.806 -1.861 1.379 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.544 -2.601 4.255 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.446 -3.095 2.836 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.939 -0.720 2.308 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.011 -0.209 3.704 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.022 -3.114 4.412 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.326 -2.221 5.201 1.00 32.71 H new ATOM 998 N LYS A 63 12.569 -4.486 1.761 1.00 11.73 N ATOM 999 CA LYS A 63 12.019 -5.822 1.571 1.00 11.97 C ATOM 1000 C LYS A 63 11.436 -6.500 2.777 1.00 10.41 C ATOM 1001 O LYS A 63 11.972 -6.451 3.899 1.00 9.59 O ATOM 1002 CB LYS A 63 12.984 -6.802 0.883 1.00 13.73 C ATOM 1003 CG LYS A 63 14.159 -7.359 1.676 1.00 16.98 C ATOM 1004 CD LYS A 63 15.248 -7.949 0.875 1.00 20.19 C ATOM 1005 CE LYS A 63 16.500 -8.578 1.507 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.153 -9.649 2.423 1.00 25.97 N ATOM 0 H LYS A 63 13.508 -4.374 1.378 1.00 11.73 H new ATOM 0 HA LYS A 63 11.183 -5.589 0.912 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.396 -7.648 0.528 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.388 -6.303 0.003 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.575 -6.557 2.286 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.784 -8.119 2.361 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.793 -8.720 0.253 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.599 -7.165 0.204 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.149 -8.965 0.722 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.064 -7.812 2.039 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.021 -10.051 2.831 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.553 -9.273 3.185 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.636 -10.391 1.910 1.00 25.97 H new ATOM 1020 N GLU A 64 10.245 -7.095 2.586 1.00 10.04 N ATOM 1021 CA GLU A 64 9.567 -7.955 3.563 1.00 10.94 C ATOM 1022 C GLU A 64 9.048 -7.212 4.744 1.00 9.74 C ATOM 1023 O GLU A 64 8.477 -7.768 5.700 1.00 9.42 O ATOM 1024 CB GLU A 64 10.375 -9.210 3.815 1.00 18.31 C ATOM 1025 CG GLU A 64 10.482 -9.981 2.528 1.00 24.16 C ATOM 1026 CD GLU A 64 11.555 -11.082 2.575 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.046 -11.462 3.650 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.923 -11.607 1.485 1.00 32.61 O ATOM 0 H GLU A 64 9.715 -6.985 1.721 1.00 10.04 H new ATOM 0 HA GLU A 64 8.633 -8.324 3.139 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.367 -8.953 4.185 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.897 -9.819 4.582 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.516 -10.432 2.300 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.712 -9.291 1.716 1.00 24.16 H new ATOM 1035 N SER A 65 8.907 -5.865 4.527 1.00 6.85 N ATOM 1036 CA SER A 65 8.125 -5.086 5.480 1.00 6.90 C ATOM 1037 C SER A 65 6.673 -5.357 5.538 1.00 4.72 C ATOM 1038 O SER A 65 6.072 -5.805 4.573 1.00 3.91 O ATOM 1039 CB SER A 65 8.360 -3.515 5.256 1.00 7.28 C ATOM 1040 OG SER A 65 9.756 -3.151 5.190 1.00 10.56 O ATOM 0 H SER A 65 9.306 -5.344 3.746 1.00 6.85 H new ATOM 0 HA SER A 65 8.508 -5.421 6.444 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.868 -3.209 4.333 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.886 -2.964 6.068 1.00 7.28 H new ATOM 0 HG SER A 65 10.183 -3.627 4.447 1.00 10.56 H new ATOM 1046 N THR A 66 6.031 -4.979 6.656 1.00 4.48 N ATOM 1047 CA THR A 66 4.594 -5.184 6.818 1.00 3.80 C ATOM 1048 C THR A 66 3.976 -3.811 6.824 1.00 4.60 C ATOM 1049 O THR A 66 4.235 -2.928 7.608 1.00 5.33 O ATOM 1050 CB THR A 66 4.215 -5.799 8.113 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.813 -7.107 8.229 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.674 -6.052 8.131 1.00 3.40 C ATOM 0 H THR A 66 6.487 -4.533 7.452 1.00 4.48 H new ATOM 0 HA THR A 66 4.263 -5.848 6.020 1.00 3.80 H new ATOM 0 HB THR A 66 4.539 -5.131 8.911 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.560 -7.507 9.087 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.391 -6.504 9.081 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.148 -5.105 8.009 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.406 -6.724 7.315 1.00 3.40 H new ATOM 1060 N LEU A 67 3.062 -3.585 5.918 1.00 4.17 N ATOM 1061 CA LEU A 67 2.300 -2.354 5.779 1.00 3.85 C ATOM 1062 C LEU A 67 0.870 -2.638 6.052 1.00 3.80 C ATOM 1063 O LEU A 67 0.366 -3.753 5.973 1.00 5.54 O ATOM 1064 CB LEU A 67 2.429 -1.731 4.399 1.00 7.18 C ATOM 1065 CG LEU A 67 3.965 -1.411 4.020 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.569 -2.700 3.296 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.035 -0.168 3.101 1.00 11.66 C ATOM 0 H LEU A 67 2.810 -4.283 5.219 1.00 4.17 H new ATOM 0 HA LEU A 67 2.705 -1.639 6.495 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.006 -2.406 3.656 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.847 -0.810 4.361 1.00 7.18 H new ATOM 0 HG LEU A 67 4.547 -1.188 4.915 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.609 -2.513 3.027 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.517 -3.554 3.971 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.994 -2.914 2.395 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.075 0.041 2.850 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.473 -0.359 2.187 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.607 0.691 3.618 1.00 11.66 H new ATOM 1079 N HIS A 68 0.127 -1.531 6.303 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.318 -1.571 6.621 1.00 4.17 C ATOM 1081 C HIS A 68 -2.144 -1.011 5.525 1.00 5.32 C ATOM 1082 O HIS A 68 -1.875 0.067 4.958 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.729 -0.777 7.877 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.958 -1.255 9.107 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.256 -0.743 9.421 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.203 -2.219 10.056 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.690 -1.302 10.553 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.196 -2.217 10.978 1.00 16.30 N ATOM 0 H HIS A 68 0.515 -0.588 6.290 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.494 -2.634 6.782 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.542 0.285 7.717 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.799 -0.890 8.048 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.060 -2.876 10.070 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.615 -1.055 11.052 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -0.130 -2.793 11.818 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.194 -1.778 5.133 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.125 -1.560 4.083 1.00 3.97 C ATOM 1098 C LEU A 69 -5.466 -1.313 4.826 1.00 5.07 C ATOM 1099 O LEU A 69 -5.972 -2.134 5.599 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.294 -2.858 3.190 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.407 -2.767 2.172 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.204 -1.581 1.214 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.472 -4.081 1.387 1.00 9.96 C ATOM 0 H LEU A 69 -3.398 -2.650 5.622 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.810 -0.747 3.429 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.356 -3.053 2.670 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.481 -3.712 3.841 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.347 -2.600 2.697 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.024 -1.548 0.497 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.183 -0.652 1.784 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.261 -1.701 0.681 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.273 -4.025 0.650 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.522 -4.249 0.879 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.668 -4.905 2.073 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.939 -0.029 4.629 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.140 0.398 5.351 1.00 6.26 C ATOM 1117 C VAL A 70 -8.081 0.951 4.342 1.00 9.22 C ATOM 1118 O VAL A 70 -7.685 1.694 3.439 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.766 1.448 6.338 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.974 2.207 6.909 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.837 0.839 7.406 1.00 8.54 C ATOM 0 H VAL A 70 -5.520 0.668 4.013 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.602 -0.431 5.888 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.207 2.228 5.821 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.629 2.957 7.621 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.512 2.698 6.098 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.639 1.506 7.414 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.562 1.607 8.130 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.354 0.027 7.917 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.937 0.452 6.928 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.427 0.590 4.413 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.462 1.295 3.604 1.00 16.06 C ATOM 1133 C LEU A 71 -10.832 2.678 4.026 1.00 18.09 C ATOM 1134 O LEU A 71 -10.808 2.980 5.231 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.820 0.481 3.524 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.729 -0.978 3.133 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.016 -1.806 3.432 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -11.207 -1.218 1.727 1.00 19.57 C ATOM 0 H LEU A 71 -9.788 -0.158 5.005 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.953 1.369 2.643 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.307 0.540 4.497 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.473 0.982 2.809 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.964 -1.367 3.805 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.864 -2.840 3.121 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.228 -1.776 4.501 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.857 -1.382 2.883 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -11.174 -2.289 1.529 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.868 -0.736 1.006 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -10.204 -0.801 1.635 1.00 19.57 H new