USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 594 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 62 LYS NZ :NH3+ 176:sc= -0.0861 (180deg=-0.116) USER MOD Set 1.2: A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 22:sc= 0.599 USER MOD Single : A 4 THR OG1 : rot 170:sc= -0.514 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -2 X(o=-2,f=-2.2) USER MOD Single : A 17 SER OG : rot 180:sc= 0.0469 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -1.02 X(o=-1,f=-1.2) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -5.98! C(o=-6!,f=-5.7!) USER MOD Single : A 30 THR OG1 : rot -39:sc= 1.2 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc=-0.00361 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.268 K(o=-0.27,f=-2.5!) USER MOD Single : A 54 THR OG1 : rot -73:sc= 0.487 USER MOD Single : A 56 SER OG : rot 180:sc= 0.00527 USER MOD Single : A 58 GLN : amide:sc= -1.3 X(o=-1.3,f=-0.89) USER MOD Single : A 64 ASN : amide:sc= -6.61! C(o=-6.6!,f=-9.3!) USER MOD Single : A 65 THR OG1 : rot 150:sc= -0.588 USER MOD Single : A 67 GLN : amide:sc= 0.545 K(o=0.54,f=-0.0074) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.348 X(o=-0.35,f=-0.054) USER MOD Single : A 77 ASN : amide:sc= -4.67 K(o=-4.7,f=-5.9) USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 3 -0.351 6.018 0.136 1.00 0.00 N ATOM 43 CA SER A 3 -0.208 4.617 0.512 1.00 0.00 C ATOM 44 C SER A 3 -1.182 4.251 1.628 1.00 0.00 C ATOM 45 O SER A 3 -1.802 3.187 1.605 1.00 0.00 O ATOM 46 CB SER A 3 1.227 4.330 0.958 1.00 0.00 C ATOM 47 OG SER A 3 2.132 5.264 0.395 1.00 0.00 O ATOM 0 HA SER A 3 -0.438 4.007 -0.362 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.288 4.370 2.046 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.509 3.320 0.660 1.00 0.00 H new ATOM 0 HG SER A 3 1.648 6.078 0.145 1.00 0.00 H new ATOM 53 N THR A 4 -1.312 5.142 2.606 1.00 0.00 N ATOM 54 CA THR A 4 -2.208 4.915 3.733 1.00 0.00 C ATOM 55 C THR A 4 -3.641 4.696 3.260 1.00 0.00 C ATOM 56 O THR A 4 -4.386 3.910 3.846 1.00 0.00 O ATOM 57 CB THR A 4 -2.180 6.097 4.720 1.00 0.00 C ATOM 58 OG1 THR A 4 -3.089 5.854 5.800 1.00 0.00 O ATOM 59 CG2 THR A 4 -2.551 7.395 4.021 1.00 0.00 C ATOM 0 H THR A 4 -0.808 6.028 2.640 1.00 0.00 H new ATOM 0 HA THR A 4 -1.855 4.018 4.242 1.00 0.00 H new ATOM 0 HB THR A 4 -1.167 6.191 5.112 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.951 6.525 6.501 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.524 8.215 4.738 1.00 0.00 H new ATOM 0 HG22 THR A 4 -1.841 7.592 3.218 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.555 7.310 3.604 1.00 0.00 H new ATOM 67 N PHE A 5 -4.021 5.396 2.196 1.00 0.00 N ATOM 68 CA PHE A 5 -5.366 5.278 1.644 1.00 0.00 C ATOM 69 C PHE A 5 -5.785 3.815 1.540 1.00 0.00 C ATOM 70 O PHE A 5 -6.950 3.475 1.746 1.00 0.00 O ATOM 71 CB PHE A 5 -5.434 5.939 0.266 1.00 0.00 C ATOM 72 CG PHE A 5 -6.678 6.753 0.052 1.00 0.00 C ATOM 73 CD1 PHE A 5 -7.894 6.333 0.567 1.00 0.00 C ATOM 74 CD2 PHE A 5 -6.632 7.938 -0.664 1.00 0.00 C ATOM 75 CE1 PHE A 5 -9.040 7.080 0.373 1.00 0.00 C ATOM 76 CE2 PHE A 5 -7.775 8.690 -0.861 1.00 0.00 C ATOM 77 CZ PHE A 5 -8.981 8.259 -0.343 1.00 0.00 C ATOM 0 H PHE A 5 -3.417 6.051 1.699 1.00 0.00 H new ATOM 0 HA PHE A 5 -6.054 5.787 2.318 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -4.563 6.581 0.137 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -5.378 5.167 -0.502 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.947 5.411 1.127 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.692 8.278 -1.073 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -9.981 6.742 0.781 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -7.725 9.613 -1.419 1.00 0.00 H new ATOM 0 HZ PHE A 5 -9.876 8.843 -0.498 1.00 0.00 H new ATOM 87 N ASP A 6 -4.827 2.953 1.219 1.00 0.00 N ATOM 88 CA ASP A 6 -5.095 1.525 1.087 1.00 0.00 C ATOM 89 C ASP A 6 -5.753 0.978 2.350 1.00 0.00 C ATOM 90 O ASP A 6 -6.959 0.731 2.376 1.00 0.00 O ATOM 91 CB ASP A 6 -3.799 0.765 0.802 1.00 0.00 C ATOM 92 CG ASP A 6 -3.412 0.810 -0.663 1.00 0.00 C ATOM 93 OD1 ASP A 6 -4.286 1.123 -1.498 1.00 0.00 O ATOM 94 OD2 ASP A 6 -2.235 0.531 -0.975 1.00 0.00 O ATOM 0 H ASP A 6 -3.857 3.218 1.045 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.780 1.384 0.251 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -2.993 1.189 1.401 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -3.914 -0.273 1.113 1.00 0.00 H new ATOM 99 N ASP A 7 -4.953 0.789 3.393 1.00 0.00 N ATOM 100 CA ASP A 7 -5.458 0.271 4.660 1.00 0.00 C ATOM 101 C ASP A 7 -6.646 1.092 5.148 1.00 0.00 C ATOM 102 O ASP A 7 -7.541 0.572 5.816 1.00 0.00 O ATOM 103 CB ASP A 7 -4.350 0.275 5.715 1.00 0.00 C ATOM 104 CG ASP A 7 -3.501 -0.980 5.668 1.00 0.00 C ATOM 105 OD1 ASP A 7 -3.684 -1.785 4.732 1.00 0.00 O ATOM 106 OD2 ASP A 7 -2.654 -1.157 6.569 1.00 0.00 O ATOM 0 H ASP A 7 -3.952 0.986 3.387 1.00 0.00 H new ATOM 0 HA ASP A 7 -5.791 -0.754 4.498 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -3.713 1.147 5.565 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.795 0.372 6.705 1.00 0.00 H new ATOM 111 N ILE A 8 -6.648 2.378 4.813 1.00 0.00 N ATOM 112 CA ILE A 8 -7.727 3.271 5.218 1.00 0.00 C ATOM 113 C ILE A 8 -9.025 2.928 4.495 1.00 0.00 C ATOM 114 O ILE A 8 -10.116 3.103 5.038 1.00 0.00 O ATOM 115 CB ILE A 8 -7.372 4.744 4.940 1.00 0.00 C ATOM 116 CG1 ILE A 8 -6.417 5.272 6.013 1.00 0.00 C ATOM 117 CG2 ILE A 8 -8.634 5.591 4.883 1.00 0.00 C ATOM 118 CD1 ILE A 8 -5.871 6.650 5.710 1.00 0.00 C ATOM 0 H ILE A 8 -5.915 2.825 4.262 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.864 3.134 6.291 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.872 4.806 3.973 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.938 5.299 6.970 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.585 4.576 6.122 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.367 6.629 4.686 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -9.282 5.225 4.086 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -9.159 5.526 5.836 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.202 6.961 6.512 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.322 6.625 4.769 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.695 7.359 5.630 1.00 0.00 H new ATOM 130 N LYS A 9 -8.900 2.435 3.268 1.00 0.00 N ATOM 131 CA LYS A 9 -10.063 2.063 2.470 1.00 0.00 C ATOM 132 C LYS A 9 -10.647 0.737 2.946 1.00 0.00 C ATOM 133 O LYS A 9 -11.831 0.463 2.752 1.00 0.00 O ATOM 134 CB LYS A 9 -9.682 1.964 0.991 1.00 0.00 C ATOM 135 CG LYS A 9 -9.350 0.551 0.542 1.00 0.00 C ATOM 136 CD LYS A 9 -8.436 0.552 -0.671 1.00 0.00 C ATOM 137 CE LYS A 9 -8.927 -0.412 -1.740 1.00 0.00 C ATOM 138 NZ LYS A 9 -9.956 0.211 -2.619 1.00 0.00 N ATOM 0 H LYS A 9 -8.005 2.283 2.804 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.820 2.838 2.592 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.505 2.345 0.386 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.823 2.608 0.802 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.871 0.012 1.359 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.271 0.018 0.305 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.381 1.559 -1.085 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.426 0.276 -0.367 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.083 -0.742 -2.346 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -9.345 -1.299 -1.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -10.265 -0.478 -3.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.772 0.503 -2.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.550 1.043 -3.093 1.00 0.00 H new ATOM 152 N LYS A 10 -9.809 -0.083 3.571 1.00 0.00 N ATOM 153 CA LYS A 10 -10.242 -1.380 4.077 1.00 0.00 C ATOM 154 C LYS A 10 -10.982 -1.227 5.402 1.00 0.00 C ATOM 155 O LYS A 10 -11.952 -1.939 5.667 1.00 0.00 O ATOM 156 CB LYS A 10 -9.038 -2.308 4.257 1.00 0.00 C ATOM 157 CG LYS A 10 -7.957 -2.112 3.209 1.00 0.00 C ATOM 158 CD LYS A 10 -7.000 -3.291 3.168 1.00 0.00 C ATOM 159 CE LYS A 10 -7.387 -4.286 2.084 1.00 0.00 C ATOM 160 NZ LYS A 10 -6.307 -5.280 1.832 1.00 0.00 N ATOM 0 H LYS A 10 -8.825 0.128 3.739 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.924 -1.817 3.348 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.608 -2.144 5.245 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.379 -3.343 4.225 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.418 -1.982 2.230 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.402 -1.199 3.424 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.986 -2.932 2.989 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.995 -3.791 4.137 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.298 -4.807 2.378 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.609 -3.750 1.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.609 -5.940 1.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.444 -4.786 1.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.112 -5.810 2.705 1.00 0.00 H new ATOM 174 N ILE A 11 -10.521 -0.295 6.228 1.00 0.00 N ATOM 175 CA ILE A 11 -11.141 -0.048 7.524 1.00 0.00 C ATOM 176 C ILE A 11 -12.463 0.697 7.367 1.00 0.00 C ATOM 177 O ILE A 11 -13.424 0.434 8.090 1.00 0.00 O ATOM 178 CB ILE A 11 -10.214 0.763 8.447 1.00 0.00 C ATOM 179 CG1 ILE A 11 -9.833 2.090 7.786 1.00 0.00 C ATOM 180 CG2 ILE A 11 -8.968 -0.042 8.787 1.00 0.00 C ATOM 181 CD1 ILE A 11 -8.844 2.904 8.590 1.00 0.00 C ATOM 0 H ILE A 11 -9.720 0.302 6.023 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.327 -1.022 7.976 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.747 0.979 9.373 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.410 1.888 6.802 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.735 2.681 7.630 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.323 0.545 9.440 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.257 -0.963 9.294 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.431 -0.286 7.870 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.620 3.830 8.061 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -9.272 3.137 9.565 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.926 2.332 8.724 1.00 0.00 H new ATOM 193 N ILE A 12 -12.503 1.625 6.418 1.00 0.00 N ATOM 194 CA ILE A 12 -13.707 2.406 6.164 1.00 0.00 C ATOM 195 C ILE A 12 -14.739 1.591 5.392 1.00 0.00 C ATOM 196 O ILE A 12 -15.944 1.789 5.546 1.00 0.00 O ATOM 197 CB ILE A 12 -13.390 3.691 5.376 1.00 0.00 C ATOM 198 CG1 ILE A 12 -12.794 3.343 4.010 1.00 0.00 C ATOM 199 CG2 ILE A 12 -12.437 4.575 6.166 1.00 0.00 C ATOM 200 CD1 ILE A 12 -13.730 3.620 2.854 1.00 0.00 C ATOM 0 H ILE A 12 -11.715 1.855 5.812 1.00 0.00 H new ATOM 0 HA ILE A 12 -14.117 2.678 7.137 1.00 0.00 H new ATOM 0 HB ILE A 12 -14.318 4.241 5.218 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -11.875 3.912 3.868 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -12.520 2.288 4.000 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -12.222 5.479 5.596 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -12.896 4.846 7.117 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -11.509 4.034 6.352 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -13.242 3.350 1.918 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -14.639 3.030 2.973 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -13.985 4.680 2.838 1.00 0.00 H new ATOM 212 N SER A 13 -14.257 0.672 4.561 1.00 0.00 N ATOM 213 CA SER A 13 -15.137 -0.173 3.762 1.00 0.00 C ATOM 214 C SER A 13 -15.764 -1.268 4.620 1.00 0.00 C ATOM 215 O SER A 13 -16.908 -1.666 4.401 1.00 0.00 O ATOM 216 CB SER A 13 -14.362 -0.800 2.602 1.00 0.00 C ATOM 217 OG SER A 13 -15.170 -1.716 1.884 1.00 0.00 O ATOM 0 H SER A 13 -13.262 0.494 4.424 1.00 0.00 H new ATOM 0 HA SER A 13 -15.935 0.452 3.361 1.00 0.00 H new ATOM 0 HB2 SER A 13 -14.010 -0.017 1.930 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.479 -1.312 2.985 1.00 0.00 H new ATOM 0 HG SER A 13 -14.652 -2.102 1.147 1.00 0.00 H new ATOM 223 N LYS A 14 -15.006 -1.752 5.598 1.00 0.00 N ATOM 224 CA LYS A 14 -15.485 -2.799 6.492 1.00 0.00 C ATOM 225 C LYS A 14 -16.303 -2.208 7.635 1.00 0.00 C ATOM 226 O LYS A 14 -17.149 -2.884 8.220 1.00 0.00 O ATOM 227 CB LYS A 14 -14.306 -3.598 7.054 1.00 0.00 C ATOM 228 CG LYS A 14 -13.551 -2.874 8.155 1.00 0.00 C ATOM 229 CD LYS A 14 -13.945 -3.385 9.530 1.00 0.00 C ATOM 230 CE LYS A 14 -13.051 -4.532 9.976 1.00 0.00 C ATOM 231 NZ LYS A 14 -13.776 -5.833 9.973 1.00 0.00 N ATOM 0 H LYS A 14 -14.056 -1.435 5.792 1.00 0.00 H new ATOM 0 HA LYS A 14 -16.127 -3.466 5.917 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.674 -4.548 7.441 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.615 -3.830 6.243 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.479 -3.007 8.010 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -13.751 -1.804 8.092 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.883 -2.572 10.253 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.983 -3.717 9.512 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.186 -4.597 9.316 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -12.673 -4.329 10.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -13.133 -6.589 10.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.587 -5.780 10.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -14.115 -6.039 9.012 1.00 0.00 H new ATOM 245 N GLN A 15 -16.046 -0.941 7.947 1.00 0.00 N ATOM 246 CA GLN A 15 -16.760 -0.259 9.020 1.00 0.00 C ATOM 247 C GLN A 15 -18.108 0.261 8.532 1.00 0.00 C ATOM 248 O GLN A 15 -19.158 -0.128 9.046 1.00 0.00 O ATOM 249 CB GLN A 15 -15.921 0.897 9.565 1.00 0.00 C ATOM 250 CG GLN A 15 -14.920 0.475 10.628 1.00 0.00 C ATOM 251 CD GLN A 15 -15.566 -0.292 11.766 1.00 0.00 C ATOM 252 OE1 GLN A 15 -16.702 -0.015 12.150 1.00 0.00 O ATOM 253 NE2 GLN A 15 -14.842 -1.262 12.312 1.00 0.00 N ATOM 0 H GLN A 15 -15.349 -0.367 7.472 1.00 0.00 H new ATOM 0 HA GLN A 15 -16.937 -0.979 9.819 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -15.386 1.367 8.740 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -16.586 1.652 9.984 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -14.148 -0.144 10.170 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -14.424 1.360 11.027 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -13.904 -1.457 11.962 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -15.224 -1.812 13.082 1.00 0.00 H new ATOM 262 N LEU A 16 -18.073 1.141 7.539 1.00 0.00 N ATOM 263 CA LEU A 16 -19.292 1.716 6.981 1.00 0.00 C ATOM 264 C LEU A 16 -19.440 1.354 5.506 1.00 0.00 C ATOM 265 O LEU A 16 -20.336 0.600 5.128 1.00 0.00 O ATOM 266 CB LEU A 16 -19.286 3.236 7.147 1.00 0.00 C ATOM 267 CG LEU A 16 -18.646 3.769 8.430 1.00 0.00 C ATOM 268 CD1 LEU A 16 -17.149 3.957 8.242 1.00 0.00 C ATOM 269 CD2 LEU A 16 -19.302 5.076 8.849 1.00 0.00 C ATOM 0 H LEU A 16 -17.213 1.473 7.103 1.00 0.00 H new ATOM 0 HA LEU A 16 -20.141 1.301 7.525 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -18.763 3.672 6.296 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -20.316 3.590 7.104 1.00 0.00 H new ATOM 0 HG LEU A 16 -18.802 3.037 9.223 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -16.711 4.337 9.165 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -16.691 3.001 7.990 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -16.970 4.669 7.436 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -18.834 5.441 9.763 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -19.178 5.815 8.058 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -20.364 4.909 9.026 1.00 0.00 H new ATOM 281 N SER A 17 -18.552 1.896 4.678 1.00 0.00 N ATOM 282 CA SER A 17 -18.584 1.632 3.244 1.00 0.00 C ATOM 283 C SER A 17 -17.397 2.287 2.545 1.00 0.00 C ATOM 284 O SER A 17 -16.461 2.755 3.192 1.00 0.00 O ATOM 285 CB SER A 17 -19.893 2.142 2.639 1.00 0.00 C ATOM 286 OG SER A 17 -20.261 1.381 1.502 1.00 0.00 O ATOM 0 H SER A 17 -17.802 2.520 4.975 1.00 0.00 H new ATOM 0 HA SER A 17 -18.520 0.554 3.096 1.00 0.00 H new ATOM 0 HB2 SER A 17 -20.686 2.092 3.386 1.00 0.00 H new ATOM 0 HB3 SER A 17 -19.784 3.190 2.359 1.00 0.00 H new ATOM 0 HG SER A 17 -21.102 1.726 1.135 1.00 0.00 H new ATOM 292 N VAL A 18 -17.444 2.316 1.217 1.00 0.00 N ATOM 293 CA VAL A 18 -16.374 2.915 0.427 1.00 0.00 C ATOM 294 C VAL A 18 -16.677 4.374 0.109 1.00 0.00 C ATOM 295 O VAL A 18 -17.562 4.674 -0.691 1.00 0.00 O ATOM 296 CB VAL A 18 -16.153 2.148 -0.891 1.00 0.00 C ATOM 297 CG1 VAL A 18 -15.506 0.798 -0.621 1.00 0.00 C ATOM 298 CG2 VAL A 18 -17.469 1.979 -1.635 1.00 0.00 C ATOM 0 H VAL A 18 -18.211 1.932 0.665 1.00 0.00 H new ATOM 0 HA VAL A 18 -15.466 2.858 1.028 1.00 0.00 H new ATOM 0 HB VAL A 18 -15.478 2.728 -1.520 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -15.358 0.271 -1.563 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -14.543 0.947 -0.133 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -16.153 0.207 0.027 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -17.295 1.435 -2.564 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -18.169 1.421 -1.014 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -17.887 2.960 -1.862 1.00 0.00 H new ATOM 308 N GLU A 19 -15.934 5.278 0.740 1.00 0.00 N ATOM 309 CA GLU A 19 -16.124 6.708 0.523 1.00 0.00 C ATOM 310 C GLU A 19 -14.789 7.401 0.264 1.00 0.00 C ATOM 311 O GLU A 19 -14.534 8.490 0.776 1.00 0.00 O ATOM 312 CB GLU A 19 -16.813 7.343 1.733 1.00 0.00 C ATOM 313 CG GLU A 19 -16.162 6.990 3.059 1.00 0.00 C ATOM 314 CD GLU A 19 -16.786 5.772 3.711 1.00 0.00 C ATOM 315 OE1 GLU A 19 -17.604 5.100 3.049 1.00 0.00 O ATOM 316 OE2 GLU A 19 -16.458 5.491 4.883 1.00 0.00 O ATOM 0 H GLU A 19 -15.196 5.046 1.405 1.00 0.00 H new ATOM 0 HA GLU A 19 -16.757 6.835 -0.355 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.811 8.427 1.614 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -17.856 7.026 1.754 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -15.099 6.808 2.900 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -16.242 7.840 3.736 1.00 0.00 H new ATOM 323 N GLU A 20 -13.941 6.759 -0.535 1.00 0.00 N ATOM 324 CA GLU A 20 -12.632 7.313 -0.861 1.00 0.00 C ATOM 325 C GLU A 20 -12.768 8.522 -1.782 1.00 0.00 C ATOM 326 O GLU A 20 -11.839 9.319 -1.918 1.00 0.00 O ATOM 327 CB GLU A 20 -11.754 6.249 -1.523 1.00 0.00 C ATOM 328 CG GLU A 20 -12.423 5.552 -2.696 1.00 0.00 C ATOM 329 CD GLU A 20 -11.451 4.723 -3.513 1.00 0.00 C ATOM 330 OE1 GLU A 20 -10.384 5.255 -3.884 1.00 0.00 O ATOM 331 OE2 GLU A 20 -11.759 3.543 -3.782 1.00 0.00 O ATOM 0 H GLU A 20 -14.137 5.856 -0.968 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.160 7.636 0.067 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.830 6.715 -1.867 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.477 5.503 -0.778 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.221 4.909 -2.325 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.889 6.298 -3.340 1.00 0.00 H new ATOM 338 N ASP A 21 -13.930 8.651 -2.413 1.00 0.00 N ATOM 339 CA ASP A 21 -14.188 9.762 -3.321 1.00 0.00 C ATOM 340 C ASP A 21 -14.909 10.897 -2.600 1.00 0.00 C ATOM 341 O ASP A 21 -15.865 11.470 -3.122 1.00 0.00 O ATOM 342 CB ASP A 21 -15.019 9.291 -4.515 1.00 0.00 C ATOM 343 CG ASP A 21 -14.647 10.007 -5.798 1.00 0.00 C ATOM 344 OD1 ASP A 21 -13.463 10.372 -5.953 1.00 0.00 O ATOM 345 OD2 ASP A 21 -15.541 10.203 -6.648 1.00 0.00 O ATOM 0 H ASP A 21 -14.708 8.000 -2.312 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.229 10.135 -3.681 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -14.882 8.218 -4.648 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -16.076 9.454 -4.305 1.00 0.00 H new ATOM 350 N LYS A 22 -14.444 11.217 -1.397 1.00 0.00 N ATOM 351 CA LYS A 22 -15.043 12.283 -0.603 1.00 0.00 C ATOM 352 C LYS A 22 -14.300 12.462 0.717 1.00 0.00 C ATOM 353 O LYS A 22 -14.169 13.579 1.219 1.00 0.00 O ATOM 354 CB LYS A 22 -16.519 11.978 -0.333 1.00 0.00 C ATOM 355 CG LYS A 22 -16.751 10.623 0.312 1.00 0.00 C ATOM 356 CD LYS A 22 -18.175 10.138 0.094 1.00 0.00 C ATOM 357 CE LYS A 22 -19.190 11.108 0.679 1.00 0.00 C ATOM 358 NZ LYS A 22 -20.540 10.492 0.799 1.00 0.00 N ATOM 0 H LYS A 22 -13.653 10.753 -0.950 1.00 0.00 H new ATOM 0 HA LYS A 22 -14.968 13.211 -1.170 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.929 12.754 0.313 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -17.069 12.023 -1.273 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -16.051 9.897 -0.102 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -16.547 10.688 1.381 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -18.360 10.016 -0.973 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -18.301 9.157 0.553 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -18.853 11.438 1.662 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -19.250 11.995 0.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -21.203 11.185 1.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -20.873 10.200 -0.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -20.488 9.660 1.421 1.00 0.00 H new ATOM 372 N ILE A 23 -13.816 11.357 1.272 1.00 0.00 N ATOM 373 CA ILE A 23 -13.083 11.393 2.532 1.00 0.00 C ATOM 374 C ILE A 23 -11.739 12.093 2.366 1.00 0.00 C ATOM 375 O ILE A 23 -11.264 12.770 3.278 1.00 0.00 O ATOM 376 CB ILE A 23 -12.847 9.976 3.087 1.00 0.00 C ATOM 377 CG1 ILE A 23 -12.177 10.048 4.461 1.00 0.00 C ATOM 378 CG2 ILE A 23 -12.000 9.163 2.120 1.00 0.00 C ATOM 379 CD1 ILE A 23 -13.109 10.496 5.565 1.00 0.00 C ATOM 0 H ILE A 23 -13.918 10.425 0.870 1.00 0.00 H new ATOM 0 HA ILE A 23 -13.696 11.953 3.238 1.00 0.00 H new ATOM 0 HB ILE A 23 -13.811 9.480 3.200 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.775 9.066 4.712 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.332 10.735 4.409 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.842 8.164 2.526 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -12.513 9.088 1.161 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.037 9.654 1.979 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.567 10.524 6.510 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.492 11.491 5.337 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -13.941 9.797 5.645 1.00 0.00 H new ATOM 391 N GLN A 24 -11.131 11.925 1.196 1.00 0.00 N ATOM 392 CA GLN A 24 -9.841 12.542 0.911 1.00 0.00 C ATOM 393 C GLN A 24 -10.012 14.007 0.521 1.00 0.00 C ATOM 394 O GLN A 24 -9.584 14.427 -0.553 1.00 0.00 O ATOM 395 CB GLN A 24 -9.126 11.784 -0.209 1.00 0.00 C ATOM 396 CG GLN A 24 -9.966 11.621 -1.466 1.00 0.00 C ATOM 397 CD GLN A 24 -9.512 12.527 -2.593 1.00 0.00 C ATOM 398 OE1 GLN A 24 -8.331 12.563 -2.939 1.00 0.00 O ATOM 399 NE2 GLN A 24 -10.451 13.266 -3.174 1.00 0.00 N ATOM 0 H GLN A 24 -11.511 11.367 0.431 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.236 12.494 1.816 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.206 12.310 -0.463 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -8.839 10.798 0.157 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.919 10.584 -1.798 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -11.009 11.834 -1.232 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -11.418 13.205 -2.855 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -10.205 13.894 -3.939 1.00 0.00 H new ATOM 408 N MET A 25 -10.641 14.778 1.402 1.00 0.00 N ATOM 409 CA MET A 25 -10.868 16.197 1.149 1.00 0.00 C ATOM 410 C MET A 25 -9.637 17.018 1.519 1.00 0.00 C ATOM 411 O MET A 25 -9.635 18.242 1.393 1.00 0.00 O ATOM 412 CB MET A 25 -12.080 16.690 1.941 1.00 0.00 C ATOM 413 CG MET A 25 -13.347 16.797 1.108 1.00 0.00 C ATOM 414 SD MET A 25 -13.865 18.504 0.848 1.00 0.00 S ATOM 415 CE MET A 25 -13.256 18.794 -0.812 1.00 0.00 C ATOM 0 H MET A 25 -11.002 14.445 2.296 1.00 0.00 H new ATOM 0 HA MET A 25 -11.062 16.325 0.084 1.00 0.00 H new ATOM 0 HB2 MET A 25 -12.259 16.011 2.775 1.00 0.00 H new ATOM 0 HB3 MET A 25 -11.852 17.667 2.368 1.00 0.00 H new ATOM 0 HG2 MET A 25 -13.183 16.320 0.142 1.00 0.00 H new ATOM 0 HG3 MET A 25 -14.149 16.249 1.602 1.00 0.00 H new ATOM 0 HE1 MET A 25 -13.500 19.812 -1.117 1.00 0.00 H new ATOM 0 HE2 MET A 25 -12.175 18.659 -0.832 1.00 0.00 H new ATOM 0 HE3 MET A 25 -13.722 18.088 -1.499 1.00 0.00 H new ATOM 425 N ASN A 26 -8.591 16.336 1.975 1.00 0.00 N ATOM 426 CA ASN A 26 -7.354 17.004 2.364 1.00 0.00 C ATOM 427 C ASN A 26 -7.585 17.926 3.557 1.00 0.00 C ATOM 428 O ASN A 26 -6.763 18.794 3.852 1.00 0.00 O ATOM 429 CB ASN A 26 -6.791 17.804 1.187 1.00 0.00 C ATOM 430 CG ASN A 26 -5.302 17.584 0.998 1.00 0.00 C ATOM 431 OD1 ASN A 26 -4.495 18.481 1.241 1.00 0.00 O ATOM 432 ND2 ASN A 26 -4.933 16.386 0.561 1.00 0.00 N ATOM 0 H ASN A 26 -8.575 15.322 2.084 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.633 16.240 2.654 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.316 17.521 0.275 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.981 18.865 1.348 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.945 16.179 0.414 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -5.637 15.673 0.373 1.00 0.00 H new ATOM 439 N SER A 27 -8.709 17.732 4.239 1.00 0.00 N ATOM 440 CA SER A 27 -9.050 18.548 5.398 1.00 0.00 C ATOM 441 C SER A 27 -8.991 17.723 6.680 1.00 0.00 C ATOM 442 O SER A 27 -8.028 17.807 7.441 1.00 0.00 O ATOM 443 CB SER A 27 -10.446 19.151 5.231 1.00 0.00 C ATOM 444 OG SER A 27 -10.419 20.266 4.357 1.00 0.00 O ATOM 0 H SER A 27 -9.399 17.017 4.009 1.00 0.00 H new ATOM 0 HA SER A 27 -8.320 19.354 5.471 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.128 18.395 4.840 1.00 0.00 H new ATOM 0 HB3 SER A 27 -10.832 19.457 6.203 1.00 0.00 H new ATOM 0 HG SER A 27 -11.323 20.632 4.266 1.00 0.00 H new ATOM 450 N ASN A 28 -10.028 16.924 6.911 1.00 0.00 N ATOM 451 CA ASN A 28 -10.095 16.083 8.101 1.00 0.00 C ATOM 452 C ASN A 28 -10.983 14.867 7.858 1.00 0.00 C ATOM 453 O ASN A 28 -11.629 14.755 6.815 1.00 0.00 O ATOM 454 CB ASN A 28 -10.626 16.887 9.290 1.00 0.00 C ATOM 455 CG ASN A 28 -9.986 18.258 9.393 1.00 0.00 C ATOM 456 OD1 ASN A 28 -8.999 18.443 10.106 1.00 0.00 O ATOM 457 ND2 ASN A 28 -10.546 19.228 8.679 1.00 0.00 N ATOM 0 H ASN A 28 -10.833 16.841 6.290 1.00 0.00 H new ATOM 0 HA ASN A 28 -9.087 15.735 8.327 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.706 16.999 9.196 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -10.442 16.333 10.211 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -10.159 20.171 8.708 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.363 19.030 8.102 1.00 0.00 H new ATOM 464 N PHE A 29 -11.011 13.959 8.827 1.00 0.00 N ATOM 465 CA PHE A 29 -11.820 12.750 8.719 1.00 0.00 C ATOM 466 C PHE A 29 -13.103 12.879 9.535 1.00 0.00 C ATOM 467 O PHE A 29 -14.128 12.284 9.201 1.00 0.00 O ATOM 468 CB PHE A 29 -11.022 11.533 9.192 1.00 0.00 C ATOM 469 CG PHE A 29 -10.370 10.772 8.073 1.00 0.00 C ATOM 470 CD1 PHE A 29 -9.335 11.336 7.344 1.00 0.00 C ATOM 471 CD2 PHE A 29 -10.793 9.493 7.749 1.00 0.00 C ATOM 472 CE1 PHE A 29 -8.734 10.638 6.314 1.00 0.00 C ATOM 473 CE2 PHE A 29 -10.195 8.790 6.720 1.00 0.00 C ATOM 474 CZ PHE A 29 -9.165 9.364 6.001 1.00 0.00 C ATOM 0 H PHE A 29 -10.483 14.037 9.696 1.00 0.00 H new ATOM 0 HA PHE A 29 -12.089 12.615 7.671 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -10.254 11.862 9.893 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -11.686 10.863 9.738 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -8.994 12.332 7.584 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -11.599 9.040 8.307 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -7.928 11.089 5.754 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.533 7.793 6.479 1.00 0.00 H new ATOM 0 HZ PHE A 29 -8.697 8.817 5.195 1.00 0.00 H new ATOM 484 N THR A 30 -13.038 13.660 10.609 1.00 0.00 N ATOM 485 CA THR A 30 -14.193 13.867 11.474 1.00 0.00 C ATOM 486 C THR A 30 -14.562 15.343 11.555 1.00 0.00 C ATOM 487 O THR A 30 -15.419 15.738 12.346 1.00 0.00 O ATOM 488 CB THR A 30 -13.931 13.336 12.896 1.00 0.00 C ATOM 489 OG1 THR A 30 -15.078 13.561 13.722 1.00 0.00 O ATOM 490 CG2 THR A 30 -12.716 14.014 13.512 1.00 0.00 C ATOM 0 H THR A 30 -12.198 14.159 10.900 1.00 0.00 H new ATOM 0 HA THR A 30 -15.022 13.312 11.033 1.00 0.00 H new ATOM 0 HB THR A 30 -13.736 12.266 12.830 1.00 0.00 H new ATOM 0 HG1 THR A 30 -15.466 14.436 13.512 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.551 13.623 14.516 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.838 13.817 12.897 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.887 15.089 13.565 1.00 0.00 H new ATOM 498 N LYS A 31 -13.910 16.157 10.731 1.00 0.00 N ATOM 499 CA LYS A 31 -14.171 17.592 10.707 1.00 0.00 C ATOM 500 C LYS A 31 -14.641 18.036 9.326 1.00 0.00 C ATOM 501 O LYS A 31 -15.464 18.944 9.202 1.00 0.00 O ATOM 502 CB LYS A 31 -12.912 18.367 11.103 1.00 0.00 C ATOM 503 CG LYS A 31 -12.025 17.623 12.087 1.00 0.00 C ATOM 504 CD LYS A 31 -10.784 18.428 12.436 1.00 0.00 C ATOM 505 CE LYS A 31 -10.898 19.058 13.815 1.00 0.00 C ATOM 506 NZ LYS A 31 -10.251 20.399 13.867 1.00 0.00 N ATOM 0 H LYS A 31 -13.197 15.847 10.071 1.00 0.00 H new ATOM 0 HA LYS A 31 -14.962 17.804 11.426 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.336 18.591 10.205 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.205 19.321 11.540 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.588 17.408 12.995 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.730 16.664 11.660 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.908 17.781 12.402 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -10.633 19.208 11.690 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.950 19.151 14.086 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.436 18.403 14.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.350 20.795 14.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.242 20.307 13.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.709 21.032 13.181 1.00 0.00 H new ATOM 520 N ASP A 32 -14.115 17.391 8.291 1.00 0.00 N ATOM 521 CA ASP A 32 -14.482 17.719 6.918 1.00 0.00 C ATOM 522 C ASP A 32 -15.788 17.034 6.527 1.00 0.00 C ATOM 523 O ASP A 32 -16.548 17.546 5.704 1.00 0.00 O ATOM 524 CB ASP A 32 -13.367 17.305 5.957 1.00 0.00 C ATOM 525 CG ASP A 32 -13.707 17.609 4.511 1.00 0.00 C ATOM 526 OD1 ASP A 32 -14.394 16.782 3.876 1.00 0.00 O ATOM 527 OD2 ASP A 32 -13.288 18.676 4.015 1.00 0.00 O ATOM 0 H ASP A 32 -13.433 16.638 8.376 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.625 18.798 6.853 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.447 17.823 6.228 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.175 16.237 6.066 1.00 0.00 H new ATOM 532 N LEU A 33 -16.042 15.874 7.122 1.00 0.00 N ATOM 533 CA LEU A 33 -17.256 15.117 6.835 1.00 0.00 C ATOM 534 C LEU A 33 -18.067 14.886 8.106 1.00 0.00 C ATOM 535 O LEU A 33 -19.296 14.859 8.075 1.00 0.00 O ATOM 536 CB LEU A 33 -16.905 13.776 6.190 1.00 0.00 C ATOM 537 CG LEU A 33 -15.593 13.135 6.646 1.00 0.00 C ATOM 538 CD1 LEU A 33 -15.783 11.646 6.891 1.00 0.00 C ATOM 539 CD2 LEU A 33 -14.498 13.373 5.617 1.00 0.00 C ATOM 0 H LEU A 33 -15.424 15.437 7.806 1.00 0.00 H new ATOM 0 HA LEU A 33 -17.861 15.699 6.140 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -17.717 13.076 6.389 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -16.862 13.915 5.110 1.00 0.00 H new ATOM 0 HG LEU A 33 -15.290 13.600 7.584 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -14.839 11.207 7.215 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -16.536 11.498 7.665 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -16.110 11.164 5.969 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.572 12.910 5.958 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -14.793 12.935 4.664 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.343 14.445 5.491 1.00 0.00 H new ATOM 551 N GLY A 34 -17.369 14.722 9.226 1.00 0.00 N ATOM 552 CA GLY A 34 -18.040 14.498 10.493 1.00 0.00 C ATOM 553 C GLY A 34 -19.021 13.344 10.433 1.00 0.00 C ATOM 554 O GLY A 34 -20.183 13.489 10.811 1.00 0.00 O ATOM 0 H GLY A 34 -16.350 14.740 9.278 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -17.296 14.299 11.264 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -18.568 15.405 10.786 1.00 0.00 H new ATOM 558 N ALA A 35 -18.554 12.196 9.955 1.00 0.00 N ATOM 559 CA ALA A 35 -19.399 11.013 9.847 1.00 0.00 C ATOM 560 C ALA A 35 -19.958 10.611 11.207 1.00 0.00 C ATOM 561 O ALA A 35 -21.127 10.857 11.506 1.00 0.00 O ATOM 562 CB ALA A 35 -18.617 9.860 9.234 1.00 0.00 C ATOM 0 H ALA A 35 -17.595 12.060 9.636 1.00 0.00 H new ATOM 0 HA ALA A 35 -20.239 11.255 9.196 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -19.260 8.983 9.159 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -18.272 10.143 8.239 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -17.758 9.627 9.864 1.00 0.00 H new ATOM 568 N ASP A 36 -19.117 9.992 12.028 1.00 0.00 N ATOM 569 CA ASP A 36 -19.528 9.557 13.358 1.00 0.00 C ATOM 570 C ASP A 36 -18.347 8.973 14.127 1.00 0.00 C ATOM 571 O ASP A 36 -17.705 8.006 13.721 1.00 0.00 O ATOM 572 CB ASP A 36 -20.648 8.520 13.255 1.00 0.00 C ATOM 573 CG ASP A 36 -21.933 8.991 13.907 1.00 0.00 C ATOM 574 OD1 ASP A 36 -22.653 9.799 13.284 1.00 0.00 O ATOM 575 OD2 ASP A 36 -22.220 8.549 15.039 1.00 0.00 O ATOM 0 H ASP A 36 -18.147 9.780 11.796 1.00 0.00 H new ATOM 0 HA ASP A 36 -19.898 10.427 13.900 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -20.837 8.297 12.205 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -20.324 7.591 13.725 1.00 0.00 H new ATOM 580 N SER A 37 -18.038 9.577 15.288 1.00 0.00 N ATOM 581 CA SER A 37 -16.936 9.201 16.202 1.00 0.00 C ATOM 582 C SER A 37 -16.776 7.678 16.345 1.00 0.00 C ATOM 583 O SER A 37 -15.667 7.141 16.358 1.00 0.00 O ATOM 584 CB SER A 37 -17.224 9.873 17.554 1.00 0.00 C ATOM 585 OG SER A 37 -18.400 9.331 18.157 1.00 0.00 O ATOM 0 H SER A 37 -18.570 10.376 15.633 1.00 0.00 H new ATOM 0 HA SER A 37 -15.985 9.544 15.794 1.00 0.00 H new ATOM 0 HB2 SER A 37 -16.373 9.735 18.221 1.00 0.00 H new ATOM 0 HB3 SER A 37 -17.346 10.947 17.411 1.00 0.00 H new ATOM 0 HG SER A 37 -18.561 9.774 19.016 1.00 0.00 H new ATOM 590 N LEU A 38 -17.911 6.996 16.453 1.00 0.00 N ATOM 591 CA LEU A 38 -17.920 5.544 16.597 1.00 0.00 C ATOM 592 C LEU A 38 -17.219 4.876 15.418 1.00 0.00 C ATOM 593 O LEU A 38 -16.323 4.052 15.601 1.00 0.00 O ATOM 594 CB LEU A 38 -19.357 5.032 16.708 1.00 0.00 C ATOM 595 CG LEU A 38 -20.247 5.747 17.724 1.00 0.00 C ATOM 596 CD1 LEU A 38 -21.090 6.812 17.040 1.00 0.00 C ATOM 597 CD2 LEU A 38 -21.135 4.747 18.451 1.00 0.00 C ATOM 0 H LEU A 38 -18.837 7.425 16.444 1.00 0.00 H new ATOM 0 HA LEU A 38 -17.379 5.290 17.509 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -19.826 5.109 15.727 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -19.325 3.973 16.964 1.00 0.00 H new ATOM 0 HG LEU A 38 -19.607 6.236 18.458 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -21.717 7.310 17.779 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -20.437 7.544 16.566 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -21.722 6.346 16.284 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -21.762 5.273 19.171 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -21.767 4.230 17.729 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -20.513 4.021 18.974 1.00 0.00 H new ATOM 609 N ASP A 39 -17.633 5.237 14.208 1.00 0.00 N ATOM 610 CA ASP A 39 -17.043 4.675 12.999 1.00 0.00 C ATOM 611 C ASP A 39 -15.611 5.168 12.813 1.00 0.00 C ATOM 612 O ASP A 39 -14.699 4.379 12.565 1.00 0.00 O ATOM 613 CB ASP A 39 -17.885 5.044 11.777 1.00 0.00 C ATOM 614 CG ASP A 39 -19.363 4.779 11.990 1.00 0.00 C ATOM 615 OD1 ASP A 39 -19.726 3.611 12.240 1.00 0.00 O ATOM 616 OD2 ASP A 39 -20.156 5.740 11.907 1.00 0.00 O ATOM 0 H ASP A 39 -18.375 5.916 14.039 1.00 0.00 H new ATOM 0 HA ASP A 39 -17.024 3.590 13.104 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -17.738 6.098 11.543 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -17.537 4.475 10.915 1.00 0.00 H new ATOM 621 N LEU A 40 -15.422 6.478 12.933 1.00 0.00 N ATOM 622 CA LEU A 40 -14.101 7.077 12.777 1.00 0.00 C ATOM 623 C LEU A 40 -13.089 6.414 13.705 1.00 0.00 C ATOM 624 O LEU A 40 -12.037 5.949 13.264 1.00 0.00 O ATOM 625 CB LEU A 40 -14.164 8.579 13.062 1.00 0.00 C ATOM 626 CG LEU A 40 -12.856 9.351 12.884 1.00 0.00 C ATOM 627 CD1 LEU A 40 -11.997 9.242 14.134 1.00 0.00 C ATOM 628 CD2 LEU A 40 -12.097 8.841 11.667 1.00 0.00 C ATOM 0 H LEU A 40 -16.166 7.145 13.138 1.00 0.00 H new ATOM 0 HA LEU A 40 -13.778 6.922 11.748 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -14.916 9.021 12.408 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -14.509 8.720 14.086 1.00 0.00 H new ATOM 0 HG LEU A 40 -13.096 10.402 12.724 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.071 9.798 13.988 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -12.538 9.656 14.985 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.765 8.194 14.326 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.169 9.402 11.556 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.868 7.783 11.798 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -12.709 8.972 10.775 1.00 0.00 H new ATOM 640 N VAL A 41 -13.414 6.371 14.993 1.00 0.00 N ATOM 641 CA VAL A 41 -12.536 5.761 15.984 1.00 0.00 C ATOM 642 C VAL A 41 -12.416 4.258 15.762 1.00 0.00 C ATOM 643 O VAL A 41 -11.425 3.640 16.148 1.00 0.00 O ATOM 644 CB VAL A 41 -13.040 6.019 17.416 1.00 0.00 C ATOM 645 CG1 VAL A 41 -12.140 5.331 18.432 1.00 0.00 C ATOM 646 CG2 VAL A 41 -13.124 7.513 17.691 1.00 0.00 C ATOM 0 H VAL A 41 -14.280 6.752 15.375 1.00 0.00 H new ATOM 0 HA VAL A 41 -11.556 6.222 15.864 1.00 0.00 H new ATOM 0 HB VAL A 41 -14.041 5.599 17.511 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -12.512 5.525 19.438 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -12.137 4.257 18.247 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -11.125 5.718 18.340 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -13.482 7.676 18.708 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -12.136 7.960 17.578 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -13.814 7.975 16.985 1.00 0.00 H new ATOM 656 N GLU A 42 -13.434 3.675 15.136 1.00 0.00 N ATOM 657 CA GLU A 42 -13.443 2.243 14.862 1.00 0.00 C ATOM 658 C GLU A 42 -12.476 1.899 13.732 1.00 0.00 C ATOM 659 O GLU A 42 -11.458 1.241 13.950 1.00 0.00 O ATOM 660 CB GLU A 42 -14.855 1.779 14.499 1.00 0.00 C ATOM 661 CG GLU A 42 -15.642 1.242 15.682 1.00 0.00 C ATOM 662 CD GLU A 42 -15.141 -0.111 16.151 1.00 0.00 C ATOM 663 OE1 GLU A 42 -14.076 -0.548 15.667 1.00 0.00 O ATOM 664 OE2 GLU A 42 -15.813 -0.731 17.001 1.00 0.00 O ATOM 0 H GLU A 42 -14.262 4.172 14.809 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.119 1.725 15.765 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -15.401 2.614 14.059 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.789 1.004 13.736 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.582 1.953 16.506 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -16.694 1.160 15.407 1.00 0.00 H new ATOM 671 N LEU A 43 -12.803 2.347 12.526 1.00 0.00 N ATOM 672 CA LEU A 43 -11.965 2.087 11.360 1.00 0.00 C ATOM 673 C LEU A 43 -10.499 2.371 11.669 1.00 0.00 C ATOM 674 O LEU A 43 -9.610 1.637 11.237 1.00 0.00 O ATOM 675 CB LEU A 43 -12.423 2.942 10.177 1.00 0.00 C ATOM 676 CG LEU A 43 -12.315 4.456 10.362 1.00 0.00 C ATOM 677 CD1 LEU A 43 -11.054 4.987 9.698 1.00 0.00 C ATOM 678 CD2 LEU A 43 -13.548 5.151 9.801 1.00 0.00 C ATOM 0 H LEU A 43 -13.642 2.892 12.329 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.065 1.033 11.099 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.837 2.660 9.302 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.462 2.696 9.957 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.256 4.669 11.429 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.995 6.066 9.840 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.180 4.513 10.145 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.082 4.763 8.632 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.454 6.228 9.941 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.638 4.930 8.737 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.436 4.793 10.322 1.00 0.00 H new ATOM 690 N ILE A 44 -10.254 3.438 12.422 1.00 0.00 N ATOM 691 CA ILE A 44 -8.896 3.816 12.792 1.00 0.00 C ATOM 692 C ILE A 44 -8.249 2.752 13.672 1.00 0.00 C ATOM 693 O ILE A 44 -7.133 2.307 13.407 1.00 0.00 O ATOM 694 CB ILE A 44 -8.869 5.165 13.534 1.00 0.00 C ATOM 695 CG1 ILE A 44 -9.138 6.314 12.560 1.00 0.00 C ATOM 696 CG2 ILE A 44 -7.532 5.359 14.233 1.00 0.00 C ATOM 697 CD1 ILE A 44 -9.171 7.673 13.222 1.00 0.00 C ATOM 0 H ILE A 44 -10.978 4.056 12.788 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.331 3.909 11.864 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.655 5.162 14.289 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.368 6.313 11.789 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.090 6.140 12.059 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.529 6.317 14.753 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.378 4.555 14.953 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.730 5.344 13.495 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -9.366 8.439 12.471 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -9.960 7.692 13.974 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.211 7.869 13.699 1.00 0.00 H new ATOM 709 N MET A 45 -8.960 2.346 14.719 1.00 0.00 N ATOM 710 CA MET A 45 -8.456 1.331 15.637 1.00 0.00 C ATOM 711 C MET A 45 -8.033 0.076 14.880 1.00 0.00 C ATOM 712 O MET A 45 -7.166 -0.671 15.334 1.00 0.00 O ATOM 713 CB MET A 45 -9.522 0.979 16.677 1.00 0.00 C ATOM 714 CG MET A 45 -10.385 -0.209 16.283 1.00 0.00 C ATOM 715 SD MET A 45 -9.755 -1.770 16.928 1.00 0.00 S ATOM 716 CE MET A 45 -11.147 -2.317 17.913 1.00 0.00 C ATOM 0 H MET A 45 -9.886 2.704 14.953 1.00 0.00 H new ATOM 0 HA MET A 45 -7.583 1.738 16.146 1.00 0.00 H new ATOM 0 HB2 MET A 45 -9.034 0.764 17.628 1.00 0.00 H new ATOM 0 HB3 MET A 45 -10.163 1.846 16.837 1.00 0.00 H new ATOM 0 HG2 MET A 45 -11.400 -0.053 16.648 1.00 0.00 H new ATOM 0 HG3 MET A 45 -10.443 -0.266 15.196 1.00 0.00 H new ATOM 0 HE1 MET A 45 -10.910 -3.274 18.378 1.00 0.00 H new ATOM 0 HE2 MET A 45 -11.357 -1.579 18.687 1.00 0.00 H new ATOM 0 HE3 MET A 45 -12.022 -2.432 17.274 1.00 0.00 H new ATOM 726 N ALA A 46 -8.651 -0.150 13.725 1.00 0.00 N ATOM 727 CA ALA A 46 -8.336 -1.314 12.906 1.00 0.00 C ATOM 728 C ALA A 46 -7.069 -1.084 12.090 1.00 0.00 C ATOM 729 O ALA A 46 -6.263 -1.998 11.904 1.00 0.00 O ATOM 730 CB ALA A 46 -9.504 -1.644 11.988 1.00 0.00 C ATOM 0 H ALA A 46 -9.372 0.457 13.336 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.160 -2.159 13.571 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.256 -2.515 11.382 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.388 -1.859 12.588 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.706 -0.794 11.336 1.00 0.00 H new ATOM 736 N LEU A 47 -6.897 0.140 11.604 1.00 0.00 N ATOM 737 CA LEU A 47 -5.727 0.490 10.806 1.00 0.00 C ATOM 738 C LEU A 47 -4.441 0.255 11.593 1.00 0.00 C ATOM 739 O LEU A 47 -3.478 -0.305 11.072 1.00 0.00 O ATOM 740 CB LEU A 47 -5.806 1.951 10.362 1.00 0.00 C ATOM 741 CG LEU A 47 -5.353 2.243 8.931 1.00 0.00 C ATOM 742 CD1 LEU A 47 -5.450 3.732 8.633 1.00 0.00 C ATOM 743 CD2 LEU A 47 -3.932 1.745 8.709 1.00 0.00 C ATOM 0 H LEU A 47 -7.553 0.907 11.749 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.715 -0.151 9.924 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.837 2.288 10.471 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.201 2.550 11.043 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.014 1.712 8.246 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.123 3.920 7.610 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.483 4.060 8.750 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.813 4.284 9.325 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.626 1.961 7.685 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.258 2.247 9.403 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.893 0.669 8.880 1.00 0.00 H new ATOM 755 N GLU A 48 -4.437 0.685 12.851 1.00 0.00 N ATOM 756 CA GLU A 48 -3.270 0.520 13.710 1.00 0.00 C ATOM 757 C GLU A 48 -3.124 -0.932 14.156 1.00 0.00 C ATOM 758 O GLU A 48 -2.024 -1.484 14.156 1.00 0.00 O ATOM 759 CB GLU A 48 -3.376 1.433 14.933 1.00 0.00 C ATOM 760 CG GLU A 48 -4.634 1.205 15.756 1.00 0.00 C ATOM 761 CD GLU A 48 -4.403 0.269 16.926 1.00 0.00 C ATOM 762 OE1 GLU A 48 -3.312 0.329 17.529 1.00 0.00 O ATOM 763 OE2 GLU A 48 -5.316 -0.524 17.239 1.00 0.00 O ATOM 0 H GLU A 48 -5.228 1.150 13.297 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.386 0.796 13.136 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.504 1.278 15.568 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.351 2.472 14.604 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.999 2.162 16.128 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.414 0.794 15.115 1.00 0.00 H new ATOM 770 N GLU A 49 -4.242 -1.543 14.536 1.00 0.00 N ATOM 771 CA GLU A 49 -4.237 -2.930 14.986 1.00 0.00 C ATOM 772 C GLU A 49 -3.549 -3.831 13.966 1.00 0.00 C ATOM 773 O GLU A 49 -2.886 -4.804 14.326 1.00 0.00 O ATOM 774 CB GLU A 49 -5.668 -3.416 15.228 1.00 0.00 C ATOM 775 CG GLU A 49 -5.745 -4.762 15.928 1.00 0.00 C ATOM 776 CD GLU A 49 -6.534 -5.787 15.138 1.00 0.00 C ATOM 777 OE1 GLU A 49 -6.187 -6.027 13.963 1.00 0.00 O ATOM 778 OE2 GLU A 49 -7.501 -6.349 15.695 1.00 0.00 O ATOM 0 H GLU A 49 -5.161 -1.100 14.541 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.680 -2.979 15.922 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.198 -2.675 15.826 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.186 -3.484 14.271 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.736 -5.138 16.097 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.205 -4.632 16.908 1.00 0.00 H new ATOM 785 N LYS A 50 -3.710 -3.501 12.689 1.00 0.00 N ATOM 786 CA LYS A 50 -3.105 -4.278 11.614 1.00 0.00 C ATOM 787 C LYS A 50 -1.650 -3.871 11.402 1.00 0.00 C ATOM 788 O LYS A 50 -0.780 -4.720 11.205 1.00 0.00 O ATOM 789 CB LYS A 50 -3.892 -4.091 10.315 1.00 0.00 C ATOM 790 CG LYS A 50 -3.297 -4.832 9.131 1.00 0.00 C ATOM 791 CD LYS A 50 -3.990 -4.456 7.832 1.00 0.00 C ATOM 792 CE LYS A 50 -5.407 -5.006 7.777 1.00 0.00 C ATOM 793 NZ LYS A 50 -6.425 -3.918 7.783 1.00 0.00 N ATOM 0 H LYS A 50 -4.255 -2.699 12.373 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.133 -5.330 11.900 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.916 -4.431 10.468 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.941 -3.028 10.080 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.234 -4.605 9.056 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.383 -5.907 9.293 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.016 -3.371 7.733 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.417 -4.840 6.988 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -5.527 -5.611 6.878 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.574 -5.665 8.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.378 -4.334 7.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.327 -3.356 8.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.282 -3.304 6.956 1.00 0.00 H new ATOM 807 N PHE A 51 -1.392 -2.568 11.445 1.00 0.00 N ATOM 808 CA PHE A 51 -0.042 -2.049 11.258 1.00 0.00 C ATOM 809 C PHE A 51 0.870 -2.481 12.403 1.00 0.00 C ATOM 810 O PHE A 51 2.092 -2.375 12.310 1.00 0.00 O ATOM 811 CB PHE A 51 -0.069 -0.523 11.160 1.00 0.00 C ATOM 812 CG PHE A 51 0.016 -0.011 9.750 1.00 0.00 C ATOM 813 CD1 PHE A 51 1.016 -0.451 8.899 1.00 0.00 C ATOM 814 CD2 PHE A 51 -0.905 0.910 9.277 1.00 0.00 C ATOM 815 CE1 PHE A 51 1.097 0.018 7.601 1.00 0.00 C ATOM 816 CE2 PHE A 51 -0.829 1.382 7.981 1.00 0.00 C ATOM 817 CZ PHE A 51 0.173 0.936 7.142 1.00 0.00 C ATOM 0 H PHE A 51 -2.100 -1.852 11.608 1.00 0.00 H new ATOM 0 HA PHE A 51 0.353 -2.459 10.328 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.987 -0.154 11.617 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.761 -0.115 11.737 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.741 -1.169 9.253 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.691 1.263 9.929 1.00 0.00 H new ATOM 0 HE1 PHE A 51 1.882 -0.333 6.947 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -1.553 2.100 7.624 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.234 1.304 6.129 1.00 0.00 H new ATOM 827 N ASN A 52 0.265 -2.968 13.482 1.00 0.00 N ATOM 828 CA ASN A 52 1.022 -3.414 14.646 1.00 0.00 C ATOM 829 C ASN A 52 1.724 -2.240 15.321 1.00 0.00 C ATOM 830 O ASN A 52 2.921 -2.297 15.603 1.00 0.00 O ATOM 831 CB ASN A 52 2.050 -4.471 14.237 1.00 0.00 C ATOM 832 CG ASN A 52 2.593 -5.239 15.426 1.00 0.00 C ATOM 833 OD1 ASN A 52 2.472 -4.802 16.570 1.00 0.00 O ATOM 834 ND2 ASN A 52 3.197 -6.392 15.160 1.00 0.00 N ATOM 0 H ASN A 52 -0.746 -3.064 13.574 1.00 0.00 H new ATOM 0 HA ASN A 52 0.322 -3.853 15.357 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.591 -5.168 13.536 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.875 -3.988 13.712 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.583 -6.953 15.920 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.275 -6.716 14.196 1.00 0.00 H new ATOM 841 N VAL A 53 0.970 -1.176 15.579 1.00 0.00 N ATOM 842 CA VAL A 53 1.519 0.011 16.224 1.00 0.00 C ATOM 843 C VAL A 53 0.827 0.284 17.555 1.00 0.00 C ATOM 844 O VAL A 53 -0.042 -0.476 17.983 1.00 0.00 O ATOM 845 CB VAL A 53 1.382 1.253 15.323 1.00 0.00 C ATOM 846 CG1 VAL A 53 2.714 1.590 14.671 1.00 0.00 C ATOM 847 CG2 VAL A 53 0.305 1.031 14.271 1.00 0.00 C ATOM 0 H VAL A 53 -0.022 -1.112 15.351 1.00 0.00 H new ATOM 0 HA VAL A 53 2.576 -0.186 16.401 1.00 0.00 H new ATOM 0 HB VAL A 53 1.084 2.099 15.943 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.597 2.470 14.038 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.456 1.794 15.443 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.045 0.748 14.063 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.221 1.918 13.643 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.571 0.173 13.653 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.650 0.843 14.762 1.00 0.00 H new ATOM 857 N THR A 54 1.219 1.374 18.207 1.00 0.00 N ATOM 858 CA THR A 54 0.637 1.748 19.490 1.00 0.00 C ATOM 859 C THR A 54 0.301 3.234 19.530 1.00 0.00 C ATOM 860 O THR A 54 0.918 4.000 20.271 1.00 0.00 O ATOM 861 CB THR A 54 1.588 1.417 20.655 1.00 0.00 C ATOM 862 OG1 THR A 54 1.041 1.900 21.887 1.00 0.00 O ATOM 863 CG2 THR A 54 2.960 2.035 20.427 1.00 0.00 C ATOM 0 H THR A 54 1.937 2.014 17.867 1.00 0.00 H new ATOM 0 HA THR A 54 -0.279 1.169 19.602 1.00 0.00 H new ATOM 0 HB THR A 54 1.699 0.334 20.707 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.112 2.877 21.915 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.614 1.787 21.263 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.387 1.643 19.504 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.863 3.118 20.351 1.00 0.00 H new ATOM 871 N ILE A 55 -0.680 3.636 18.728 1.00 0.00 N ATOM 872 CA ILE A 55 -1.099 5.031 18.674 1.00 0.00 C ATOM 873 C ILE A 55 -2.365 5.257 19.494 1.00 0.00 C ATOM 874 O ILE A 55 -3.122 4.323 19.756 1.00 0.00 O ATOM 875 CB ILE A 55 -1.351 5.487 17.225 1.00 0.00 C ATOM 876 CG1 ILE A 55 -0.424 4.740 16.264 1.00 0.00 C ATOM 877 CG2 ILE A 55 -1.151 6.990 17.101 1.00 0.00 C ATOM 878 CD1 ILE A 55 -1.062 3.520 15.636 1.00 0.00 C ATOM 0 H ILE A 55 -1.199 3.015 18.107 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.286 5.621 19.096 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.382 5.254 16.960 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.107 5.421 15.475 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.474 4.435 16.801 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.333 7.297 16.071 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.848 7.506 17.762 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.129 7.245 17.381 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.348 3.040 14.967 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.354 2.819 16.418 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.944 3.821 15.070 1.00 0.00 H new ATOM 890 N SER A 56 -2.588 6.504 19.895 1.00 0.00 N ATOM 891 CA SER A 56 -3.762 6.854 20.687 1.00 0.00 C ATOM 892 C SER A 56 -4.069 8.344 20.574 1.00 0.00 C ATOM 893 O SER A 56 -5.006 8.745 19.884 1.00 0.00 O ATOM 894 CB SER A 56 -3.545 6.476 22.153 1.00 0.00 C ATOM 895 OG SER A 56 -2.182 6.609 22.518 1.00 0.00 O ATOM 0 H SER A 56 -1.972 7.289 19.685 1.00 0.00 H new ATOM 0 HA SER A 56 -4.613 6.295 20.297 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.159 7.112 22.790 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.871 5.449 22.319 1.00 0.00 H new ATOM 0 HG SER A 56 -2.070 6.363 23.460 1.00 0.00 H new ATOM 901 N ASP A 57 -3.273 9.159 21.257 1.00 0.00 N ATOM 902 CA ASP A 57 -3.458 10.605 21.234 1.00 0.00 C ATOM 903 C ASP A 57 -3.024 11.187 19.892 1.00 0.00 C ATOM 904 O ASP A 57 -3.231 12.370 19.622 1.00 0.00 O ATOM 905 CB ASP A 57 -2.667 11.260 22.368 1.00 0.00 C ATOM 906 CG ASP A 57 -2.851 12.765 22.408 1.00 0.00 C ATOM 907 OD1 ASP A 57 -3.946 13.238 22.038 1.00 0.00 O ATOM 908 OD2 ASP A 57 -1.900 13.468 22.808 1.00 0.00 O ATOM 0 H ASP A 57 -2.493 8.843 21.834 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.519 10.813 21.374 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.981 10.833 23.320 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.608 11.029 22.249 1.00 0.00 H new ATOM 913 N GLN A 58 -2.420 10.348 19.057 1.00 0.00 N ATOM 914 CA GLN A 58 -1.956 10.781 17.744 1.00 0.00 C ATOM 915 C GLN A 58 -2.662 10.008 16.635 1.00 0.00 C ATOM 916 O GLN A 58 -2.395 10.218 15.451 1.00 0.00 O ATOM 917 CB GLN A 58 -0.442 10.593 17.628 1.00 0.00 C ATOM 918 CG GLN A 58 0.319 10.997 18.881 1.00 0.00 C ATOM 919 CD GLN A 58 -0.101 12.355 19.406 1.00 0.00 C ATOM 920 OE1 GLN A 58 -0.321 13.291 18.635 1.00 0.00 O ATOM 921 NE2 GLN A 58 -0.214 12.472 20.724 1.00 0.00 N ATOM 0 H GLN A 58 -2.241 9.366 19.266 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.194 11.839 17.633 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.230 9.547 17.406 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.075 11.179 16.785 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.160 10.247 19.656 1.00 0.00 H new ATOM 0 HG3 GLN A 58 1.387 11.010 18.664 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.022 11.671 21.325 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.493 13.363 21.135 1.00 0.00 H new ATOM 930 N ASP A 59 -3.564 9.114 17.025 1.00 0.00 N ATOM 931 CA ASP A 59 -4.309 8.310 16.064 1.00 0.00 C ATOM 932 C ASP A 59 -5.686 8.913 15.804 1.00 0.00 C ATOM 933 O ASP A 59 -6.469 8.381 15.017 1.00 0.00 O ATOM 934 CB ASP A 59 -4.455 6.874 16.571 1.00 0.00 C ATOM 935 CG ASP A 59 -4.269 5.850 15.469 1.00 0.00 C ATOM 936 OD1 ASP A 59 -3.431 6.087 14.575 1.00 0.00 O ATOM 937 OD2 ASP A 59 -4.962 4.811 15.502 1.00 0.00 O ATOM 0 H ASP A 59 -3.797 8.928 18.001 1.00 0.00 H new ATOM 0 HA ASP A 59 -3.753 8.301 15.127 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.723 6.693 17.358 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.441 6.748 17.018 1.00 0.00 H new ATOM 942 N ALA A 60 -5.975 10.025 16.471 1.00 0.00 N ATOM 943 CA ALA A 60 -7.257 10.700 16.312 1.00 0.00 C ATOM 944 C ALA A 60 -7.067 12.127 15.807 1.00 0.00 C ATOM 945 O ALA A 60 -8.036 12.861 15.611 1.00 0.00 O ATOM 946 CB ALA A 60 -8.021 10.701 17.628 1.00 0.00 C ATOM 0 H ALA A 60 -5.338 10.478 17.127 1.00 0.00 H new ATOM 0 HA ALA A 60 -7.837 10.153 15.569 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -8.976 11.208 17.494 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.197 9.674 17.947 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.437 11.221 18.387 1.00 0.00 H new ATOM 952 N LEU A 61 -5.813 12.514 15.599 1.00 0.00 N ATOM 953 CA LEU A 61 -5.496 13.854 15.118 1.00 0.00 C ATOM 954 C LEU A 61 -4.286 13.826 14.190 1.00 0.00 C ATOM 955 O LEU A 61 -3.305 14.538 14.409 1.00 0.00 O ATOM 956 CB LEU A 61 -5.227 14.790 16.297 1.00 0.00 C ATOM 957 CG LEU A 61 -4.489 14.176 17.488 1.00 0.00 C ATOM 958 CD1 LEU A 61 -3.315 15.051 17.897 1.00 0.00 C ATOM 959 CD2 LEU A 61 -5.440 13.974 18.658 1.00 0.00 C ATOM 0 H LEU A 61 -5.000 11.919 15.756 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.354 14.225 14.557 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.648 15.640 15.935 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.181 15.181 16.649 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.102 13.202 17.188 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.802 14.598 18.746 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.622 15.143 17.061 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.678 16.039 18.178 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.898 13.536 19.496 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.857 14.935 18.958 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.247 13.305 18.359 1.00 0.00 H new ATOM 971 N LYS A 62 -4.363 13.002 13.151 1.00 0.00 N ATOM 972 CA LYS A 62 -3.276 12.883 12.186 1.00 0.00 C ATOM 973 C LYS A 62 -3.801 12.427 10.828 1.00 0.00 C ATOM 974 O LYS A 62 -3.513 13.044 9.802 1.00 0.00 O ATOM 975 CB LYS A 62 -2.221 11.898 12.693 1.00 0.00 C ATOM 976 CG LYS A 62 -0.992 12.572 13.281 1.00 0.00 C ATOM 977 CD LYS A 62 0.244 11.700 13.136 1.00 0.00 C ATOM 978 CE LYS A 62 0.096 10.392 13.897 1.00 0.00 C ATOM 979 NZ LYS A 62 1.369 9.619 13.925 1.00 0.00 N ATOM 0 H LYS A 62 -5.167 12.406 12.955 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.820 13.866 12.068 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.670 11.256 13.450 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.913 11.253 11.870 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.826 13.527 12.782 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.164 12.789 14.335 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.421 11.490 12.081 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.116 12.240 13.504 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.225 10.600 14.918 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.685 9.789 13.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.245 8.768 14.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.627 9.340 12.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.125 10.209 14.328 1.00 0.00 H new ATOM 993 N ILE A 63 -4.573 11.346 10.831 1.00 0.00 N ATOM 994 CA ILE A 63 -5.140 10.810 9.599 1.00 0.00 C ATOM 995 C ILE A 63 -6.126 11.792 8.975 1.00 0.00 C ATOM 996 O ILE A 63 -6.482 11.670 7.804 1.00 0.00 O ATOM 997 CB ILE A 63 -5.856 9.469 9.846 1.00 0.00 C ATOM 998 CG1 ILE A 63 -4.852 8.406 10.298 1.00 0.00 C ATOM 999 CG2 ILE A 63 -6.583 9.017 8.589 1.00 0.00 C ATOM 1000 CD1 ILE A 63 -4.610 8.400 11.791 1.00 0.00 C ATOM 0 H ILE A 63 -4.820 10.824 11.672 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.308 10.648 8.913 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.592 9.608 10.638 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.213 7.424 9.993 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.905 8.571 9.785 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.084 8.068 8.780 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.322 9.767 8.306 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.865 8.892 7.779 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.888 7.622 12.039 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.219 9.369 12.100 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.548 8.204 12.311 1.00 0.00 H new ATOM 1012 N ASN A 64 -6.563 12.767 9.766 1.00 0.00 N ATOM 1013 CA ASN A 64 -7.507 13.771 9.291 1.00 0.00 C ATOM 1014 C ASN A 64 -7.144 14.236 7.884 1.00 0.00 C ATOM 1015 O ASN A 64 -7.995 14.285 6.995 1.00 0.00 O ATOM 1016 CB ASN A 64 -7.533 14.968 10.244 1.00 0.00 C ATOM 1017 CG ASN A 64 -6.334 14.995 11.172 1.00 0.00 C ATOM 1018 OD1 ASN A 64 -6.416 14.568 12.323 1.00 0.00 O ATOM 1019 ND2 ASN A 64 -5.211 15.499 10.672 1.00 0.00 N ATOM 0 H ASN A 64 -6.278 12.883 10.739 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.497 13.317 9.261 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.561 15.890 9.664 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.447 14.937 10.837 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.371 15.543 11.249 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.189 15.842 9.712 1.00 0.00 H new ATOM 1026 N THR A 65 -5.874 14.577 7.688 1.00 0.00 N ATOM 1027 CA THR A 65 -5.398 15.038 6.390 1.00 0.00 C ATOM 1028 C THR A 65 -4.685 13.920 5.637 1.00 0.00 C ATOM 1029 O THR A 65 -3.739 13.320 6.147 1.00 0.00 O ATOM 1030 CB THR A 65 -4.441 16.236 6.535 1.00 0.00 C ATOM 1031 OG1 THR A 65 -3.117 15.772 6.822 1.00 0.00 O ATOM 1032 CG2 THR A 65 -4.908 17.170 7.641 1.00 0.00 C ATOM 0 H THR A 65 -5.157 14.542 8.412 1.00 0.00 H new ATOM 0 HA THR A 65 -6.276 15.351 5.825 1.00 0.00 H new ATOM 0 HB THR A 65 -4.437 16.787 5.594 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.463 16.403 6.456 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.217 18.009 7.725 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.905 17.543 7.405 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.938 16.628 8.586 1.00 0.00 H new ATOM 1040 N VAL A 66 -5.144 13.646 4.420 1.00 0.00 N ATOM 1041 CA VAL A 66 -4.548 12.601 3.596 1.00 0.00 C ATOM 1042 C VAL A 66 -3.026 12.648 3.664 1.00 0.00 C ATOM 1043 O VAL A 66 -2.363 11.612 3.669 1.00 0.00 O ATOM 1044 CB VAL A 66 -4.988 12.727 2.125 1.00 0.00 C ATOM 1045 CG1 VAL A 66 -4.268 11.702 1.262 1.00 0.00 C ATOM 1046 CG2 VAL A 66 -6.497 12.570 2.006 1.00 0.00 C ATOM 0 H VAL A 66 -5.926 14.133 3.983 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.898 11.648 3.993 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.719 13.721 1.767 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.592 11.806 0.226 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.192 11.866 1.324 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.503 10.698 1.616 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.791 12.662 0.960 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.792 11.590 2.381 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -6.991 13.346 2.591 1.00 0.00 H new ATOM 1056 N GLN A 67 -2.478 13.858 3.718 1.00 0.00 N ATOM 1057 CA GLN A 67 -1.033 14.040 3.786 1.00 0.00 C ATOM 1058 C GLN A 67 -0.480 13.516 5.107 1.00 0.00 C ATOM 1059 O GLN A 67 0.393 12.649 5.125 1.00 0.00 O ATOM 1060 CB GLN A 67 -0.676 15.519 3.621 1.00 0.00 C ATOM 1061 CG GLN A 67 0.791 15.823 3.883 1.00 0.00 C ATOM 1062 CD GLN A 67 1.718 15.080 2.942 1.00 0.00 C ATOM 1063 OE1 GLN A 67 2.013 15.552 1.843 1.00 0.00 O ATOM 1064 NE2 GLN A 67 2.183 13.912 3.368 1.00 0.00 N ATOM 0 H GLN A 67 -3.013 14.726 3.716 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.582 13.471 2.973 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.929 15.835 2.609 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.288 16.110 4.302 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.960 16.895 3.782 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.035 15.558 4.912 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.912 13.559 4.286 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.811 13.367 2.777 1.00 0.00 H new ATOM 1073 N ASP A 68 -0.995 14.047 6.211 1.00 0.00 N ATOM 1074 CA ASP A 68 -0.553 13.632 7.537 1.00 0.00 C ATOM 1075 C ASP A 68 -0.799 12.141 7.750 1.00 0.00 C ATOM 1076 O ASP A 68 -0.084 11.486 8.507 1.00 0.00 O ATOM 1077 CB ASP A 68 -1.278 14.439 8.615 1.00 0.00 C ATOM 1078 CG ASP A 68 -0.852 15.894 8.633 1.00 0.00 C ATOM 1079 OD1 ASP A 68 -0.429 16.402 7.573 1.00 0.00 O ATOM 1080 OD2 ASP A 68 -0.941 16.525 9.707 1.00 0.00 O ATOM 0 H ASP A 68 -1.719 14.766 6.214 1.00 0.00 H new ATOM 0 HA ASP A 68 0.518 13.820 7.611 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.353 14.380 8.447 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.083 13.994 9.591 1.00 0.00 H new ATOM 1085 N ALA A 69 -1.815 11.612 7.077 1.00 0.00 N ATOM 1086 CA ALA A 69 -2.154 10.199 7.191 1.00 0.00 C ATOM 1087 C ALA A 69 -1.007 9.319 6.707 1.00 0.00 C ATOM 1088 O ALA A 69 -0.445 8.538 7.476 1.00 0.00 O ATOM 1089 CB ALA A 69 -3.423 9.896 6.407 1.00 0.00 C ATOM 0 H ALA A 69 -2.418 12.141 6.447 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.329 9.976 8.243 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.665 8.837 6.501 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.246 10.492 6.802 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.269 10.141 5.356 1.00 0.00 H new ATOM 1095 N ILE A 70 -0.666 9.448 5.429 1.00 0.00 N ATOM 1096 CA ILE A 70 0.414 8.664 4.844 1.00 0.00 C ATOM 1097 C ILE A 70 1.717 8.867 5.610 1.00 0.00 C ATOM 1098 O ILE A 70 2.554 7.966 5.681 1.00 0.00 O ATOM 1099 CB ILE A 70 0.638 9.029 3.365 1.00 0.00 C ATOM 1100 CG1 ILE A 70 1.904 8.353 2.836 1.00 0.00 C ATOM 1101 CG2 ILE A 70 0.730 10.539 3.201 1.00 0.00 C ATOM 1102 CD1 ILE A 70 1.893 6.848 2.988 1.00 0.00 C ATOM 0 H ILE A 70 -1.122 10.088 4.779 1.00 0.00 H new ATOM 0 HA ILE A 70 0.116 7.618 4.909 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.212 8.670 2.785 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.026 8.603 1.782 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.769 8.757 3.362 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.888 10.782 2.150 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.196 10.999 3.544 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.564 10.919 3.791 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.821 6.436 2.592 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.802 6.590 4.043 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.048 6.433 2.439 1.00 0.00 H new ATOM 1114 N ASP A 71 1.882 10.054 6.181 1.00 0.00 N ATOM 1115 CA ASP A 71 3.083 10.375 6.944 1.00 0.00 C ATOM 1116 C ASP A 71 3.049 9.708 8.316 1.00 0.00 C ATOM 1117 O ASP A 71 4.091 9.483 8.934 1.00 0.00 O ATOM 1118 CB ASP A 71 3.222 11.890 7.103 1.00 0.00 C ATOM 1119 CG ASP A 71 4.607 12.386 6.737 1.00 0.00 C ATOM 1120 OD1 ASP A 71 4.902 12.479 5.527 1.00 0.00 O ATOM 1121 OD2 ASP A 71 5.397 12.679 7.659 1.00 0.00 O ATOM 0 H ASP A 71 1.200 10.810 6.130 1.00 0.00 H new ATOM 0 HA ASP A 71 3.945 9.994 6.396 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.483 12.388 6.475 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.001 12.166 8.134 1.00 0.00 H new ATOM 1126 N TYR A 72 1.847 9.395 8.786 1.00 0.00 N ATOM 1127 CA TYR A 72 1.678 8.757 10.087 1.00 0.00 C ATOM 1128 C TYR A 72 2.019 7.272 10.013 1.00 0.00 C ATOM 1129 O TYR A 72 2.532 6.693 10.972 1.00 0.00 O ATOM 1130 CB TYR A 72 0.243 8.939 10.584 1.00 0.00 C ATOM 1131 CG TYR A 72 -0.422 7.646 11.000 1.00 0.00 C ATOM 1132 CD1 TYR A 72 -0.097 7.030 12.202 1.00 0.00 C ATOM 1133 CD2 TYR A 72 -1.376 7.041 10.190 1.00 0.00 C ATOM 1134 CE1 TYR A 72 -0.702 5.848 12.585 1.00 0.00 C ATOM 1135 CE2 TYR A 72 -1.986 5.860 10.566 1.00 0.00 C ATOM 1136 CZ TYR A 72 -1.646 5.267 11.764 1.00 0.00 C ATOM 1137 OH TYR A 72 -2.251 4.091 12.143 1.00 0.00 O ATOM 0 H TYR A 72 0.976 9.572 8.286 1.00 0.00 H new ATOM 0 HA TYR A 72 2.362 9.233 10.790 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.245 9.626 11.431 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -0.349 9.405 9.797 1.00 0.00 H new ATOM 0 HD1 TYR A 72 0.641 7.482 12.848 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.645 7.502 9.251 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -0.437 5.382 13.522 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -2.726 5.403 9.925 1.00 0.00 H new ATOM 0 HH TYR A 72 -2.892 3.816 11.454 1.00 0.00 H new ATOM 1147 N ILE A 73 1.730 6.661 8.869 1.00 0.00 N ATOM 1148 CA ILE A 73 2.007 5.244 8.669 1.00 0.00 C ATOM 1149 C ILE A 73 3.457 5.021 8.252 1.00 0.00 C ATOM 1150 O ILE A 73 4.032 3.965 8.514 1.00 0.00 O ATOM 1151 CB ILE A 73 1.078 4.634 7.602 1.00 0.00 C ATOM 1152 CG1 ILE A 73 1.430 5.180 6.216 1.00 0.00 C ATOM 1153 CG2 ILE A 73 -0.377 4.925 7.938 1.00 0.00 C ATOM 1154 CD1 ILE A 73 0.717 4.468 5.088 1.00 0.00 C ATOM 0 H ILE A 73 1.304 7.125 8.067 1.00 0.00 H new ATOM 0 HA ILE A 73 1.825 4.749 9.623 1.00 0.00 H new ATOM 0 HB ILE A 73 1.219 3.553 7.593 1.00 0.00 H new ATOM 0 HG12 ILE A 73 1.183 6.241 6.179 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.506 5.098 6.064 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.021 4.488 7.175 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.620 4.493 8.909 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.534 6.003 7.971 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.014 4.907 4.135 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.983 3.411 5.099 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.360 4.572 5.215 1.00 0.00 H new ATOM 1166 N GLU A 74 4.041 6.023 7.603 1.00 0.00 N ATOM 1167 CA GLU A 74 5.425 5.935 7.151 1.00 0.00 C ATOM 1168 C GLU A 74 6.391 6.176 8.307 1.00 0.00 C ATOM 1169 O GLU A 74 7.465 5.577 8.369 1.00 0.00 O ATOM 1170 CB GLU A 74 5.685 6.949 6.035 1.00 0.00 C ATOM 1171 CG GLU A 74 5.003 6.599 4.723 1.00 0.00 C ATOM 1172 CD GLU A 74 5.991 6.274 3.620 1.00 0.00 C ATOM 1173 OE1 GLU A 74 6.706 5.258 3.745 1.00 0.00 O ATOM 1174 OE2 GLU A 74 6.047 7.035 2.631 1.00 0.00 O ATOM 0 H GLU A 74 3.578 6.904 7.379 1.00 0.00 H new ATOM 0 HA GLU A 74 5.591 4.929 6.765 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.343 7.931 6.361 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.759 7.025 5.867 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.343 5.745 4.877 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.376 7.434 4.410 1.00 0.00 H new ATOM 1181 N LYS A 75 6.002 7.058 9.222 1.00 0.00 N ATOM 1182 CA LYS A 75 6.831 7.379 10.377 1.00 0.00 C ATOM 1183 C LYS A 75 6.734 6.287 11.438 1.00 0.00 C ATOM 1184 O LYS A 75 7.730 5.922 12.060 1.00 0.00 O ATOM 1185 CB LYS A 75 6.411 8.723 10.975 1.00 0.00 C ATOM 1186 CG LYS A 75 5.013 8.715 11.568 1.00 0.00 C ATOM 1187 CD LYS A 75 4.527 10.123 11.871 1.00 0.00 C ATOM 1188 CE LYS A 75 5.429 10.818 12.880 1.00 0.00 C ATOM 1189 NZ LYS A 75 4.657 11.358 14.034 1.00 0.00 N ATOM 0 H LYS A 75 5.117 7.563 9.185 1.00 0.00 H new ATOM 0 HA LYS A 75 7.866 7.445 10.042 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.124 9.005 11.750 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.464 9.488 10.200 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.325 8.233 10.873 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.008 8.123 12.483 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.494 10.704 10.949 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.509 10.082 12.258 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.179 10.115 13.242 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.965 11.631 12.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.307 11.824 14.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.958 12.048 13.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.166 10.579 14.518 1.00 0.00 H new ATOM 1203 N ASN A 76 5.526 5.768 11.637 1.00 0.00 N ATOM 1204 CA ASN A 76 5.299 4.717 12.622 1.00 0.00 C ATOM 1205 C ASN A 76 5.867 3.386 12.138 1.00 0.00 C ATOM 1206 O ASN A 76 6.874 2.905 12.656 1.00 0.00 O ATOM 1207 CB ASN A 76 3.803 4.571 12.907 1.00 0.00 C ATOM 1208 CG ASN A 76 3.325 5.523 13.987 1.00 0.00 C ATOM 1209 OD1 ASN A 76 3.069 5.115 15.121 1.00 0.00 O ATOM 1210 ND2 ASN A 76 3.202 6.799 13.640 1.00 0.00 N ATOM 0 H ASN A 76 4.690 6.058 11.129 1.00 0.00 H new ATOM 0 HA ASN A 76 5.812 4.999 13.542 1.00 0.00 H new ATOM 0 HB2 ASN A 76 3.242 4.754 11.991 1.00 0.00 H new ATOM 0 HB3 ASN A 76 3.592 3.546 13.211 1.00 0.00 H new ATOM 0 HD21 ASN A 76 2.884 7.485 14.324 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.425 7.093 12.689 1.00 0.00 H new ATOM 1217 N ASN A 77 5.215 2.798 11.141 1.00 0.00 N ATOM 1218 CA ASN A 77 5.655 1.523 10.587 1.00 0.00 C ATOM 1219 C ASN A 77 6.520 1.738 9.348 1.00 0.00 C ATOM 1220 O ASN A 77 6.873 2.868 9.012 1.00 0.00 O ATOM 1221 CB ASN A 77 4.448 0.652 10.235 1.00 0.00 C ATOM 1222 CG ASN A 77 3.557 1.294 9.188 1.00 0.00 C ATOM 1223 OD1 ASN A 77 2.554 1.928 9.515 1.00 0.00 O ATOM 1224 ND2 ASN A 77 3.921 1.131 7.922 1.00 0.00 N ATOM 0 H ASN A 77 4.380 3.184 10.700 1.00 0.00 H new ATOM 0 HA ASN A 77 6.253 1.014 11.343 1.00 0.00 H new ATOM 0 HB2 ASN A 77 4.795 -0.314 9.870 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.866 0.462 11.136 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.361 1.539 7.174 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.761 0.597 7.697 1.00 0.00 H new