USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 724 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 8 GLN : amide:sc= 0 X(o=0.27,f=-0.13) USER MOD Set 1.2: A 10 THR OG1 : rot 59:sc= 0.269 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -1.54 K(o=-1.5,f=-3.2!) USER MOD Single : A 16 THR OG1 : rot -160:sc= -0.0214 USER MOD Single : A 18 MET CE :methyl -147:sc= -0.0576 (180deg=-1.5) USER MOD Single : A 24 ASN : amide:sc= -0.402 X(o=-0.4,f=-0.69) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.147 X(o=-0.15,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.307 X(o=-0.31,f=0) USER MOD Single : A 34 HIS : no HD1:sc= -3.34 K(o=-3.3,f=-4.5!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 133:sc= 0.0651 USER MOD Single : A 37 ASN : amide:sc= -0.123 K(o=-0.12,f=-2.5!) USER MOD Single : A 39 TYR OH : rot 30:sc= -0.313 USER MOD Single : A 41 LYS NZ :NH3+ 137:sc= -0.273 (180deg=-1.3!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 125:sc= -0.577 USER MOD Single : A 51 HIS : no HD1:sc= -5.86 K(o=-5.9,f=-3) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0448) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.227) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 36.457 8.352 -0.563 1.00 32.03 N ATOM 2 CA MET A 1 37.614 8.709 0.307 1.00 32.46 C ATOM 3 C MET A 1 37.355 8.210 1.730 1.00 31.26 C ATOM 4 O MET A 1 38.162 7.505 2.305 1.00 31.39 O ATOM 5 CB MET A 1 37.790 10.228 0.325 1.00 33.12 C ATOM 6 CG MET A 1 38.766 10.642 -0.778 1.00 34.71 C ATOM 7 SD MET A 1 39.410 12.297 -0.426 1.00 35.66 S ATOM 8 CE MET A 1 38.224 13.221 -1.435 1.00 36.26 C ATOM 0 H1 MET A 1 36.633 8.691 -1.530 1.00 32.03 H new ATOM 0 H2 MET A 1 36.337 7.319 -0.574 1.00 32.03 H new ATOM 0 H3 MET A 1 35.593 8.797 -0.192 1.00 32.03 H new ATOM 0 HA MET A 1 38.519 8.243 -0.083 1.00 32.46 H new ATOM 0 HB2 MET A 1 36.828 10.718 0.176 1.00 33.12 H new ATOM 0 HB3 MET A 1 38.165 10.550 1.297 1.00 33.12 H new ATOM 0 HG2 MET A 1 39.586 9.927 -0.840 1.00 34.71 H new ATOM 0 HG3 MET A 1 38.263 10.634 -1.745 1.00 34.71 H new ATOM 0 HE1 MET A 1 38.439 14.287 -1.364 1.00 36.26 H new ATOM 0 HE2 MET A 1 38.305 12.903 -2.474 1.00 36.26 H new ATOM 0 HE3 MET A 1 37.213 13.030 -1.075 1.00 36.26 H new ATOM 20 N SER A 2 36.232 8.572 2.298 1.00 30.23 N ATOM 21 CA SER A 2 35.911 8.124 3.686 1.00 29.15 C ATOM 22 C SER A 2 34.880 6.996 3.630 1.00 28.11 C ATOM 23 O SER A 2 34.504 6.539 2.567 1.00 28.26 O ATOM 24 CB SER A 2 35.340 9.298 4.480 1.00 28.87 C ATOM 25 OG SER A 2 36.406 10.035 5.064 1.00 29.72 O ATOM 0 H SER A 2 35.523 9.159 1.859 1.00 30.23 H new ATOM 0 HA SER A 2 36.818 7.764 4.172 1.00 29.15 H new ATOM 0 HB2 SER A 2 34.753 9.943 3.826 1.00 28.87 H new ATOM 0 HB3 SER A 2 34.667 8.934 5.256 1.00 28.87 H new ATOM 0 HG SER A 2 36.042 10.790 5.572 1.00 29.72 H new ATOM 31 N LYS A 3 34.421 6.545 4.770 1.00 27.20 N ATOM 32 CA LYS A 3 33.413 5.446 4.796 1.00 26.30 C ATOM 33 C LYS A 3 32.285 5.809 5.764 1.00 24.87 C ATOM 34 O LYS A 3 31.170 6.064 5.357 1.00 24.54 O ATOM 35 CB LYS A 3 34.084 4.149 5.258 1.00 26.65 C ATOM 36 CG LYS A 3 34.563 3.361 4.038 1.00 27.71 C ATOM 37 CD LYS A 3 34.539 1.865 4.356 1.00 27.89 C ATOM 38 CE LYS A 3 35.847 1.467 5.042 1.00 28.88 C ATOM 39 NZ LYS A 3 36.850 1.079 4.011 1.00 30.17 N ATOM 0 H LYS A 3 34.703 6.893 5.686 1.00 27.20 H new ATOM 0 HA LYS A 3 33.002 5.307 3.796 1.00 26.30 H new ATOM 0 HB2 LYS A 3 34.926 4.375 5.912 1.00 26.65 H new ATOM 0 HB3 LYS A 3 33.382 3.550 5.838 1.00 26.65 H new ATOM 0 HG2 LYS A 3 33.923 3.572 3.181 1.00 27.71 H new ATOM 0 HG3 LYS A 3 35.572 3.670 3.766 1.00 27.71 H new ATOM 0 HD2 LYS A 3 33.692 1.634 5.002 1.00 27.89 H new ATOM 0 HD3 LYS A 3 34.407 1.290 3.440 1.00 27.89 H new ATOM 0 HE2 LYS A 3 36.225 2.298 5.638 1.00 28.88 H new ATOM 0 HE3 LYS A 3 35.673 0.637 5.726 1.00 28.88 H new ATOM 0 HZ1 LYS A 3 37.740 0.808 4.477 1.00 30.17 H new ATOM 0 HZ2 LYS A 3 36.488 0.274 3.461 1.00 30.17 H new ATOM 0 HZ3 LYS A 3 37.023 1.883 3.375 1.00 30.17 H new ATOM 53 N ARG A 4 32.574 5.834 7.041 1.00 24.20 N ATOM 54 CA ARG A 4 31.532 6.180 8.056 1.00 22.95 C ATOM 55 C ARG A 4 30.375 5.167 7.984 1.00 21.65 C ATOM 56 O ARG A 4 30.393 4.161 8.669 1.00 21.26 O ATOM 57 CB ARG A 4 31.021 7.605 7.805 1.00 23.16 C ATOM 58 CG ARG A 4 31.919 8.605 8.536 1.00 24.09 C ATOM 59 CD ARG A 4 31.634 8.546 10.038 1.00 23.75 C ATOM 60 NE ARG A 4 31.861 9.896 10.641 1.00 24.35 N ATOM 61 CZ ARG A 4 31.422 10.193 11.849 1.00 24.21 C ATOM 62 NH1 ARG A 4 30.764 9.319 12.576 1.00 23.51 N ATOM 63 NH2 ARG A 4 31.647 11.384 12.333 1.00 24.95 N ATOM 0 H ARG A 4 33.495 5.628 7.427 1.00 24.20 H new ATOM 0 HA ARG A 4 31.967 6.136 9.054 1.00 22.95 H new ATOM 0 HB2 ARG A 4 31.016 7.818 6.736 1.00 23.16 H new ATOM 0 HB3 ARG A 4 29.993 7.701 8.154 1.00 23.16 H new ATOM 0 HG2 ARG A 4 32.967 8.375 8.345 1.00 24.09 H new ATOM 0 HG3 ARG A 4 31.740 9.613 8.161 1.00 24.09 H new ATOM 0 HD2 ARG A 4 30.607 8.226 10.212 1.00 23.75 H new ATOM 0 HD3 ARG A 4 32.282 7.810 10.513 1.00 23.75 H new ATOM 0 HE ARG A 4 32.366 10.602 10.106 1.00 24.35 H new ATOM 0 HH11 ARG A 4 30.582 8.385 12.209 1.00 23.51 H new ATOM 0 HH12 ARG A 4 30.436 9.574 13.507 1.00 23.51 H new ATOM 0 HH21 ARG A 4 32.157 12.072 11.779 1.00 24.95 H new ATOM 0 HH22 ARG A 4 31.313 11.627 13.266 1.00 24.95 H new ATOM 77 N LYS A 5 29.371 5.413 7.168 1.00 21.17 N ATOM 78 CA LYS A 5 28.225 4.457 7.065 1.00 20.06 C ATOM 79 C LYS A 5 27.533 4.340 8.427 1.00 18.64 C ATOM 80 O LYS A 5 27.231 3.256 8.892 1.00 18.25 O ATOM 81 CB LYS A 5 28.740 3.082 6.626 1.00 20.38 C ATOM 82 CG LYS A 5 27.578 2.251 6.080 1.00 20.17 C ATOM 83 CD LYS A 5 27.305 2.648 4.627 1.00 21.06 C ATOM 84 CE LYS A 5 26.618 1.489 3.901 1.00 21.29 C ATOM 85 NZ LYS A 5 26.106 1.962 2.584 1.00 22.13 N ATOM 0 H LYS A 5 29.300 6.236 6.570 1.00 21.17 H new ATOM 0 HA LYS A 5 27.511 4.824 6.328 1.00 20.06 H new ATOM 0 HB2 LYS A 5 29.509 3.197 5.862 1.00 20.38 H new ATOM 0 HB3 LYS A 5 29.203 2.569 7.469 1.00 20.38 H new ATOM 0 HG2 LYS A 5 27.817 1.189 6.139 1.00 20.17 H new ATOM 0 HG3 LYS A 5 26.686 2.411 6.686 1.00 20.17 H new ATOM 0 HD2 LYS A 5 26.674 3.536 4.594 1.00 21.06 H new ATOM 0 HD3 LYS A 5 28.240 2.902 4.127 1.00 21.06 H new ATOM 0 HE2 LYS A 5 27.321 0.668 3.757 1.00 21.29 H new ATOM 0 HE3 LYS A 5 25.797 1.103 4.505 1.00 21.29 H new ATOM 0 HZ1 LYS A 5 25.639 1.175 2.090 1.00 22.13 H new ATOM 0 HZ2 LYS A 5 25.422 2.731 2.733 1.00 22.13 H new ATOM 0 HZ3 LYS A 5 26.899 2.310 2.008 1.00 22.13 H new ATOM 99 N ALA A 6 27.277 5.453 9.067 1.00 18.10 N ATOM 100 CA ALA A 6 26.603 5.423 10.397 1.00 16.92 C ATOM 101 C ALA A 6 25.167 4.892 10.234 1.00 15.56 C ATOM 102 O ALA A 6 24.618 4.959 9.152 1.00 15.52 O ATOM 103 CB ALA A 6 26.561 6.838 10.978 1.00 17.03 C ATOM 0 H ALA A 6 27.508 6.385 8.722 1.00 18.10 H new ATOM 0 HA ALA A 6 27.157 4.769 11.071 1.00 16.92 H new ATOM 0 HB1 ALA A 6 26.069 6.818 11.950 1.00 17.03 H new ATOM 0 HB2 ALA A 6 27.577 7.214 11.094 1.00 17.03 H new ATOM 0 HB3 ALA A 6 26.007 7.492 10.304 1.00 17.03 H new ATOM 109 N PRO A 7 24.588 4.375 11.307 1.00 14.71 N ATOM 110 CA PRO A 7 23.216 3.838 11.256 1.00 13.56 C ATOM 111 C PRO A 7 22.231 4.943 10.860 1.00 12.96 C ATOM 112 O PRO A 7 22.258 6.032 11.402 1.00 13.09 O ATOM 113 CB PRO A 7 22.930 3.340 12.683 1.00 13.17 C ATOM 114 CG PRO A 7 24.189 3.619 13.542 1.00 14.21 C ATOM 115 CD PRO A 7 25.236 4.282 12.636 1.00 15.13 C ATOM 0 HA PRO A 7 23.109 3.041 10.520 1.00 13.56 H new ATOM 0 HB2 PRO A 7 22.062 3.851 13.099 1.00 13.17 H new ATOM 0 HB3 PRO A 7 22.700 2.275 12.677 1.00 13.17 H new ATOM 0 HG2 PRO A 7 23.943 4.270 14.381 1.00 14.21 H new ATOM 0 HG3 PRO A 7 24.579 2.692 13.961 1.00 14.21 H new ATOM 0 HD2 PRO A 7 25.514 5.268 13.010 1.00 15.13 H new ATOM 0 HD3 PRO A 7 26.150 3.689 12.589 1.00 15.13 H new ATOM 123 N GLN A 8 21.365 4.667 9.917 1.00 12.66 N ATOM 124 CA GLN A 8 20.376 5.696 9.479 1.00 12.46 C ATOM 125 C GLN A 8 19.101 5.580 10.319 1.00 11.31 C ATOM 126 O GLN A 8 18.399 6.550 10.523 1.00 11.68 O ATOM 127 CB GLN A 8 20.036 5.488 7.999 1.00 13.12 C ATOM 128 CG GLN A 8 19.589 4.042 7.769 1.00 12.73 C ATOM 129 CD GLN A 8 18.854 3.942 6.432 1.00 13.43 C ATOM 130 OE1 GLN A 8 19.423 4.203 5.391 1.00 14.43 O ATOM 131 NE2 GLN A 8 17.602 3.572 6.416 1.00 13.32 N ATOM 0 H GLN A 8 21.301 3.772 9.432 1.00 12.66 H new ATOM 0 HA GLN A 8 20.808 6.688 9.615 1.00 12.46 H new ATOM 0 HB2 GLN A 8 19.245 6.175 7.698 1.00 13.12 H new ATOM 0 HB3 GLN A 8 20.906 5.712 7.381 1.00 13.12 H new ATOM 0 HG2 GLN A 8 20.454 3.378 7.771 1.00 12.73 H new ATOM 0 HG3 GLN A 8 18.936 3.718 8.580 1.00 12.73 H new ATOM 0 HE21 GLN A 8 17.124 3.353 7.290 1.00 13.32 H new ATOM 0 HE22 GLN A 8 17.102 3.502 5.530 1.00 13.32 H new ATOM 140 N GLU A 9 18.798 4.400 10.803 1.00 10.28 N ATOM 141 CA GLU A 9 17.567 4.204 11.631 1.00 9.37 C ATOM 142 C GLU A 9 16.320 4.595 10.814 1.00 8.93 C ATOM 143 O GLU A 9 15.739 3.767 10.141 1.00 8.79 O ATOM 144 CB GLU A 9 17.666 5.049 12.907 1.00 9.88 C ATOM 145 CG GLU A 9 18.769 4.489 13.808 1.00 10.38 C ATOM 146 CD GLU A 9 18.195 3.373 14.683 1.00 10.26 C ATOM 147 OE1 GLU A 9 17.360 3.674 15.521 1.00 10.45 O ATOM 148 OE2 GLU A 9 18.600 2.236 14.501 1.00 10.44 O ATOM 0 H GLU A 9 19.355 3.558 10.659 1.00 10.28 H new ATOM 0 HA GLU A 9 17.479 3.155 11.913 1.00 9.37 H new ATOM 0 HB2 GLU A 9 17.882 6.087 12.652 1.00 9.88 H new ATOM 0 HB3 GLU A 9 16.712 5.042 13.435 1.00 9.88 H new ATOM 0 HG2 GLU A 9 19.589 4.105 13.201 1.00 10.38 H new ATOM 0 HG3 GLU A 9 19.180 5.281 14.434 1.00 10.38 H new ATOM 155 N THR A 10 15.903 5.846 10.860 1.00 9.18 N ATOM 156 CA THR A 10 14.695 6.292 10.085 1.00 9.20 C ATOM 157 C THR A 10 13.509 5.349 10.336 1.00 7.61 C ATOM 158 O THR A 10 13.579 4.453 11.156 1.00 6.72 O ATOM 159 CB THR A 10 15.013 6.335 8.581 1.00 10.24 C ATOM 160 OG1 THR A 10 16.006 5.373 8.259 1.00 10.22 O ATOM 161 CG2 THR A 10 15.520 7.730 8.209 1.00 11.80 C ATOM 0 H THR A 10 16.353 6.581 11.406 1.00 9.18 H new ATOM 0 HA THR A 10 14.425 7.292 10.424 1.00 9.20 H new ATOM 0 HB THR A 10 14.105 6.108 8.021 1.00 10.24 H new ATOM 0 HG1 THR A 10 15.688 4.479 8.505 1.00 10.22 H new ATOM 0 HG21 THR A 10 15.746 7.763 7.143 1.00 11.80 H new ATOM 0 HG22 THR A 10 14.753 8.469 8.440 1.00 11.80 H new ATOM 0 HG23 THR A 10 16.422 7.953 8.778 1.00 11.80 H new ATOM 169 N LEU A 11 12.421 5.557 9.637 1.00 7.72 N ATOM 170 CA LEU A 11 11.219 4.689 9.826 1.00 6.61 C ATOM 171 C LEU A 11 11.570 3.234 9.491 1.00 5.09 C ATOM 172 O LEU A 11 12.721 2.899 9.283 1.00 5.81 O ATOM 173 CB LEU A 11 10.095 5.181 8.909 1.00 7.89 C ATOM 174 CG LEU A 11 9.533 6.494 9.463 1.00 9.41 C ATOM 175 CD1 LEU A 11 10.287 7.674 8.845 1.00 10.90 C ATOM 176 CD2 LEU A 11 8.040 6.602 9.123 1.00 10.26 C ATOM 0 H LEU A 11 12.314 6.294 8.940 1.00 7.72 H new ATOM 0 HA LEU A 11 10.890 4.740 10.864 1.00 6.61 H new ATOM 0 HB2 LEU A 11 10.473 5.331 7.898 1.00 7.89 H new ATOM 0 HB3 LEU A 11 9.306 4.431 8.846 1.00 7.89 H new ATOM 0 HG LEU A 11 9.657 6.511 10.546 1.00 9.41 H new ATOM 0 HD11 LEU A 11 9.887 8.608 9.239 1.00 10.90 H new ATOM 0 HD12 LEU A 11 11.346 7.599 9.093 1.00 10.90 H new ATOM 0 HD13 LEU A 11 10.166 7.656 7.762 1.00 10.90 H new ATOM 0 HD21 LEU A 11 7.643 7.537 9.519 1.00 10.26 H new ATOM 0 HD22 LEU A 11 7.911 6.582 8.041 1.00 10.26 H new ATOM 0 HD23 LEU A 11 7.504 5.764 9.568 1.00 10.26 H new ATOM 188 N ASN A 12 10.587 2.368 9.452 1.00 3.65 N ATOM 189 CA ASN A 12 10.855 0.931 9.147 1.00 2.82 C ATOM 190 C ASN A 12 10.789 0.693 7.637 1.00 2.39 C ATOM 191 O ASN A 12 11.743 0.233 7.036 1.00 2.60 O ATOM 192 CB ASN A 12 9.807 0.059 9.842 1.00 3.10 C ATOM 193 CG ASN A 12 10.086 0.023 11.345 1.00 3.77 C ATOM 194 OD1 ASN A 12 11.211 0.195 11.770 1.00 4.30 O ATOM 195 ND2 ASN A 12 9.102 -0.196 12.174 1.00 4.58 N ATOM 0 H ASN A 12 9.607 2.597 9.619 1.00 3.65 H new ATOM 0 HA ASN A 12 11.850 0.671 9.507 1.00 2.82 H new ATOM 0 HB2 ASN A 12 8.809 0.455 9.656 1.00 3.10 H new ATOM 0 HB3 ASN A 12 9.830 -0.951 9.433 1.00 3.10 H new ATOM 0 HD21 ASN A 12 9.278 -0.223 13.178 1.00 4.58 H new ATOM 0 HD22 ASN A 12 8.157 -0.340 11.817 1.00 4.58 H new ATOM 202 N GLY A 13 9.675 1.002 7.018 1.00 2.17 N ATOM 203 CA GLY A 13 9.558 0.790 5.542 1.00 2.33 C ATOM 204 C GLY A 13 9.085 -0.639 5.253 1.00 1.79 C ATOM 205 O GLY A 13 8.753 -1.389 6.151 1.00 1.89 O ATOM 0 H GLY A 13 8.846 1.390 7.469 1.00 2.17 H new ATOM 0 HA2 GLY A 13 8.855 1.507 5.118 1.00 2.33 H new ATOM 0 HA3 GLY A 13 10.521 0.967 5.064 1.00 2.33 H new ATOM 209 N GLY A 14 9.041 -1.012 3.997 1.00 2.06 N ATOM 210 CA GLY A 14 8.577 -2.384 3.621 1.00 1.70 C ATOM 211 C GLY A 14 7.147 -2.317 3.053 1.00 1.53 C ATOM 212 O GLY A 14 6.519 -3.329 2.809 1.00 1.52 O ATOM 0 H GLY A 14 9.309 -0.420 3.211 1.00 2.06 H new ATOM 0 HA2 GLY A 14 9.251 -2.815 2.881 1.00 1.70 H new ATOM 0 HA3 GLY A 14 8.601 -3.037 4.493 1.00 1.70 H new ATOM 216 N ILE A 15 6.638 -1.129 2.838 1.00 1.49 N ATOM 217 CA ILE A 15 5.265 -0.962 2.285 1.00 1.37 C ATOM 218 C ILE A 15 5.360 -0.836 0.774 1.00 1.21 C ATOM 219 O ILE A 15 4.643 -1.485 0.036 1.00 1.13 O ATOM 220 CB ILE A 15 4.645 0.306 2.871 1.00 1.28 C ATOM 221 CG1 ILE A 15 4.662 0.226 4.395 1.00 1.54 C ATOM 222 CG2 ILE A 15 3.203 0.428 2.424 1.00 1.25 C ATOM 223 CD1 ILE A 15 6.019 0.668 4.912 1.00 3.09 C ATOM 0 H ILE A 15 7.128 -0.254 3.027 1.00 1.49 H new ATOM 0 HA ILE A 15 4.645 -1.820 2.542 1.00 1.37 H new ATOM 0 HB ILE A 15 5.219 1.166 2.528 1.00 1.28 H new ATOM 0 HG12 ILE A 15 3.879 0.859 4.811 1.00 1.54 H new ATOM 0 HG13 ILE A 15 4.453 -0.794 4.718 1.00 1.54 H new ATOM 0 HG21 ILE A 15 2.767 1.334 2.845 1.00 1.25 H new ATOM 0 HG22 ILE A 15 3.162 0.478 1.336 1.00 1.25 H new ATOM 0 HG23 ILE A 15 2.641 -0.440 2.769 1.00 1.25 H new ATOM 0 HD11 ILE A 15 6.030 0.611 6.000 1.00 3.09 H new ATOM 0 HD12 ILE A 15 6.793 0.016 4.506 1.00 3.09 H new ATOM 0 HD13 ILE A 15 6.210 1.695 4.601 1.00 3.09 H new ATOM 235 N THR A 16 6.245 0.008 0.316 1.00 1.28 N ATOM 236 CA THR A 16 6.406 0.202 -1.146 1.00 1.20 C ATOM 237 C THR A 16 7.084 -1.027 -1.768 1.00 1.24 C ATOM 238 O THR A 16 7.026 -1.232 -2.964 1.00 1.23 O ATOM 239 CB THR A 16 7.258 1.445 -1.413 1.00 1.20 C ATOM 240 OG1 THR A 16 7.548 1.528 -2.801 1.00 1.16 O ATOM 241 CG2 THR A 16 8.564 1.356 -0.622 1.00 1.35 C ATOM 0 H THR A 16 6.864 0.572 0.898 1.00 1.28 H new ATOM 0 HA THR A 16 5.422 0.334 -1.595 1.00 1.20 H new ATOM 0 HB THR A 16 6.709 2.334 -1.101 1.00 1.20 H new ATOM 0 HG1 THR A 16 8.326 2.108 -2.939 1.00 1.16 H new ATOM 0 HG21 THR A 16 9.167 2.243 -0.815 1.00 1.35 H new ATOM 0 HG22 THR A 16 8.341 1.294 0.443 1.00 1.35 H new ATOM 0 HG23 THR A 16 9.116 0.468 -0.930 1.00 1.35 H new ATOM 249 N ASP A 17 7.732 -1.844 -0.969 1.00 1.31 N ATOM 250 CA ASP A 17 8.411 -3.053 -1.520 1.00 1.37 C ATOM 251 C ASP A 17 7.377 -4.151 -1.776 1.00 1.36 C ATOM 252 O ASP A 17 7.459 -4.876 -2.750 1.00 1.46 O ATOM 253 CB ASP A 17 9.449 -3.554 -0.512 1.00 1.48 C ATOM 254 CG ASP A 17 10.478 -2.455 -0.247 1.00 1.35 C ATOM 255 OD1 ASP A 17 10.169 -1.551 0.512 1.00 2.27 O ATOM 256 OD2 ASP A 17 11.558 -2.534 -0.808 1.00 2.32 O ATOM 0 H ASP A 17 7.818 -1.722 0.040 1.00 1.31 H new ATOM 0 HA ASP A 17 8.905 -2.797 -2.458 1.00 1.37 H new ATOM 0 HB2 ASP A 17 8.959 -3.839 0.419 1.00 1.48 H new ATOM 0 HB3 ASP A 17 9.945 -4.445 -0.897 1.00 1.48 H new ATOM 261 N MET A 18 6.408 -4.282 -0.905 1.00 1.33 N ATOM 262 CA MET A 18 5.366 -5.338 -1.086 1.00 1.38 C ATOM 263 C MET A 18 4.195 -4.803 -1.922 1.00 1.26 C ATOM 264 O MET A 18 3.392 -5.568 -2.424 1.00 1.26 O ATOM 265 CB MET A 18 4.845 -5.779 0.284 1.00 1.48 C ATOM 266 CG MET A 18 5.981 -6.430 1.082 1.00 1.59 C ATOM 267 SD MET A 18 5.334 -7.809 2.064 1.00 2.07 S ATOM 268 CE MET A 18 4.059 -6.882 2.955 1.00 2.91 C ATOM 0 H MET A 18 6.294 -3.701 -0.074 1.00 1.33 H new ATOM 0 HA MET A 18 5.814 -6.184 -1.606 1.00 1.38 H new ATOM 0 HB2 MET A 18 4.451 -4.921 0.828 1.00 1.48 H new ATOM 0 HB3 MET A 18 4.023 -6.484 0.162 1.00 1.48 H new ATOM 0 HG2 MET A 18 6.755 -6.787 0.403 1.00 1.59 H new ATOM 0 HG3 MET A 18 6.446 -5.693 1.737 1.00 1.59 H new ATOM 0 HE1 MET A 18 3.939 -7.298 3.955 1.00 2.91 H new ATOM 0 HE2 MET A 18 4.355 -5.836 3.030 1.00 2.91 H new ATOM 0 HE3 MET A 18 3.114 -6.954 2.417 1.00 2.91 H new ATOM 278 N LEU A 19 4.091 -3.505 -2.089 1.00 1.18 N ATOM 279 CA LEU A 19 2.973 -2.942 -2.899 1.00 1.08 C ATOM 280 C LEU A 19 3.428 -2.868 -4.352 1.00 1.07 C ATOM 281 O LEU A 19 2.689 -3.185 -5.265 1.00 1.17 O ATOM 282 CB LEU A 19 2.622 -1.541 -2.391 1.00 0.90 C ATOM 283 CG LEU A 19 1.408 -1.622 -1.465 1.00 0.80 C ATOM 284 CD1 LEU A 19 1.821 -2.244 -0.131 1.00 2.46 C ATOM 285 CD2 LEU A 19 0.864 -0.214 -1.221 1.00 1.61 C ATOM 0 H LEU A 19 4.733 -2.815 -1.698 1.00 1.18 H new ATOM 0 HA LEU A 19 2.089 -3.574 -2.815 1.00 1.08 H new ATOM 0 HB2 LEU A 19 3.471 -1.113 -1.858 1.00 0.90 H new ATOM 0 HB3 LEU A 19 2.408 -0.881 -3.232 1.00 0.90 H new ATOM 0 HG LEU A 19 0.638 -2.238 -1.929 1.00 0.80 H new ATOM 0 HD11 LEU A 19 0.954 -2.301 0.528 1.00 2.46 H new ATOM 0 HD12 LEU A 19 2.213 -3.247 -0.303 1.00 2.46 H new ATOM 0 HD13 LEU A 19 2.591 -1.629 0.335 1.00 2.46 H new ATOM 0 HD21 LEU A 19 -0.002 -0.268 -0.561 1.00 1.61 H new ATOM 0 HD22 LEU A 19 1.636 0.399 -0.757 1.00 1.61 H new ATOM 0 HD23 LEU A 19 0.569 0.232 -2.171 1.00 1.61 H new ATOM 297 N VAL A 20 4.653 -2.472 -4.561 1.00 1.03 N ATOM 298 CA VAL A 20 5.195 -2.392 -5.942 1.00 1.10 C ATOM 299 C VAL A 20 5.423 -3.817 -6.452 1.00 1.33 C ATOM 300 O VAL A 20 5.296 -4.087 -7.629 1.00 1.42 O ATOM 301 CB VAL A 20 6.516 -1.621 -5.924 1.00 1.05 C ATOM 302 CG1 VAL A 20 7.083 -1.526 -7.338 1.00 1.24 C ATOM 303 CG2 VAL A 20 6.272 -0.210 -5.382 1.00 0.80 C ATOM 0 H VAL A 20 5.306 -2.199 -3.826 1.00 1.03 H new ATOM 0 HA VAL A 20 4.496 -1.873 -6.598 1.00 1.10 H new ATOM 0 HB VAL A 20 7.228 -2.145 -5.286 1.00 1.05 H new ATOM 0 HG11 VAL A 20 8.024 -0.976 -7.317 1.00 1.24 H new ATOM 0 HG12 VAL A 20 7.258 -2.529 -7.728 1.00 1.24 H new ATOM 0 HG13 VAL A 20 6.373 -1.006 -7.981 1.00 1.24 H new ATOM 0 HG21 VAL A 20 7.212 0.342 -5.368 1.00 0.80 H new ATOM 0 HG22 VAL A 20 5.557 0.307 -6.022 1.00 0.80 H new ATOM 0 HG23 VAL A 20 5.873 -0.273 -4.370 1.00 0.80 H new ATOM 313 N GLU A 21 5.744 -4.731 -5.566 1.00 1.48 N ATOM 314 CA GLU A 21 5.957 -6.146 -5.988 1.00 1.69 C ATOM 315 C GLU A 21 4.606 -6.723 -6.409 1.00 1.57 C ATOM 316 O GLU A 21 4.497 -7.465 -7.373 1.00 1.58 O ATOM 317 CB GLU A 21 6.521 -6.953 -4.817 1.00 1.89 C ATOM 318 CG GLU A 21 7.008 -8.312 -5.323 1.00 2.32 C ATOM 319 CD GLU A 21 8.423 -8.170 -5.884 1.00 3.73 C ATOM 320 OE1 GLU A 21 9.359 -8.258 -5.106 1.00 3.95 O ATOM 321 OE2 GLU A 21 8.548 -7.978 -7.082 1.00 5.30 O ATOM 0 H GLU A 21 5.867 -4.554 -4.569 1.00 1.48 H new ATOM 0 HA GLU A 21 6.663 -6.193 -6.817 1.00 1.69 H new ATOM 0 HB2 GLU A 21 7.343 -6.411 -4.350 1.00 1.89 H new ATOM 0 HB3 GLU A 21 5.755 -7.090 -4.053 1.00 1.89 H new ATOM 0 HG2 GLU A 21 6.999 -9.039 -4.511 1.00 2.32 H new ATOM 0 HG3 GLU A 21 6.335 -8.687 -6.094 1.00 2.32 H new ATOM 328 N LEU A 22 3.565 -6.362 -5.696 1.00 1.50 N ATOM 329 CA LEU A 22 2.196 -6.853 -6.038 1.00 1.40 C ATOM 330 C LEU A 22 1.891 -6.501 -7.498 1.00 1.34 C ATOM 331 O LEU A 22 1.418 -7.319 -8.264 1.00 1.32 O ATOM 332 CB LEU A 22 1.169 -6.156 -5.132 1.00 1.55 C ATOM 333 CG LEU A 22 -0.009 -7.089 -4.794 1.00 1.15 C ATOM 334 CD1 LEU A 22 -0.507 -7.835 -6.038 1.00 2.59 C ATOM 335 CD2 LEU A 22 0.424 -8.099 -3.737 1.00 2.26 C ATOM 0 H LEU A 22 3.608 -5.743 -4.886 1.00 1.50 H new ATOM 0 HA LEU A 22 2.144 -7.932 -5.895 1.00 1.40 H new ATOM 0 HB2 LEU A 22 1.654 -5.833 -4.211 1.00 1.55 H new ATOM 0 HB3 LEU A 22 0.795 -5.260 -5.627 1.00 1.55 H new ATOM 0 HG LEU A 22 -0.826 -6.476 -4.413 1.00 1.15 H new ATOM 0 HD11 LEU A 22 -1.338 -8.485 -5.764 1.00 2.59 H new ATOM 0 HD12 LEU A 22 -0.840 -7.115 -6.785 1.00 2.59 H new ATOM 0 HD13 LEU A 22 0.303 -8.437 -6.450 1.00 2.59 H new ATOM 0 HD21 LEU A 22 -0.411 -8.758 -3.500 1.00 2.26 H new ATOM 0 HD22 LEU A 22 1.256 -8.691 -4.119 1.00 2.26 H new ATOM 0 HD23 LEU A 22 0.737 -7.571 -2.836 1.00 2.26 H new ATOM 347 N ALA A 23 2.182 -5.285 -7.878 1.00 1.36 N ATOM 348 CA ALA A 23 1.941 -4.846 -9.280 1.00 1.38 C ATOM 349 C ALA A 23 2.969 -5.514 -10.199 1.00 1.46 C ATOM 350 O ALA A 23 2.728 -5.709 -11.375 1.00 1.51 O ATOM 351 CB ALA A 23 2.096 -3.327 -9.362 1.00 1.46 C ATOM 0 H ALA A 23 2.581 -4.571 -7.268 1.00 1.36 H new ATOM 0 HA ALA A 23 0.935 -5.129 -9.590 1.00 1.38 H new ATOM 0 HB1 ALA A 23 1.921 -2.998 -10.386 1.00 1.46 H new ATOM 0 HB2 ALA A 23 1.373 -2.851 -8.699 1.00 1.46 H new ATOM 0 HB3 ALA A 23 3.105 -3.047 -9.059 1.00 1.46 H new ATOM 357 N ASN A 24 4.113 -5.870 -9.664 1.00 1.52 N ATOM 358 CA ASN A 24 5.160 -6.531 -10.488 1.00 1.65 C ATOM 359 C ASN A 24 4.885 -8.039 -10.589 1.00 1.51 C ATOM 360 O ASN A 24 5.677 -8.769 -11.150 1.00 1.49 O ATOM 361 CB ASN A 24 6.530 -6.307 -9.845 1.00 1.92 C ATOM 362 CG ASN A 24 7.171 -5.048 -10.431 1.00 2.71 C ATOM 363 OD1 ASN A 24 7.164 -4.851 -11.629 1.00 3.31 O ATOM 364 ND2 ASN A 24 7.728 -4.181 -9.630 1.00 3.60 N ATOM 0 H ASN A 24 4.362 -5.728 -8.685 1.00 1.52 H new ATOM 0 HA ASN A 24 5.146 -6.100 -11.489 1.00 1.65 H new ATOM 0 HB2 ASN A 24 6.424 -6.205 -8.765 1.00 1.92 H new ATOM 0 HB3 ASN A 24 7.172 -7.170 -10.022 1.00 1.92 H new ATOM 0 HD21 ASN A 24 8.158 -3.338 -10.010 1.00 3.60 H new ATOM 0 HD22 ASN A 24 7.734 -4.347 -8.624 1.00 3.60 H new ATOM 371 N PHE A 25 3.770 -8.515 -10.052 1.00 1.48 N ATOM 372 CA PHE A 25 3.431 -9.981 -10.121 1.00 1.43 C ATOM 373 C PHE A 25 3.697 -10.522 -11.536 1.00 1.51 C ATOM 374 O PHE A 25 4.234 -11.599 -11.711 1.00 1.70 O ATOM 375 CB PHE A 25 1.945 -10.166 -9.772 1.00 1.35 C ATOM 376 CG PHE A 25 1.812 -10.828 -8.419 1.00 1.42 C ATOM 377 CD1 PHE A 25 2.253 -10.165 -7.268 1.00 2.17 C ATOM 378 CD2 PHE A 25 1.246 -12.104 -8.319 1.00 2.36 C ATOM 379 CE1 PHE A 25 2.127 -10.779 -6.015 1.00 2.29 C ATOM 380 CE2 PHE A 25 1.122 -12.718 -7.067 1.00 2.46 C ATOM 381 CZ PHE A 25 1.562 -12.055 -5.915 1.00 1.74 C ATOM 0 H PHE A 25 3.079 -7.943 -9.567 1.00 1.48 H new ATOM 0 HA PHE A 25 4.053 -10.529 -9.413 1.00 1.43 H new ATOM 0 HB2 PHE A 25 1.441 -9.199 -9.765 1.00 1.35 H new ATOM 0 HB3 PHE A 25 1.457 -10.774 -10.534 1.00 1.35 H new ATOM 0 HD1 PHE A 25 2.690 -9.181 -7.346 1.00 2.17 H new ATOM 0 HD2 PHE A 25 0.905 -12.615 -9.207 1.00 2.36 H new ATOM 0 HE1 PHE A 25 2.466 -10.267 -5.126 1.00 2.29 H new ATOM 0 HE2 PHE A 25 0.687 -13.703 -6.990 1.00 2.46 H new ATOM 0 HZ PHE A 25 1.465 -12.529 -4.949 1.00 1.74 H new ATOM 391 N GLU A 26 3.348 -9.757 -12.539 1.00 1.49 N ATOM 392 CA GLU A 26 3.599 -10.181 -13.955 1.00 1.63 C ATOM 393 C GLU A 26 3.080 -11.604 -14.215 1.00 1.63 C ATOM 394 O GLU A 26 3.684 -12.361 -14.954 1.00 1.94 O ATOM 395 CB GLU A 26 5.105 -10.139 -14.225 1.00 1.85 C ATOM 396 CG GLU A 26 5.350 -9.837 -15.705 1.00 2.69 C ATOM 397 CD GLU A 26 6.855 -9.799 -15.976 1.00 2.89 C ATOM 398 OE1 GLU A 26 7.410 -10.844 -16.275 1.00 3.66 O ATOM 399 OE2 GLU A 26 7.428 -8.726 -15.879 1.00 3.35 O ATOM 0 H GLU A 26 2.896 -8.848 -12.439 1.00 1.49 H new ATOM 0 HA GLU A 26 3.068 -9.499 -14.619 1.00 1.63 H new ATOM 0 HB2 GLU A 26 5.575 -9.376 -13.605 1.00 1.85 H new ATOM 0 HB3 GLU A 26 5.560 -11.093 -13.957 1.00 1.85 H new ATOM 0 HG2 GLU A 26 4.877 -10.598 -16.325 1.00 2.69 H new ATOM 0 HG3 GLU A 26 4.897 -8.882 -15.972 1.00 2.69 H new ATOM 406 N LYS A 27 1.969 -11.974 -13.625 1.00 1.55 N ATOM 407 CA LYS A 27 1.426 -13.348 -13.855 1.00 1.65 C ATOM 408 C LYS A 27 0.045 -13.481 -13.210 1.00 1.57 C ATOM 409 O LYS A 27 -0.957 -13.591 -13.893 1.00 1.61 O ATOM 410 CB LYS A 27 2.380 -14.382 -13.249 1.00 1.98 C ATOM 411 CG LYS A 27 2.421 -15.625 -14.142 1.00 2.36 C ATOM 412 CD LYS A 27 1.092 -16.374 -14.038 1.00 3.05 C ATOM 413 CE LYS A 27 1.247 -17.778 -14.626 1.00 3.64 C ATOM 414 NZ LYS A 27 1.593 -18.736 -13.538 1.00 3.80 N ATOM 0 H LYS A 27 1.418 -11.387 -12.998 1.00 1.55 H new ATOM 0 HA LYS A 27 1.334 -13.521 -14.927 1.00 1.65 H new ATOM 0 HB2 LYS A 27 3.379 -13.958 -13.152 1.00 1.98 H new ATOM 0 HB3 LYS A 27 2.050 -14.653 -12.246 1.00 1.98 H new ATOM 0 HG2 LYS A 27 2.608 -15.336 -15.176 1.00 2.36 H new ATOM 0 HG3 LYS A 27 3.242 -16.276 -13.840 1.00 2.36 H new ATOM 0 HD2 LYS A 27 0.779 -16.438 -12.996 1.00 3.05 H new ATOM 0 HD3 LYS A 27 0.313 -15.829 -14.572 1.00 3.05 H new ATOM 0 HE2 LYS A 27 0.322 -18.084 -15.114 1.00 3.64 H new ATOM 0 HE3 LYS A 27 2.026 -17.781 -15.389 1.00 3.64 H new ATOM 0 HZ1 LYS A 27 1.699 -19.691 -13.937 1.00 3.80 H new ATOM 0 HZ2 LYS A 27 2.487 -18.446 -13.092 1.00 3.80 H new ATOM 0 HZ3 LYS A 27 0.836 -18.740 -12.825 1.00 3.80 H new ATOM 428 N ASN A 28 -0.015 -13.480 -11.903 1.00 1.62 N ATOM 429 CA ASN A 28 -1.331 -13.613 -11.211 1.00 1.78 C ATOM 430 C ASN A 28 -2.091 -12.285 -11.275 1.00 1.66 C ATOM 431 O ASN A 28 -3.303 -12.255 -11.171 1.00 2.00 O ATOM 432 CB ASN A 28 -1.101 -13.996 -9.747 1.00 2.00 C ATOM 433 CG ASN A 28 -2.267 -14.856 -9.255 1.00 2.44 C ATOM 434 OD1 ASN A 28 -2.956 -14.490 -8.324 1.00 2.89 O ATOM 435 ND2 ASN A 28 -2.517 -15.993 -9.845 1.00 3.18 N ATOM 0 H ASN A 28 0.792 -13.393 -11.285 1.00 1.62 H new ATOM 0 HA ASN A 28 -1.918 -14.387 -11.705 1.00 1.78 H new ATOM 0 HB2 ASN A 28 -0.164 -14.543 -9.646 1.00 2.00 H new ATOM 0 HB3 ASN A 28 -1.014 -13.098 -9.135 1.00 2.00 H new ATOM 0 HD21 ASN A 28 -3.291 -16.575 -9.524 1.00 3.18 H new ATOM 0 HD22 ASN A 28 -1.938 -16.300 -10.627 1.00 3.18 H new ATOM 442 N VAL A 29 -1.392 -11.189 -11.438 1.00 1.44 N ATOM 443 CA VAL A 29 -2.073 -9.865 -11.500 1.00 1.52 C ATOM 444 C VAL A 29 -1.885 -9.242 -12.894 1.00 1.90 C ATOM 445 O VAL A 29 -2.590 -8.322 -13.263 1.00 2.62 O ATOM 446 CB VAL A 29 -1.482 -8.932 -10.431 1.00 1.25 C ATOM 447 CG1 VAL A 29 -2.399 -7.720 -10.247 1.00 1.42 C ATOM 448 CG2 VAL A 29 -1.366 -9.674 -9.093 1.00 1.34 C ATOM 0 H VAL A 29 -0.377 -11.157 -11.531 1.00 1.44 H new ATOM 0 HA VAL A 29 -3.138 -10.001 -11.313 1.00 1.52 H new ATOM 0 HB VAL A 29 -0.493 -8.606 -10.754 1.00 1.25 H new ATOM 0 HG11 VAL A 29 -1.980 -7.058 -9.489 1.00 1.42 H new ATOM 0 HG12 VAL A 29 -2.485 -7.182 -11.191 1.00 1.42 H new ATOM 0 HG13 VAL A 29 -3.386 -8.056 -9.930 1.00 1.42 H new ATOM 0 HG21 VAL A 29 -0.946 -9.005 -8.341 1.00 1.34 H new ATOM 0 HG22 VAL A 29 -2.354 -10.005 -8.773 1.00 1.34 H new ATOM 0 HG23 VAL A 29 -0.715 -10.540 -9.212 1.00 1.34 H new ATOM 458 N SER A 30 -0.942 -9.730 -13.670 1.00 2.08 N ATOM 459 CA SER A 30 -0.717 -9.160 -15.035 1.00 2.55 C ATOM 460 C SER A 30 -1.591 -9.897 -16.054 1.00 3.12 C ATOM 461 O SER A 30 -2.170 -9.291 -16.936 1.00 3.90 O ATOM 462 CB SER A 30 0.754 -9.317 -15.417 1.00 3.07 C ATOM 463 OG SER A 30 0.908 -9.078 -16.810 1.00 3.83 O ATOM 0 H SER A 30 -0.321 -10.498 -13.415 1.00 2.08 H new ATOM 0 HA SER A 30 -0.982 -8.103 -15.032 1.00 2.55 H new ATOM 0 HB2 SER A 30 1.366 -8.618 -14.847 1.00 3.07 H new ATOM 0 HB3 SER A 30 1.101 -10.320 -15.168 1.00 3.07 H new ATOM 0 HG SER A 30 1.851 -9.177 -17.057 1.00 3.83 H new ATOM 469 N GLN A 31 -1.698 -11.198 -15.934 1.00 3.94 N ATOM 470 CA GLN A 31 -2.545 -11.979 -16.890 1.00 5.10 C ATOM 471 C GLN A 31 -3.945 -12.181 -16.291 1.00 5.68 C ATOM 472 O GLN A 31 -4.647 -13.112 -16.631 1.00 6.92 O ATOM 473 CB GLN A 31 -1.896 -13.343 -17.148 1.00 5.99 C ATOM 474 CG GLN A 31 -1.100 -13.296 -18.456 1.00 6.12 C ATOM 475 CD GLN A 31 -1.958 -13.847 -19.597 1.00 6.53 C ATOM 476 OE1 GLN A 31 -1.546 -14.745 -20.303 1.00 7.49 O ATOM 477 NE2 GLN A 31 -3.144 -13.343 -19.808 1.00 6.34 N ATOM 0 H GLN A 31 -1.235 -11.754 -15.215 1.00 3.94 H new ATOM 0 HA GLN A 31 -2.630 -11.433 -17.830 1.00 5.10 H new ATOM 0 HB2 GLN A 31 -1.238 -13.606 -16.320 1.00 5.99 H new ATOM 0 HB3 GLN A 31 -2.662 -14.116 -17.205 1.00 5.99 H new ATOM 0 HG2 GLN A 31 -0.800 -12.271 -18.675 1.00 6.12 H new ATOM 0 HG3 GLN A 31 -0.186 -13.882 -18.359 1.00 6.12 H new ATOM 0 HE21 GLN A 31 -3.490 -12.589 -19.215 1.00 6.34 H new ATOM 0 HE22 GLN A 31 -3.724 -13.704 -20.566 1.00 6.34 H new ATOM 486 N ALA A 32 -4.349 -11.308 -15.401 1.00 5.10 N ATOM 487 CA ALA A 32 -5.691 -11.416 -14.763 1.00 5.84 C ATOM 488 C ALA A 32 -5.804 -10.292 -13.734 1.00 4.59 C ATOM 489 O ALA A 32 -5.471 -10.465 -12.580 1.00 5.32 O ATOM 490 CB ALA A 32 -5.835 -12.775 -14.065 1.00 7.42 C ATOM 0 H ALA A 32 -3.793 -10.513 -15.087 1.00 5.10 H new ATOM 0 HA ALA A 32 -6.477 -11.333 -15.514 1.00 5.84 H new ATOM 0 HB1 ALA A 32 -6.819 -12.844 -13.602 1.00 7.42 H new ATOM 0 HB2 ALA A 32 -5.722 -13.574 -14.798 1.00 7.42 H new ATOM 0 HB3 ALA A 32 -5.066 -12.874 -13.299 1.00 7.42 H new ATOM 496 N ILE A 33 -6.234 -9.132 -14.156 1.00 3.26 N ATOM 497 CA ILE A 33 -6.334 -7.982 -13.214 1.00 2.09 C ATOM 498 C ILE A 33 -7.670 -8.028 -12.454 1.00 3.00 C ATOM 499 O ILE A 33 -8.638 -8.627 -12.878 1.00 4.64 O ATOM 500 CB ILE A 33 -6.200 -6.660 -13.999 1.00 1.77 C ATOM 501 CG1 ILE A 33 -4.761 -6.509 -14.510 1.00 1.97 C ATOM 502 CG2 ILE A 33 -6.509 -5.466 -13.085 1.00 2.60 C ATOM 503 CD1 ILE A 33 -4.496 -7.500 -15.646 1.00 2.36 C ATOM 0 H ILE A 33 -6.520 -8.933 -15.114 1.00 3.26 H new ATOM 0 HA ILE A 33 -5.527 -8.044 -12.484 1.00 2.09 H new ATOM 0 HB ILE A 33 -6.902 -6.681 -14.832 1.00 1.77 H new ATOM 0 HG12 ILE A 33 -4.597 -5.490 -14.861 1.00 1.97 H new ATOM 0 HG13 ILE A 33 -4.058 -6.682 -13.695 1.00 1.97 H new ATOM 0 HG21 ILE A 33 -6.411 -4.540 -13.651 1.00 2.60 H new ATOM 0 HG22 ILE A 33 -7.527 -5.553 -12.705 1.00 2.60 H new ATOM 0 HG23 ILE A 33 -5.809 -5.457 -12.250 1.00 2.60 H new ATOM 0 HD11 ILE A 33 -3.472 -7.383 -16.000 1.00 2.36 H new ATOM 0 HD12 ILE A 33 -4.640 -8.517 -15.282 1.00 2.36 H new ATOM 0 HD13 ILE A 33 -5.187 -7.307 -16.466 1.00 2.36 H new ATOM 515 N HIS A 34 -7.694 -7.372 -11.329 1.00 2.49 N ATOM 516 CA HIS A 34 -8.917 -7.299 -10.463 1.00 3.22 C ATOM 517 C HIS A 34 -8.611 -6.269 -9.375 1.00 2.52 C ATOM 518 O HIS A 34 -9.413 -5.413 -9.056 1.00 2.90 O ATOM 519 CB HIS A 34 -9.273 -8.663 -9.804 1.00 4.24 C ATOM 520 CG HIS A 34 -8.218 -9.709 -10.064 1.00 4.36 C ATOM 521 ND1 HIS A 34 -6.943 -9.620 -9.534 1.00 4.67 N ATOM 522 CD2 HIS A 34 -8.234 -10.860 -10.813 1.00 4.95 C ATOM 523 CE1 HIS A 34 -6.248 -10.679 -9.971 1.00 5.24 C ATOM 524 NE2 HIS A 34 -6.987 -11.472 -10.752 1.00 5.40 N ATOM 0 H HIS A 34 -6.892 -6.864 -10.957 1.00 2.49 H new ATOM 0 HA HIS A 34 -9.777 -7.024 -11.073 1.00 3.22 H new ATOM 0 HB2 HIS A 34 -9.391 -8.526 -8.729 1.00 4.24 H new ATOM 0 HB3 HIS A 34 -10.232 -9.012 -10.188 1.00 4.24 H new ATOM 0 HD2 HIS A 34 -9.084 -11.233 -11.365 1.00 4.95 H new ATOM 0 HE1 HIS A 34 -5.214 -10.869 -9.722 1.00 5.24 H new ATOM 0 HE2 HIS A 34 -6.699 -12.339 -11.205 1.00 5.40 H new ATOM 532 N LYS A 35 -7.421 -6.338 -8.838 1.00 1.89 N ATOM 533 CA LYS A 35 -6.979 -5.369 -7.804 1.00 1.29 C ATOM 534 C LYS A 35 -5.563 -4.889 -8.169 1.00 0.97 C ATOM 535 O LYS A 35 -4.808 -4.462 -7.321 1.00 0.98 O ATOM 536 CB LYS A 35 -6.952 -6.054 -6.434 1.00 1.60 C ATOM 537 CG LYS A 35 -8.303 -6.720 -6.161 1.00 1.93 C ATOM 538 CD LYS A 35 -9.338 -5.651 -5.808 1.00 2.50 C ATOM 539 CE LYS A 35 -10.735 -6.147 -6.190 1.00 3.40 C ATOM 540 NZ LYS A 35 -11.754 -5.449 -5.357 1.00 4.62 N ATOM 0 H LYS A 35 -6.725 -7.043 -9.082 1.00 1.89 H new ATOM 0 HA LYS A 35 -7.666 -4.523 -7.762 1.00 1.29 H new ATOM 0 HB2 LYS A 35 -6.157 -6.799 -6.405 1.00 1.60 H new ATOM 0 HB3 LYS A 35 -6.733 -5.323 -5.656 1.00 1.60 H new ATOM 0 HG2 LYS A 35 -8.628 -7.280 -7.038 1.00 1.93 H new ATOM 0 HG3 LYS A 35 -8.209 -7.434 -5.343 1.00 1.93 H new ATOM 0 HD2 LYS A 35 -9.298 -5.429 -4.742 1.00 2.50 H new ATOM 0 HD3 LYS A 35 -9.113 -4.724 -6.335 1.00 2.50 H new ATOM 0 HE2 LYS A 35 -10.923 -5.959 -7.247 1.00 3.40 H new ATOM 0 HE3 LYS A 35 -10.804 -7.225 -6.041 1.00 3.40 H new ATOM 0 HZ1 LYS A 35 -12.703 -5.785 -5.616 1.00 4.62 H new ATOM 0 HZ2 LYS A 35 -11.578 -5.650 -4.352 1.00 4.62 H new ATOM 0 HZ3 LYS A 35 -11.693 -4.424 -5.521 1.00 4.62 H new ATOM 554 N TYR A 36 -5.202 -4.966 -9.437 1.00 0.84 N ATOM 555 CA TYR A 36 -3.844 -4.527 -9.879 1.00 0.68 C ATOM 556 C TYR A 36 -3.669 -3.039 -9.554 1.00 0.62 C ATOM 557 O TYR A 36 -2.692 -2.641 -8.949 1.00 0.67 O ATOM 558 CB TYR A 36 -3.719 -4.768 -11.397 1.00 0.75 C ATOM 559 CG TYR A 36 -2.326 -4.426 -11.892 1.00 0.85 C ATOM 560 CD1 TYR A 36 -1.903 -3.091 -11.944 1.00 1.89 C ATOM 561 CD2 TYR A 36 -1.460 -5.447 -12.307 1.00 2.07 C ATOM 562 CE1 TYR A 36 -0.619 -2.779 -12.406 1.00 1.96 C ATOM 563 CE2 TYR A 36 -0.176 -5.133 -12.769 1.00 2.22 C ATOM 564 CZ TYR A 36 0.245 -3.800 -12.817 1.00 1.27 C ATOM 565 OH TYR A 36 1.511 -3.491 -13.272 1.00 1.53 O ATOM 0 H TYR A 36 -5.800 -5.318 -10.184 1.00 0.84 H new ATOM 0 HA TYR A 36 -3.069 -5.092 -9.361 1.00 0.68 H new ATOM 0 HB2 TYR A 36 -3.942 -5.811 -11.622 1.00 0.75 H new ATOM 0 HB3 TYR A 36 -4.455 -4.163 -11.926 1.00 0.75 H new ATOM 0 HD1 TYR A 36 -2.569 -2.302 -11.627 1.00 1.89 H new ATOM 0 HD2 TYR A 36 -1.783 -6.477 -12.270 1.00 2.07 H new ATOM 0 HE1 TYR A 36 -0.295 -1.749 -12.445 1.00 1.96 H new ATOM 0 HE2 TYR A 36 0.490 -5.921 -13.089 1.00 2.22 H new ATOM 0 HH TYR A 36 2.167 -4.075 -12.837 1.00 1.53 H new ATOM 575 N ASN A 37 -4.616 -2.222 -9.943 1.00 0.63 N ATOM 576 CA ASN A 37 -4.521 -0.760 -9.646 1.00 0.70 C ATOM 577 C ASN A 37 -4.501 -0.535 -8.125 1.00 0.72 C ATOM 578 O ASN A 37 -4.114 0.513 -7.654 1.00 0.79 O ATOM 579 CB ASN A 37 -5.727 -0.039 -10.253 1.00 0.94 C ATOM 580 CG ASN A 37 -5.575 0.021 -11.774 1.00 1.57 C ATOM 581 OD1 ASN A 37 -4.920 -0.814 -12.364 1.00 2.74 O ATOM 582 ND2 ASN A 37 -6.156 0.982 -12.439 1.00 2.30 N ATOM 0 H ASN A 37 -5.452 -2.505 -10.454 1.00 0.63 H new ATOM 0 HA ASN A 37 -3.602 -0.365 -10.078 1.00 0.70 H new ATOM 0 HB2 ASN A 37 -6.647 -0.561 -9.989 1.00 0.94 H new ATOM 0 HB3 ASN A 37 -5.805 0.969 -9.845 1.00 0.94 H new ATOM 0 HD21 ASN A 37 -6.060 1.031 -13.453 1.00 2.30 H new ATOM 0 HD22 ASN A 37 -6.707 1.684 -11.944 1.00 2.30 H new ATOM 589 N ALA A 38 -4.923 -1.511 -7.361 1.00 0.78 N ATOM 590 CA ALA A 38 -4.941 -1.377 -5.873 1.00 0.96 C ATOM 591 C ALA A 38 -3.544 -1.050 -5.338 1.00 0.77 C ATOM 592 O ALA A 38 -3.374 -0.224 -4.463 1.00 0.79 O ATOM 593 CB ALA A 38 -5.370 -2.720 -5.272 1.00 1.26 C ATOM 0 H ALA A 38 -5.261 -2.408 -7.711 1.00 0.78 H new ATOM 0 HA ALA A 38 -5.628 -0.575 -5.602 1.00 0.96 H new ATOM 0 HB1 ALA A 38 -5.389 -2.643 -4.185 1.00 1.26 H new ATOM 0 HB2 ALA A 38 -6.364 -2.980 -5.635 1.00 1.26 H new ATOM 0 HB3 ALA A 38 -4.662 -3.494 -5.568 1.00 1.26 H new ATOM 599 N TYR A 39 -2.556 -1.736 -5.832 1.00 0.70 N ATOM 600 CA TYR A 39 -1.151 -1.538 -5.334 1.00 0.70 C ATOM 601 C TYR A 39 -0.433 -0.465 -6.155 1.00 0.59 C ATOM 602 O TYR A 39 0.586 0.054 -5.741 1.00 0.70 O ATOM 603 CB TYR A 39 -0.374 -2.872 -5.412 1.00 0.84 C ATOM 604 CG TYR A 39 -1.351 -4.027 -5.316 1.00 0.90 C ATOM 605 CD1 TYR A 39 -1.978 -4.315 -4.099 1.00 1.71 C ATOM 606 CD2 TYR A 39 -1.674 -4.759 -6.461 1.00 1.79 C ATOM 607 CE1 TYR A 39 -2.927 -5.339 -4.026 1.00 1.79 C ATOM 608 CE2 TYR A 39 -2.614 -5.789 -6.390 1.00 1.78 C ATOM 609 CZ TYR A 39 -3.245 -6.080 -5.172 1.00 1.03 C ATOM 610 OH TYR A 39 -4.182 -7.091 -5.104 1.00 1.12 O ATOM 0 H TYR A 39 -2.653 -2.435 -6.568 1.00 0.70 H new ATOM 0 HA TYR A 39 -1.193 -1.207 -4.296 1.00 0.70 H new ATOM 0 HB2 TYR A 39 0.182 -2.928 -6.348 1.00 0.84 H new ATOM 0 HB3 TYR A 39 0.355 -2.929 -4.604 1.00 0.84 H new ATOM 0 HD1 TYR A 39 -1.729 -3.746 -3.215 1.00 1.71 H new ATOM 0 HD2 TYR A 39 -1.196 -4.528 -7.402 1.00 1.79 H new ATOM 0 HE1 TYR A 39 -3.414 -5.559 -3.088 1.00 1.79 H new ATOM 0 HE2 TYR A 39 -2.855 -6.362 -7.273 1.00 1.78 H new ATOM 0 HH TYR A 39 -4.842 -6.879 -4.411 1.00 1.12 H new ATOM 620 N ARG A 40 -0.953 -0.121 -7.304 1.00 0.51 N ATOM 621 CA ARG A 40 -0.303 0.928 -8.136 1.00 0.57 C ATOM 622 C ARG A 40 -0.614 2.298 -7.524 1.00 0.53 C ATOM 623 O ARG A 40 0.195 3.209 -7.558 1.00 0.68 O ATOM 624 CB ARG A 40 -0.862 0.851 -9.559 1.00 0.71 C ATOM 625 CG ARG A 40 -0.158 1.877 -10.450 1.00 1.18 C ATOM 626 CD ARG A 40 1.247 1.378 -10.794 1.00 1.01 C ATOM 627 NE ARG A 40 1.221 0.686 -12.121 1.00 2.39 N ATOM 628 CZ ARG A 40 2.332 0.413 -12.776 1.00 2.90 C ATOM 629 NH1 ARG A 40 3.512 0.728 -12.291 1.00 2.83 N ATOM 630 NH2 ARG A 40 2.258 -0.187 -13.933 1.00 4.41 N ATOM 0 H ARG A 40 -1.802 -0.524 -7.701 1.00 0.51 H new ATOM 0 HA ARG A 40 0.776 0.779 -8.167 1.00 0.57 H new ATOM 0 HB2 ARG A 40 -0.720 -0.152 -9.961 1.00 0.71 H new ATOM 0 HB3 ARG A 40 -1.935 1.041 -9.548 1.00 0.71 H new ATOM 0 HG2 ARG A 40 -0.732 2.036 -11.363 1.00 1.18 H new ATOM 0 HG3 ARG A 40 -0.099 2.838 -9.939 1.00 1.18 H new ATOM 0 HD2 ARG A 40 1.945 2.215 -10.822 1.00 1.01 H new ATOM 0 HD3 ARG A 40 1.600 0.694 -10.022 1.00 1.01 H new ATOM 0 HE ARG A 40 0.324 0.420 -12.527 1.00 2.39 H new ATOM 0 HH11 ARG A 40 3.584 1.195 -11.387 1.00 2.83 H new ATOM 0 HH12 ARG A 40 4.356 0.505 -12.818 1.00 2.83 H new ATOM 0 HH21 ARG A 40 1.348 -0.439 -14.320 1.00 4.41 H new ATOM 0 HH22 ARG A 40 3.110 -0.404 -14.450 1.00 4.41 H new ATOM 644 N LYS A 41 -1.782 2.439 -6.955 1.00 0.60 N ATOM 645 CA LYS A 41 -2.175 3.733 -6.329 1.00 0.72 C ATOM 646 C LYS A 41 -1.615 3.803 -4.909 1.00 0.63 C ATOM 647 O LYS A 41 -1.011 4.785 -4.524 1.00 0.60 O ATOM 648 CB LYS A 41 -3.701 3.832 -6.283 1.00 0.99 C ATOM 649 CG LYS A 41 -4.262 3.718 -7.700 1.00 1.85 C ATOM 650 CD LYS A 41 -4.385 5.114 -8.314 1.00 1.59 C ATOM 651 CE LYS A 41 -5.204 5.037 -9.604 1.00 2.47 C ATOM 652 NZ LYS A 41 -6.535 4.437 -9.310 1.00 3.43 N ATOM 0 H LYS A 41 -2.487 1.704 -6.897 1.00 0.60 H new ATOM 0 HA LYS A 41 -1.775 4.559 -6.917 1.00 0.72 H new ATOM 0 HB2 LYS A 41 -4.109 3.040 -5.654 1.00 0.99 H new ATOM 0 HB3 LYS A 41 -4.001 4.780 -5.837 1.00 0.99 H new ATOM 0 HG2 LYS A 41 -3.609 3.096 -8.312 1.00 1.85 H new ATOM 0 HG3 LYS A 41 -5.237 3.231 -7.678 1.00 1.85 H new ATOM 0 HD2 LYS A 41 -4.864 5.792 -7.607 1.00 1.59 H new ATOM 0 HD3 LYS A 41 -3.395 5.519 -8.524 1.00 1.59 H new ATOM 0 HE2 LYS A 41 -5.328 6.033 -10.029 1.00 2.47 H new ATOM 0 HE3 LYS A 41 -4.678 4.437 -10.346 1.00 2.47 H new ATOM 0 HZ1 LYS A 41 -7.274 4.970 -9.811 1.00 3.43 H new ATOM 0 HZ2 LYS A 41 -6.547 3.446 -9.627 1.00 3.43 H new ATOM 0 HZ3 LYS A 41 -6.715 4.475 -8.286 1.00 3.43 H new ATOM 666 N ALA A 42 -1.810 2.768 -4.123 1.00 0.66 N ATOM 667 CA ALA A 42 -1.286 2.774 -2.720 1.00 0.73 C ATOM 668 C ALA A 42 0.227 2.977 -2.746 1.00 0.62 C ATOM 669 O ALA A 42 0.768 3.765 -1.999 1.00 0.74 O ATOM 670 CB ALA A 42 -1.601 1.440 -2.038 1.00 0.91 C ATOM 0 H ALA A 42 -2.309 1.921 -4.394 1.00 0.66 H new ATOM 0 HA ALA A 42 -1.761 3.584 -2.166 1.00 0.73 H new ATOM 0 HB1 ALA A 42 -1.216 1.453 -1.018 1.00 0.91 H new ATOM 0 HB2 ALA A 42 -2.680 1.288 -2.017 1.00 0.91 H new ATOM 0 HB3 ALA A 42 -1.131 0.628 -2.593 1.00 0.91 H new ATOM 676 N ALA A 43 0.906 2.271 -3.609 1.00 0.59 N ATOM 677 CA ALA A 43 2.388 2.404 -3.707 1.00 0.65 C ATOM 678 C ALA A 43 2.763 3.847 -4.058 1.00 0.50 C ATOM 679 O ALA A 43 3.717 4.389 -3.533 1.00 0.48 O ATOM 680 CB ALA A 43 2.899 1.469 -4.800 1.00 0.81 C ATOM 0 H ALA A 43 0.493 1.601 -4.257 1.00 0.59 H new ATOM 0 HA ALA A 43 2.839 2.142 -2.750 1.00 0.65 H new ATOM 0 HB1 ALA A 43 3.982 1.559 -4.879 1.00 0.81 H new ATOM 0 HB2 ALA A 43 2.638 0.441 -4.550 1.00 0.81 H new ATOM 0 HB3 ALA A 43 2.442 1.738 -5.752 1.00 0.81 H new ATOM 686 N SER A 44 2.025 4.469 -4.942 1.00 0.52 N ATOM 687 CA SER A 44 2.341 5.879 -5.330 1.00 0.51 C ATOM 688 C SER A 44 2.284 6.785 -4.095 1.00 0.43 C ATOM 689 O SER A 44 3.164 7.595 -3.868 1.00 0.51 O ATOM 690 CB SER A 44 1.319 6.363 -6.359 1.00 0.69 C ATOM 691 OG SER A 44 1.882 7.425 -7.116 1.00 1.54 O ATOM 0 H SER A 44 1.217 4.062 -5.413 1.00 0.52 H new ATOM 0 HA SER A 44 3.343 5.917 -5.758 1.00 0.51 H new ATOM 0 HB2 SER A 44 1.033 5.543 -7.018 1.00 0.69 H new ATOM 0 HB3 SER A 44 0.412 6.700 -5.857 1.00 0.69 H new ATOM 0 HG SER A 44 1.230 7.736 -7.778 1.00 1.54 H new ATOM 697 N VAL A 45 1.253 6.654 -3.300 1.00 0.41 N ATOM 698 CA VAL A 45 1.124 7.507 -2.077 1.00 0.49 C ATOM 699 C VAL A 45 1.784 6.827 -0.866 1.00 0.63 C ATOM 700 O VAL A 45 1.735 7.355 0.224 1.00 1.02 O ATOM 701 CB VAL A 45 -0.371 7.760 -1.779 1.00 0.50 C ATOM 702 CG1 VAL A 45 -1.086 6.440 -1.459 1.00 0.50 C ATOM 703 CG2 VAL A 45 -0.514 8.702 -0.577 1.00 0.59 C ATOM 0 H VAL A 45 0.492 5.991 -3.445 1.00 0.41 H new ATOM 0 HA VAL A 45 1.629 8.455 -2.259 1.00 0.49 H new ATOM 0 HB VAL A 45 -0.822 8.212 -2.662 1.00 0.50 H new ATOM 0 HG11 VAL A 45 -2.138 6.637 -1.252 1.00 0.50 H new ATOM 0 HG12 VAL A 45 -1.004 5.766 -2.312 1.00 0.50 H new ATOM 0 HG13 VAL A 45 -0.624 5.978 -0.586 1.00 0.50 H new ATOM 0 HG21 VAL A 45 -1.571 8.875 -0.374 1.00 0.59 H new ATOM 0 HG22 VAL A 45 -0.046 8.250 0.297 1.00 0.59 H new ATOM 0 HG23 VAL A 45 -0.027 9.652 -0.799 1.00 0.59 H new ATOM 713 N ILE A 46 2.379 5.666 -1.037 1.00 0.70 N ATOM 714 CA ILE A 46 3.022 4.968 0.122 1.00 0.93 C ATOM 715 C ILE A 46 4.516 5.331 0.198 1.00 0.72 C ATOM 716 O ILE A 46 5.002 5.806 1.205 1.00 0.72 O ATOM 717 CB ILE A 46 2.811 3.426 -0.037 1.00 1.34 C ATOM 718 CG1 ILE A 46 1.519 2.978 0.684 1.00 1.26 C ATOM 719 CG2 ILE A 46 3.989 2.605 0.522 1.00 2.25 C ATOM 720 CD1 ILE A 46 1.512 3.436 2.149 1.00 1.68 C ATOM 0 H ILE A 46 2.446 5.174 -1.928 1.00 0.70 H new ATOM 0 HA ILE A 46 2.562 5.289 1.057 1.00 0.93 H new ATOM 0 HB ILE A 46 2.738 3.238 -1.108 1.00 1.34 H new ATOM 0 HG12 ILE A 46 0.651 3.388 0.168 1.00 1.26 H new ATOM 0 HG13 ILE A 46 1.433 1.892 0.639 1.00 1.26 H new ATOM 0 HG21 ILE A 46 3.789 1.542 0.385 1.00 2.25 H new ATOM 0 HG22 ILE A 46 4.903 2.873 -0.007 1.00 2.25 H new ATOM 0 HG23 ILE A 46 4.109 2.818 1.584 1.00 2.25 H new ATOM 0 HD11 ILE A 46 0.591 3.106 2.629 1.00 1.68 H new ATOM 0 HD12 ILE A 46 2.367 3.004 2.669 1.00 1.68 H new ATOM 0 HD13 ILE A 46 1.573 4.523 2.191 1.00 1.68 H new ATOM 732 N ALA A 47 5.255 5.055 -0.845 1.00 0.74 N ATOM 733 CA ALA A 47 6.726 5.326 -0.829 1.00 0.68 C ATOM 734 C ALA A 47 7.008 6.780 -0.421 1.00 0.68 C ATOM 735 O ALA A 47 7.876 7.037 0.392 1.00 0.82 O ATOM 736 CB ALA A 47 7.298 5.035 -2.209 1.00 0.81 C ATOM 0 H ALA A 47 4.902 4.651 -1.713 1.00 0.74 H new ATOM 0 HA ALA A 47 7.204 4.679 -0.094 1.00 0.68 H new ATOM 0 HB1 ALA A 47 8.370 5.230 -2.207 1.00 0.81 H new ATOM 0 HB2 ALA A 47 7.120 3.990 -2.464 1.00 0.81 H new ATOM 0 HB3 ALA A 47 6.814 5.676 -2.946 1.00 0.81 H new ATOM 742 N LYS A 48 6.261 7.723 -0.942 1.00 0.67 N ATOM 743 CA LYS A 48 6.473 9.146 -0.534 1.00 0.81 C ATOM 744 C LYS A 48 6.028 9.275 0.927 1.00 0.90 C ATOM 745 O LYS A 48 6.599 10.006 1.711 1.00 1.12 O ATOM 746 CB LYS A 48 5.631 10.071 -1.418 1.00 0.85 C ATOM 747 CG LYS A 48 6.506 10.653 -2.529 1.00 1.49 C ATOM 748 CD LYS A 48 5.673 10.823 -3.802 1.00 1.80 C ATOM 749 CE LYS A 48 6.589 10.759 -5.025 1.00 2.86 C ATOM 750 NZ LYS A 48 6.670 9.354 -5.514 1.00 4.52 N ATOM 0 H LYS A 48 5.520 7.571 -1.626 1.00 0.67 H new ATOM 0 HA LYS A 48 7.520 9.427 -0.644 1.00 0.81 H new ATOM 0 HB2 LYS A 48 4.797 9.518 -1.850 1.00 0.85 H new ATOM 0 HB3 LYS A 48 5.204 10.875 -0.818 1.00 0.85 H new ATOM 0 HG2 LYS A 48 6.914 11.615 -2.218 1.00 1.49 H new ATOM 0 HG3 LYS A 48 7.353 9.994 -2.722 1.00 1.49 H new ATOM 0 HD2 LYS A 48 4.916 10.041 -3.861 1.00 1.80 H new ATOM 0 HD3 LYS A 48 5.146 11.777 -3.779 1.00 1.80 H new ATOM 0 HE2 LYS A 48 6.207 11.408 -5.813 1.00 2.86 H new ATOM 0 HE3 LYS A 48 7.583 11.123 -4.767 1.00 2.86 H new ATOM 0 HZ1 LYS A 48 7.293 9.311 -6.346 1.00 4.52 H new ATOM 0 HZ2 LYS A 48 7.054 8.746 -4.762 1.00 4.52 H new ATOM 0 HZ3 LYS A 48 5.720 9.022 -5.776 1.00 4.52 H new ATOM 764 N TYR A 49 5.018 8.527 1.288 1.00 0.89 N ATOM 765 CA TYR A 49 4.494 8.518 2.689 1.00 1.14 C ATOM 766 C TYR A 49 5.644 8.193 3.656 1.00 1.05 C ATOM 767 O TYR A 49 6.673 7.717 3.218 1.00 0.90 O ATOM 768 CB TYR A 49 3.454 7.374 2.755 1.00 1.52 C ATOM 769 CG TYR A 49 2.196 7.705 3.536 1.00 1.48 C ATOM 770 CD1 TYR A 49 1.802 9.025 3.792 1.00 1.65 C ATOM 771 CD2 TYR A 49 1.410 6.644 4.006 1.00 2.66 C ATOM 772 CE1 TYR A 49 0.638 9.278 4.514 1.00 2.03 C ATOM 773 CE2 TYR A 49 0.240 6.902 4.726 1.00 2.88 C ATOM 774 CZ TYR A 49 -0.144 8.220 4.982 1.00 2.19 C ATOM 775 OH TYR A 49 -1.299 8.479 5.692 1.00 2.71 O ATOM 0 H TYR A 49 4.520 7.904 0.652 1.00 0.89 H new ATOM 0 HA TYR A 49 4.060 9.481 2.959 1.00 1.14 H new ATOM 0 HB2 TYR A 49 3.172 7.098 1.739 1.00 1.52 H new ATOM 0 HB3 TYR A 49 3.924 6.499 3.204 1.00 1.52 H new ATOM 0 HD1 TYR A 49 2.401 9.847 3.429 1.00 1.65 H new ATOM 0 HD2 TYR A 49 1.709 5.625 3.811 1.00 2.66 H new ATOM 0 HE1 TYR A 49 0.339 10.297 4.713 1.00 2.03 H new ATOM 0 HE2 TYR A 49 -0.366 6.083 5.084 1.00 2.88 H new ATOM 0 HH TYR A 49 -2.055 8.027 5.263 1.00 2.71 H new ATOM 785 N PRO A 50 5.440 8.387 4.954 1.00 1.41 N ATOM 786 CA PRO A 50 6.471 8.027 5.929 1.00 1.46 C ATOM 787 C PRO A 50 6.670 6.499 5.903 1.00 1.33 C ATOM 788 O PRO A 50 7.612 6.003 6.481 1.00 1.43 O ATOM 789 CB PRO A 50 5.930 8.498 7.286 1.00 1.91 C ATOM 790 CG PRO A 50 4.584 9.214 7.024 1.00 2.17 C ATOM 791 CD PRO A 50 4.219 8.972 5.553 1.00 1.91 C ATOM 0 HA PRO A 50 7.438 8.484 5.719 1.00 1.46 H new ATOM 0 HB2 PRO A 50 5.790 7.651 7.958 1.00 1.91 H new ATOM 0 HB3 PRO A 50 6.637 9.174 7.767 1.00 1.91 H new ATOM 0 HG2 PRO A 50 3.807 8.825 7.682 1.00 2.17 H new ATOM 0 HG3 PRO A 50 4.670 10.281 7.228 1.00 2.17 H new ATOM 0 HD2 PRO A 50 3.370 8.295 5.462 1.00 1.91 H new ATOM 0 HD3 PRO A 50 3.940 9.901 5.056 1.00 1.91 H new ATOM 799 N HIS A 51 5.775 5.759 5.226 1.00 1.28 N ATOM 800 CA HIS A 51 5.862 4.265 5.109 1.00 1.42 C ATOM 801 C HIS A 51 5.123 3.619 6.293 1.00 1.76 C ATOM 802 O HIS A 51 3.909 3.644 6.332 1.00 3.24 O ATOM 803 CB HIS A 51 7.325 3.794 5.001 1.00 1.67 C ATOM 804 CG HIS A 51 8.016 4.523 3.878 1.00 1.40 C ATOM 805 ND1 HIS A 51 8.071 4.010 2.592 1.00 2.50 N ATOM 806 CD2 HIS A 51 8.697 5.715 3.835 1.00 2.38 C ATOM 807 CE1 HIS A 51 8.762 4.882 1.836 1.00 2.89 C ATOM 808 NE2 HIS A 51 9.166 5.939 2.544 1.00 2.86 N ATOM 0 H HIS A 51 4.972 6.161 4.743 1.00 1.28 H new ATOM 0 HA HIS A 51 5.375 3.946 4.188 1.00 1.42 H new ATOM 0 HB2 HIS A 51 7.846 3.978 5.941 1.00 1.67 H new ATOM 0 HB3 HIS A 51 7.358 2.719 4.823 1.00 1.67 H new ATOM 0 HD2 HIS A 51 8.846 6.377 4.675 1.00 2.38 H new ATOM 0 HE1 HIS A 51 8.965 4.744 0.784 1.00 2.89 H new ATOM 0 HE2 HIS A 51 9.703 6.739 2.210 1.00 2.86 H new ATOM 816 N LYS A 52 5.807 3.034 7.254 1.00 1.15 N ATOM 817 CA LYS A 52 5.091 2.406 8.410 1.00 1.43 C ATOM 818 C LYS A 52 4.177 3.451 9.065 1.00 1.17 C ATOM 819 O LYS A 52 3.141 3.129 9.608 1.00 2.57 O ATOM 820 CB LYS A 52 6.107 1.889 9.436 1.00 2.24 C ATOM 821 CG LYS A 52 7.065 3.012 9.839 1.00 1.77 C ATOM 822 CD LYS A 52 7.718 2.665 11.181 1.00 2.45 C ATOM 823 CE LYS A 52 8.443 3.894 11.736 1.00 2.95 C ATOM 824 NZ LYS A 52 7.589 4.553 12.764 1.00 3.87 N ATOM 0 H LYS A 52 6.824 2.966 7.285 1.00 1.15 H new ATOM 0 HA LYS A 52 4.492 1.568 8.054 1.00 1.43 H new ATOM 0 HB2 LYS A 52 5.587 1.511 10.316 1.00 2.24 H new ATOM 0 HB3 LYS A 52 6.668 1.055 9.015 1.00 2.24 H new ATOM 0 HG2 LYS A 52 7.829 3.145 9.074 1.00 1.77 H new ATOM 0 HG3 LYS A 52 6.525 3.955 9.918 1.00 1.77 H new ATOM 0 HD2 LYS A 52 6.960 2.328 11.888 1.00 2.45 H new ATOM 0 HD3 LYS A 52 8.422 1.843 11.052 1.00 2.45 H new ATOM 0 HE2 LYS A 52 9.397 3.600 12.174 1.00 2.95 H new ATOM 0 HE3 LYS A 52 8.665 4.593 10.930 1.00 2.95 H new ATOM 0 HZ1 LYS A 52 8.081 5.388 13.141 1.00 3.87 H new ATOM 0 HZ2 LYS A 52 6.690 4.847 12.332 1.00 3.87 H new ATOM 0 HZ3 LYS A 52 7.399 3.885 13.538 1.00 3.87 H new ATOM 838 N ILE A 53 4.553 4.706 8.994 1.00 1.65 N ATOM 839 CA ILE A 53 3.711 5.792 9.589 1.00 2.18 C ATOM 840 C ILE A 53 3.531 5.547 11.092 1.00 2.64 C ATOM 841 O ILE A 53 3.781 4.464 11.586 1.00 2.86 O ATOM 842 CB ILE A 53 2.340 5.806 8.897 1.00 2.03 C ATOM 843 CG1 ILE A 53 2.525 5.921 7.377 1.00 3.28 C ATOM 844 CG2 ILE A 53 1.518 6.997 9.388 1.00 2.44 C ATOM 845 CD1 ILE A 53 1.556 4.969 6.673 1.00 3.13 C ATOM 0 H ILE A 53 5.412 5.026 8.547 1.00 1.65 H new ATOM 0 HA ILE A 53 4.203 6.754 9.444 1.00 2.18 H new ATOM 0 HB ILE A 53 1.819 4.879 9.136 1.00 2.03 H new ATOM 0 HG12 ILE A 53 2.344 6.946 7.054 1.00 3.28 H new ATOM 0 HG13 ILE A 53 3.552 5.678 7.105 1.00 3.28 H new ATOM 0 HG21 ILE A 53 0.548 6.999 8.892 1.00 2.44 H new ATOM 0 HG22 ILE A 53 1.374 6.920 10.466 1.00 2.44 H new ATOM 0 HG23 ILE A 53 2.045 7.923 9.157 1.00 2.44 H new ATOM 0 HD11 ILE A 53 1.686 5.050 5.594 1.00 3.13 H new ATOM 0 HD12 ILE A 53 1.759 3.945 6.987 1.00 3.13 H new ATOM 0 HD13 ILE A 53 0.532 5.233 6.935 1.00 3.13 H new ATOM 857 N LYS A 54 3.105 6.548 11.822 1.00 3.03 N ATOM 858 CA LYS A 54 2.911 6.381 13.292 1.00 3.58 C ATOM 859 C LYS A 54 1.531 5.774 13.563 1.00 3.35 C ATOM 860 O LYS A 54 1.417 4.714 14.149 1.00 3.44 O ATOM 861 CB LYS A 54 3.010 7.744 13.978 1.00 4.25 C ATOM 862 CG LYS A 54 4.457 7.996 14.408 1.00 4.91 C ATOM 863 CD LYS A 54 5.213 8.688 13.271 1.00 6.21 C ATOM 864 CE LYS A 54 4.851 10.175 13.244 1.00 7.48 C ATOM 865 NZ LYS A 54 6.055 10.971 12.872 1.00 8.80 N ATOM 0 H LYS A 54 2.883 7.476 11.460 1.00 3.03 H new ATOM 0 HA LYS A 54 3.682 5.718 13.685 1.00 3.58 H new ATOM 0 HB2 LYS A 54 2.679 8.530 13.299 1.00 4.25 H new ATOM 0 HB3 LYS A 54 2.351 7.775 14.846 1.00 4.25 H new ATOM 0 HG2 LYS A 54 4.479 8.616 15.304 1.00 4.91 H new ATOM 0 HG3 LYS A 54 4.942 7.053 14.661 1.00 4.91 H new ATOM 0 HD2 LYS A 54 6.287 8.567 13.409 1.00 6.21 H new ATOM 0 HD3 LYS A 54 4.960 8.224 12.317 1.00 6.21 H new ATOM 0 HE2 LYS A 54 4.049 10.352 12.528 1.00 7.48 H new ATOM 0 HE3 LYS A 54 4.482 10.488 14.220 1.00 7.48 H new ATOM 0 HZ1 LYS A 54 5.811 11.982 12.853 1.00 8.80 H new ATOM 0 HZ2 LYS A 54 6.808 10.810 13.571 1.00 8.80 H new ATOM 0 HZ3 LYS A 54 6.388 10.678 11.931 1.00 8.80 H new ATOM 879 N SER A 55 0.487 6.443 13.144 1.00 3.28 N ATOM 880 CA SER A 55 -0.890 5.914 13.378 1.00 3.15 C ATOM 881 C SER A 55 -1.113 4.666 12.520 1.00 2.65 C ATOM 882 O SER A 55 -0.261 4.275 11.746 1.00 3.26 O ATOM 883 CB SER A 55 -1.918 6.982 13.003 1.00 3.29 C ATOM 884 OG SER A 55 -1.707 8.139 13.801 1.00 4.41 O ATOM 0 H SER A 55 0.529 7.334 12.649 1.00 3.28 H new ATOM 0 HA SER A 55 -1.004 5.654 14.431 1.00 3.15 H new ATOM 0 HB2 SER A 55 -1.828 7.234 11.946 1.00 3.29 H new ATOM 0 HB3 SER A 55 -2.928 6.600 13.155 1.00 3.29 H new ATOM 0 HG SER A 55 -2.364 8.826 13.561 1.00 4.41 H new ATOM 890 N GLY A 56 -2.255 4.041 12.657 1.00 2.27 N ATOM 891 CA GLY A 56 -2.547 2.814 11.857 1.00 2.43 C ATOM 892 C GLY A 56 -3.601 3.129 10.793 1.00 2.01 C ATOM 893 O GLY A 56 -3.639 2.508 9.747 1.00 2.50 O ATOM 0 H GLY A 56 -3.000 4.329 13.291 1.00 2.27 H new ATOM 0 HA2 GLY A 56 -1.635 2.452 11.383 1.00 2.43 H new ATOM 0 HA3 GLY A 56 -2.903 2.018 12.511 1.00 2.43 H new ATOM 897 N ALA A 57 -4.457 4.088 11.052 1.00 1.48 N ATOM 898 CA ALA A 57 -5.512 4.447 10.056 1.00 1.74 C ATOM 899 C ALA A 57 -4.999 5.541 9.107 1.00 1.41 C ATOM 900 O ALA A 57 -5.773 6.160 8.398 1.00 1.49 O ATOM 901 CB ALA A 57 -6.752 4.955 10.793 1.00 2.10 C ATOM 0 H ALA A 57 -4.470 4.637 11.911 1.00 1.48 H new ATOM 0 HA ALA A 57 -5.764 3.562 9.472 1.00 1.74 H new ATOM 0 HB1 ALA A 57 -7.523 5.218 10.069 1.00 2.10 H new ATOM 0 HB2 ALA A 57 -7.127 4.175 11.455 1.00 2.10 H new ATOM 0 HB3 ALA A 57 -6.491 5.835 11.381 1.00 2.10 H new ATOM 907 N GLU A 58 -3.708 5.786 9.080 1.00 1.14 N ATOM 908 CA GLU A 58 -3.164 6.835 8.173 1.00 0.94 C ATOM 909 C GLU A 58 -3.391 6.412 6.720 1.00 0.84 C ATOM 910 O GLU A 58 -3.558 7.239 5.843 1.00 0.83 O ATOM 911 CB GLU A 58 -1.668 7.017 8.440 1.00 0.88 C ATOM 912 CG GLU A 58 -1.455 8.229 9.354 1.00 1.53 C ATOM 913 CD GLU A 58 -1.128 9.459 8.505 1.00 2.73 C ATOM 914 OE1 GLU A 58 -0.176 9.393 7.745 1.00 3.56 O ATOM 915 OE2 GLU A 58 -1.835 10.446 8.629 1.00 3.90 O ATOM 0 H GLU A 58 -3.013 5.302 9.649 1.00 1.14 H new ATOM 0 HA GLU A 58 -3.673 7.781 8.355 1.00 0.94 H new ATOM 0 HB2 GLU A 58 -1.259 6.120 8.906 1.00 0.88 H new ATOM 0 HB3 GLU A 58 -1.135 7.159 7.500 1.00 0.88 H new ATOM 0 HG2 GLU A 58 -2.351 8.412 9.948 1.00 1.53 H new ATOM 0 HG3 GLU A 58 -0.643 8.031 10.054 1.00 1.53 H new ATOM 922 N ALA A 59 -3.418 5.127 6.462 1.00 0.87 N ATOM 923 CA ALA A 59 -3.658 4.647 5.069 1.00 0.86 C ATOM 924 C ALA A 59 -5.049 5.110 4.626 1.00 0.91 C ATOM 925 O ALA A 59 -5.282 5.391 3.466 1.00 0.89 O ATOM 926 CB ALA A 59 -3.585 3.119 5.035 1.00 1.01 C ATOM 0 H ALA A 59 -3.284 4.392 7.156 1.00 0.87 H new ATOM 0 HA ALA A 59 -2.901 5.052 4.397 1.00 0.86 H new ATOM 0 HB1 ALA A 59 -3.760 2.769 4.018 1.00 1.01 H new ATOM 0 HB2 ALA A 59 -2.598 2.794 5.365 1.00 1.01 H new ATOM 0 HB3 ALA A 59 -4.344 2.704 5.698 1.00 1.01 H new ATOM 932 N LYS A 60 -5.968 5.206 5.557 1.00 1.07 N ATOM 933 CA LYS A 60 -7.342 5.669 5.216 1.00 1.20 C ATOM 934 C LYS A 60 -7.281 7.155 4.861 1.00 1.16 C ATOM 935 O LYS A 60 -7.965 7.619 3.969 1.00 1.24 O ATOM 936 CB LYS A 60 -8.265 5.464 6.419 1.00 1.42 C ATOM 937 CG LYS A 60 -9.667 5.096 5.933 1.00 1.69 C ATOM 938 CD LYS A 60 -10.317 4.134 6.928 1.00 2.20 C ATOM 939 CE LYS A 60 -10.910 4.929 8.092 1.00 2.52 C ATOM 940 NZ LYS A 60 -11.243 4.000 9.208 1.00 3.39 N ATOM 0 H LYS A 60 -5.821 4.982 6.541 1.00 1.07 H new ATOM 0 HA LYS A 60 -7.730 5.100 4.371 1.00 1.20 H new ATOM 0 HB2 LYS A 60 -7.873 4.675 7.061 1.00 1.42 H new ATOM 0 HB3 LYS A 60 -8.304 6.373 7.019 1.00 1.42 H new ATOM 0 HG2 LYS A 60 -10.275 5.995 5.830 1.00 1.69 H new ATOM 0 HG3 LYS A 60 -9.612 4.634 4.947 1.00 1.69 H new ATOM 0 HD2 LYS A 60 -11.097 3.555 6.434 1.00 2.20 H new ATOM 0 HD3 LYS A 60 -9.579 3.423 7.298 1.00 2.20 H new ATOM 0 HE2 LYS A 60 -10.199 5.683 8.431 1.00 2.52 H new ATOM 0 HE3 LYS A 60 -11.805 5.459 7.766 1.00 2.52 H new ATOM 0 HZ1 LYS A 60 -11.646 4.540 10.000 1.00 3.39 H new ATOM 0 HZ2 LYS A 60 -11.936 3.297 8.880 1.00 3.39 H new ATOM 0 HZ3 LYS A 60 -10.380 3.514 9.524 1.00 3.39 H new ATOM 954 N LYS A 61 -6.444 7.903 5.544 1.00 1.13 N ATOM 955 CA LYS A 61 -6.305 9.366 5.243 1.00 1.19 C ATOM 956 C LYS A 61 -5.936 9.525 3.760 1.00 1.16 C ATOM 957 O LYS A 61 -6.324 10.476 3.113 1.00 1.32 O ATOM 958 CB LYS A 61 -5.203 9.963 6.153 1.00 1.28 C ATOM 959 CG LYS A 61 -4.675 11.304 5.607 1.00 1.26 C ATOM 960 CD LYS A 61 -5.817 12.322 5.526 1.00 2.81 C ATOM 961 CE LYS A 61 -5.631 13.200 4.285 1.00 4.06 C ATOM 962 NZ LYS A 61 -6.772 14.154 4.177 1.00 5.69 N ATOM 0 H LYS A 61 -5.849 7.562 6.299 1.00 1.13 H new ATOM 0 HA LYS A 61 -7.239 9.895 5.435 1.00 1.19 H new ATOM 0 HB2 LYS A 61 -5.601 10.111 7.157 1.00 1.28 H new ATOM 0 HB3 LYS A 61 -4.379 9.255 6.238 1.00 1.28 H new ATOM 0 HG2 LYS A 61 -3.884 11.683 6.254 1.00 1.26 H new ATOM 0 HG3 LYS A 61 -4.237 11.157 4.620 1.00 1.26 H new ATOM 0 HD2 LYS A 61 -6.776 11.806 5.479 1.00 2.81 H new ATOM 0 HD3 LYS A 61 -5.831 12.941 6.423 1.00 2.81 H new ATOM 0 HE2 LYS A 61 -4.690 13.747 4.351 1.00 4.06 H new ATOM 0 HE3 LYS A 61 -5.577 12.578 3.391 1.00 4.06 H new ATOM 0 HZ1 LYS A 61 -6.647 14.751 3.335 1.00 5.69 H new ATOM 0 HZ2 LYS A 61 -7.662 13.623 4.096 1.00 5.69 H new ATOM 0 HZ3 LYS A 61 -6.804 14.755 5.025 1.00 5.69 H new ATOM 976 N LEU A 62 -5.197 8.584 3.230 1.00 1.12 N ATOM 977 CA LEU A 62 -4.799 8.651 1.794 1.00 1.34 C ATOM 978 C LEU A 62 -6.084 8.605 0.929 1.00 1.62 C ATOM 979 O LEU A 62 -6.758 7.595 0.916 1.00 1.80 O ATOM 980 CB LEU A 62 -3.890 7.455 1.473 1.00 1.44 C ATOM 981 CG LEU A 62 -2.714 7.416 2.468 1.00 1.39 C ATOM 982 CD1 LEU A 62 -1.858 6.173 2.216 1.00 1.55 C ATOM 983 CD2 LEU A 62 -1.852 8.673 2.302 1.00 1.44 C ATOM 0 H LEU A 62 -4.851 7.768 3.735 1.00 1.12 H new ATOM 0 HA LEU A 62 -4.255 9.572 1.583 1.00 1.34 H new ATOM 0 HB2 LEU A 62 -4.459 6.527 1.531 1.00 1.44 H new ATOM 0 HB3 LEU A 62 -3.514 7.535 0.453 1.00 1.44 H new ATOM 0 HG LEU A 62 -3.110 7.380 3.483 1.00 1.39 H new ATOM 0 HD11 LEU A 62 -1.029 6.153 2.923 1.00 1.55 H new ATOM 0 HD12 LEU A 62 -2.468 5.279 2.346 1.00 1.55 H new ATOM 0 HD13 LEU A 62 -1.467 6.201 1.199 1.00 1.55 H new ATOM 0 HD21 LEU A 62 -1.022 8.641 3.008 1.00 1.44 H new ATOM 0 HD22 LEU A 62 -1.462 8.715 1.285 1.00 1.44 H new ATOM 0 HD23 LEU A 62 -2.458 9.558 2.495 1.00 1.44 H new ATOM 995 N PRO A 63 -6.426 9.703 0.258 1.00 1.84 N ATOM 996 CA PRO A 63 -7.663 9.756 -0.554 1.00 2.25 C ATOM 997 C PRO A 63 -7.604 8.785 -1.739 1.00 2.43 C ATOM 998 O PRO A 63 -8.374 7.847 -1.823 1.00 3.92 O ATOM 999 CB PRO A 63 -7.744 11.207 -1.060 1.00 2.59 C ATOM 1000 CG PRO A 63 -6.467 11.945 -0.591 1.00 2.38 C ATOM 1001 CD PRO A 63 -5.635 10.958 0.241 1.00 1.88 C ATOM 0 HA PRO A 63 -8.534 9.466 0.033 1.00 2.25 H new ATOM 0 HB2 PRO A 63 -7.820 11.229 -2.147 1.00 2.59 H new ATOM 0 HB3 PRO A 63 -8.635 11.699 -0.669 1.00 2.59 H new ATOM 0 HG2 PRO A 63 -5.894 12.300 -1.448 1.00 2.38 H new ATOM 0 HG3 PRO A 63 -6.728 12.821 0.003 1.00 2.38 H new ATOM 0 HD2 PRO A 63 -4.652 10.799 -0.203 1.00 1.88 H new ATOM 0 HD3 PRO A 63 -5.471 11.334 1.251 1.00 1.88 H new ATOM 1009 N GLY A 64 -6.714 9.023 -2.668 1.00 1.91 N ATOM 1010 CA GLY A 64 -6.608 8.142 -3.873 1.00 2.34 C ATOM 1011 C GLY A 64 -6.451 6.670 -3.473 1.00 2.07 C ATOM 1012 O GLY A 64 -6.730 5.782 -4.258 1.00 2.27 O ATOM 0 H GLY A 64 -6.050 9.797 -2.644 1.00 1.91 H new ATOM 0 HA2 GLY A 64 -7.497 8.260 -4.492 1.00 2.34 H new ATOM 0 HA3 GLY A 64 -5.755 8.450 -4.478 1.00 2.34 H new ATOM 1016 N VAL A 65 -5.995 6.401 -2.275 1.00 1.83 N ATOM 1017 CA VAL A 65 -5.809 4.979 -1.851 1.00 1.81 C ATOM 1018 C VAL A 65 -6.452 4.753 -0.481 1.00 1.60 C ATOM 1019 O VAL A 65 -5.996 5.266 0.522 1.00 2.17 O ATOM 1020 CB VAL A 65 -4.311 4.670 -1.775 1.00 2.24 C ATOM 1021 CG1 VAL A 65 -4.107 3.179 -1.503 1.00 2.13 C ATOM 1022 CG2 VAL A 65 -3.650 5.035 -3.107 1.00 2.95 C ATOM 0 H VAL A 65 -5.745 7.100 -1.576 1.00 1.83 H new ATOM 0 HA VAL A 65 -6.285 4.319 -2.577 1.00 1.81 H new ATOM 0 HB VAL A 65 -3.862 5.251 -0.969 1.00 2.24 H new ATOM 0 HG11 VAL A 65 -3.040 2.962 -1.449 1.00 2.13 H new ATOM 0 HG12 VAL A 65 -4.579 2.914 -0.557 1.00 2.13 H new ATOM 0 HG13 VAL A 65 -4.556 2.598 -2.308 1.00 2.13 H new ATOM 0 HG21 VAL A 65 -2.583 4.816 -3.056 1.00 2.95 H new ATOM 0 HG22 VAL A 65 -4.102 4.452 -3.909 1.00 2.95 H new ATOM 0 HG23 VAL A 65 -3.793 6.097 -3.305 1.00 2.95 H new ATOM 1032 N GLY A 66 -7.509 3.981 -0.438 1.00 1.51 N ATOM 1033 CA GLY A 66 -8.192 3.706 0.860 1.00 1.76 C ATOM 1034 C GLY A 66 -9.317 2.693 0.638 1.00 1.49 C ATOM 1035 O GLY A 66 -10.470 2.963 0.920 1.00 2.61 O ATOM 0 H GLY A 66 -7.929 3.528 -1.250 1.00 1.51 H new ATOM 0 HA2 GLY A 66 -7.476 3.318 1.585 1.00 1.76 H new ATOM 0 HA3 GLY A 66 -8.596 4.630 1.274 1.00 1.76 H new ATOM 1039 N THR A 67 -8.990 1.529 0.134 1.00 1.63 N ATOM 1040 CA THR A 67 -10.035 0.491 -0.111 1.00 2.01 C ATOM 1041 C THR A 67 -9.378 -0.891 -0.177 1.00 1.88 C ATOM 1042 O THR A 67 -8.980 -1.337 -1.235 1.00 3.32 O ATOM 1043 CB THR A 67 -10.739 0.781 -1.440 1.00 3.00 C ATOM 1044 OG1 THR A 67 -9.806 1.337 -2.356 1.00 3.91 O ATOM 1045 CG2 THR A 67 -11.883 1.770 -1.212 1.00 3.49 C ATOM 0 H THR A 67 -8.041 1.253 -0.119 1.00 1.63 H new ATOM 0 HA THR A 67 -10.762 0.510 0.701 1.00 2.01 H new ATOM 0 HB THR A 67 -11.142 -0.147 -1.847 1.00 3.00 H new ATOM 0 HG1 THR A 67 -10.254 1.522 -3.208 1.00 3.91 H new ATOM 0 HG21 THR A 67 -12.382 1.974 -2.159 1.00 3.49 H new ATOM 0 HG22 THR A 67 -12.599 1.343 -0.510 1.00 3.49 H new ATOM 0 HG23 THR A 67 -11.485 2.699 -0.804 1.00 3.49 H new ATOM 1053 N LYS A 68 -9.272 -1.563 0.955 1.00 1.12 N ATOM 1054 CA LYS A 68 -8.647 -2.937 1.028 1.00 1.16 C ATOM 1055 C LYS A 68 -7.119 -2.828 1.145 1.00 0.98 C ATOM 1056 O LYS A 68 -6.513 -3.485 1.971 1.00 1.14 O ATOM 1057 CB LYS A 68 -9.008 -3.793 -0.198 1.00 1.59 C ATOM 1058 CG LYS A 68 -8.833 -5.277 0.140 1.00 2.78 C ATOM 1059 CD LYS A 68 -10.190 -5.889 0.506 1.00 2.95 C ATOM 1060 CE LYS A 68 -10.765 -6.624 -0.707 1.00 3.32 C ATOM 1061 NZ LYS A 68 -10.072 -7.934 -0.868 1.00 4.72 N ATOM 0 H LYS A 68 -9.600 -1.208 1.853 1.00 1.12 H new ATOM 0 HA LYS A 68 -9.047 -3.426 1.916 1.00 1.16 H new ATOM 0 HB2 LYS A 68 -10.037 -3.598 -0.500 1.00 1.59 H new ATOM 0 HB3 LYS A 68 -8.372 -3.525 -1.041 1.00 1.59 H new ATOM 0 HG2 LYS A 68 -8.403 -5.805 -0.711 1.00 2.78 H new ATOM 0 HG3 LYS A 68 -8.136 -5.391 0.971 1.00 2.78 H new ATOM 0 HD2 LYS A 68 -10.076 -6.579 1.342 1.00 2.95 H new ATOM 0 HD3 LYS A 68 -10.877 -5.108 0.830 1.00 2.95 H new ATOM 0 HE2 LYS A 68 -11.836 -6.780 -0.577 1.00 3.32 H new ATOM 0 HE3 LYS A 68 -10.638 -6.020 -1.606 1.00 3.32 H new ATOM 0 HZ1 LYS A 68 -10.608 -8.531 -1.530 1.00 4.72 H new ATOM 0 HZ2 LYS A 68 -9.114 -7.777 -1.242 1.00 4.72 H new ATOM 0 HZ3 LYS A 68 -10.010 -8.409 0.055 1.00 4.72 H new ATOM 1075 N ILE A 69 -6.490 -2.015 0.332 1.00 0.81 N ATOM 1076 CA ILE A 69 -5.006 -1.877 0.403 1.00 0.70 C ATOM 1077 C ILE A 69 -4.624 -1.147 1.691 1.00 0.67 C ATOM 1078 O ILE A 69 -3.669 -1.505 2.356 1.00 0.68 O ATOM 1079 CB ILE A 69 -4.511 -1.078 -0.805 1.00 0.61 C ATOM 1080 CG1 ILE A 69 -5.026 -1.729 -2.097 1.00 0.74 C ATOM 1081 CG2 ILE A 69 -2.978 -1.042 -0.809 1.00 0.77 C ATOM 1082 CD1 ILE A 69 -4.484 -3.157 -2.234 1.00 2.58 C ATOM 0 H ILE A 69 -6.943 -1.441 -0.379 1.00 0.81 H new ATOM 0 HA ILE A 69 -4.547 -2.866 0.397 1.00 0.70 H new ATOM 0 HB ILE A 69 -4.888 -0.057 -0.744 1.00 0.61 H new ATOM 0 HG12 ILE A 69 -6.116 -1.747 -2.093 1.00 0.74 H new ATOM 0 HG13 ILE A 69 -4.720 -1.134 -2.958 1.00 0.74 H new ATOM 0 HG21 ILE A 69 -2.630 -0.472 -1.671 1.00 0.77 H new ATOM 0 HG22 ILE A 69 -2.623 -0.569 0.107 1.00 0.77 H new ATOM 0 HG23 ILE A 69 -2.590 -2.059 -0.866 1.00 0.77 H new ATOM 0 HD11 ILE A 69 -4.860 -3.602 -3.155 1.00 2.58 H new ATOM 0 HD12 ILE A 69 -3.395 -3.132 -2.261 1.00 2.58 H new ATOM 0 HD13 ILE A 69 -4.812 -3.754 -1.383 1.00 2.58 H new ATOM 1094 N ALA A 70 -5.366 -0.130 2.050 1.00 0.83 N ATOM 1095 CA ALA A 70 -5.056 0.627 3.300 1.00 1.01 C ATOM 1096 C ALA A 70 -5.145 -0.318 4.501 1.00 1.08 C ATOM 1097 O ALA A 70 -4.476 -0.129 5.500 1.00 1.21 O ATOM 1098 CB ALA A 70 -6.060 1.769 3.470 1.00 1.36 C ATOM 0 H ALA A 70 -6.175 0.209 1.530 1.00 0.83 H new ATOM 0 HA ALA A 70 -4.049 1.040 3.236 1.00 1.01 H new ATOM 0 HB1 ALA A 70 -5.833 2.320 4.382 1.00 1.36 H new ATOM 0 HB2 ALA A 70 -5.995 2.441 2.614 1.00 1.36 H new ATOM 0 HB3 ALA A 70 -7.068 1.360 3.535 1.00 1.36 H new ATOM 1104 N GLU A 71 -5.962 -1.338 4.406 1.00 1.13 N ATOM 1105 CA GLU A 71 -6.095 -2.306 5.534 1.00 1.38 C ATOM 1106 C GLU A 71 -4.770 -3.047 5.720 1.00 1.35 C ATOM 1107 O GLU A 71 -4.357 -3.324 6.829 1.00 1.59 O ATOM 1108 CB GLU A 71 -7.204 -3.311 5.218 1.00 1.48 C ATOM 1109 CG GLU A 71 -7.884 -3.746 6.518 1.00 1.91 C ATOM 1110 CD GLU A 71 -8.960 -2.728 6.897 1.00 3.29 C ATOM 1111 OE1 GLU A 71 -8.635 -1.786 7.601 1.00 4.60 O ATOM 1112 OE2 GLU A 71 -10.092 -2.908 6.479 1.00 3.73 O ATOM 0 H GLU A 71 -6.543 -1.541 3.593 1.00 1.13 H new ATOM 0 HA GLU A 71 -6.346 -1.770 6.449 1.00 1.38 H new ATOM 0 HB2 GLU A 71 -7.935 -2.863 4.545 1.00 1.48 H new ATOM 0 HB3 GLU A 71 -6.788 -4.178 4.705 1.00 1.48 H new ATOM 0 HG2 GLU A 71 -8.330 -4.733 6.395 1.00 1.91 H new ATOM 0 HG3 GLU A 71 -7.147 -3.826 7.317 1.00 1.91 H new ATOM 1119 N LYS A 72 -4.098 -3.362 4.638 1.00 1.17 N ATOM 1120 CA LYS A 72 -2.794 -4.079 4.745 1.00 1.33 C ATOM 1121 C LYS A 72 -1.780 -3.166 5.433 1.00 1.33 C ATOM 1122 O LYS A 72 -0.925 -3.616 6.172 1.00 1.55 O ATOM 1123 CB LYS A 72 -2.293 -4.444 3.345 1.00 1.33 C ATOM 1124 CG LYS A 72 -2.682 -5.890 3.023 1.00 1.64 C ATOM 1125 CD LYS A 72 -2.941 -6.031 1.521 1.00 1.51 C ATOM 1126 CE LYS A 72 -2.608 -7.457 1.072 1.00 1.79 C ATOM 1127 NZ LYS A 72 -3.631 -7.920 0.092 1.00 2.38 N ATOM 0 H LYS A 72 -4.399 -3.152 3.686 1.00 1.17 H new ATOM 0 HA LYS A 72 -2.921 -4.992 5.327 1.00 1.33 H new ATOM 0 HB2 LYS A 72 -2.722 -3.768 2.606 1.00 1.33 H new ATOM 0 HB3 LYS A 72 -1.211 -4.327 3.293 1.00 1.33 H new ATOM 0 HG2 LYS A 72 -1.886 -6.568 3.330 1.00 1.64 H new ATOM 0 HG3 LYS A 72 -3.574 -6.171 3.584 1.00 1.64 H new ATOM 0 HD2 LYS A 72 -3.984 -5.804 1.299 1.00 1.51 H new ATOM 0 HD3 LYS A 72 -2.334 -5.314 0.968 1.00 1.51 H new ATOM 0 HE2 LYS A 72 -1.617 -7.485 0.620 1.00 1.79 H new ATOM 0 HE3 LYS A 72 -2.585 -8.125 1.933 1.00 1.79 H new ATOM 0 HZ1 LYS A 72 -3.406 -8.888 -0.214 1.00 2.38 H new ATOM 0 HZ2 LYS A 72 -4.570 -7.907 0.539 1.00 2.38 H new ATOM 0 HZ3 LYS A 72 -3.632 -7.288 -0.734 1.00 2.38 H new ATOM 1141 N ILE A 73 -1.888 -1.880 5.210 1.00 1.15 N ATOM 1142 CA ILE A 73 -0.950 -0.917 5.862 1.00 1.18 C ATOM 1143 C ILE A 73 -1.182 -0.978 7.376 1.00 1.41 C ATOM 1144 O ILE A 73 -0.255 -0.914 8.166 1.00 1.61 O ATOM 1145 CB ILE A 73 -1.236 0.504 5.350 1.00 1.01 C ATOM 1146 CG1 ILE A 73 -1.249 0.526 3.810 1.00 0.97 C ATOM 1147 CG2 ILE A 73 -0.155 1.460 5.856 1.00 1.03 C ATOM 1148 CD1 ILE A 73 0.095 0.035 3.258 1.00 1.31 C ATOM 0 H ILE A 73 -2.588 -1.455 4.602 1.00 1.15 H new ATOM 0 HA ILE A 73 0.083 -1.174 5.628 1.00 1.18 H new ATOM 0 HB ILE A 73 -2.212 0.818 5.721 1.00 1.01 H new ATOM 0 HG12 ILE A 73 -2.055 -0.106 3.438 1.00 0.97 H new ATOM 0 HG13 ILE A 73 -1.447 1.538 3.456 1.00 0.97 H new ATOM 0 HG21 ILE A 73 -0.360 2.467 5.492 1.00 1.03 H new ATOM 0 HG22 ILE A 73 -0.152 1.462 6.946 1.00 1.03 H new ATOM 0 HG23 ILE A 73 0.819 1.134 5.491 1.00 1.03 H new ATOM 0 HD11 ILE A 73 0.070 0.056 2.168 1.00 1.31 H new ATOM 0 HD12 ILE A 73 0.894 0.684 3.616 1.00 1.31 H new ATOM 0 HD13 ILE A 73 0.277 -0.985 3.597 1.00 1.31 H new ATOM 1160 N ASP A 74 -2.421 -1.124 7.777 1.00 1.49 N ATOM 1161 CA ASP A 74 -2.741 -1.212 9.230 1.00 1.83 C ATOM 1162 C ASP A 74 -2.187 -2.529 9.777 1.00 2.04 C ATOM 1163 O ASP A 74 -1.775 -2.613 10.918 1.00 2.32 O ATOM 1164 CB ASP A 74 -4.258 -1.174 9.423 1.00 1.83 C ATOM 1165 CG ASP A 74 -4.589 -0.450 10.730 1.00 2.33 C ATOM 1166 OD1 ASP A 74 -4.189 -0.941 11.774 1.00 2.66 O ATOM 1167 OD2 ASP A 74 -5.236 0.582 10.666 1.00 3.33 O ATOM 0 H ASP A 74 -3.227 -1.186 7.155 1.00 1.49 H new ATOM 0 HA ASP A 74 -2.293 -0.372 9.761 1.00 1.83 H new ATOM 0 HB2 ASP A 74 -4.729 -0.664 8.583 1.00 1.83 H new ATOM 0 HB3 ASP A 74 -4.658 -2.188 9.445 1.00 1.83 H new ATOM 1172 N GLU A 75 -2.161 -3.558 8.960 1.00 1.97 N ATOM 1173 CA GLU A 75 -1.617 -4.874 9.415 1.00 2.24 C ATOM 1174 C GLU A 75 -0.156 -4.683 9.825 1.00 2.45 C ATOM 1175 O GLU A 75 0.334 -5.312 10.742 1.00 2.66 O ATOM 1176 CB GLU A 75 -1.703 -5.887 8.271 1.00 2.16 C ATOM 1177 CG GLU A 75 -1.976 -7.280 8.841 1.00 2.45 C ATOM 1178 CD GLU A 75 -0.653 -7.938 9.237 1.00 3.46 C ATOM 1179 OE1 GLU A 75 0.286 -7.848 8.463 1.00 3.97 O ATOM 1180 OE2 GLU A 75 -0.602 -8.522 10.308 1.00 4.79 O ATOM 0 H GLU A 75 -2.495 -3.540 7.996 1.00 1.97 H new ATOM 0 HA GLU A 75 -2.195 -5.245 10.261 1.00 2.24 H new ATOM 0 HB2 GLU A 75 -2.496 -5.604 7.579 1.00 2.16 H new ATOM 0 HB3 GLU A 75 -0.772 -5.891 7.704 1.00 2.16 H new ATOM 0 HG2 GLU A 75 -2.632 -7.207 9.708 1.00 2.45 H new ATOM 0 HG3 GLU A 75 -2.492 -7.892 8.101 1.00 2.45 H new ATOM 1187 N PHE A 76 0.530 -3.789 9.158 1.00 2.43 N ATOM 1188 CA PHE A 76 1.952 -3.507 9.501 1.00 2.66 C ATOM 1189 C PHE A 76 2.012 -2.958 10.918 1.00 2.78 C ATOM 1190 O PHE A 76 2.775 -3.413 11.749 1.00 2.95 O ATOM 1191 CB PHE A 76 2.504 -2.454 8.527 1.00 2.84 C ATOM 1192 CG PHE A 76 3.515 -3.087 7.603 1.00 2.70 C ATOM 1193 CD1 PHE A 76 3.091 -3.959 6.596 1.00 2.37 C ATOM 1194 CD2 PHE A 76 4.875 -2.797 7.755 1.00 4.32 C ATOM 1195 CE1 PHE A 76 4.029 -4.544 5.738 1.00 3.29 C ATOM 1196 CE2 PHE A 76 5.814 -3.381 6.898 1.00 5.36 C ATOM 1197 CZ PHE A 76 5.391 -4.255 5.889 1.00 4.76 C ATOM 0 H PHE A 76 0.159 -3.239 8.383 1.00 2.43 H new ATOM 0 HA PHE A 76 2.544 -4.419 9.429 1.00 2.66 H new ATOM 0 HB2 PHE A 76 1.689 -2.021 7.947 1.00 2.84 H new ATOM 0 HB3 PHE A 76 2.967 -1.639 9.083 1.00 2.84 H new ATOM 0 HD1 PHE A 76 2.040 -4.181 6.480 1.00 2.37 H new ATOM 0 HD2 PHE A 76 5.200 -2.123 8.534 1.00 4.32 H new ATOM 0 HE1 PHE A 76 3.703 -5.218 4.960 1.00 3.29 H new ATOM 0 HE2 PHE A 76 6.864 -3.158 7.015 1.00 5.36 H new ATOM 0 HZ PHE A 76 6.115 -4.706 5.227 1.00 4.76 H new ATOM 1207 N LEU A 77 1.217 -1.966 11.178 1.00 2.74 N ATOM 1208 CA LEU A 77 1.207 -1.332 12.523 1.00 2.92 C ATOM 1209 C LEU A 77 0.142 -1.983 13.416 1.00 2.91 C ATOM 1210 O LEU A 77 -0.286 -1.403 14.397 1.00 3.20 O ATOM 1211 CB LEU A 77 0.914 0.162 12.361 1.00 2.95 C ATOM 1212 CG LEU A 77 1.794 0.754 11.243 1.00 2.82 C ATOM 1213 CD1 LEU A 77 0.960 1.697 10.380 1.00 3.23 C ATOM 1214 CD2 LEU A 77 2.966 1.514 11.860 1.00 3.94 C ATOM 0 H LEU A 77 0.564 -1.560 10.508 1.00 2.74 H new ATOM 0 HA LEU A 77 2.179 -1.471 12.997 1.00 2.92 H new ATOM 0 HB2 LEU A 77 -0.139 0.311 12.123 1.00 2.95 H new ATOM 0 HB3 LEU A 77 1.105 0.682 13.300 1.00 2.95 H new ATOM 0 HG LEU A 77 2.180 -0.053 10.620 1.00 2.82 H new ATOM 0 HD11 LEU A 77 1.584 2.115 9.590 1.00 3.23 H new ATOM 0 HD12 LEU A 77 0.132 1.146 9.935 1.00 3.23 H new ATOM 0 HD13 LEU A 77 0.568 2.505 10.998 1.00 3.23 H new ATOM 0 HD21 LEU A 77 3.587 1.932 11.067 1.00 3.94 H new ATOM 0 HD22 LEU A 77 2.587 2.321 12.487 1.00 3.94 H new ATOM 0 HD23 LEU A 77 3.562 0.833 12.467 1.00 3.94 H new ATOM 1226 N ALA A 78 -0.293 -3.178 13.088 1.00 2.69 N ATOM 1227 CA ALA A 78 -1.331 -3.856 13.919 1.00 2.73 C ATOM 1228 C ALA A 78 -0.654 -4.679 15.017 1.00 3.03 C ATOM 1229 O ALA A 78 -1.132 -4.749 16.134 1.00 3.41 O ATOM 1230 CB ALA A 78 -2.169 -4.779 13.033 1.00 2.47 C ATOM 0 H ALA A 78 0.028 -3.710 12.280 1.00 2.69 H new ATOM 0 HA ALA A 78 -1.976 -3.105 14.376 1.00 2.73 H new ATOM 0 HB1 ALA A 78 -2.927 -5.275 13.639 1.00 2.47 H new ATOM 0 HB2 ALA A 78 -2.654 -4.192 12.253 1.00 2.47 H new ATOM 0 HB3 ALA A 78 -1.523 -5.528 12.575 1.00 2.47 H new ATOM 1236 N THR A 79 0.453 -5.305 14.707 1.00 3.01 N ATOM 1237 CA THR A 79 1.165 -6.129 15.728 1.00 3.38 C ATOM 1238 C THR A 79 2.646 -5.743 15.759 1.00 3.63 C ATOM 1239 O THR A 79 3.201 -5.463 16.805 1.00 4.72 O ATOM 1240 CB THR A 79 1.032 -7.611 15.370 1.00 3.37 C ATOM 1241 OG1 THR A 79 -0.338 -7.927 15.171 1.00 4.35 O ATOM 1242 CG2 THR A 79 1.598 -8.465 16.505 1.00 3.84 C ATOM 0 H THR A 79 0.895 -5.280 13.788 1.00 3.01 H new ATOM 0 HA THR A 79 0.724 -5.950 16.709 1.00 3.38 H new ATOM 0 HB THR A 79 1.588 -7.816 14.455 1.00 3.37 H new ATOM 0 HG1 THR A 79 -0.425 -8.875 14.940 1.00 4.35 H new ATOM 0 HG21 THR A 79 1.503 -9.520 16.249 1.00 3.84 H new ATOM 0 HG22 THR A 79 2.650 -8.221 16.654 1.00 3.84 H new ATOM 0 HG23 THR A 79 1.045 -8.263 17.423 1.00 3.84 H new ATOM 1250 N GLY A 80 3.288 -5.732 14.618 1.00 3.28 N ATOM 1251 CA GLY A 80 4.736 -5.370 14.570 1.00 4.08 C ATOM 1252 C GLY A 80 5.518 -6.495 13.888 1.00 4.45 C ATOM 1253 O GLY A 80 6.428 -6.251 13.119 1.00 5.31 O ATOM 0 H GLY A 80 2.870 -5.959 13.716 1.00 3.28 H new ATOM 0 HA2 GLY A 80 4.871 -4.436 14.025 1.00 4.08 H new ATOM 0 HA3 GLY A 80 5.115 -5.208 15.579 1.00 4.08 H new ATOM 1257 N LYS A 81 5.165 -7.725 14.166 1.00 4.65 N ATOM 1258 CA LYS A 81 5.880 -8.875 13.540 1.00 6.05 C ATOM 1259 C LYS A 81 4.939 -9.583 12.560 1.00 6.81 C ATOM 1260 O LYS A 81 3.816 -9.910 12.894 1.00 7.05 O ATOM 1261 CB LYS A 81 6.316 -9.858 14.628 1.00 6.91 C ATOM 1262 CG LYS A 81 7.751 -9.546 15.055 1.00 7.67 C ATOM 1263 CD LYS A 81 7.736 -8.516 16.187 1.00 8.12 C ATOM 1264 CE LYS A 81 9.158 -8.013 16.438 1.00 9.23 C ATOM 1265 NZ LYS A 81 10.010 -9.144 16.902 1.00 10.43 N ATOM 0 H LYS A 81 4.410 -7.981 14.802 1.00 4.65 H new ATOM 0 HA LYS A 81 6.758 -8.512 13.006 1.00 6.05 H new ATOM 0 HB2 LYS A 81 5.647 -9.787 15.486 1.00 6.91 H new ATOM 0 HB3 LYS A 81 6.251 -10.880 14.256 1.00 6.91 H new ATOM 0 HG2 LYS A 81 8.249 -10.457 15.385 1.00 7.67 H new ATOM 0 HG3 LYS A 81 8.318 -9.162 14.207 1.00 7.67 H new ATOM 0 HD2 LYS A 81 7.085 -7.682 15.925 1.00 8.12 H new ATOM 0 HD3 LYS A 81 7.332 -8.964 17.095 1.00 8.12 H new ATOM 0 HE2 LYS A 81 9.570 -7.584 15.525 1.00 9.23 H new ATOM 0 HE3 LYS A 81 9.148 -7.220 17.186 1.00 9.23 H new ATOM 0 HZ1 LYS A 81 10.918 -8.775 17.249 1.00 10.43 H new ATOM 0 HZ2 LYS A 81 9.526 -9.651 17.670 1.00 10.43 H new ATOM 0 HZ3 LYS A 81 10.181 -9.797 16.111 1.00 10.43 H new ATOM 1279 N LEU A 82 5.392 -9.819 11.354 1.00 7.76 N ATOM 1280 CA LEU A 82 4.530 -10.507 10.346 1.00 9.04 C ATOM 1281 C LEU A 82 5.402 -11.373 9.430 1.00 10.37 C ATOM 1282 O LEU A 82 5.581 -11.078 8.262 1.00 11.34 O ATOM 1283 CB LEU A 82 3.778 -9.462 9.512 1.00 9.87 C ATOM 1284 CG LEU A 82 4.765 -8.427 8.967 1.00 10.22 C ATOM 1285 CD1 LEU A 82 4.213 -7.826 7.673 1.00 11.57 C ATOM 1286 CD2 LEU A 82 4.957 -7.317 10.002 1.00 10.06 C ATOM 0 H LEU A 82 6.323 -9.564 11.024 1.00 7.76 H new ATOM 0 HA LEU A 82 3.808 -11.142 10.860 1.00 9.04 H new ATOM 0 HB2 LEU A 82 3.255 -9.948 8.689 1.00 9.87 H new ATOM 0 HB3 LEU A 82 3.022 -8.970 10.124 1.00 9.87 H new ATOM 0 HG LEU A 82 5.722 -8.908 8.764 1.00 10.22 H new ATOM 0 HD11 LEU A 82 4.916 -7.089 7.285 1.00 11.57 H new ATOM 0 HD12 LEU A 82 4.072 -8.616 6.936 1.00 11.57 H new ATOM 0 HD13 LEU A 82 3.257 -7.344 7.875 1.00 11.57 H new ATOM 0 HD21 LEU A 82 5.660 -6.578 9.617 1.00 10.06 H new ATOM 0 HD22 LEU A 82 3.999 -6.837 10.203 1.00 10.06 H new ATOM 0 HD23 LEU A 82 5.349 -7.744 10.925 1.00 10.06 H new ATOM 1298 N ARG A 83 5.947 -12.440 9.956 1.00 10.74 N ATOM 1299 CA ARG A 83 6.811 -13.334 9.128 1.00 12.31 C ATOM 1300 C ARG A 83 6.431 -14.794 9.383 1.00 13.07 C ATOM 1301 O ARG A 83 7.013 -15.458 10.221 1.00 13.02 O ATOM 1302 CB ARG A 83 8.283 -13.115 9.495 1.00 12.67 C ATOM 1303 CG ARG A 83 8.460 -13.185 11.018 1.00 12.21 C ATOM 1304 CD ARG A 83 8.565 -11.771 11.602 1.00 12.29 C ATOM 1305 NE ARG A 83 9.917 -11.579 12.232 1.00 13.03 N ATOM 1306 CZ ARG A 83 10.399 -12.413 13.131 1.00 13.43 C ATOM 1307 NH1 ARG A 83 9.649 -13.340 13.678 1.00 13.14 N ATOM 1308 NH2 ARG A 83 11.634 -12.273 13.531 1.00 14.47 N ATOM 0 H ARG A 83 5.830 -12.731 10.927 1.00 10.74 H new ATOM 0 HA ARG A 83 6.664 -13.100 8.074 1.00 12.31 H new ATOM 0 HB2 ARG A 83 8.903 -13.871 9.013 1.00 12.67 H new ATOM 0 HB3 ARG A 83 8.618 -12.146 9.126 1.00 12.67 H new ATOM 0 HG2 ARG A 83 7.617 -13.710 11.466 1.00 12.21 H new ATOM 0 HG3 ARG A 83 9.356 -13.755 11.262 1.00 12.21 H new ATOM 0 HD2 ARG A 83 8.411 -11.031 10.817 1.00 12.29 H new ATOM 0 HD3 ARG A 83 7.782 -11.615 12.344 1.00 12.29 H new ATOM 0 HE ARG A 83 10.480 -10.775 11.954 1.00 13.03 H new ATOM 0 HH11 ARG A 83 8.669 -13.427 13.409 1.00 13.14 H new ATOM 0 HH12 ARG A 83 10.046 -13.974 14.372 1.00 13.14 H new ATOM 0 HH21 ARG A 83 12.212 -11.525 13.148 1.00 14.47 H new ATOM 0 HH22 ARG A 83 12.020 -12.911 14.226 1.00 14.47 H new ATOM 1322 N LYS A 84 5.458 -15.297 8.665 1.00 14.10 N ATOM 1323 CA LYS A 84 5.033 -16.714 8.858 1.00 15.17 C ATOM 1324 C LYS A 84 5.850 -17.625 7.940 1.00 16.58 C ATOM 1325 O LYS A 84 5.543 -17.779 6.773 1.00 17.70 O ATOM 1326 CB LYS A 84 3.547 -16.848 8.520 1.00 15.83 C ATOM 1327 CG LYS A 84 2.714 -16.131 9.583 1.00 15.59 C ATOM 1328 CD LYS A 84 2.472 -17.074 10.764 1.00 15.96 C ATOM 1329 CE LYS A 84 1.929 -16.278 11.951 1.00 15.87 C ATOM 1330 NZ LYS A 84 1.045 -17.152 12.774 1.00 16.43 N ATOM 0 H LYS A 84 4.939 -14.784 7.952 1.00 14.10 H new ATOM 0 HA LYS A 84 5.199 -17.005 9.895 1.00 15.17 H new ATOM 0 HB2 LYS A 84 3.347 -16.421 7.537 1.00 15.83 H new ATOM 0 HB3 LYS A 84 3.268 -17.901 8.473 1.00 15.83 H new ATOM 0 HG2 LYS A 84 3.231 -15.233 9.921 1.00 15.59 H new ATOM 0 HG3 LYS A 84 1.762 -15.810 9.159 1.00 15.59 H new ATOM 0 HD2 LYS A 84 1.764 -17.853 10.481 1.00 15.96 H new ATOM 0 HD3 LYS A 84 3.401 -17.572 11.041 1.00 15.96 H new ATOM 0 HE2 LYS A 84 2.753 -15.902 12.558 1.00 15.87 H new ATOM 0 HE3 LYS A 84 1.372 -15.411 11.597 1.00 15.87 H new ATOM 0 HZ1 LYS A 84 0.676 -16.610 13.581 1.00 16.43 H new ATOM 0 HZ2 LYS A 84 0.252 -17.490 12.192 1.00 16.43 H new ATOM 0 HZ3 LYS A 84 1.590 -17.966 13.123 1.00 16.43 H new ATOM 1344 N LEU A 85 6.884 -18.231 8.463 1.00 16.79 N ATOM 1345 CA LEU A 85 7.728 -19.140 7.631 1.00 18.36 C ATOM 1346 C LEU A 85 7.554 -20.585 8.109 1.00 19.20 C ATOM 1347 O LEU A 85 7.718 -21.520 7.347 1.00 20.19 O ATOM 1348 CB LEU A 85 9.200 -18.734 7.752 1.00 18.52 C ATOM 1349 CG LEU A 85 9.590 -18.628 9.229 1.00 17.84 C ATOM 1350 CD1 LEU A 85 11.047 -19.062 9.405 1.00 18.63 C ATOM 1351 CD2 LEU A 85 9.432 -17.179 9.696 1.00 17.24 C ATOM 0 H LEU A 85 7.181 -18.135 9.434 1.00 16.79 H new ATOM 0 HA LEU A 85 7.418 -19.063 6.589 1.00 18.36 H new ATOM 0 HB2 LEU A 85 9.831 -19.468 7.252 1.00 18.52 H new ATOM 0 HB3 LEU A 85 9.365 -17.779 7.253 1.00 18.52 H new ATOM 0 HG LEU A 85 8.943 -19.275 9.822 1.00 17.84 H new ATOM 0 HD11 LEU A 85 11.325 -18.987 10.456 1.00 18.63 H new ATOM 0 HD12 LEU A 85 11.162 -20.094 9.072 1.00 18.63 H new ATOM 0 HD13 LEU A 85 11.693 -18.415 8.812 1.00 18.63 H new ATOM 0 HD21 LEU A 85 9.710 -17.103 10.747 1.00 17.24 H new ATOM 0 HD22 LEU A 85 10.079 -16.533 9.102 1.00 17.24 H new ATOM 0 HD23 LEU A 85 8.395 -16.868 9.571 1.00 17.24 H new ATOM 1363 N GLU A 86 7.221 -20.774 9.363 1.00 19.05 N ATOM 1364 CA GLU A 86 7.034 -22.157 9.893 1.00 20.09 C ATOM 1365 C GLU A 86 5.565 -22.363 10.269 1.00 20.20 C ATOM 1366 O GLU A 86 5.074 -21.791 11.223 1.00 19.63 O ATOM 1367 CB GLU A 86 7.909 -22.350 11.133 1.00 20.27 C ATOM 1368 CG GLU A 86 9.340 -22.677 10.703 1.00 21.35 C ATOM 1369 CD GLU A 86 9.367 -24.043 10.016 1.00 22.70 C ATOM 1370 OE1 GLU A 86 9.416 -25.037 10.721 1.00 23.15 O ATOM 1371 OE2 GLU A 86 9.338 -24.073 8.796 1.00 23.42 O ATOM 0 H GLU A 86 7.071 -20.028 10.042 1.00 19.05 H new ATOM 0 HA GLU A 86 7.320 -22.881 9.130 1.00 20.09 H new ATOM 0 HB2 GLU A 86 7.899 -21.446 11.742 1.00 20.27 H new ATOM 0 HB3 GLU A 86 7.511 -23.155 11.750 1.00 20.27 H new ATOM 0 HG2 GLU A 86 9.711 -21.909 10.024 1.00 21.35 H new ATOM 0 HG3 GLU A 86 10.000 -22.681 11.571 1.00 21.35 H new ATOM 1378 N LYS A 87 4.862 -23.178 9.523 1.00 21.16 N ATOM 1379 CA LYS A 87 3.424 -23.429 9.829 1.00 21.63 C ATOM 1380 C LYS A 87 3.007 -24.782 9.249 1.00 23.00 C ATOM 1381 O LYS A 87 1.963 -25.277 9.642 1.00 23.57 O ATOM 1382 CB LYS A 87 2.571 -22.321 9.206 1.00 21.50 C ATOM 1383 CG LYS A 87 2.886 -22.211 7.712 1.00 22.18 C ATOM 1384 CD LYS A 87 1.650 -21.703 6.966 1.00 22.76 C ATOM 1385 CE LYS A 87 0.737 -22.882 6.630 1.00 23.90 C ATOM 1386 NZ LYS A 87 -0.659 -22.392 6.450 1.00 24.51 N ATOM 1387 OXT LYS A 87 3.739 -25.300 8.422 1.00 23.62 O ATOM 0 H LYS A 87 5.225 -23.681 8.713 1.00 21.16 H new ATOM 0 HA LYS A 87 3.278 -23.437 10.909 1.00 21.63 H new ATOM 0 HB2 LYS A 87 1.513 -22.538 9.350 1.00 21.50 H new ATOM 0 HB3 LYS A 87 2.772 -21.371 9.701 1.00 21.50 H new ATOM 0 HG2 LYS A 87 3.724 -21.531 7.555 1.00 22.18 H new ATOM 0 HG3 LYS A 87 3.187 -23.183 7.320 1.00 22.18 H new ATOM 0 HD2 LYS A 87 1.115 -20.978 7.579 1.00 22.76 H new ATOM 0 HD3 LYS A 87 1.949 -21.189 6.052 1.00 22.76 H new ATOM 0 HE2 LYS A 87 1.081 -23.375 5.721 1.00 23.90 H new ATOM 0 HE3 LYS A 87 0.774 -23.624 7.428 1.00 23.90 H new ATOM 0 HZ1 LYS A 87 -1.281 -23.193 6.221 1.00 24.51 H new ATOM 0 HZ2 LYS A 87 -0.984 -21.941 7.329 1.00 24.51 H new ATOM 0 HZ3 LYS A 87 -0.687 -21.700 5.674 1.00 24.51 H new TER 1401 LYS A 87