USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 472 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 176:sc= 1.01 (180deg=0.775) USER MOD Single : A 9 ASN : amide:sc= -0.0758 X(o=-0.076,f=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0.155 K(o=0.16,f=-6.6!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= -0.0867 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -166:sc= -2.26! (180deg=-2.94!) USER MOD Single : A 26 SER OG : rot -68:sc= 1.08 USER MOD Single : A 27 SER OG : rot 86:sc= 1.06 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.45 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.905! USER MOD Single : A 46 ASN : amide:sc= -0.418 K(o=-0.42,f=-6.5!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.0078) USER MOD Single : A 60 HIS : no HD1:sc= -0.564 K(o=-0.56,f=-0.00081) USER MOD Single : A 61 HIS : no HD1:sc= -2.58! C(o=-2.6!,f=-2.7!) USER MOD Single : A 62 HIS : no HD1:sc= -0.0842 X(o=-0.084,f=-0.53) USER MOD Single : A 63 HIS : no HD1:sc= -0.0988 X(o=-0.099,f=-0.011) USER MOD Single : A 64 HIS : no HD1:sc= -0.4 X(o=-0.4,f=-0.098) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 81.757 -5.116 -15.215 1.00 1.00 N ATOM 2 CA MET A 1 80.824 -5.730 -16.201 1.00 1.00 C ATOM 3 C MET A 1 79.403 -5.685 -15.648 1.00 1.00 C ATOM 4 O MET A 1 78.880 -6.689 -15.165 1.00 1.00 O ATOM 5 CB MET A 1 81.241 -7.180 -16.463 1.00 1.00 C ATOM 6 CG MET A 1 82.014 -7.721 -15.259 1.00 1.00 C ATOM 7 SD MET A 1 81.049 -7.460 -13.751 1.00 1.00 S ATOM 8 CE MET A 1 80.230 -9.073 -13.722 1.00 1.00 C ATOM 0 H1 MET A 1 82.734 -5.206 -15.559 1.00 1.00 H new ATOM 0 H2 MET A 1 81.523 -4.110 -15.096 1.00 1.00 H new ATOM 0 H3 MET A 1 81.666 -5.603 -14.301 1.00 1.00 H new ATOM 0 HA MET A 1 80.860 -5.175 -17.138 1.00 1.00 H new ATOM 0 HB2 MET A 1 80.360 -7.794 -16.647 1.00 1.00 H new ATOM 0 HB3 MET A 1 81.860 -7.234 -17.359 1.00 1.00 H new ATOM 0 HG2 MET A 1 82.218 -8.783 -15.393 1.00 1.00 H new ATOM 0 HG3 MET A 1 82.978 -7.219 -15.177 1.00 1.00 H new ATOM 0 HE1 MET A 1 79.572 -9.131 -12.855 1.00 1.00 H new ATOM 0 HE2 MET A 1 79.643 -9.200 -14.632 1.00 1.00 H new ATOM 0 HE3 MET A 1 80.981 -9.861 -13.662 1.00 1.00 H new ATOM 20 N GLU A 2 78.781 -4.512 -15.724 1.00 1.00 N ATOM 21 CA GLU A 2 77.420 -4.347 -15.230 1.00 1.00 C ATOM 22 C GLU A 2 76.430 -5.085 -16.125 1.00 1.00 C ATOM 23 O GLU A 2 76.210 -4.700 -17.273 1.00 1.00 O ATOM 24 CB GLU A 2 77.058 -2.861 -15.182 1.00 1.00 C ATOM 25 CG GLU A 2 78.146 -2.093 -14.430 1.00 1.00 C ATOM 26 CD GLU A 2 78.224 -2.579 -12.986 1.00 1.00 C ATOM 27 OE1 GLU A 2 78.847 -3.603 -12.759 1.00 1.00 O ATOM 28 OE2 GLU A 2 77.659 -1.920 -12.130 1.00 1.00 O ATOM 0 H GLU A 2 79.195 -3.668 -16.120 1.00 1.00 H new ATOM 0 HA GLU A 2 77.366 -4.767 -14.226 1.00 1.00 H new ATOM 0 HB2 GLU A 2 76.955 -2.469 -16.194 1.00 1.00 H new ATOM 0 HB3 GLU A 2 76.096 -2.726 -14.688 1.00 1.00 H new ATOM 0 HG2 GLU A 2 79.108 -2.234 -14.922 1.00 1.00 H new ATOM 0 HG3 GLU A 2 77.930 -1.025 -14.452 1.00 1.00 H new ATOM 35 N GLU A 3 75.836 -6.149 -15.592 1.00 1.00 N ATOM 36 CA GLU A 3 74.872 -6.934 -16.352 1.00 1.00 C ATOM 37 C GLU A 3 73.931 -6.019 -17.131 1.00 1.00 C ATOM 38 O GLU A 3 73.612 -6.283 -18.290 1.00 1.00 O ATOM 39 CB GLU A 3 74.058 -7.820 -15.407 1.00 1.00 C ATOM 40 CG GLU A 3 75.002 -8.736 -14.627 1.00 1.00 C ATOM 41 CD GLU A 3 74.963 -8.384 -13.143 1.00 1.00 C ATOM 42 OE1 GLU A 3 74.121 -8.929 -12.447 1.00 1.00 O ATOM 43 OE2 GLU A 3 75.774 -7.576 -12.724 1.00 1.00 O ATOM 0 H GLU A 3 76.004 -6.485 -14.644 1.00 1.00 H new ATOM 0 HA GLU A 3 75.418 -7.561 -17.057 1.00 1.00 H new ATOM 0 HB2 GLU A 3 73.482 -7.202 -14.718 1.00 1.00 H new ATOM 0 HB3 GLU A 3 73.343 -8.415 -15.975 1.00 1.00 H new ATOM 0 HG2 GLU A 3 74.712 -9.777 -14.770 1.00 1.00 H new ATOM 0 HG3 GLU A 3 76.018 -8.633 -15.007 1.00 1.00 H new ATOM 50 N GLY A 4 73.491 -4.944 -16.486 1.00 1.00 N ATOM 51 CA GLY A 4 72.587 -3.997 -17.128 1.00 1.00 C ATOM 52 C GLY A 4 71.497 -3.544 -16.163 1.00 1.00 C ATOM 53 O GLY A 4 71.613 -2.495 -15.530 1.00 1.00 O ATOM 0 H GLY A 4 73.743 -4.708 -15.526 1.00 1.00 H new ATOM 0 HA2 GLY A 4 73.150 -3.132 -17.479 1.00 1.00 H new ATOM 0 HA3 GLY A 4 72.133 -4.459 -18.005 1.00 1.00 H new ATOM 57 N GLY A 5 70.439 -4.341 -16.057 1.00 1.00 N ATOM 58 CA GLY A 5 69.334 -4.012 -15.165 1.00 1.00 C ATOM 59 C GLY A 5 68.165 -4.970 -15.368 1.00 1.00 C ATOM 60 O GLY A 5 67.725 -5.636 -14.430 1.00 1.00 O ATOM 0 H GLY A 5 70.324 -5.213 -16.574 1.00 1.00 H new ATOM 0 HA2 GLY A 5 69.671 -4.058 -14.130 1.00 1.00 H new ATOM 0 HA3 GLY A 5 69.006 -2.989 -15.348 1.00 1.00 H new ATOM 64 N ASP A 6 67.668 -5.036 -16.599 1.00 1.00 N ATOM 65 CA ASP A 6 66.549 -5.918 -16.914 1.00 1.00 C ATOM 66 C ASP A 6 65.269 -5.414 -16.255 1.00 1.00 C ATOM 67 O ASP A 6 64.279 -6.141 -16.164 1.00 1.00 O ATOM 68 CB ASP A 6 66.851 -7.337 -16.431 1.00 1.00 C ATOM 69 CG ASP A 6 66.313 -8.354 -17.432 1.00 1.00 C ATOM 70 OD1 ASP A 6 65.107 -8.411 -17.599 1.00 1.00 O ATOM 71 OD2 ASP A 6 67.117 -9.060 -18.018 1.00 1.00 O ATOM 0 H ASP A 6 68.019 -4.494 -17.389 1.00 1.00 H new ATOM 0 HA ASP A 6 66.409 -5.926 -17.995 1.00 1.00 H new ATOM 0 HB2 ASP A 6 67.926 -7.468 -16.310 1.00 1.00 H new ATOM 0 HB3 ASP A 6 66.398 -7.502 -15.454 1.00 1.00 H new ATOM 76 N PHE A 7 65.295 -4.168 -15.797 1.00 1.00 N ATOM 77 CA PHE A 7 64.130 -3.579 -15.148 1.00 1.00 C ATOM 78 C PHE A 7 63.813 -4.311 -13.847 1.00 1.00 C ATOM 79 O PHE A 7 62.653 -4.595 -13.551 1.00 1.00 O ATOM 80 CB PHE A 7 62.921 -3.647 -16.082 1.00 1.00 C ATOM 81 CG PHE A 7 62.013 -2.468 -15.820 1.00 1.00 C ATOM 82 CD1 PHE A 7 62.281 -1.232 -16.420 1.00 1.00 C ATOM 83 CD2 PHE A 7 60.905 -2.612 -14.976 1.00 1.00 C ATOM 84 CE1 PHE A 7 61.440 -0.139 -16.177 1.00 1.00 C ATOM 85 CE2 PHE A 7 60.064 -1.519 -14.733 1.00 1.00 C ATOM 86 CZ PHE A 7 60.331 -0.283 -15.334 1.00 1.00 C ATOM 0 H PHE A 7 66.104 -3.550 -15.862 1.00 1.00 H new ATOM 0 HA PHE A 7 64.354 -2.537 -14.920 1.00 1.00 H new ATOM 0 HB2 PHE A 7 63.250 -3.642 -17.121 1.00 1.00 H new ATOM 0 HB3 PHE A 7 62.379 -4.579 -15.924 1.00 1.00 H new ATOM 0 HD1 PHE A 7 63.136 -1.121 -17.070 1.00 1.00 H new ATOM 0 HD2 PHE A 7 60.699 -3.566 -14.513 1.00 1.00 H new ATOM 0 HE1 PHE A 7 61.647 0.815 -16.640 1.00 1.00 H new ATOM 0 HE2 PHE A 7 59.209 -1.629 -14.082 1.00 1.00 H new ATOM 0 HZ PHE A 7 59.682 0.560 -15.147 1.00 1.00 H new ATOM 96 N ASP A 8 64.852 -4.613 -13.076 1.00 1.00 N ATOM 97 CA ASP A 8 64.673 -5.313 -11.810 1.00 1.00 C ATOM 98 C ASP A 8 65.818 -4.995 -10.855 1.00 1.00 C ATOM 99 O ASP A 8 66.509 -5.896 -10.378 1.00 1.00 O ATOM 100 CB ASP A 8 64.610 -6.823 -12.052 1.00 1.00 C ATOM 101 CG ASP A 8 63.878 -7.504 -10.900 1.00 1.00 C ATOM 102 OD1 ASP A 8 62.780 -7.077 -10.587 1.00 1.00 O ATOM 103 OD2 ASP A 8 64.427 -8.445 -10.349 1.00 1.00 O ATOM 0 H ASP A 8 65.820 -4.386 -13.303 1.00 1.00 H new ATOM 0 HA ASP A 8 63.738 -4.979 -11.361 1.00 1.00 H new ATOM 0 HB2 ASP A 8 64.097 -7.028 -12.992 1.00 1.00 H new ATOM 0 HB3 ASP A 8 65.618 -7.228 -12.144 1.00 1.00 H new ATOM 108 N ASN A 9 66.015 -3.709 -10.580 1.00 1.00 N ATOM 109 CA ASN A 9 67.080 -3.285 -9.680 1.00 1.00 C ATOM 110 C ASN A 9 66.789 -1.896 -9.122 1.00 1.00 C ATOM 111 O ASN A 9 66.657 -0.929 -9.873 1.00 1.00 O ATOM 112 CB ASN A 9 68.416 -3.268 -10.425 1.00 1.00 C ATOM 113 CG ASN A 9 69.412 -2.378 -9.688 1.00 1.00 C ATOM 114 OD1 ASN A 9 70.035 -2.812 -8.719 1.00 1.00 O ATOM 115 ND2 ASN A 9 69.601 -1.152 -10.093 1.00 1.00 N ATOM 0 H ASN A 9 65.455 -2.948 -10.965 1.00 1.00 H new ATOM 0 HA ASN A 9 67.134 -3.992 -8.852 1.00 1.00 H new ATOM 0 HB2 ASN A 9 68.810 -4.281 -10.505 1.00 1.00 H new ATOM 0 HB3 ASN A 9 68.271 -2.902 -11.441 1.00 1.00 H new ATOM 0 HD21 ASN A 9 70.266 -0.551 -9.606 1.00 1.00 H new ATOM 0 HD22 ASN A 9 69.084 -0.795 -10.896 1.00 1.00 H new ATOM 122 N TYR A 10 66.689 -1.804 -7.800 1.00 1.00 N ATOM 123 CA TYR A 10 66.413 -0.527 -7.151 1.00 1.00 C ATOM 124 C TYR A 10 65.288 0.209 -7.871 1.00 1.00 C ATOM 125 O TYR A 10 65.110 1.415 -7.695 1.00 1.00 O ATOM 126 CB TYR A 10 67.673 0.340 -7.149 1.00 1.00 C ATOM 127 CG TYR A 10 67.610 1.318 -6.000 1.00 1.00 C ATOM 128 CD1 TYR A 10 67.819 0.872 -4.690 1.00 1.00 C ATOM 129 CD2 TYR A 10 67.342 2.669 -6.246 1.00 1.00 C ATOM 130 CE1 TYR A 10 67.760 1.779 -3.625 1.00 1.00 C ATOM 131 CE2 TYR A 10 67.284 3.576 -5.181 1.00 1.00 C ATOM 132 CZ TYR A 10 67.493 3.131 -3.870 1.00 1.00 C ATOM 133 OH TYR A 10 67.436 4.024 -2.820 1.00 1.00 O ATOM 0 H TYR A 10 66.794 -2.592 -7.161 1.00 1.00 H new ATOM 0 HA TYR A 10 66.104 -0.722 -6.124 1.00 1.00 H new ATOM 0 HB2 TYR A 10 68.559 -0.288 -7.058 1.00 1.00 H new ATOM 0 HB3 TYR A 10 67.759 0.877 -8.093 1.00 1.00 H new ATOM 0 HD1 TYR A 10 68.026 -0.171 -4.501 1.00 1.00 H new ATOM 0 HD2 TYR A 10 67.180 3.012 -7.257 1.00 1.00 H new ATOM 0 HE1 TYR A 10 67.921 1.435 -2.614 1.00 1.00 H new ATOM 0 HE2 TYR A 10 67.078 4.619 -5.371 1.00 1.00 H new ATOM 0 HH TYR A 10 67.242 4.921 -3.164 1.00 1.00 H new ATOM 143 N TYR A 11 64.530 -0.525 -8.681 1.00 1.00 N ATOM 144 CA TYR A 11 63.423 0.068 -9.424 1.00 1.00 C ATOM 145 C TYR A 11 62.091 -0.293 -8.775 1.00 1.00 C ATOM 146 O TYR A 11 61.498 -1.327 -9.084 1.00 1.00 O ATOM 147 CB TYR A 11 63.440 -0.428 -10.872 1.00 1.00 C ATOM 148 CG TYR A 11 63.911 0.683 -11.780 1.00 1.00 C ATOM 149 CD1 TYR A 11 65.105 1.357 -11.497 1.00 1.00 C ATOM 150 CD2 TYR A 11 63.157 1.037 -12.905 1.00 1.00 C ATOM 151 CE1 TYR A 11 65.544 2.386 -12.339 1.00 1.00 C ATOM 152 CE2 TYR A 11 63.596 2.066 -13.746 1.00 1.00 C ATOM 153 CZ TYR A 11 64.789 2.741 -13.464 1.00 1.00 C ATOM 154 OH TYR A 11 65.222 3.755 -14.292 1.00 1.00 O ATOM 0 H TYR A 11 64.661 -1.524 -8.839 1.00 1.00 H new ATOM 0 HA TYR A 11 63.539 1.152 -9.411 1.00 1.00 H new ATOM 0 HB2 TYR A 11 64.099 -1.291 -10.964 1.00 1.00 H new ATOM 0 HB3 TYR A 11 62.443 -0.755 -11.167 1.00 1.00 H new ATOM 0 HD1 TYR A 11 65.687 1.083 -10.630 1.00 1.00 H new ATOM 0 HD2 TYR A 11 62.237 0.516 -13.124 1.00 1.00 H new ATOM 0 HE1 TYR A 11 66.465 2.906 -12.121 1.00 1.00 H new ATOM 0 HE2 TYR A 11 63.014 2.339 -14.613 1.00 1.00 H new ATOM 0 HH TYR A 11 64.583 3.873 -15.026 1.00 1.00 H new ATOM 164 N GLY A 12 61.624 0.567 -7.875 1.00 1.00 N ATOM 165 CA GLY A 12 60.360 0.328 -7.188 1.00 1.00 C ATOM 166 C GLY A 12 60.598 -0.202 -5.778 1.00 1.00 C ATOM 167 O GLY A 12 60.328 0.485 -4.793 1.00 1.00 O ATOM 0 H GLY A 12 62.098 1.429 -7.606 1.00 1.00 H new ATOM 0 HA2 GLY A 12 59.787 1.254 -7.141 1.00 1.00 H new ATOM 0 HA3 GLY A 12 59.764 -0.388 -7.754 1.00 1.00 H new ATOM 171 N ALA A 13 61.104 -1.427 -5.689 1.00 1.00 N ATOM 172 CA ALA A 13 61.374 -2.039 -4.393 1.00 1.00 C ATOM 173 C ALA A 13 61.576 -3.544 -4.543 1.00 1.00 C ATOM 174 O ALA A 13 60.637 -4.324 -4.385 1.00 1.00 O ATOM 175 CB ALA A 13 60.212 -1.771 -3.436 1.00 1.00 C ATOM 0 H ALA A 13 61.334 -2.012 -6.492 1.00 1.00 H new ATOM 0 HA ALA A 13 62.286 -1.600 -3.988 1.00 1.00 H new ATOM 0 HB1 ALA A 13 60.422 -2.232 -2.471 1.00 1.00 H new ATOM 0 HB2 ALA A 13 60.088 -0.696 -3.306 1.00 1.00 H new ATOM 0 HB3 ALA A 13 59.296 -2.194 -3.848 1.00 1.00 H new ATOM 181 N ASP A 14 62.805 -3.943 -4.849 1.00 1.00 N ATOM 182 CA ASP A 14 63.118 -5.358 -5.018 1.00 1.00 C ATOM 183 C ASP A 14 63.775 -5.916 -3.760 1.00 1.00 C ATOM 184 O ASP A 14 63.278 -6.867 -3.158 1.00 1.00 O ATOM 185 CB ASP A 14 64.055 -5.547 -6.212 1.00 1.00 C ATOM 186 CG ASP A 14 63.782 -6.889 -6.882 1.00 1.00 C ATOM 187 OD1 ASP A 14 63.694 -7.876 -6.172 1.00 1.00 O ATOM 188 OD2 ASP A 14 63.666 -6.910 -8.097 1.00 1.00 O ATOM 0 H ASP A 14 63.596 -3.313 -4.984 1.00 1.00 H new ATOM 0 HA ASP A 14 62.188 -5.897 -5.198 1.00 1.00 H new ATOM 0 HB2 ASP A 14 63.912 -4.738 -6.928 1.00 1.00 H new ATOM 0 HB3 ASP A 14 65.093 -5.501 -5.881 1.00 1.00 H new ATOM 193 N ASN A 15 64.895 -5.316 -3.368 1.00 1.00 N ATOM 194 CA ASN A 15 65.612 -5.761 -2.179 1.00 1.00 C ATOM 195 C ASN A 15 66.791 -4.839 -1.887 1.00 1.00 C ATOM 196 O ASN A 15 67.863 -4.982 -2.473 1.00 1.00 O ATOM 197 CB ASN A 15 66.117 -7.192 -2.379 1.00 1.00 C ATOM 198 CG ASN A 15 67.389 -7.412 -1.568 1.00 1.00 C ATOM 199 OD1 ASN A 15 67.396 -7.213 -0.353 1.00 1.00 O ATOM 200 ND2 ASN A 15 68.474 -7.817 -2.171 1.00 1.00 N ATOM 0 H ASN A 15 65.323 -4.527 -3.852 1.00 1.00 H new ATOM 0 HA ASN A 15 64.926 -5.733 -1.332 1.00 1.00 H new ATOM 0 HB2 ASN A 15 65.351 -7.904 -2.070 1.00 1.00 H new ATOM 0 HB3 ASN A 15 66.313 -7.373 -3.436 1.00 1.00 H new ATOM 0 HD21 ASN A 15 69.329 -7.969 -1.635 1.00 1.00 H new ATOM 0 HD22 ASN A 15 68.467 -7.982 -3.178 1.00 1.00 H new ATOM 207 N GLN A 16 66.585 -3.892 -0.977 1.00 1.00 N ATOM 208 CA GLN A 16 67.638 -2.952 -0.616 1.00 1.00 C ATOM 209 C GLN A 16 68.582 -3.572 0.410 1.00 1.00 C ATOM 210 O GLN A 16 69.767 -3.243 0.456 1.00 1.00 O ATOM 211 CB GLN A 16 67.023 -1.675 -0.040 1.00 1.00 C ATOM 212 CG GLN A 16 66.236 -2.014 1.228 1.00 1.00 C ATOM 213 CD GLN A 16 64.974 -1.160 1.302 1.00 1.00 C ATOM 214 OE1 GLN A 16 65.051 0.042 1.553 1.00 1.00 O ATOM 215 NE2 GLN A 16 63.810 -1.714 1.095 1.00 1.00 N ATOM 0 H GLN A 16 65.705 -3.756 -0.480 1.00 1.00 H new ATOM 0 HA GLN A 16 68.205 -2.709 -1.514 1.00 1.00 H new ATOM 0 HB2 GLN A 16 67.806 -0.952 0.188 1.00 1.00 H new ATOM 0 HB3 GLN A 16 66.366 -1.211 -0.776 1.00 1.00 H new ATOM 0 HG2 GLN A 16 65.970 -3.071 1.229 1.00 1.00 H new ATOM 0 HG3 GLN A 16 66.855 -1.840 2.108 1.00 1.00 H new ATOM 0 HE21 GLN A 16 63.749 -2.711 0.887 1.00 1.00 H new ATOM 0 HE22 GLN A 16 62.961 -1.150 1.141 1.00 1.00 H new ATOM 224 N SER A 17 68.048 -4.471 1.230 1.00 1.00 N ATOM 225 CA SER A 17 68.852 -5.131 2.251 1.00 1.00 C ATOM 226 C SER A 17 68.010 -6.139 3.028 1.00 1.00 C ATOM 227 O SER A 17 67.902 -6.060 4.251 1.00 1.00 O ATOM 228 CB SER A 17 69.426 -4.093 3.216 1.00 1.00 C ATOM 229 OG SER A 17 68.426 -3.128 3.516 1.00 1.00 O ATOM 0 H SER A 17 67.069 -4.757 1.208 1.00 1.00 H new ATOM 0 HA SER A 17 69.668 -5.659 1.758 1.00 1.00 H new ATOM 0 HB2 SER A 17 69.765 -4.579 4.131 1.00 1.00 H new ATOM 0 HB3 SER A 17 70.295 -3.607 2.772 1.00 1.00 H new ATOM 0 HG SER A 17 68.790 -2.462 4.136 1.00 1.00 H new ATOM 235 N GLU A 18 67.417 -7.085 2.308 1.00 1.00 N ATOM 236 CA GLU A 18 66.586 -8.103 2.940 1.00 1.00 C ATOM 237 C GLU A 18 66.548 -9.368 2.088 1.00 1.00 C ATOM 238 O GLU A 18 67.213 -9.453 1.056 1.00 1.00 O ATOM 239 CB GLU A 18 65.163 -7.573 3.132 1.00 1.00 C ATOM 240 CG GLU A 18 64.931 -7.260 4.611 1.00 1.00 C ATOM 241 CD GLU A 18 63.529 -6.695 4.810 1.00 1.00 C ATOM 242 OE1 GLU A 18 62.590 -7.309 4.332 1.00 1.00 O ATOM 243 OE2 GLU A 18 63.415 -5.654 5.438 1.00 1.00 O ATOM 0 H GLU A 18 67.495 -7.168 1.294 1.00 1.00 H new ATOM 0 HA GLU A 18 67.017 -8.344 3.911 1.00 1.00 H new ATOM 0 HB2 GLU A 18 65.014 -6.676 2.532 1.00 1.00 H new ATOM 0 HB3 GLU A 18 64.439 -8.311 2.788 1.00 1.00 H new ATOM 0 HG2 GLU A 18 65.056 -8.164 5.207 1.00 1.00 H new ATOM 0 HG3 GLU A 18 65.674 -6.543 4.961 1.00 1.00 H new ATOM 250 N CYS A 19 65.765 -10.349 2.527 1.00 1.00 N ATOM 251 CA CYS A 19 65.648 -11.605 1.797 1.00 1.00 C ATOM 252 C CYS A 19 66.859 -12.494 2.062 1.00 1.00 C ATOM 253 O CYS A 19 66.839 -13.690 1.771 1.00 1.00 O ATOM 254 CB CYS A 19 65.534 -11.328 0.296 1.00 1.00 C ATOM 255 SG CYS A 19 64.479 -12.583 -0.470 1.00 1.00 S ATOM 0 H CYS A 19 65.206 -10.299 3.379 1.00 1.00 H new ATOM 0 HA CYS A 19 64.751 -12.121 2.140 1.00 1.00 H new ATOM 0 HB2 CYS A 19 65.116 -10.335 0.129 1.00 1.00 H new ATOM 0 HB3 CYS A 19 66.523 -11.339 -0.163 1.00 1.00 H new ATOM 0 HG CYS A 19 64.380 -12.347 -1.745 1.00 1.00 H new ATOM 261 N GLU A 20 67.913 -11.901 2.614 1.00 1.00 N ATOM 262 CA GLU A 20 69.128 -12.650 2.914 1.00 1.00 C ATOM 263 C GLU A 20 69.154 -13.064 4.381 1.00 1.00 C ATOM 264 O GLU A 20 70.125 -13.659 4.851 1.00 1.00 O ATOM 265 CB GLU A 20 70.358 -11.796 2.601 1.00 1.00 C ATOM 266 CG GLU A 20 70.874 -12.136 1.202 1.00 1.00 C ATOM 267 CD GLU A 20 71.958 -11.145 0.791 1.00 1.00 C ATOM 268 OE1 GLU A 20 71.994 -10.066 1.360 1.00 1.00 O ATOM 269 OE2 GLU A 20 72.735 -11.478 -0.088 1.00 1.00 O ATOM 0 H GLU A 20 67.951 -10.912 2.861 1.00 1.00 H new ATOM 0 HA GLU A 20 69.141 -13.547 2.295 1.00 1.00 H new ATOM 0 HB2 GLU A 20 70.103 -10.738 2.659 1.00 1.00 H new ATOM 0 HB3 GLU A 20 71.137 -11.977 3.341 1.00 1.00 H new ATOM 0 HG2 GLU A 20 71.273 -13.150 1.189 1.00 1.00 H new ATOM 0 HG3 GLU A 20 70.053 -12.107 0.486 1.00 1.00 H new ATOM 276 N TYR A 21 68.083 -12.747 5.100 1.00 1.00 N ATOM 277 CA TYR A 21 67.993 -13.092 6.514 1.00 1.00 C ATOM 278 C TYR A 21 66.542 -13.337 6.916 1.00 1.00 C ATOM 279 O TYR A 21 66.216 -13.384 8.101 1.00 1.00 O ATOM 280 CB TYR A 21 68.577 -11.962 7.365 1.00 1.00 C ATOM 281 CG TYR A 21 68.644 -12.401 8.808 1.00 1.00 C ATOM 282 CD1 TYR A 21 69.655 -13.273 9.228 1.00 1.00 C ATOM 283 CD2 TYR A 21 67.695 -11.936 9.726 1.00 1.00 C ATOM 284 CE1 TYR A 21 69.718 -13.680 10.565 1.00 1.00 C ATOM 285 CE2 TYR A 21 67.758 -12.342 11.065 1.00 1.00 C ATOM 286 CZ TYR A 21 68.770 -13.216 11.484 1.00 1.00 C ATOM 287 OH TYR A 21 68.832 -13.616 12.803 1.00 1.00 O ATOM 0 H TYR A 21 67.270 -12.255 4.730 1.00 1.00 H new ATOM 0 HA TYR A 21 68.563 -14.006 6.682 1.00 1.00 H new ATOM 0 HB2 TYR A 21 69.573 -11.700 7.007 1.00 1.00 H new ATOM 0 HB3 TYR A 21 67.960 -11.068 7.274 1.00 1.00 H new ATOM 0 HD1 TYR A 21 70.387 -13.632 8.520 1.00 1.00 H new ATOM 0 HD2 TYR A 21 66.914 -11.264 9.402 1.00 1.00 H new ATOM 0 HE1 TYR A 21 70.499 -14.353 10.888 1.00 1.00 H new ATOM 0 HE2 TYR A 21 67.027 -11.982 11.774 1.00 1.00 H new ATOM 0 HH TYR A 21 68.100 -13.201 13.305 1.00 1.00 H new ATOM 297 N THR A 22 65.677 -13.491 5.920 1.00 1.00 N ATOM 298 CA THR A 22 64.262 -13.731 6.181 1.00 1.00 C ATOM 299 C THR A 22 63.718 -14.805 5.244 1.00 1.00 C ATOM 300 O THR A 22 62.512 -14.880 5.005 1.00 1.00 O ATOM 301 CB THR A 22 63.468 -12.437 5.990 1.00 1.00 C ATOM 302 OG1 THR A 22 63.972 -11.737 4.861 1.00 1.00 O ATOM 303 CG2 THR A 22 63.606 -11.562 7.238 1.00 1.00 C ATOM 0 H THR A 22 65.927 -13.454 4.932 1.00 1.00 H new ATOM 0 HA THR A 22 64.156 -14.074 7.210 1.00 1.00 H new ATOM 0 HB THR A 22 62.416 -12.676 5.831 1.00 1.00 H new ATOM 0 HG1 THR A 22 63.464 -10.909 4.736 1.00 1.00 H new ATOM 0 HG21 THR A 22 63.040 -10.641 7.101 1.00 1.00 H new ATOM 0 HG22 THR A 22 63.220 -12.100 8.104 1.00 1.00 H new ATOM 0 HG23 THR A 22 64.657 -11.322 7.399 1.00 1.00 H new ATOM 311 N ASP A 23 64.617 -15.631 4.716 1.00 1.00 N ATOM 312 CA ASP A 23 64.223 -16.701 3.803 1.00 1.00 C ATOM 313 C ASP A 23 64.800 -18.037 4.258 1.00 1.00 C ATOM 314 O ASP A 23 64.455 -19.088 3.717 1.00 1.00 O ATOM 315 CB ASP A 23 64.716 -16.386 2.389 1.00 1.00 C ATOM 316 CG ASP A 23 64.646 -17.638 1.522 1.00 1.00 C ATOM 317 OD1 ASP A 23 63.544 -18.089 1.255 1.00 1.00 O ATOM 318 OD2 ASP A 23 65.695 -18.128 1.136 1.00 1.00 O ATOM 0 H ASP A 23 65.618 -15.581 4.903 1.00 1.00 H new ATOM 0 HA ASP A 23 63.135 -16.771 3.804 1.00 1.00 H new ATOM 0 HB2 ASP A 23 64.107 -15.595 1.950 1.00 1.00 H new ATOM 0 HB3 ASP A 23 65.741 -16.016 2.426 1.00 1.00 H new ATOM 323 N TRP A 24 65.678 -17.992 5.256 1.00 1.00 N ATOM 324 CA TRP A 24 66.291 -19.210 5.772 1.00 1.00 C ATOM 325 C TRP A 24 65.243 -20.093 6.442 1.00 1.00 C ATOM 326 O TRP A 24 65.518 -21.238 6.799 1.00 1.00 O ATOM 327 CB TRP A 24 67.392 -18.861 6.775 1.00 1.00 C ATOM 328 CG TRP A 24 66.789 -18.203 7.976 1.00 1.00 C ATOM 329 CD1 TRP A 24 66.315 -16.938 8.012 1.00 1.00 C ATOM 330 CD2 TRP A 24 66.591 -18.754 9.310 1.00 1.00 C ATOM 331 NE1 TRP A 24 65.838 -16.675 9.283 1.00 1.00 N ATOM 332 CE2 TRP A 24 65.986 -17.763 10.121 1.00 1.00 C ATOM 333 CE3 TRP A 24 66.874 -20.003 9.891 1.00 1.00 C ATOM 334 CZ2 TRP A 24 65.673 -18.004 11.459 1.00 1.00 C ATOM 335 CZ3 TRP A 24 66.560 -20.248 11.238 1.00 1.00 C ATOM 336 CH2 TRP A 24 65.961 -19.251 12.020 1.00 1.00 C ATOM 0 H TRP A 24 65.978 -17.134 5.719 1.00 1.00 H new ATOM 0 HA TRP A 24 66.728 -19.757 4.936 1.00 1.00 H new ATOM 0 HB2 TRP A 24 67.926 -19.764 7.072 1.00 1.00 H new ATOM 0 HB3 TRP A 24 68.122 -18.197 6.312 1.00 1.00 H new ATOM 0 HD1 TRP A 24 66.310 -16.245 7.183 1.00 1.00 H new ATOM 0 HE1 TRP A 24 65.427 -15.786 9.567 1.00 1.00 H new ATOM 0 HE3 TRP A 24 67.336 -20.779 9.298 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 65.211 -17.232 12.057 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 66.782 -21.211 11.674 1.00 1.00 H new ATOM 0 HH2 TRP A 24 65.722 -19.446 13.055 1.00 1.00 H new ATOM 347 N LYS A 25 64.040 -19.548 6.606 1.00 1.00 N ATOM 348 CA LYS A 25 62.950 -20.291 7.233 1.00 1.00 C ATOM 349 C LYS A 25 61.674 -20.173 6.404 1.00 1.00 C ATOM 350 O LYS A 25 60.653 -20.779 6.732 1.00 1.00 O ATOM 351 CB LYS A 25 62.694 -19.770 8.651 1.00 1.00 C ATOM 352 CG LYS A 25 62.956 -18.260 8.716 1.00 1.00 C ATOM 353 CD LYS A 25 62.043 -17.534 7.726 1.00 1.00 C ATOM 354 CE LYS A 25 61.896 -16.071 8.147 1.00 1.00 C ATOM 355 NZ LYS A 25 61.263 -15.298 7.042 1.00 1.00 N ATOM 0 H LYS A 25 63.796 -18.601 6.316 1.00 1.00 H new ATOM 0 HA LYS A 25 63.241 -21.340 7.286 1.00 1.00 H new ATOM 0 HB2 LYS A 25 61.665 -19.981 8.944 1.00 1.00 H new ATOM 0 HB3 LYS A 25 63.340 -20.289 9.359 1.00 1.00 H new ATOM 0 HG2 LYS A 25 62.777 -17.893 9.727 1.00 1.00 H new ATOM 0 HG3 LYS A 25 64.000 -18.052 8.482 1.00 1.00 H new ATOM 0 HD2 LYS A 25 62.459 -17.594 6.720 1.00 1.00 H new ATOM 0 HD3 LYS A 25 61.065 -18.015 7.696 1.00 1.00 H new ATOM 0 HE2 LYS A 25 61.288 -16.000 9.049 1.00 1.00 H new ATOM 0 HE3 LYS A 25 62.873 -15.650 8.387 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 61.376 -14.280 7.222 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 61.720 -15.543 6.141 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 60.251 -15.531 6.991 1.00 1.00 H new ATOM 369 N SER A 26 61.741 -19.393 5.328 1.00 1.00 N ATOM 370 CA SER A 26 60.587 -19.203 4.456 1.00 1.00 C ATOM 371 C SER A 26 59.307 -19.074 5.274 1.00 1.00 C ATOM 372 O SER A 26 58.383 -19.876 5.134 1.00 1.00 O ATOM 373 CB SER A 26 60.461 -20.383 3.495 1.00 1.00 C ATOM 374 OG SER A 26 59.220 -20.299 2.806 1.00 1.00 O ATOM 0 H SER A 26 62.578 -18.885 5.041 1.00 1.00 H new ATOM 0 HA SER A 26 60.734 -18.284 3.889 1.00 1.00 H new ATOM 0 HB2 SER A 26 61.286 -20.376 2.783 1.00 1.00 H new ATOM 0 HB3 SER A 26 60.522 -21.322 4.045 1.00 1.00 H new ATOM 0 HG SER A 26 58.485 -20.451 3.436 1.00 1.00 H new ATOM 380 N SER A 27 59.260 -18.058 6.129 1.00 1.00 N ATOM 381 CA SER A 27 58.087 -17.830 6.966 1.00 1.00 C ATOM 382 C SER A 27 57.935 -16.345 7.282 1.00 1.00 C ATOM 383 O SER A 27 57.485 -15.975 8.367 1.00 1.00 O ATOM 384 CB SER A 27 58.215 -18.621 8.268 1.00 1.00 C ATOM 385 OG SER A 27 58.477 -19.984 7.965 1.00 1.00 O ATOM 0 H SER A 27 60.014 -17.384 6.261 1.00 1.00 H new ATOM 0 HA SER A 27 57.204 -18.166 6.422 1.00 1.00 H new ATOM 0 HB2 SER A 27 59.020 -18.211 8.879 1.00 1.00 H new ATOM 0 HB3 SER A 27 57.298 -18.536 8.851 1.00 1.00 H new ATOM 0 HG SER A 27 59.442 -20.115 7.853 1.00 1.00 H new ATOM 391 N GLY A 28 58.313 -15.502 6.328 1.00 1.00 N ATOM 392 CA GLY A 28 58.214 -14.058 6.516 1.00 1.00 C ATOM 393 C GLY A 28 58.395 -13.323 5.193 1.00 1.00 C ATOM 394 O GLY A 28 58.989 -12.246 5.147 1.00 1.00 O ATOM 0 H GLY A 28 58.688 -15.789 5.424 1.00 1.00 H new ATOM 0 HA2 GLY A 28 57.243 -13.809 6.945 1.00 1.00 H new ATOM 0 HA3 GLY A 28 58.971 -13.727 7.227 1.00 1.00 H new ATOM 398 N ALA A 29 57.880 -13.912 4.119 1.00 1.00 N ATOM 399 CA ALA A 29 57.991 -13.303 2.798 1.00 1.00 C ATOM 400 C ALA A 29 56.677 -13.437 2.035 1.00 1.00 C ATOM 401 O ALA A 29 56.544 -12.939 0.918 1.00 1.00 O ATOM 402 CB ALA A 29 59.115 -13.974 2.007 1.00 1.00 C ATOM 0 H ALA A 29 57.385 -14.804 4.136 1.00 1.00 H new ATOM 0 HA ALA A 29 58.218 -12.244 2.923 1.00 1.00 H new ATOM 0 HB1 ALA A 29 59.192 -13.514 1.022 1.00 1.00 H new ATOM 0 HB2 ALA A 29 60.058 -13.851 2.539 1.00 1.00 H new ATOM 0 HB3 ALA A 29 58.897 -15.036 1.895 1.00 1.00 H new ATOM 408 N LEU A 30 55.710 -14.113 2.646 1.00 1.00 N ATOM 409 CA LEU A 30 54.410 -14.306 2.014 1.00 1.00 C ATOM 410 C LEU A 30 53.290 -14.172 3.040 1.00 1.00 C ATOM 411 O LEU A 30 52.133 -13.946 2.685 1.00 1.00 O ATOM 412 CB LEU A 30 54.346 -15.689 1.363 1.00 1.00 C ATOM 413 CG LEU A 30 55.017 -16.716 2.278 1.00 1.00 C ATOM 414 CD1 LEU A 30 54.236 -18.029 2.232 1.00 1.00 C ATOM 415 CD2 LEU A 30 56.451 -16.961 1.801 1.00 1.00 C ATOM 0 H LEU A 30 55.800 -14.534 3.571 1.00 1.00 H new ATOM 0 HA LEU A 30 54.281 -13.539 1.250 1.00 1.00 H new ATOM 0 HB2 LEU A 30 53.308 -15.970 1.183 1.00 1.00 H new ATOM 0 HB3 LEU A 30 54.844 -15.670 0.394 1.00 1.00 H new ATOM 0 HG LEU A 30 55.031 -16.337 3.300 1.00 1.00 H new ATOM 0 HD11 LEU A 30 54.714 -18.760 2.884 1.00 1.00 H new ATOM 0 HD12 LEU A 30 53.214 -17.856 2.569 1.00 1.00 H new ATOM 0 HD13 LEU A 30 54.222 -18.408 1.210 1.00 1.00 H new ATOM 0 HD21 LEU A 30 56.931 -17.692 2.451 1.00 1.00 H new ATOM 0 HD22 LEU A 30 56.435 -17.340 0.779 1.00 1.00 H new ATOM 0 HD23 LEU A 30 57.010 -16.026 1.832 1.00 1.00 H new ATOM 427 N ILE A 31 53.641 -14.314 4.315 1.00 1.00 N ATOM 428 CA ILE A 31 52.658 -14.206 5.384 1.00 1.00 C ATOM 429 C ILE A 31 52.331 -12.739 5.680 1.00 1.00 C ATOM 430 O ILE A 31 51.171 -12.394 5.901 1.00 1.00 O ATOM 431 CB ILE A 31 53.178 -14.928 6.644 1.00 1.00 C ATOM 432 CG1 ILE A 31 52.421 -16.249 6.809 1.00 1.00 C ATOM 433 CG2 ILE A 31 52.972 -14.076 7.904 1.00 1.00 C ATOM 434 CD1 ILE A 31 52.614 -17.109 5.559 1.00 1.00 C ATOM 0 H ILE A 31 54.593 -14.503 4.630 1.00 1.00 H new ATOM 0 HA ILE A 31 51.733 -14.687 5.064 1.00 1.00 H new ATOM 0 HB ILE A 31 54.246 -15.106 6.520 1.00 1.00 H new ATOM 0 HG12 ILE A 31 52.784 -16.781 7.688 1.00 1.00 H new ATOM 0 HG13 ILE A 31 51.360 -16.055 6.969 1.00 1.00 H new ATOM 0 HG21 ILE A 31 53.349 -14.615 8.773 1.00 1.00 H new ATOM 0 HG22 ILE A 31 53.511 -13.134 7.799 1.00 1.00 H new ATOM 0 HG23 ILE A 31 51.909 -13.873 8.036 1.00 1.00 H new ATOM 0 HD11 ILE A 31 52.075 -18.049 5.677 1.00 1.00 H new ATOM 0 HD12 ILE A 31 52.230 -16.577 4.689 1.00 1.00 H new ATOM 0 HD13 ILE A 31 53.675 -17.315 5.419 1.00 1.00 H new ATOM 446 N PRO A 32 53.318 -11.874 5.694 1.00 1.00 N ATOM 447 CA PRO A 32 53.108 -10.431 5.973 1.00 1.00 C ATOM 448 C PRO A 32 52.762 -9.644 4.712 1.00 1.00 C ATOM 449 O PRO A 32 52.258 -8.524 4.786 1.00 1.00 O ATOM 450 CB PRO A 32 54.455 -9.991 6.544 1.00 1.00 C ATOM 451 CG PRO A 32 55.473 -10.912 5.943 1.00 1.00 C ATOM 452 CD PRO A 32 54.738 -12.164 5.447 1.00 1.00 C ATOM 0 HA PRO A 32 52.270 -10.254 6.647 1.00 1.00 H new ATOM 0 HB2 PRO A 32 54.668 -8.953 6.289 1.00 1.00 H new ATOM 0 HB3 PRO A 32 54.460 -10.059 7.632 1.00 1.00 H new ATOM 0 HG2 PRO A 32 55.992 -10.422 5.119 1.00 1.00 H new ATOM 0 HG3 PRO A 32 56.229 -11.180 6.681 1.00 1.00 H new ATOM 0 HD2 PRO A 32 54.929 -12.344 4.389 1.00 1.00 H new ATOM 0 HD3 PRO A 32 55.062 -13.055 5.986 1.00 1.00 H new ATOM 460 N ALA A 33 53.035 -10.239 3.555 1.00 1.00 N ATOM 461 CA ALA A 33 52.748 -9.585 2.284 1.00 1.00 C ATOM 462 C ALA A 33 51.246 -9.375 2.118 1.00 1.00 C ATOM 463 O ALA A 33 50.795 -8.813 1.120 1.00 1.00 O ATOM 464 CB ALA A 33 53.277 -10.434 1.128 1.00 1.00 C ATOM 0 H ALA A 33 53.452 -11.166 3.472 1.00 1.00 H new ATOM 0 HA ALA A 33 53.243 -8.614 2.276 1.00 1.00 H new ATOM 0 HB1 ALA A 33 53.058 -9.938 0.182 1.00 1.00 H new ATOM 0 HB2 ALA A 33 54.355 -10.559 1.232 1.00 1.00 H new ATOM 0 HB3 ALA A 33 52.796 -11.412 1.145 1.00 1.00 H new ATOM 470 N ILE A 34 50.478 -9.830 3.104 1.00 1.00 N ATOM 471 CA ILE A 34 49.027 -9.687 3.058 1.00 1.00 C ATOM 472 C ILE A 34 48.492 -9.241 4.416 1.00 1.00 C ATOM 473 O ILE A 34 47.750 -8.263 4.510 1.00 1.00 O ATOM 474 CB ILE A 34 48.382 -11.017 2.664 1.00 1.00 C ATOM 475 CG1 ILE A 34 49.475 -12.063 2.427 1.00 1.00 C ATOM 476 CG2 ILE A 34 47.567 -10.829 1.382 1.00 1.00 C ATOM 477 CD1 ILE A 34 48.833 -13.400 2.050 1.00 1.00 C ATOM 0 H ILE A 34 50.833 -10.297 3.938 1.00 1.00 H new ATOM 0 HA ILE A 34 48.778 -8.930 2.314 1.00 1.00 H new ATOM 0 HB ILE A 34 47.724 -11.354 3.465 1.00 1.00 H new ATOM 0 HG12 ILE A 34 50.143 -11.732 1.632 1.00 1.00 H new ATOM 0 HG13 ILE A 34 50.082 -12.180 3.325 1.00 1.00 H new ATOM 0 HG21 ILE A 34 47.107 -11.776 1.101 1.00 1.00 H new ATOM 0 HG22 ILE A 34 46.789 -10.084 1.551 1.00 1.00 H new ATOM 0 HG23 ILE A 34 48.223 -10.492 0.580 1.00 1.00 H new ATOM 0 HD11 ILE A 34 49.612 -14.143 1.882 1.00 1.00 H new ATOM 0 HD12 ILE A 34 48.183 -13.733 2.859 1.00 1.00 H new ATOM 0 HD13 ILE A 34 48.246 -13.278 1.140 1.00 1.00 H new ATOM 489 N TYR A 35 48.874 -9.964 5.463 1.00 1.00 N ATOM 490 CA TYR A 35 48.426 -9.633 6.811 1.00 1.00 C ATOM 491 C TYR A 35 48.723 -8.171 7.129 1.00 1.00 C ATOM 492 O TYR A 35 47.987 -7.526 7.875 1.00 1.00 O ATOM 493 CB TYR A 35 49.128 -10.532 7.831 1.00 1.00 C ATOM 494 CG TYR A 35 48.184 -11.624 8.273 1.00 1.00 C ATOM 495 CD1 TYR A 35 47.145 -11.332 9.166 1.00 1.00 C ATOM 496 CD2 TYR A 35 48.348 -12.929 7.793 1.00 1.00 C ATOM 497 CE1 TYR A 35 46.270 -12.345 9.578 1.00 1.00 C ATOM 498 CE2 TYR A 35 47.473 -13.941 8.204 1.00 1.00 C ATOM 499 CZ TYR A 35 46.435 -13.650 9.097 1.00 1.00 C ATOM 500 OH TYR A 35 45.572 -14.648 9.502 1.00 1.00 O ATOM 0 H TYR A 35 49.488 -10.777 5.406 1.00 1.00 H new ATOM 0 HA TYR A 35 47.349 -9.794 6.866 1.00 1.00 H new ATOM 0 HB2 TYR A 35 50.025 -10.968 7.391 1.00 1.00 H new ATOM 0 HB3 TYR A 35 49.448 -9.944 8.691 1.00 1.00 H new ATOM 0 HD1 TYR A 35 47.019 -10.326 9.537 1.00 1.00 H new ATOM 0 HD2 TYR A 35 49.150 -13.155 7.106 1.00 1.00 H new ATOM 0 HE1 TYR A 35 45.469 -12.120 10.266 1.00 1.00 H new ATOM 0 HE2 TYR A 35 47.599 -14.947 7.832 1.00 1.00 H new ATOM 0 HH TYR A 35 45.825 -15.493 9.075 1.00 1.00 H new ATOM 510 N MET A 36 49.806 -7.655 6.557 1.00 1.00 N ATOM 511 CA MET A 36 50.192 -6.268 6.786 1.00 1.00 C ATOM 512 C MET A 36 49.094 -5.321 6.311 1.00 1.00 C ATOM 513 O MET A 36 48.559 -4.535 7.092 1.00 1.00 O ATOM 514 CB MET A 36 51.493 -5.958 6.043 1.00 1.00 C ATOM 515 CG MET A 36 52.644 -6.733 6.685 1.00 1.00 C ATOM 516 SD MET A 36 53.264 -5.816 8.118 1.00 1.00 S ATOM 517 CE MET A 36 54.226 -7.163 8.850 1.00 1.00 C ATOM 0 H MET A 36 50.428 -8.172 5.936 1.00 1.00 H new ATOM 0 HA MET A 36 50.342 -6.124 7.856 1.00 1.00 H new ATOM 0 HB2 MET A 36 51.398 -6.231 4.992 1.00 1.00 H new ATOM 0 HB3 MET A 36 51.697 -4.888 6.077 1.00 1.00 H new ATOM 0 HG2 MET A 36 52.304 -7.722 6.992 1.00 1.00 H new ATOM 0 HG3 MET A 36 53.445 -6.882 5.961 1.00 1.00 H new ATOM 0 HE1 MET A 36 54.705 -6.813 9.764 1.00 1.00 H new ATOM 0 HE2 MET A 36 53.565 -7.997 9.083 1.00 1.00 H new ATOM 0 HE3 MET A 36 54.989 -7.491 8.144 1.00 1.00 H new ATOM 527 N LEU A 37 48.766 -5.401 5.026 1.00 1.00 N ATOM 528 CA LEU A 37 47.730 -4.546 4.458 1.00 1.00 C ATOM 529 C LEU A 37 46.498 -4.528 5.357 1.00 1.00 C ATOM 530 O LEU A 37 45.693 -3.599 5.306 1.00 1.00 O ATOM 531 CB LEU A 37 47.341 -5.049 3.067 1.00 1.00 C ATOM 532 CG LEU A 37 48.082 -4.236 2.004 1.00 1.00 C ATOM 533 CD1 LEU A 37 49.589 -4.337 2.241 1.00 1.00 C ATOM 534 CD2 LEU A 37 47.747 -4.789 0.616 1.00 1.00 C ATOM 0 H LEU A 37 49.199 -6.044 4.362 1.00 1.00 H new ATOM 0 HA LEU A 37 48.124 -3.533 4.380 1.00 1.00 H new ATOM 0 HB2 LEU A 37 47.588 -6.106 2.969 1.00 1.00 H new ATOM 0 HB3 LEU A 37 46.264 -4.958 2.924 1.00 1.00 H new ATOM 0 HG LEU A 37 47.774 -3.192 2.066 1.00 1.00 H new ATOM 0 HD11 LEU A 37 50.116 -3.757 1.483 1.00 1.00 H new ATOM 0 HD12 LEU A 37 49.829 -3.945 3.229 1.00 1.00 H new ATOM 0 HD13 LEU A 37 49.898 -5.381 2.180 1.00 1.00 H new ATOM 0 HD21 LEU A 37 48.274 -4.211 -0.143 1.00 1.00 H new ATOM 0 HD22 LEU A 37 48.055 -5.833 0.556 1.00 1.00 H new ATOM 0 HD23 LEU A 37 46.673 -4.718 0.445 1.00 1.00 H new ATOM 546 N VAL A 38 46.359 -5.561 6.181 1.00 1.00 N ATOM 547 CA VAL A 38 45.221 -5.655 7.087 1.00 1.00 C ATOM 548 C VAL A 38 45.571 -5.064 8.450 1.00 1.00 C ATOM 549 O VAL A 38 44.836 -4.233 8.983 1.00 1.00 O ATOM 550 CB VAL A 38 44.807 -7.118 7.255 1.00 1.00 C ATOM 551 CG1 VAL A 38 43.402 -7.186 7.858 1.00 1.00 C ATOM 552 CG2 VAL A 38 44.809 -7.807 5.889 1.00 1.00 C ATOM 0 H VAL A 38 47.015 -6.340 6.240 1.00 1.00 H new ATOM 0 HA VAL A 38 44.393 -5.090 6.660 1.00 1.00 H new ATOM 0 HB VAL A 38 45.511 -7.621 7.918 1.00 1.00 H new ATOM 0 HG11 VAL A 38 43.107 -8.229 7.977 1.00 1.00 H new ATOM 0 HG12 VAL A 38 43.399 -6.694 8.831 1.00 1.00 H new ATOM 0 HG13 VAL A 38 42.697 -6.683 7.196 1.00 1.00 H new ATOM 0 HG21 VAL A 38 44.514 -8.850 6.007 1.00 1.00 H new ATOM 0 HG22 VAL A 38 44.105 -7.304 5.227 1.00 1.00 H new ATOM 0 HG23 VAL A 38 45.809 -7.759 5.459 1.00 1.00 H new ATOM 562 N PHE A 39 46.697 -5.499 9.007 1.00 1.00 N ATOM 563 CA PHE A 39 47.134 -5.005 10.307 1.00 1.00 C ATOM 564 C PHE A 39 47.044 -3.483 10.360 1.00 1.00 C ATOM 565 O PHE A 39 47.096 -2.887 11.436 1.00 1.00 O ATOM 566 CB PHE A 39 48.575 -5.442 10.576 1.00 1.00 C ATOM 567 CG PHE A 39 48.699 -5.915 12.005 1.00 1.00 C ATOM 568 CD1 PHE A 39 48.207 -7.172 12.371 1.00 1.00 C ATOM 569 CD2 PHE A 39 49.307 -5.094 12.962 1.00 1.00 C ATOM 570 CE1 PHE A 39 48.321 -7.611 13.696 1.00 1.00 C ATOM 571 CE2 PHE A 39 49.421 -5.533 14.288 1.00 1.00 C ATOM 572 CZ PHE A 39 48.929 -6.790 14.654 1.00 1.00 C ATOM 0 H PHE A 39 47.319 -6.187 8.582 1.00 1.00 H new ATOM 0 HA PHE A 39 46.479 -5.424 11.071 1.00 1.00 H new ATOM 0 HB2 PHE A 39 48.858 -6.241 9.891 1.00 1.00 H new ATOM 0 HB3 PHE A 39 49.258 -4.612 10.396 1.00 1.00 H new ATOM 0 HD1 PHE A 39 47.739 -7.805 11.631 1.00 1.00 H new ATOM 0 HD2 PHE A 39 49.688 -4.124 12.679 1.00 1.00 H new ATOM 0 HE1 PHE A 39 47.941 -8.581 13.979 1.00 1.00 H new ATOM 0 HE2 PHE A 39 49.889 -4.900 15.028 1.00 1.00 H new ATOM 0 HZ PHE A 39 49.018 -7.128 15.676 1.00 1.00 H new ATOM 582 N LEU A 40 46.908 -2.864 9.189 1.00 1.00 N ATOM 583 CA LEU A 40 46.810 -1.411 9.103 1.00 1.00 C ATOM 584 C LEU A 40 45.543 -1.008 8.356 1.00 1.00 C ATOM 585 O LEU A 40 45.543 -0.044 7.589 1.00 1.00 O ATOM 586 CB LEU A 40 48.033 -0.847 8.377 1.00 1.00 C ATOM 587 CG LEU A 40 49.289 -1.123 9.204 1.00 1.00 C ATOM 588 CD1 LEU A 40 50.427 -1.557 8.277 1.00 1.00 C ATOM 589 CD2 LEU A 40 49.698 0.151 9.949 1.00 1.00 C ATOM 0 H LEU A 40 46.863 -3.345 8.291 1.00 1.00 H new ATOM 0 HA LEU A 40 46.770 -1.006 10.114 1.00 1.00 H new ATOM 0 HB2 LEU A 40 48.126 -1.303 7.391 1.00 1.00 H new ATOM 0 HB3 LEU A 40 47.915 0.225 8.222 1.00 1.00 H new ATOM 0 HG LEU A 40 49.083 -1.916 9.923 1.00 1.00 H new ATOM 0 HD11 LEU A 40 51.322 -1.754 8.867 1.00 1.00 H new ATOM 0 HD12 LEU A 40 50.137 -2.463 7.745 1.00 1.00 H new ATOM 0 HD13 LEU A 40 50.633 -0.764 7.558 1.00 1.00 H new ATOM 0 HD21 LEU A 40 50.593 -0.044 10.539 1.00 1.00 H new ATOM 0 HD22 LEU A 40 49.903 0.943 9.229 1.00 1.00 H new ATOM 0 HD23 LEU A 40 48.889 0.462 10.610 1.00 1.00 H new ATOM 601 N LEU A 41 44.466 -1.753 8.582 1.00 1.00 N ATOM 602 CA LEU A 41 43.198 -1.466 7.923 1.00 1.00 C ATOM 603 C LEU A 41 42.074 -2.277 8.560 1.00 1.00 C ATOM 604 O LEU A 41 41.132 -1.718 9.122 1.00 1.00 O ATOM 605 CB LEU A 41 43.305 -1.799 6.429 1.00 1.00 C ATOM 606 CG LEU A 41 41.923 -1.744 5.766 1.00 1.00 C ATOM 607 CD1 LEU A 41 41.221 -0.432 6.127 1.00 1.00 C ATOM 608 CD2 LEU A 41 42.090 -1.823 4.247 1.00 1.00 C ATOM 0 H LEU A 41 44.446 -2.555 9.212 1.00 1.00 H new ATOM 0 HA LEU A 41 42.971 -0.406 8.039 1.00 1.00 H new ATOM 0 HB2 LEU A 41 43.978 -1.094 5.940 1.00 1.00 H new ATOM 0 HB3 LEU A 41 43.737 -2.792 6.302 1.00 1.00 H new ATOM 0 HG LEU A 41 41.322 -2.582 6.120 1.00 1.00 H new ATOM 0 HD11 LEU A 41 40.240 -0.401 5.652 1.00 1.00 H new ATOM 0 HD12 LEU A 41 41.102 -0.368 7.209 1.00 1.00 H new ATOM 0 HD13 LEU A 41 41.820 0.409 5.778 1.00 1.00 H new ATOM 0 HD21 LEU A 41 41.110 -1.784 3.771 1.00 1.00 H new ATOM 0 HD22 LEU A 41 42.694 -0.983 3.903 1.00 1.00 H new ATOM 0 HD23 LEU A 41 42.585 -2.758 3.983 1.00 1.00 H new ATOM 620 N GLY A 42 42.178 -3.599 8.465 1.00 1.00 N ATOM 621 CA GLY A 42 41.163 -4.478 9.035 1.00 1.00 C ATOM 622 C GLY A 42 41.079 -4.310 10.548 1.00 1.00 C ATOM 623 O GLY A 42 40.132 -4.774 11.182 1.00 1.00 O ATOM 0 H GLY A 42 42.948 -4.082 8.003 1.00 1.00 H new ATOM 0 HA2 GLY A 42 40.194 -4.258 8.587 1.00 1.00 H new ATOM 0 HA3 GLY A 42 41.398 -5.515 8.793 1.00 1.00 H new ATOM 627 N THR A 43 42.076 -3.645 11.123 1.00 1.00 N ATOM 628 CA THR A 43 42.102 -3.423 12.564 1.00 1.00 C ATOM 629 C THR A 43 42.827 -2.124 12.898 1.00 1.00 C ATOM 630 O THR A 43 42.359 -1.344 13.725 1.00 1.00 O ATOM 631 CB THR A 43 42.799 -4.594 13.264 1.00 1.00 C ATOM 632 OG1 THR A 43 42.882 -4.327 14.656 1.00 1.00 O ATOM 633 CG2 THR A 43 44.207 -4.774 12.692 1.00 1.00 C ATOM 0 H THR A 43 42.871 -3.253 10.618 1.00 1.00 H new ATOM 0 HA THR A 43 41.073 -3.350 12.916 1.00 1.00 H new ATOM 0 HB THR A 43 42.226 -5.507 13.100 1.00 1.00 H new ATOM 0 HG1 THR A 43 43.326 -5.075 15.107 1.00 1.00 H new ATOM 0 HG21 THR A 43 44.699 -5.608 13.193 1.00 1.00 H new ATOM 0 HG22 THR A 43 44.142 -4.979 11.623 1.00 1.00 H new ATOM 0 HG23 THR A 43 44.784 -3.863 12.852 1.00 1.00 H new ATOM 641 N THR A 44 43.968 -1.906 12.241 1.00 1.00 N ATOM 642 CA THR A 44 44.777 -0.705 12.452 1.00 1.00 C ATOM 643 C THR A 44 44.687 -0.223 13.896 1.00 1.00 C ATOM 644 O THR A 44 45.511 -0.584 14.735 1.00 1.00 O ATOM 645 CB THR A 44 44.333 0.419 11.503 1.00 1.00 C ATOM 646 OG1 THR A 44 44.474 1.670 12.159 1.00 1.00 O ATOM 647 CG2 THR A 44 42.870 0.224 11.089 1.00 1.00 C ATOM 0 H THR A 44 44.355 -2.552 11.553 1.00 1.00 H new ATOM 0 HA THR A 44 45.814 -0.966 12.239 1.00 1.00 H new ATOM 0 HB THR A 44 44.957 0.394 10.610 1.00 1.00 H new ATOM 0 HG1 THR A 44 44.193 2.389 11.556 1.00 1.00 H new ATOM 0 HG21 THR A 44 42.572 1.029 10.417 1.00 1.00 H new ATOM 0 HG22 THR A 44 42.761 -0.733 10.580 1.00 1.00 H new ATOM 0 HG23 THR A 44 42.236 0.238 11.976 1.00 1.00 H new ATOM 655 N GLY A 45 43.679 0.591 14.174 1.00 1.00 N ATOM 656 CA GLY A 45 43.481 1.118 15.520 1.00 1.00 C ATOM 657 C GLY A 45 43.642 0.017 16.560 1.00 1.00 C ATOM 658 O GLY A 45 44.535 0.073 17.404 1.00 1.00 O ATOM 0 H GLY A 45 42.988 0.901 13.491 1.00 1.00 H new ATOM 0 HA2 GLY A 45 44.199 1.915 15.713 1.00 1.00 H new ATOM 0 HA3 GLY A 45 42.487 1.558 15.601 1.00 1.00 H new ATOM 662 N ASN A 46 42.774 -0.989 16.488 1.00 1.00 N ATOM 663 CA ASN A 46 42.837 -2.101 17.427 1.00 1.00 C ATOM 664 C ASN A 46 44.092 -2.929 17.176 1.00 1.00 C ATOM 665 O ASN A 46 44.364 -3.897 17.884 1.00 1.00 O ATOM 666 CB ASN A 46 41.598 -2.986 17.274 1.00 1.00 C ATOM 667 CG ASN A 46 40.356 -2.226 17.727 1.00 1.00 C ATOM 668 OD1 ASN A 46 40.167 -2.001 18.923 1.00 1.00 O ATOM 669 ND2 ASN A 46 39.494 -1.817 16.839 1.00 1.00 N ATOM 0 H ASN A 46 42.027 -1.056 15.797 1.00 1.00 H new ATOM 0 HA ASN A 46 42.870 -1.702 18.441 1.00 1.00 H new ATOM 0 HB2 ASN A 46 41.487 -3.294 16.234 1.00 1.00 H new ATOM 0 HB3 ASN A 46 41.714 -3.894 17.865 1.00 1.00 H new ATOM 0 HD21 ASN A 46 38.660 -1.309 17.134 1.00 1.00 H new ATOM 0 HD22 ASN A 46 39.653 -2.005 15.849 1.00 1.00 H new ATOM 676 N GLY A 47 44.852 -2.535 16.158 1.00 1.00 N ATOM 677 CA GLY A 47 46.079 -3.241 15.813 1.00 1.00 C ATOM 678 C GLY A 47 47.271 -2.657 16.565 1.00 1.00 C ATOM 679 O GLY A 47 48.282 -3.330 16.763 1.00 1.00 O ATOM 0 H GLY A 47 44.640 -1.735 15.561 1.00 1.00 H new ATOM 0 HA2 GLY A 47 45.975 -4.299 16.053 1.00 1.00 H new ATOM 0 HA3 GLY A 47 46.253 -3.174 14.739 1.00 1.00 H new ATOM 683 N LEU A 48 47.144 -1.401 16.979 1.00 1.00 N ATOM 684 CA LEU A 48 48.216 -0.735 17.708 1.00 1.00 C ATOM 685 C LEU A 48 47.650 0.092 18.858 1.00 1.00 C ATOM 686 O LEU A 48 48.092 1.215 19.104 1.00 1.00 O ATOM 687 CB LEU A 48 49.003 0.175 16.762 1.00 1.00 C ATOM 688 CG LEU A 48 48.029 0.986 15.906 1.00 1.00 C ATOM 689 CD1 LEU A 48 48.474 2.448 15.870 1.00 1.00 C ATOM 690 CD2 LEU A 48 48.014 0.424 14.482 1.00 1.00 C ATOM 0 H LEU A 48 46.315 -0.827 16.823 1.00 1.00 H new ATOM 0 HA LEU A 48 48.880 -1.497 18.116 1.00 1.00 H new ATOM 0 HB2 LEU A 48 49.645 0.845 17.335 1.00 1.00 H new ATOM 0 HB3 LEU A 48 49.654 -0.422 16.124 1.00 1.00 H new ATOM 0 HG LEU A 48 47.029 0.922 16.335 1.00 1.00 H new ATOM 0 HD11 LEU A 48 47.779 3.025 15.260 1.00 1.00 H new ATOM 0 HD12 LEU A 48 48.487 2.850 16.883 1.00 1.00 H new ATOM 0 HD13 LEU A 48 49.474 2.513 15.441 1.00 1.00 H new ATOM 0 HD21 LEU A 48 47.320 1.001 13.870 1.00 1.00 H new ATOM 0 HD22 LEU A 48 49.015 0.489 14.055 1.00 1.00 H new ATOM 0 HD23 LEU A 48 47.696 -0.618 14.506 1.00 1.00 H new ATOM 702 N VAL A 49 46.669 -0.471 19.558 1.00 1.00 N ATOM 703 CA VAL A 49 46.047 0.222 20.681 1.00 1.00 C ATOM 704 C VAL A 49 45.888 -0.720 21.869 1.00 1.00 C ATOM 705 O VAL A 49 46.451 -0.486 22.939 1.00 1.00 O ATOM 706 CB VAL A 49 44.677 0.761 20.267 1.00 1.00 C ATOM 707 CG1 VAL A 49 43.891 1.169 21.515 1.00 1.00 C ATOM 708 CG2 VAL A 49 44.861 1.980 19.362 1.00 1.00 C ATOM 0 H VAL A 49 46.290 -1.399 19.369 1.00 1.00 H new ATOM 0 HA VAL A 49 46.690 1.052 20.974 1.00 1.00 H new ATOM 0 HB VAL A 49 44.130 -0.013 19.729 1.00 1.00 H new ATOM 0 HG11 VAL A 49 42.914 1.553 21.220 1.00 1.00 H new ATOM 0 HG12 VAL A 49 43.760 0.302 22.162 1.00 1.00 H new ATOM 0 HG13 VAL A 49 44.438 1.943 22.053 1.00 1.00 H new ATOM 0 HG21 VAL A 49 43.885 2.365 19.067 1.00 1.00 H new ATOM 0 HG22 VAL A 49 45.408 2.754 19.901 1.00 1.00 H new ATOM 0 HG23 VAL A 49 45.422 1.692 18.473 1.00 1.00 H new ATOM 718 N LEU A 50 45.118 -1.786 21.675 1.00 1.00 N ATOM 719 CA LEU A 50 44.892 -2.756 22.740 1.00 1.00 C ATOM 720 C LEU A 50 45.761 -3.992 22.532 1.00 1.00 C ATOM 721 O LEU A 50 45.946 -4.794 23.447 1.00 1.00 O ATOM 722 CB LEU A 50 43.418 -3.166 22.768 1.00 1.00 C ATOM 723 CG LEU A 50 43.075 -3.931 21.490 1.00 1.00 C ATOM 724 CD1 LEU A 50 42.967 -5.425 21.801 1.00 1.00 C ATOM 725 CD2 LEU A 50 41.738 -3.429 20.938 1.00 1.00 C ATOM 0 H LEU A 50 44.644 -1.999 20.798 1.00 1.00 H new ATOM 0 HA LEU A 50 45.159 -2.293 23.690 1.00 1.00 H new ATOM 0 HB2 LEU A 50 43.220 -3.788 23.641 1.00 1.00 H new ATOM 0 HB3 LEU A 50 42.786 -2.282 22.856 1.00 1.00 H new ATOM 0 HG LEU A 50 43.859 -3.770 20.750 1.00 1.00 H new ATOM 0 HD11 LEU A 50 42.722 -5.970 20.889 1.00 1.00 H new ATOM 0 HD12 LEU A 50 43.918 -5.784 22.194 1.00 1.00 H new ATOM 0 HD13 LEU A 50 42.184 -5.587 22.541 1.00 1.00 H new ATOM 0 HD21 LEU A 50 41.493 -3.974 20.027 1.00 1.00 H new ATOM 0 HD22 LEU A 50 40.955 -3.590 21.679 1.00 1.00 H new ATOM 0 HD23 LEU A 50 41.813 -2.365 20.715 1.00 1.00 H new ATOM 737 N TRP A 51 46.294 -4.139 21.323 1.00 1.00 N ATOM 738 CA TRP A 51 47.143 -5.281 21.006 1.00 1.00 C ATOM 739 C TRP A 51 48.568 -5.041 21.496 1.00 1.00 C ATOM 740 O TRP A 51 49.270 -5.979 21.876 1.00 1.00 O ATOM 741 CB TRP A 51 47.154 -5.521 19.496 1.00 1.00 C ATOM 742 CG TRP A 51 48.531 -5.912 19.063 1.00 1.00 C ATOM 743 CD1 TRP A 51 49.517 -5.045 18.738 1.00 1.00 C ATOM 744 CD2 TRP A 51 49.090 -7.247 18.904 1.00 1.00 C ATOM 745 NE1 TRP A 51 50.646 -5.764 18.389 1.00 1.00 N ATOM 746 CE2 TRP A 51 50.433 -7.126 18.475 1.00 1.00 C ATOM 747 CE3 TRP A 51 48.568 -8.540 19.088 1.00 1.00 C ATOM 748 CZ2 TRP A 51 51.229 -8.246 18.237 1.00 1.00 C ATOM 749 CZ3 TRP A 51 49.366 -9.670 18.849 1.00 1.00 C ATOM 750 CH2 TRP A 51 50.694 -9.524 18.425 1.00 1.00 C ATOM 0 H TRP A 51 46.154 -3.486 20.552 1.00 1.00 H new ATOM 0 HA TRP A 51 46.741 -6.160 21.510 1.00 1.00 H new ATOM 0 HB2 TRP A 51 46.443 -6.306 19.237 1.00 1.00 H new ATOM 0 HB3 TRP A 51 46.839 -4.619 18.971 1.00 1.00 H new ATOM 0 HD1 TRP A 51 49.436 -3.968 18.749 1.00 1.00 H new ATOM 0 HE1 TRP A 51 51.528 -5.340 18.103 1.00 1.00 H new ATOM 0 HE3 TRP A 51 47.546 -8.664 19.415 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 52.251 -8.127 17.910 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 48.954 -10.658 18.993 1.00 1.00 H new ATOM 0 HH2 TRP A 51 51.303 -10.397 18.244 1.00 1.00 H new ATOM 761 N THR A 52 48.987 -3.781 21.485 1.00 1.00 N ATOM 762 CA THR A 52 50.331 -3.430 21.930 1.00 1.00 C ATOM 763 C THR A 52 50.631 -4.067 23.283 1.00 1.00 C ATOM 764 O THR A 52 51.772 -4.433 23.568 1.00 1.00 O ATOM 765 CB THR A 52 50.464 -1.909 22.039 1.00 1.00 C ATOM 766 OG1 THR A 52 51.824 -1.570 22.272 1.00 1.00 O ATOM 767 CG2 THR A 52 49.604 -1.401 23.197 1.00 1.00 C ATOM 0 H THR A 52 48.421 -2.991 21.176 1.00 1.00 H new ATOM 0 HA THR A 52 51.046 -3.806 21.198 1.00 1.00 H new ATOM 0 HB THR A 52 50.128 -1.447 21.111 1.00 1.00 H new ATOM 0 HG1 THR A 52 51.911 -0.596 22.341 1.00 1.00 H new ATOM 0 HG21 THR A 52 49.700 -0.318 23.273 1.00 1.00 H new ATOM 0 HG22 THR A 52 48.561 -1.661 23.017 1.00 1.00 H new ATOM 0 HG23 THR A 52 49.938 -1.861 24.127 1.00 1.00 H new ATOM 775 N VAL A 53 49.602 -4.196 24.112 1.00 1.00 N ATOM 776 CA VAL A 53 49.767 -4.790 25.434 1.00 1.00 C ATOM 777 C VAL A 53 50.345 -6.198 25.319 1.00 1.00 C ATOM 778 O VAL A 53 51.382 -6.503 25.908 1.00 1.00 O ATOM 779 CB VAL A 53 48.419 -4.848 26.153 1.00 1.00 C ATOM 780 CG1 VAL A 53 48.638 -5.225 27.619 1.00 1.00 C ATOM 781 CG2 VAL A 53 47.743 -3.478 26.077 1.00 1.00 C ATOM 0 H VAL A 53 48.650 -3.900 23.895 1.00 1.00 H new ATOM 0 HA VAL A 53 50.457 -4.170 26.007 1.00 1.00 H new ATOM 0 HB VAL A 53 47.785 -5.595 25.676 1.00 1.00 H new ATOM 0 HG11 VAL A 53 47.677 -5.266 28.132 1.00 1.00 H new ATOM 0 HG12 VAL A 53 49.122 -6.200 27.676 1.00 1.00 H new ATOM 0 HG13 VAL A 53 49.272 -4.478 28.096 1.00 1.00 H new ATOM 0 HG21 VAL A 53 46.782 -3.518 26.589 1.00 1.00 H new ATOM 0 HG22 VAL A 53 48.378 -2.732 26.555 1.00 1.00 H new ATOM 0 HG23 VAL A 53 47.587 -3.207 25.033 1.00 1.00 H new ATOM 791 N PHE A 54 49.667 -7.051 24.558 1.00 1.00 N ATOM 792 CA PHE A 54 50.123 -8.424 24.373 1.00 1.00 C ATOM 793 C PHE A 54 51.246 -8.481 23.343 1.00 1.00 C ATOM 794 O PHE A 54 51.227 -9.312 22.434 1.00 1.00 O ATOM 795 CB PHE A 54 48.959 -9.303 23.912 1.00 1.00 C ATOM 796 CG PHE A 54 48.051 -9.591 25.083 1.00 1.00 C ATOM 797 CD1 PHE A 54 48.335 -10.658 25.944 1.00 1.00 C ATOM 798 CD2 PHE A 54 46.925 -8.790 25.309 1.00 1.00 C ATOM 799 CE1 PHE A 54 47.493 -10.926 27.029 1.00 1.00 C ATOM 800 CE2 PHE A 54 46.083 -9.057 26.395 1.00 1.00 C ATOM 801 CZ PHE A 54 46.366 -10.125 27.255 1.00 1.00 C ATOM 0 H PHE A 54 48.806 -6.818 24.063 1.00 1.00 H new ATOM 0 HA PHE A 54 50.501 -8.793 25.326 1.00 1.00 H new ATOM 0 HB2 PHE A 54 48.402 -8.801 23.121 1.00 1.00 H new ATOM 0 HB3 PHE A 54 49.337 -10.236 23.493 1.00 1.00 H new ATOM 0 HD1 PHE A 54 49.205 -11.275 25.771 1.00 1.00 H new ATOM 0 HD2 PHE A 54 46.706 -7.966 24.646 1.00 1.00 H new ATOM 0 HE1 PHE A 54 47.712 -11.750 27.692 1.00 1.00 H new ATOM 0 HE2 PHE A 54 45.215 -8.439 26.570 1.00 1.00 H new ATOM 0 HZ PHE A 54 45.716 -10.331 28.092 1.00 1.00 H new ATOM 811 N ARG A 55 52.225 -7.594 23.491 1.00 1.00 N ATOM 812 CA ARG A 55 53.353 -7.554 22.567 1.00 1.00 C ATOM 813 C ARG A 55 54.591 -6.990 23.257 1.00 1.00 C ATOM 814 O ARG A 55 55.671 -7.574 23.187 1.00 1.00 O ATOM 815 CB ARG A 55 53.002 -6.689 21.354 1.00 1.00 C ATOM 816 CG ARG A 55 53.979 -6.989 20.215 1.00 1.00 C ATOM 817 CD ARG A 55 53.848 -5.914 19.135 1.00 1.00 C ATOM 818 NE ARG A 55 54.989 -5.008 19.181 1.00 1.00 N ATOM 819 CZ ARG A 55 55.239 -4.165 18.186 1.00 1.00 C ATOM 820 NH1 ARG A 55 54.456 -4.137 17.143 1.00 1.00 N ATOM 821 NH2 ARG A 55 56.268 -3.364 18.252 1.00 1.00 N ATOM 0 H ARG A 55 52.261 -6.898 24.236 1.00 1.00 H new ATOM 0 HA ARG A 55 53.567 -8.571 22.238 1.00 1.00 H new ATOM 0 HB2 ARG A 55 51.980 -6.891 21.033 1.00 1.00 H new ATOM 0 HB3 ARG A 55 53.050 -5.633 21.620 1.00 1.00 H new ATOM 0 HG2 ARG A 55 55.000 -7.015 20.595 1.00 1.00 H new ATOM 0 HG3 ARG A 55 53.771 -7.972 19.792 1.00 1.00 H new ATOM 0 HD2 ARG A 55 53.786 -6.382 18.152 1.00 1.00 H new ATOM 0 HD3 ARG A 55 52.924 -5.354 19.280 1.00 1.00 H new ATOM 0 HE ARG A 55 55.607 -5.022 19.993 1.00 1.00 H new ATOM 0 HH11 ARG A 55 53.652 -4.763 17.092 1.00 1.00 H new ATOM 0 HH12 ARG A 55 54.648 -3.490 16.379 1.00 1.00 H new ATOM 0 HH21 ARG A 55 56.880 -3.386 19.068 1.00 1.00 H new ATOM 0 HH22 ARG A 55 56.460 -2.716 17.488 1.00 1.00 H new ATOM 835 N LYS A 56 54.424 -5.851 23.921 1.00 1.00 N ATOM 836 CA LYS A 56 55.536 -5.216 24.621 1.00 1.00 C ATOM 837 C LYS A 56 56.071 -6.130 25.718 1.00 1.00 C ATOM 838 O LYS A 56 57.209 -5.980 26.164 1.00 1.00 O ATOM 839 CB LYS A 56 55.078 -3.891 25.235 1.00 1.00 C ATOM 840 CG LYS A 56 53.843 -4.131 26.105 1.00 1.00 C ATOM 841 CD LYS A 56 54.144 -3.712 27.545 1.00 1.00 C ATOM 842 CE LYS A 56 52.875 -3.842 28.390 1.00 1.00 C ATOM 843 NZ LYS A 56 53.181 -4.607 29.632 1.00 1.00 N ATOM 0 H LYS A 56 53.537 -5.352 23.989 1.00 1.00 H new ATOM 0 HA LYS A 56 56.333 -5.027 23.902 1.00 1.00 H new ATOM 0 HB2 LYS A 56 55.880 -3.459 25.834 1.00 1.00 H new ATOM 0 HB3 LYS A 56 54.847 -3.174 24.447 1.00 1.00 H new ATOM 0 HG2 LYS A 56 52.997 -3.562 25.719 1.00 1.00 H new ATOM 0 HG3 LYS A 56 53.561 -5.183 26.073 1.00 1.00 H new ATOM 0 HD2 LYS A 56 54.935 -4.337 27.959 1.00 1.00 H new ATOM 0 HD3 LYS A 56 54.505 -2.684 27.568 1.00 1.00 H new ATOM 0 HE2 LYS A 56 52.492 -2.854 28.644 1.00 1.00 H new ATOM 0 HE3 LYS A 56 52.096 -4.349 27.820 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 52.319 -4.696 30.207 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 53.528 -5.554 29.380 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 53.911 -4.106 30.178 1.00 1.00 H new ATOM 857 N LYS A 57 55.243 -7.077 26.148 1.00 1.00 N ATOM 858 CA LYS A 57 55.645 -8.011 27.194 1.00 1.00 C ATOM 859 C LYS A 57 57.015 -8.604 26.885 1.00 1.00 C ATOM 860 O LYS A 57 57.702 -9.102 27.778 1.00 1.00 O ATOM 861 CB LYS A 57 54.614 -9.135 27.314 1.00 1.00 C ATOM 862 CG LYS A 57 53.210 -8.535 27.400 1.00 1.00 C ATOM 863 CD LYS A 57 52.465 -9.144 28.589 1.00 1.00 C ATOM 864 CE LYS A 57 51.013 -8.664 28.583 1.00 1.00 C ATOM 865 NZ LYS A 57 50.299 -9.225 29.765 1.00 1.00 N ATOM 0 H LYS A 57 54.298 -7.218 25.792 1.00 1.00 H new ATOM 0 HA LYS A 57 55.702 -7.469 28.138 1.00 1.00 H new ATOM 0 HB2 LYS A 57 54.684 -9.800 26.453 1.00 1.00 H new ATOM 0 HB3 LYS A 57 54.818 -9.737 28.200 1.00 1.00 H new ATOM 0 HG2 LYS A 57 53.272 -7.453 27.512 1.00 1.00 H new ATOM 0 HG3 LYS A 57 52.663 -8.729 26.477 1.00 1.00 H new ATOM 0 HD2 LYS A 57 52.499 -10.232 28.534 1.00 1.00 H new ATOM 0 HD3 LYS A 57 52.950 -8.856 29.522 1.00 1.00 H new ATOM 0 HE2 LYS A 57 50.979 -7.575 28.607 1.00 1.00 H new ATOM 0 HE3 LYS A 57 50.519 -8.978 27.664 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 49.312 -8.899 29.761 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 50.321 -10.264 29.723 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 50.766 -8.904 30.637 1.00 1.00 H new ATOM 879 N GLY A 58 57.406 -8.550 25.617 1.00 1.00 N ATOM 880 CA GLY A 58 58.697 -9.087 25.201 1.00 1.00 C ATOM 881 C GLY A 58 59.013 -8.692 23.762 1.00 1.00 C ATOM 882 O GLY A 58 59.690 -9.427 23.043 1.00 1.00 O ATOM 0 H GLY A 58 56.852 -8.143 24.863 1.00 1.00 H new ATOM 0 HA2 GLY A 58 59.480 -8.718 25.864 1.00 1.00 H new ATOM 0 HA3 GLY A 58 58.689 -10.173 25.291 1.00 1.00 H new ATOM 886 N HIS A 59 58.520 -7.528 23.351 1.00 1.00 N ATOM 887 CA HIS A 59 58.754 -7.042 21.995 1.00 1.00 C ATOM 888 C HIS A 59 58.270 -8.059 20.968 1.00 1.00 C ATOM 889 O HIS A 59 57.185 -7.920 20.404 1.00 1.00 O ATOM 890 CB HIS A 59 60.245 -6.768 21.784 1.00 1.00 C ATOM 891 CG HIS A 59 60.488 -5.283 21.792 1.00 1.00 C ATOM 892 ND1 HIS A 59 61.007 -4.612 20.696 1.00 1.00 N ATOM 893 CD2 HIS A 59 60.289 -4.327 22.757 1.00 1.00 C ATOM 894 CE1 HIS A 59 61.101 -3.311 21.024 1.00 1.00 C ATOM 895 NE2 HIS A 59 60.676 -3.083 22.269 1.00 1.00 N ATOM 0 H HIS A 59 57.959 -6.906 23.933 1.00 1.00 H new ATOM 0 HA HIS A 59 58.194 -6.116 21.862 1.00 1.00 H new ATOM 0 HB2 HIS A 59 60.829 -7.247 22.570 1.00 1.00 H new ATOM 0 HB3 HIS A 59 60.574 -7.196 20.837 1.00 1.00 H new ATOM 0 HD2 HIS A 59 59.893 -4.512 23.744 1.00 1.00 H new ATOM 0 HE1 HIS A 59 61.475 -2.544 20.361 1.00 1.00 H new ATOM 0 HE2 HIS A 59 60.642 -2.188 22.758 1.00 1.00 H new ATOM 903 N HIS A 60 59.081 -9.084 20.729 1.00 1.00 N ATOM 904 CA HIS A 60 58.726 -10.121 19.767 1.00 1.00 C ATOM 905 C HIS A 60 59.111 -11.498 20.296 1.00 1.00 C ATOM 906 O HIS A 60 58.334 -12.448 20.206 1.00 1.00 O ATOM 907 CB HIS A 60 59.439 -9.866 18.437 1.00 1.00 C ATOM 908 CG HIS A 60 58.638 -8.894 17.616 1.00 1.00 C ATOM 909 ND1 HIS A 60 57.953 -9.278 16.475 1.00 1.00 N ATOM 910 CD2 HIS A 60 58.402 -7.548 17.759 1.00 1.00 C ATOM 911 CE1 HIS A 60 57.344 -8.185 15.978 1.00 1.00 C ATOM 912 NE2 HIS A 60 57.585 -7.104 16.724 1.00 1.00 N ATOM 0 H HIS A 60 59.983 -9.219 21.185 1.00 1.00 H new ATOM 0 HA HIS A 60 57.647 -10.092 19.613 1.00 1.00 H new ATOM 0 HB2 HIS A 60 60.438 -9.469 18.618 1.00 1.00 H new ATOM 0 HB3 HIS A 60 59.562 -10.802 17.893 1.00 1.00 H new ATOM 0 HD2 HIS A 60 58.791 -6.929 18.554 1.00 1.00 H new ATOM 0 HE1 HIS A 60 56.735 -8.183 15.086 1.00 1.00 H new ATOM 0 HE2 HIS A 60 57.243 -6.156 16.568 1.00 1.00 H new ATOM 920 N HIS A 61 60.316 -11.598 20.849 1.00 1.00 N ATOM 921 CA HIS A 61 60.796 -12.863 21.392 1.00 1.00 C ATOM 922 C HIS A 61 62.278 -12.766 21.741 1.00 1.00 C ATOM 923 O HIS A 61 63.090 -12.329 20.927 1.00 1.00 O ATOM 924 CB HIS A 61 60.584 -13.986 20.373 1.00 1.00 C ATOM 925 CG HIS A 61 59.372 -14.793 20.754 1.00 1.00 C ATOM 926 ND1 HIS A 61 58.400 -15.147 19.830 1.00 1.00 N ATOM 927 CD2 HIS A 61 58.963 -15.326 21.950 1.00 1.00 C ATOM 928 CE1 HIS A 61 57.464 -15.862 20.480 1.00 1.00 C ATOM 929 NE2 HIS A 61 57.757 -16.001 21.775 1.00 1.00 N ATOM 0 H HIS A 61 60.974 -10.823 20.932 1.00 1.00 H new ATOM 0 HA HIS A 61 60.232 -13.085 22.298 1.00 1.00 H new ATOM 0 HB2 HIS A 61 60.454 -13.566 19.376 1.00 1.00 H new ATOM 0 HB3 HIS A 61 61.464 -14.628 20.336 1.00 1.00 H new ATOM 0 HD2 HIS A 61 59.495 -15.236 22.885 1.00 1.00 H new ATOM 0 HE1 HIS A 61 56.582 -16.274 20.011 1.00 1.00 H new ATOM 0 HE2 HIS A 61 57.215 -16.495 22.484 1.00 1.00 H new ATOM 937 N HIS A 62 62.622 -13.178 22.957 1.00 1.00 N ATOM 938 CA HIS A 62 64.010 -13.133 23.404 1.00 1.00 C ATOM 939 C HIS A 62 64.734 -14.423 23.033 1.00 1.00 C ATOM 940 O HIS A 62 65.205 -14.579 21.906 1.00 1.00 O ATOM 941 CB HIS A 62 64.064 -12.933 24.920 1.00 1.00 C ATOM 942 CG HIS A 62 63.698 -11.513 25.253 1.00 1.00 C ATOM 943 ND1 HIS A 62 63.337 -10.595 24.279 1.00 1.00 N ATOM 944 CD2 HIS A 62 63.632 -10.838 26.446 1.00 1.00 C ATOM 945 CE1 HIS A 62 63.072 -9.429 24.898 1.00 1.00 C ATOM 946 NE2 HIS A 62 63.237 -9.523 26.220 1.00 1.00 N ATOM 0 H HIS A 62 61.965 -13.544 23.646 1.00 1.00 H new ATOM 0 HA HIS A 62 64.505 -12.297 22.910 1.00 1.00 H new ATOM 0 HB2 HIS A 62 63.378 -13.622 25.413 1.00 1.00 H new ATOM 0 HB3 HIS A 62 65.063 -13.159 25.292 1.00 1.00 H new ATOM 0 HD2 HIS A 62 63.853 -11.263 27.414 1.00 1.00 H new ATOM 0 HE1 HIS A 62 62.764 -8.528 24.388 1.00 1.00 H new ATOM 0 HE2 HIS A 62 63.102 -8.789 26.915 1.00 1.00 H new ATOM 954 N HIS A 63 64.820 -15.342 23.988 1.00 1.00 N ATOM 955 CA HIS A 63 65.491 -16.616 23.750 1.00 1.00 C ATOM 956 C HIS A 63 66.806 -16.400 23.009 1.00 1.00 C ATOM 957 O HIS A 63 67.130 -17.129 22.071 1.00 1.00 O ATOM 958 CB HIS A 63 64.586 -17.537 22.929 1.00 1.00 C ATOM 959 CG HIS A 63 64.898 -18.970 23.258 1.00 1.00 C ATOM 960 ND1 HIS A 63 65.309 -19.878 22.294 1.00 1.00 N ATOM 961 CD2 HIS A 63 64.864 -19.669 24.440 1.00 1.00 C ATOM 962 CE1 HIS A 63 65.504 -21.060 22.906 1.00 1.00 C ATOM 963 NE2 HIS A 63 65.248 -20.988 24.216 1.00 1.00 N ATOM 0 H HIS A 63 64.437 -15.231 24.927 1.00 1.00 H new ATOM 0 HA HIS A 63 65.703 -17.079 24.714 1.00 1.00 H new ATOM 0 HB2 HIS A 63 63.539 -17.323 23.145 1.00 1.00 H new ATOM 0 HB3 HIS A 63 64.735 -17.356 21.864 1.00 1.00 H new ATOM 0 HD2 HIS A 63 64.582 -19.258 25.398 1.00 1.00 H new ATOM 0 HE1 HIS A 63 65.828 -21.958 22.401 1.00 1.00 H new ATOM 0 HE2 HIS A 63 65.319 -21.738 24.903 1.00 1.00 H new ATOM 971 N HIS A 64 67.560 -15.392 23.436 1.00 1.00 N ATOM 972 CA HIS A 64 68.839 -15.087 22.806 1.00 1.00 C ATOM 973 C HIS A 64 68.730 -15.200 21.288 1.00 1.00 C ATOM 974 O HIS A 64 69.122 -16.227 20.760 1.00 1.00 O ATOM 975 CB HIS A 64 69.914 -16.049 23.314 1.00 1.00 C ATOM 976 CG HIS A 64 71.272 -15.546 22.907 1.00 1.00 C ATOM 977 ND1 HIS A 64 72.444 -16.153 23.332 1.00 1.00 N ATOM 978 CD2 HIS A 64 71.660 -14.493 22.116 1.00 1.00 C ATOM 979 CE1 HIS A 64 73.472 -15.468 22.799 1.00 1.00 C ATOM 980 NE2 HIS A 64 73.050 -14.446 22.049 1.00 1.00 N ATOM 981 OXT HIS A 64 68.253 -14.258 20.677 1.00 1.00 O ATOM 0 H HIS A 64 67.310 -14.777 24.210 1.00 1.00 H new ATOM 0 HA HIS A 64 69.114 -14.065 23.064 1.00 1.00 H new ATOM 0 HB2 HIS A 64 69.857 -16.135 24.399 1.00 1.00 H new ATOM 0 HB3 HIS A 64 69.747 -17.046 22.906 1.00 1.00 H new ATOM 0 HD2 HIS A 64 70.989 -13.806 21.621 1.00 1.00 H new ATOM 0 HE1 HIS A 64 74.511 -15.714 22.958 1.00 1.00 H new ATOM 0 HE2 HIS A 64 73.623 -13.775 21.537 1.00 1.00 H new TER 989 HIS A 64