USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=16 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 159:sc= -0.064 (180deg=-0.909) USER MOD Single : A 1 MET N :NH3+ -164:sc=-0.00108 (180deg=-0.0905) USER MOD Single : A 9 ASN : amide:sc= -2.96! K(o=-3!,f=-1.6) 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= -3.18! K(o=-3.2!,f=-0.64) USER MOD Single : A 16 GLN : amide:sc= -8.19! K(o=-8.2!,f=-0.78) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot -60:sc= -1.56! USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.316 USER MOD Single : A 25 LYS NZ :NH3+ 150:sc= -3.93! (180deg=-5.26!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -66:sc= 1.03 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= -0.755! USER MOD Single : A 44 THR OG1 : rot -43:sc= 1.05 USER MOD Single : A 46 ASN : amide:sc= -2.15! C(o=-2.2!,f=-5.5!) 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=-0.0032) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HE2:sc= -0.548 K(o=-0.55,f=-2.4) USER MOD Single : A 62 HIS : no HD1:sc= -0.3 X(o=-0.3,f=-0.043) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.0019) USER MOD Single : A 64 HIS : no HD1:sc= -0.553 K(o=-0.55,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 83.952 -24.683 -5.382 1.00 1.00 N ATOM 2 CA MET A 1 82.730 -24.045 -4.813 1.00 1.00 C ATOM 3 C MET A 1 83.079 -22.653 -4.300 1.00 1.00 C ATOM 4 O MET A 1 83.987 -22.491 -3.484 1.00 1.00 O ATOM 5 CB MET A 1 82.197 -24.907 -3.667 1.00 1.00 C ATOM 6 CG MET A 1 81.433 -26.102 -4.239 1.00 1.00 C ATOM 7 SD MET A 1 81.299 -27.393 -2.977 1.00 1.00 S ATOM 8 CE MET A 1 80.384 -26.421 -1.755 1.00 1.00 C ATOM 0 H1 MET A 1 83.678 -25.498 -5.967 1.00 1.00 H new ATOM 0 H2 MET A 1 84.463 -23.993 -5.968 1.00 1.00 H new ATOM 0 H3 MET A 1 84.568 -25.004 -4.608 1.00 1.00 H new ATOM 0 HA MET A 1 81.964 -23.960 -5.584 1.00 1.00 H new ATOM 0 HB2 MET A 1 83.022 -25.254 -3.045 1.00 1.00 H new ATOM 0 HB3 MET A 1 81.542 -24.316 -3.027 1.00 1.00 H new ATOM 0 HG2 MET A 1 80.440 -25.791 -4.563 1.00 1.00 H new ATOM 0 HG3 MET A 1 81.948 -26.490 -5.118 1.00 1.00 H new ATOM 0 HE1 MET A 1 79.872 -27.092 -1.066 1.00 1.00 H new ATOM 0 HE2 MET A 1 81.077 -25.790 -1.199 1.00 1.00 H new ATOM 0 HE3 MET A 1 79.651 -25.795 -2.263 1.00 1.00 H new ATOM 20 N GLU A 2 82.353 -21.651 -4.782 1.00 1.00 N ATOM 21 CA GLU A 2 82.594 -20.275 -4.364 1.00 1.00 C ATOM 22 C GLU A 2 82.422 -20.135 -2.855 1.00 1.00 C ATOM 23 O GLU A 2 81.601 -20.822 -2.248 1.00 1.00 O ATOM 24 CB GLU A 2 81.623 -19.333 -5.080 1.00 1.00 C ATOM 25 CG GLU A 2 80.220 -19.944 -5.071 1.00 1.00 C ATOM 26 CD GLU A 2 79.197 -18.904 -5.514 1.00 1.00 C ATOM 27 OE1 GLU A 2 79.532 -17.731 -5.508 1.00 1.00 O ATOM 28 OE2 GLU A 2 78.092 -19.296 -5.853 1.00 1.00 O ATOM 0 H GLU A 2 81.598 -21.764 -5.458 1.00 1.00 H new ATOM 0 HA GLU A 2 83.618 -20.010 -4.628 1.00 1.00 H new ATOM 0 HB2 GLU A 2 81.611 -18.361 -4.586 1.00 1.00 H new ATOM 0 HB3 GLU A 2 81.952 -19.165 -6.106 1.00 1.00 H new ATOM 0 HG2 GLU A 2 80.186 -20.807 -5.736 1.00 1.00 H new ATOM 0 HG3 GLU A 2 79.977 -20.303 -4.071 1.00 1.00 H new ATOM 35 N GLU A 3 83.203 -19.241 -2.256 1.00 1.00 N ATOM 36 CA GLU A 3 83.128 -19.020 -0.817 1.00 1.00 C ATOM 37 C GLU A 3 82.297 -17.780 -0.507 1.00 1.00 C ATOM 38 O GLU A 3 82.443 -17.171 0.552 1.00 1.00 O ATOM 39 CB GLU A 3 84.536 -18.850 -0.241 1.00 1.00 C ATOM 40 CG GLU A 3 85.291 -20.178 -0.335 1.00 1.00 C ATOM 41 CD GLU A 3 85.413 -20.807 1.048 1.00 1.00 C ATOM 42 OE1 GLU A 3 84.393 -21.207 1.587 1.00 1.00 O ATOM 43 OE2 GLU A 3 86.523 -20.881 1.547 1.00 1.00 O ATOM 0 H GLU A 3 83.889 -18.663 -2.740 1.00 1.00 H new ATOM 0 HA GLU A 3 82.650 -19.887 -0.360 1.00 1.00 H new ATOM 0 HB2 GLU A 3 85.073 -18.075 -0.788 1.00 1.00 H new ATOM 0 HB3 GLU A 3 84.478 -18.525 0.798 1.00 1.00 H new ATOM 0 HG2 GLU A 3 84.767 -20.857 -1.007 1.00 1.00 H new ATOM 0 HG3 GLU A 3 86.282 -20.013 -0.757 1.00 1.00 H new ATOM 50 N GLY A 4 81.425 -17.409 -1.439 1.00 1.00 N ATOM 51 CA GLY A 4 80.575 -16.239 -1.256 1.00 1.00 C ATOM 52 C GLY A 4 81.125 -15.041 -2.022 1.00 1.00 C ATOM 53 O GLY A 4 80.456 -14.494 -2.900 1.00 1.00 O ATOM 0 H GLY A 4 81.289 -17.899 -2.323 1.00 1.00 H new ATOM 0 HA2 GLY A 4 79.564 -16.462 -1.598 1.00 1.00 H new ATOM 0 HA3 GLY A 4 80.506 -15.997 -0.195 1.00 1.00 H new ATOM 57 N GLY A 5 82.345 -14.639 -1.685 1.00 1.00 N ATOM 58 CA GLY A 5 82.975 -13.503 -2.349 1.00 1.00 C ATOM 59 C GLY A 5 83.905 -12.762 -1.395 1.00 1.00 C ATOM 60 O GLY A 5 84.226 -13.258 -0.316 1.00 1.00 O ATOM 0 H GLY A 5 82.914 -15.078 -0.962 1.00 1.00 H new ATOM 0 HA2 GLY A 5 83.538 -13.850 -3.216 1.00 1.00 H new ATOM 0 HA3 GLY A 5 82.208 -12.822 -2.718 1.00 1.00 H new ATOM 64 N ASP A 6 84.334 -11.571 -1.801 1.00 1.00 N ATOM 65 CA ASP A 6 85.228 -10.770 -0.974 1.00 1.00 C ATOM 66 C ASP A 6 84.453 -9.670 -0.257 1.00 1.00 C ATOM 67 O ASP A 6 84.785 -9.295 0.867 1.00 1.00 O ATOM 68 CB ASP A 6 86.321 -10.143 -1.842 1.00 1.00 C ATOM 69 CG ASP A 6 87.694 -10.610 -1.368 1.00 1.00 C ATOM 70 OD1 ASP A 6 87.859 -11.803 -1.177 1.00 1.00 O ATOM 71 OD2 ASP A 6 88.560 -9.766 -1.204 1.00 1.00 O ATOM 0 H ASP A 6 84.079 -11.142 -2.691 1.00 1.00 H new ATOM 0 HA ASP A 6 85.685 -11.422 -0.229 1.00 1.00 H new ATOM 0 HB2 ASP A 6 86.173 -10.421 -2.885 1.00 1.00 H new ATOM 0 HB3 ASP A 6 86.259 -9.056 -1.790 1.00 1.00 H new ATOM 76 N PHE A 7 83.418 -9.156 -0.915 1.00 1.00 N ATOM 77 CA PHE A 7 82.603 -8.099 -0.330 1.00 1.00 C ATOM 78 C PHE A 7 81.132 -8.303 -0.679 1.00 1.00 C ATOM 79 O PHE A 7 80.439 -7.359 -1.060 1.00 1.00 O ATOM 80 CB PHE A 7 83.066 -6.735 -0.846 1.00 1.00 C ATOM 81 CG PHE A 7 84.385 -6.376 -0.204 1.00 1.00 C ATOM 82 CD1 PHE A 7 84.419 -5.927 1.122 1.00 1.00 C ATOM 83 CD2 PHE A 7 85.573 -6.492 -0.936 1.00 1.00 C ATOM 84 CE1 PHE A 7 85.642 -5.593 1.717 1.00 1.00 C ATOM 85 CE2 PHE A 7 86.796 -6.158 -0.341 1.00 1.00 C ATOM 86 CZ PHE A 7 86.830 -5.709 0.985 1.00 1.00 C ATOM 0 H PHE A 7 83.126 -9.452 -1.846 1.00 1.00 H new ATOM 0 HA PHE A 7 82.718 -8.135 0.753 1.00 1.00 H new ATOM 0 HB2 PHE A 7 83.172 -6.761 -1.930 1.00 1.00 H new ATOM 0 HB3 PHE A 7 82.319 -5.975 -0.617 1.00 1.00 H new ATOM 0 HD1 PHE A 7 83.502 -5.838 1.686 1.00 1.00 H new ATOM 0 HD2 PHE A 7 85.546 -6.839 -1.958 1.00 1.00 H new ATOM 0 HE1 PHE A 7 85.669 -5.246 2.739 1.00 1.00 H new ATOM 0 HE2 PHE A 7 87.713 -6.247 -0.905 1.00 1.00 H new ATOM 0 HZ PHE A 7 87.773 -5.452 1.443 1.00 1.00 H new ATOM 96 N ASP A 8 80.664 -9.543 -0.545 1.00 1.00 N ATOM 97 CA ASP A 8 79.273 -9.868 -0.845 1.00 1.00 C ATOM 98 C ASP A 8 78.589 -10.477 0.375 1.00 1.00 C ATOM 99 O ASP A 8 77.823 -11.432 0.257 1.00 1.00 O ATOM 100 CB ASP A 8 79.212 -10.857 -2.013 1.00 1.00 C ATOM 101 CG ASP A 8 79.558 -12.260 -1.528 1.00 1.00 C ATOM 102 OD1 ASP A 8 80.612 -12.418 -0.935 1.00 1.00 O ATOM 103 OD2 ASP A 8 78.762 -13.157 -1.754 1.00 1.00 O ATOM 0 H ASP A 8 81.226 -10.335 -0.232 1.00 1.00 H new ATOM 0 HA ASP A 8 78.754 -8.949 -1.116 1.00 1.00 H new ATOM 0 HB2 ASP A 8 78.215 -10.851 -2.453 1.00 1.00 H new ATOM 0 HB3 ASP A 8 79.907 -10.552 -2.795 1.00 1.00 H new ATOM 108 N ASN A 9 78.872 -9.914 1.545 1.00 1.00 N ATOM 109 CA ASN A 9 78.279 -10.408 2.782 1.00 1.00 C ATOM 110 C ASN A 9 77.853 -9.247 3.673 1.00 1.00 C ATOM 111 O ASN A 9 76.686 -8.855 3.684 1.00 1.00 O ATOM 112 CB ASN A 9 79.285 -11.286 3.530 1.00 1.00 C ATOM 113 CG ASN A 9 79.645 -12.503 2.685 1.00 1.00 C ATOM 114 OD1 ASN A 9 80.759 -13.019 2.781 1.00 1.00 O ATOM 115 ND2 ASN A 9 78.764 -12.995 1.858 1.00 1.00 N ATOM 0 H ASN A 9 79.503 -9.121 1.662 1.00 1.00 H new ATOM 0 HA ASN A 9 77.399 -10.999 2.530 1.00 1.00 H new ATOM 0 HB2 ASN A 9 80.183 -10.712 3.757 1.00 1.00 H new ATOM 0 HB3 ASN A 9 78.863 -11.606 4.482 1.00 1.00 H new ATOM 0 HD21 ASN A 9 78.997 -13.809 1.289 1.00 1.00 H new ATOM 0 HD22 ASN A 9 77.842 -12.566 1.780 1.00 1.00 H new ATOM 122 N TYR A 10 78.807 -8.698 4.420 1.00 1.00 N ATOM 123 CA TYR A 10 78.518 -7.581 5.310 1.00 1.00 C ATOM 124 C TYR A 10 78.296 -6.301 4.511 1.00 1.00 C ATOM 125 O TYR A 10 78.304 -5.202 5.064 1.00 1.00 O ATOM 126 CB TYR A 10 79.678 -7.379 6.287 1.00 1.00 C ATOM 127 CG TYR A 10 79.240 -7.769 7.678 1.00 1.00 C ATOM 128 CD1 TYR A 10 78.561 -6.847 8.483 1.00 1.00 C ATOM 129 CD2 TYR A 10 79.512 -9.055 8.162 1.00 1.00 C ATOM 130 CE1 TYR A 10 78.154 -7.210 9.773 1.00 1.00 C ATOM 131 CE2 TYR A 10 79.104 -9.418 9.452 1.00 1.00 C ATOM 132 CZ TYR A 10 78.425 -8.495 10.257 1.00 1.00 C ATOM 133 OH TYR A 10 78.025 -8.852 11.528 1.00 1.00 O ATOM 0 H TYR A 10 79.779 -9.006 4.426 1.00 1.00 H new ATOM 0 HA TYR A 10 77.609 -7.810 5.866 1.00 1.00 H new ATOM 0 HB2 TYR A 10 80.533 -7.981 5.982 1.00 1.00 H new ATOM 0 HB3 TYR A 10 80.001 -6.338 6.275 1.00 1.00 H new ATOM 0 HD1 TYR A 10 78.351 -5.856 8.109 1.00 1.00 H new ATOM 0 HD2 TYR A 10 80.036 -9.766 7.541 1.00 1.00 H new ATOM 0 HE1 TYR A 10 77.631 -6.498 10.394 1.00 1.00 H new ATOM 0 HE2 TYR A 10 79.313 -10.410 9.826 1.00 1.00 H new ATOM 0 HH TYR A 10 78.290 -9.778 11.706 1.00 1.00 H new ATOM 143 N TYR A 11 78.097 -6.453 3.205 1.00 1.00 N ATOM 144 CA TYR A 11 77.873 -5.302 2.338 1.00 1.00 C ATOM 145 C TYR A 11 76.936 -5.669 1.192 1.00 1.00 C ATOM 146 O TYR A 11 77.383 -6.039 0.106 1.00 1.00 O ATOM 147 CB TYR A 11 79.205 -4.806 1.772 1.00 1.00 C ATOM 148 CG TYR A 11 80.204 -4.655 2.894 1.00 1.00 C ATOM 149 CD1 TYR A 11 80.097 -3.582 3.786 1.00 1.00 C ATOM 150 CD2 TYR A 11 81.238 -5.589 3.042 1.00 1.00 C ATOM 151 CE1 TYR A 11 81.024 -3.443 4.827 1.00 1.00 C ATOM 152 CE2 TYR A 11 82.164 -5.449 4.082 1.00 1.00 C ATOM 153 CZ TYR A 11 82.057 -4.376 4.975 1.00 1.00 C ATOM 154 OH TYR A 11 82.970 -4.238 6.000 1.00 1.00 O ATOM 0 H TYR A 11 78.086 -7.354 2.727 1.00 1.00 H new ATOM 0 HA TYR A 11 77.413 -4.510 2.929 1.00 1.00 H new ATOM 0 HB2 TYR A 11 79.581 -5.509 1.029 1.00 1.00 H new ATOM 0 HB3 TYR A 11 79.064 -3.851 1.265 1.00 1.00 H new ATOM 0 HD1 TYR A 11 79.300 -2.862 3.672 1.00 1.00 H new ATOM 0 HD2 TYR A 11 81.320 -6.417 2.353 1.00 1.00 H new ATOM 0 HE1 TYR A 11 80.942 -2.615 5.516 1.00 1.00 H new ATOM 0 HE2 TYR A 11 82.961 -6.169 4.196 1.00 1.00 H new ATOM 0 HH TYR A 11 83.620 -4.970 5.960 1.00 1.00 H new ATOM 164 N GLY A 12 75.635 -5.564 1.441 1.00 1.00 N ATOM 165 CA GLY A 12 74.643 -5.888 0.422 1.00 1.00 C ATOM 166 C GLY A 12 73.361 -6.412 1.056 1.00 1.00 C ATOM 167 O GLY A 12 72.263 -5.976 0.712 1.00 1.00 O ATOM 0 H GLY A 12 75.245 -5.259 2.333 1.00 1.00 H new ATOM 0 HA2 GLY A 12 74.423 -5.001 -0.172 1.00 1.00 H new ATOM 0 HA3 GLY A 12 75.048 -6.636 -0.260 1.00 1.00 H new ATOM 171 N ALA A 13 73.507 -7.351 1.986 1.00 1.00 N ATOM 172 CA ALA A 13 72.352 -7.928 2.663 1.00 1.00 C ATOM 173 C ALA A 13 72.788 -9.038 3.615 1.00 1.00 C ATOM 174 O ALA A 13 72.643 -10.222 3.311 1.00 1.00 O ATOM 175 CB ALA A 13 71.371 -8.493 1.633 1.00 1.00 C ATOM 0 H ALA A 13 74.407 -7.726 2.286 1.00 1.00 H new ATOM 0 HA ALA A 13 71.862 -7.143 3.239 1.00 1.00 H new ATOM 0 HB1 ALA A 13 70.511 -8.922 2.147 1.00 1.00 H new ATOM 0 HB2 ALA A 13 71.037 -7.693 0.972 1.00 1.00 H new ATOM 0 HB3 ALA A 13 71.866 -9.266 1.045 1.00 1.00 H new ATOM 181 N ASP A 14 73.322 -8.647 4.767 1.00 1.00 N ATOM 182 CA ASP A 14 73.775 -9.617 5.756 1.00 1.00 C ATOM 183 C ASP A 14 72.610 -10.085 6.622 1.00 1.00 C ATOM 184 O ASP A 14 72.262 -11.265 6.627 1.00 1.00 O ATOM 185 CB ASP A 14 74.855 -8.994 6.643 1.00 1.00 C ATOM 186 CG ASP A 14 75.997 -9.982 6.848 1.00 1.00 C ATOM 187 OD1 ASP A 14 76.497 -10.492 5.858 1.00 1.00 O ATOM 188 OD2 ASP A 14 76.356 -10.214 7.989 1.00 1.00 O ATOM 0 H ASP A 14 73.451 -7.672 5.037 1.00 1.00 H new ATOM 0 HA ASP A 14 74.189 -10.477 5.230 1.00 1.00 H new ATOM 0 HB2 ASP A 14 75.232 -8.080 6.183 1.00 1.00 H new ATOM 0 HB3 ASP A 14 74.429 -8.714 7.606 1.00 1.00 H new ATOM 193 N ASN A 15 72.011 -9.151 7.354 1.00 1.00 N ATOM 194 CA ASN A 15 70.884 -9.478 8.220 1.00 1.00 C ATOM 195 C ASN A 15 70.373 -8.228 8.930 1.00 1.00 C ATOM 196 O ASN A 15 70.521 -8.087 10.143 1.00 1.00 O ATOM 197 CB ASN A 15 71.311 -10.517 9.260 1.00 1.00 C ATOM 198 CG ASN A 15 72.690 -10.169 9.809 1.00 1.00 C ATOM 199 OD1 ASN A 15 73.442 -11.057 10.209 1.00 1.00 O ATOM 200 ND2 ASN A 15 73.067 -8.920 9.855 1.00 1.00 N ATOM 0 H ASN A 15 72.285 -8.168 7.365 1.00 1.00 H new ATOM 0 HA ASN A 15 70.083 -9.886 7.604 1.00 1.00 H new ATOM 0 HB2 ASN A 15 70.585 -10.550 10.072 1.00 1.00 H new ATOM 0 HB3 ASN A 15 71.330 -11.509 8.809 1.00 1.00 H new ATOM 0 HD21 ASN A 15 73.987 -8.678 10.223 1.00 1.00 H new ATOM 0 HD22 ASN A 15 72.442 -8.186 9.523 1.00 1.00 H new ATOM 207 N GLN A 16 69.770 -7.325 8.163 1.00 1.00 N ATOM 208 CA GLN A 16 69.239 -6.089 8.729 1.00 1.00 C ATOM 209 C GLN A 16 67.798 -6.284 9.187 1.00 1.00 C ATOM 210 O GLN A 16 67.092 -5.316 9.468 1.00 1.00 O ATOM 211 CB GLN A 16 69.300 -4.970 7.688 1.00 1.00 C ATOM 212 CG GLN A 16 70.690 -4.939 7.050 1.00 1.00 C ATOM 213 CD GLN A 16 70.691 -5.755 5.762 1.00 1.00 C ATOM 214 OE1 GLN A 16 70.296 -5.255 4.710 1.00 1.00 O ATOM 215 NE2 GLN A 16 71.114 -6.990 5.783 1.00 1.00 N ATOM 0 H GLN A 16 69.637 -7.424 7.157 1.00 1.00 H new ATOM 0 HA GLN A 16 69.847 -5.816 9.591 1.00 1.00 H new ATOM 0 HB2 GLN A 16 68.541 -5.130 6.922 1.00 1.00 H new ATOM 0 HB3 GLN A 16 69.083 -4.011 8.157 1.00 1.00 H new ATOM 0 HG2 GLN A 16 70.979 -3.910 6.838 1.00 1.00 H new ATOM 0 HG3 GLN A 16 71.427 -5.341 7.745 1.00 1.00 H new ATOM 0 HE21 GLN A 16 71.441 -7.402 6.657 1.00 1.00 H new ATOM 0 HE22 GLN A 16 71.117 -7.543 4.926 1.00 1.00 H new ATOM 224 N SER A 17 67.370 -7.544 9.253 1.00 1.00 N ATOM 225 CA SER A 17 66.009 -7.869 9.672 1.00 1.00 C ATOM 226 C SER A 17 65.049 -7.733 8.497 1.00 1.00 C ATOM 227 O SER A 17 64.010 -7.079 8.596 1.00 1.00 O ATOM 228 CB SER A 17 65.571 -6.951 10.817 1.00 1.00 C ATOM 229 OG SER A 17 64.677 -7.657 11.668 1.00 1.00 O ATOM 0 H SER A 17 67.945 -8.354 9.022 1.00 1.00 H new ATOM 0 HA SER A 17 65.991 -8.901 10.024 1.00 1.00 H new ATOM 0 HB2 SER A 17 66.440 -6.615 11.382 1.00 1.00 H new ATOM 0 HB3 SER A 17 65.085 -6.060 10.419 1.00 1.00 H new ATOM 0 HG SER A 17 64.395 -7.073 12.403 1.00 1.00 H new ATOM 235 N GLU A 18 65.411 -8.358 7.381 1.00 1.00 N ATOM 236 CA GLU A 18 64.589 -8.307 6.179 1.00 1.00 C ATOM 237 C GLU A 18 64.378 -9.709 5.617 1.00 1.00 C ATOM 238 O GLU A 18 64.736 -9.989 4.473 1.00 1.00 O ATOM 239 CB GLU A 18 65.269 -7.428 5.129 1.00 1.00 C ATOM 240 CG GLU A 18 64.451 -7.445 3.837 1.00 1.00 C ATOM 241 CD GLU A 18 64.327 -6.032 3.279 1.00 1.00 C ATOM 242 OE1 GLU A 18 65.355 -5.417 3.044 1.00 1.00 O ATOM 243 OE2 GLU A 18 63.208 -5.584 3.094 1.00 1.00 O ATOM 0 H GLU A 18 66.267 -8.905 7.285 1.00 1.00 H new ATOM 0 HA GLU A 18 63.618 -7.884 6.436 1.00 1.00 H new ATOM 0 HB2 GLU A 18 65.361 -6.407 5.499 1.00 1.00 H new ATOM 0 HB3 GLU A 18 66.279 -7.790 4.936 1.00 1.00 H new ATOM 0 HG2 GLU A 18 64.929 -8.094 3.103 1.00 1.00 H new ATOM 0 HG3 GLU A 18 63.460 -7.857 4.030 1.00 1.00 H new ATOM 250 N CYS A 19 63.796 -10.585 6.428 1.00 1.00 N ATOM 251 CA CYS A 19 63.542 -11.956 6.000 1.00 1.00 C ATOM 252 C CYS A 19 64.849 -12.736 5.905 1.00 1.00 C ATOM 253 O CYS A 19 64.846 -13.942 5.656 1.00 1.00 O ATOM 254 CB CYS A 19 62.844 -11.958 4.640 1.00 1.00 C ATOM 255 SG CYS A 19 64.046 -12.352 3.346 1.00 1.00 S ATOM 0 H CYS A 19 63.493 -10.373 7.379 1.00 1.00 H new ATOM 0 HA CYS A 19 62.898 -12.435 6.738 1.00 1.00 H new ATOM 0 HB2 CYS A 19 62.036 -12.689 4.635 1.00 1.00 H new ATOM 0 HB3 CYS A 19 62.394 -10.984 4.449 1.00 1.00 H new ATOM 0 HG CYS A 19 64.994 -11.463 3.349 1.00 1.00 H new ATOM 261 N GLU A 20 65.964 -12.042 6.106 1.00 1.00 N ATOM 262 CA GLU A 20 67.274 -12.681 6.039 1.00 1.00 C ATOM 263 C GLU A 20 67.626 -13.321 7.379 1.00 1.00 C ATOM 264 O GLU A 20 68.710 -13.097 7.919 1.00 1.00 O ATOM 265 CB GLU A 20 68.341 -11.649 5.668 1.00 1.00 C ATOM 266 CG GLU A 20 68.095 -11.153 4.242 1.00 1.00 C ATOM 267 CD GLU A 20 69.236 -11.597 3.333 1.00 1.00 C ATOM 268 OE1 GLU A 20 70.379 -11.389 3.703 1.00 1.00 O ATOM 269 OE2 GLU A 20 68.949 -12.140 2.279 1.00 1.00 O ATOM 0 H GLU A 20 65.988 -11.044 6.315 1.00 1.00 H new ATOM 0 HA GLU A 20 67.240 -13.458 5.275 1.00 1.00 H new ATOM 0 HB2 GLU A 20 68.311 -10.812 6.366 1.00 1.00 H new ATOM 0 HB3 GLU A 20 69.334 -12.093 5.744 1.00 1.00 H new ATOM 0 HG2 GLU A 20 67.149 -11.545 3.870 1.00 1.00 H new ATOM 0 HG3 GLU A 20 68.015 -10.066 4.235 1.00 1.00 H new ATOM 276 N TYR A 21 66.704 -14.117 7.909 1.00 1.00 N ATOM 277 CA TYR A 21 66.928 -14.784 9.187 1.00 1.00 C ATOM 278 C TYR A 21 66.074 -16.044 9.290 1.00 1.00 C ATOM 279 O TYR A 21 65.310 -16.211 10.240 1.00 1.00 O ATOM 280 CB TYR A 21 66.584 -13.836 10.338 1.00 1.00 C ATOM 281 CG TYR A 21 67.341 -14.253 11.577 1.00 1.00 C ATOM 282 CD1 TYR A 21 68.714 -13.995 11.678 1.00 1.00 C ATOM 283 CD2 TYR A 21 66.670 -14.896 12.623 1.00 1.00 C ATOM 284 CE1 TYR A 21 69.415 -14.381 12.826 1.00 1.00 C ATOM 285 CE2 TYR A 21 67.373 -15.283 13.772 1.00 1.00 C ATOM 286 CZ TYR A 21 68.745 -15.025 13.873 1.00 1.00 C ATOM 287 OH TYR A 21 69.437 -15.406 15.005 1.00 1.00 O ATOM 0 H TYR A 21 65.801 -14.315 7.478 1.00 1.00 H new ATOM 0 HA TYR A 21 67.979 -15.065 9.250 1.00 1.00 H new ATOM 0 HB2 TYR A 21 66.842 -12.812 10.069 1.00 1.00 H new ATOM 0 HB3 TYR A 21 65.511 -13.855 10.531 1.00 1.00 H new ATOM 0 HD1 TYR A 21 69.231 -13.498 10.870 1.00 1.00 H new ATOM 0 HD2 TYR A 21 65.611 -15.094 12.545 1.00 1.00 H new ATOM 0 HE1 TYR A 21 70.474 -14.182 12.904 1.00 1.00 H new ATOM 0 HE2 TYR A 21 66.856 -15.780 14.579 1.00 1.00 H new ATOM 0 HH TYR A 21 68.823 -15.839 15.634 1.00 1.00 H new ATOM 297 N THR A 22 66.211 -16.926 8.306 1.00 1.00 N ATOM 298 CA THR A 22 65.446 -18.169 8.297 1.00 1.00 C ATOM 299 C THR A 22 63.969 -17.887 8.041 1.00 1.00 C ATOM 300 O THR A 22 63.099 -18.407 8.739 1.00 1.00 O ATOM 301 CB THR A 22 65.606 -18.891 9.636 1.00 1.00 C ATOM 302 OG1 THR A 22 66.895 -18.618 10.168 1.00 1.00 O ATOM 303 CG2 THR A 22 65.446 -20.397 9.428 1.00 1.00 C ATOM 0 H THR A 22 66.838 -16.806 7.511 1.00 1.00 H new ATOM 0 HA THR A 22 65.827 -18.803 7.496 1.00 1.00 H new ATOM 0 HB THR A 22 64.844 -18.540 10.332 1.00 1.00 H new ATOM 0 HG1 THR A 22 66.999 -19.078 11.027 1.00 1.00 H new ATOM 0 HG21 THR A 22 65.560 -20.910 10.383 1.00 1.00 H new ATOM 0 HG22 THR A 22 64.457 -20.605 9.020 1.00 1.00 H new ATOM 0 HG23 THR A 22 66.207 -20.751 8.732 1.00 1.00 H new ATOM 311 N ASP A 23 63.694 -17.060 7.038 1.00 1.00 N ATOM 312 CA ASP A 23 62.318 -16.716 6.700 1.00 1.00 C ATOM 313 C ASP A 23 62.231 -16.197 5.268 1.00 1.00 C ATOM 314 O ASP A 23 61.278 -15.508 4.904 1.00 1.00 O ATOM 315 CB ASP A 23 61.794 -15.649 7.664 1.00 1.00 C ATOM 316 CG ASP A 23 61.527 -16.269 9.031 1.00 1.00 C ATOM 317 OD1 ASP A 23 60.795 -17.242 9.085 1.00 1.00 O ATOM 318 OD2 ASP A 23 62.060 -15.759 10.004 1.00 1.00 O ATOM 0 H ASP A 23 64.400 -16.618 6.449 1.00 1.00 H new ATOM 0 HA ASP A 23 61.708 -17.615 6.786 1.00 1.00 H new ATOM 0 HB2 ASP A 23 62.521 -14.842 7.757 1.00 1.00 H new ATOM 0 HB3 ASP A 23 60.878 -15.209 7.270 1.00 1.00 H new ATOM 323 N TRP A 24 63.234 -16.532 4.462 1.00 1.00 N ATOM 324 CA TRP A 24 63.260 -16.094 3.070 1.00 1.00 C ATOM 325 C TRP A 24 62.827 -17.225 2.144 1.00 1.00 C ATOM 326 O TRP A 24 62.460 -16.992 0.993 1.00 1.00 O ATOM 327 CB TRP A 24 64.670 -15.635 2.695 1.00 1.00 C ATOM 328 CG TRP A 24 65.591 -16.813 2.686 1.00 1.00 C ATOM 329 CD1 TRP A 24 66.043 -17.454 3.789 1.00 1.00 C ATOM 330 CD2 TRP A 24 66.180 -17.499 1.543 1.00 1.00 C ATOM 331 NE1 TRP A 24 66.871 -18.490 3.395 1.00 1.00 N ATOM 332 CE2 TRP A 24 66.986 -18.560 2.021 1.00 1.00 C ATOM 333 CE3 TRP A 24 66.092 -17.307 0.153 1.00 1.00 C ATOM 334 CZ2 TRP A 24 67.682 -19.398 1.150 1.00 1.00 C ATOM 335 CZ3 TRP A 24 66.790 -18.151 -0.726 1.00 1.00 C ATOM 336 CH2 TRP A 24 67.584 -19.194 -0.229 1.00 1.00 C ATOM 0 H TRP A 24 64.033 -17.100 4.745 1.00 1.00 H new ATOM 0 HA TRP A 24 62.565 -15.262 2.957 1.00 1.00 H new ATOM 0 HB2 TRP A 24 64.661 -15.160 1.714 1.00 1.00 H new ATOM 0 HB3 TRP A 24 65.023 -14.889 3.407 1.00 1.00 H new ATOM 0 HD1 TRP A 24 65.798 -17.199 4.809 1.00 1.00 H new ATOM 0 HE1 TRP A 24 67.340 -19.125 4.041 1.00 1.00 H new ATOM 0 HE3 TRP A 24 65.484 -16.506 -0.241 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 68.293 -20.199 1.539 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 66.715 -17.996 -1.792 1.00 1.00 H new ATOM 0 HH2 TRP A 24 68.119 -19.839 -0.911 1.00 1.00 H new ATOM 347 N LYS A 25 62.874 -18.451 2.655 1.00 1.00 N ATOM 348 CA LYS A 25 62.484 -19.612 1.863 1.00 1.00 C ATOM 349 C LYS A 25 61.074 -20.062 2.230 1.00 1.00 C ATOM 350 O LYS A 25 60.664 -21.177 1.906 1.00 1.00 O ATOM 351 CB LYS A 25 63.467 -20.764 2.097 1.00 1.00 C ATOM 352 CG LYS A 25 63.957 -20.745 3.547 1.00 1.00 C ATOM 353 CD LYS A 25 62.758 -20.805 4.497 1.00 1.00 C ATOM 354 CE LYS A 25 63.236 -21.193 5.898 1.00 1.00 C ATOM 355 NZ LYS A 25 64.368 -20.309 6.299 1.00 1.00 N ATOM 0 H LYS A 25 63.175 -18.666 3.606 1.00 1.00 H new ATOM 0 HA LYS A 25 62.502 -19.330 0.810 1.00 1.00 H new ATOM 0 HB2 LYS A 25 62.983 -21.716 1.880 1.00 1.00 H new ATOM 0 HB3 LYS A 25 64.314 -20.675 1.417 1.00 1.00 H new ATOM 0 HG2 LYS A 25 64.620 -21.591 3.728 1.00 1.00 H new ATOM 0 HG3 LYS A 25 64.536 -19.841 3.734 1.00 1.00 H new ATOM 0 HD2 LYS A 25 62.256 -19.838 4.527 1.00 1.00 H new ATOM 0 HD3 LYS A 25 62.030 -21.531 4.135 1.00 1.00 H new ATOM 0 HE2 LYS A 25 62.418 -21.100 6.612 1.00 1.00 H new ATOM 0 HE3 LYS A 25 63.553 -22.236 5.910 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 64.368 -20.192 7.332 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 65.267 -20.738 6.000 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 64.260 -19.380 5.845 1.00 1.00 H new ATOM 369 N SER A 26 60.336 -19.188 2.907 1.00 1.00 N ATOM 370 CA SER A 26 58.972 -19.507 3.312 1.00 1.00 C ATOM 371 C SER A 26 58.230 -18.244 3.737 1.00 1.00 C ATOM 372 O SER A 26 57.452 -17.681 2.966 1.00 1.00 O ATOM 373 CB SER A 26 58.991 -20.504 4.471 1.00 1.00 C ATOM 374 OG SER A 26 57.662 -20.723 4.923 1.00 1.00 O ATOM 0 H SER A 26 60.656 -18.260 3.185 1.00 1.00 H new ATOM 0 HA SER A 26 58.455 -19.950 2.461 1.00 1.00 H new ATOM 0 HB2 SER A 26 59.438 -21.445 4.149 1.00 1.00 H new ATOM 0 HB3 SER A 26 59.606 -20.121 5.285 1.00 1.00 H new ATOM 0 HG SER A 26 57.670 -21.363 5.665 1.00 1.00 H new ATOM 380 N SER A 27 58.475 -17.806 4.967 1.00 1.00 N ATOM 381 CA SER A 27 57.823 -16.608 5.483 1.00 1.00 C ATOM 382 C SER A 27 58.410 -15.357 4.836 1.00 1.00 C ATOM 383 O SER A 27 58.579 -14.328 5.491 1.00 1.00 O ATOM 384 CB SER A 27 57.999 -16.530 6.999 1.00 1.00 C ATOM 385 OG SER A 27 57.586 -15.249 7.456 1.00 1.00 O ATOM 0 H SER A 27 59.115 -18.258 5.620 1.00 1.00 H new ATOM 0 HA SER A 27 56.761 -16.663 5.243 1.00 1.00 H new ATOM 0 HB2 SER A 27 57.411 -17.309 7.485 1.00 1.00 H new ATOM 0 HB3 SER A 27 59.042 -16.705 7.265 1.00 1.00 H new ATOM 0 HG SER A 27 58.189 -14.564 7.098 1.00 1.00 H new ATOM 391 N GLY A 28 58.716 -15.453 3.546 1.00 1.00 N ATOM 392 CA GLY A 28 59.282 -14.323 2.819 1.00 1.00 C ATOM 393 C GLY A 28 58.776 -14.293 1.381 1.00 1.00 C ATOM 394 O GLY A 28 59.430 -13.744 0.494 1.00 1.00 O ATOM 0 H GLY A 28 58.583 -16.295 2.986 1.00 1.00 H new ATOM 0 HA2 GLY A 28 59.017 -13.393 3.321 1.00 1.00 H new ATOM 0 HA3 GLY A 28 60.370 -14.390 2.825 1.00 1.00 H new ATOM 398 N ALA A 29 57.608 -14.886 1.159 1.00 1.00 N ATOM 399 CA ALA A 29 57.021 -14.921 -0.176 1.00 1.00 C ATOM 400 C ALA A 29 55.500 -14.955 -0.089 1.00 1.00 C ATOM 401 O ALA A 29 54.811 -14.977 -1.110 1.00 1.00 O ATOM 402 CB ALA A 29 57.519 -16.154 -0.933 1.00 1.00 C ATOM 0 H ALA A 29 57.052 -15.346 1.880 1.00 1.00 H new ATOM 0 HA ALA A 29 57.324 -14.021 -0.711 1.00 1.00 H new ATOM 0 HB1 ALA A 29 57.076 -16.173 -1.929 1.00 1.00 H new ATOM 0 HB2 ALA A 29 58.605 -16.114 -1.019 1.00 1.00 H new ATOM 0 HB3 ALA A 29 57.231 -17.055 -0.391 1.00 1.00 H new ATOM 408 N LEU A 30 54.982 -14.958 1.135 1.00 1.00 N ATOM 409 CA LEU A 30 53.539 -14.990 1.347 1.00 1.00 C ATOM 410 C LEU A 30 53.132 -13.977 2.413 1.00 1.00 C ATOM 411 O LEU A 30 51.962 -13.613 2.521 1.00 1.00 O ATOM 412 CB LEU A 30 53.104 -16.391 1.780 1.00 1.00 C ATOM 413 CG LEU A 30 53.549 -17.410 0.731 1.00 1.00 C ATOM 414 CD1 LEU A 30 54.873 -18.044 1.163 1.00 1.00 C ATOM 415 CD2 LEU A 30 52.484 -18.501 0.597 1.00 1.00 C ATOM 0 H LEU A 30 55.536 -14.939 1.991 1.00 1.00 H new ATOM 0 HA LEU A 30 53.048 -14.732 0.409 1.00 1.00 H new ATOM 0 HB2 LEU A 30 53.540 -16.636 2.748 1.00 1.00 H new ATOM 0 HB3 LEU A 30 52.021 -16.426 1.900 1.00 1.00 H new ATOM 0 HG LEU A 30 53.681 -16.909 -0.228 1.00 1.00 H new ATOM 0 HD11 LEU A 30 55.190 -18.770 0.415 1.00 1.00 H new ATOM 0 HD12 LEU A 30 55.633 -17.269 1.261 1.00 1.00 H new ATOM 0 HD13 LEU A 30 54.741 -18.545 2.122 1.00 1.00 H new ATOM 0 HD21 LEU A 30 52.800 -19.228 -0.151 1.00 1.00 H new ATOM 0 HD22 LEU A 30 52.353 -19.001 1.557 1.00 1.00 H new ATOM 0 HD23 LEU A 30 51.540 -18.052 0.290 1.00 1.00 H new ATOM 427 N ILE A 31 54.106 -13.526 3.196 1.00 1.00 N ATOM 428 CA ILE A 31 53.837 -12.554 4.249 1.00 1.00 C ATOM 429 C ILE A 31 53.543 -11.167 3.663 1.00 1.00 C ATOM 430 O ILE A 31 52.700 -10.442 4.191 1.00 1.00 O ATOM 431 CB ILE A 31 55.026 -12.493 5.223 1.00 1.00 C ATOM 432 CG1 ILE A 31 54.772 -13.460 6.382 1.00 1.00 C ATOM 433 CG2 ILE A 31 55.193 -11.075 5.784 1.00 1.00 C ATOM 434 CD1 ILE A 31 54.531 -14.866 5.829 1.00 1.00 C ATOM 0 H ILE A 31 55.081 -13.815 3.123 1.00 1.00 H new ATOM 0 HA ILE A 31 52.950 -12.875 4.795 1.00 1.00 H new ATOM 0 HB ILE A 31 55.934 -12.770 4.687 1.00 1.00 H new ATOM 0 HG12 ILE A 31 55.626 -13.465 7.059 1.00 1.00 H new ATOM 0 HG13 ILE A 31 53.908 -13.132 6.961 1.00 1.00 H new ATOM 0 HG21 ILE A 31 56.039 -11.053 6.471 1.00 1.00 H new ATOM 0 HG22 ILE A 31 55.372 -10.378 4.965 1.00 1.00 H new ATOM 0 HG23 ILE A 31 54.287 -10.785 6.315 1.00 1.00 H new ATOM 0 HD11 ILE A 31 54.350 -15.555 6.654 1.00 1.00 H new ATOM 0 HD12 ILE A 31 53.663 -14.854 5.169 1.00 1.00 H new ATOM 0 HD13 ILE A 31 55.408 -15.192 5.269 1.00 1.00 H new ATOM 446 N PRO A 32 54.206 -10.776 2.597 1.00 1.00 N ATOM 447 CA PRO A 32 53.986 -9.450 1.968 1.00 1.00 C ATOM 448 C PRO A 32 52.857 -9.480 0.940 1.00 1.00 C ATOM 449 O PRO A 32 52.827 -8.670 0.014 1.00 1.00 O ATOM 450 CB PRO A 32 55.327 -9.157 1.300 1.00 1.00 C ATOM 451 CG PRO A 32 55.914 -10.495 0.969 1.00 1.00 C ATOM 452 CD PRO A 32 55.235 -11.537 1.869 1.00 1.00 C ATOM 0 HA PRO A 32 53.684 -8.692 2.690 1.00 1.00 H new ATOM 0 HB2 PRO A 32 55.194 -8.554 0.402 1.00 1.00 H new ATOM 0 HB3 PRO A 32 55.982 -8.596 1.966 1.00 1.00 H new ATOM 0 HG2 PRO A 32 55.753 -10.734 -0.082 1.00 1.00 H new ATOM 0 HG3 PRO A 32 56.992 -10.491 1.133 1.00 1.00 H new ATOM 0 HD2 PRO A 32 54.793 -12.342 1.282 1.00 1.00 H new ATOM 0 HD3 PRO A 32 55.948 -11.996 2.553 1.00 1.00 H new ATOM 460 N ALA A 33 51.932 -10.421 1.115 1.00 1.00 N ATOM 461 CA ALA A 33 50.804 -10.555 0.200 1.00 1.00 C ATOM 462 C ALA A 33 49.492 -10.638 0.974 1.00 1.00 C ATOM 463 O ALA A 33 48.537 -9.922 0.673 1.00 1.00 O ATOM 464 CB ALA A 33 50.973 -11.813 -0.655 1.00 1.00 C ATOM 0 H ALA A 33 51.942 -11.098 1.878 1.00 1.00 H new ATOM 0 HA ALA A 33 50.777 -9.677 -0.445 1.00 1.00 H new ATOM 0 HB1 ALA A 33 50.127 -11.907 -1.336 1.00 1.00 H new ATOM 0 HB2 ALA A 33 51.896 -11.740 -1.231 1.00 1.00 H new ATOM 0 HB3 ALA A 33 51.017 -12.689 -0.008 1.00 1.00 H new ATOM 470 N ILE A 34 49.452 -11.515 1.972 1.00 1.00 N ATOM 471 CA ILE A 34 48.249 -11.680 2.781 1.00 1.00 C ATOM 472 C ILE A 34 48.373 -10.912 4.092 1.00 1.00 C ATOM 473 O ILE A 34 47.380 -10.422 4.632 1.00 1.00 O ATOM 474 CB ILE A 34 48.018 -13.163 3.076 1.00 1.00 C ATOM 475 CG1 ILE A 34 49.324 -13.798 3.561 1.00 1.00 C ATOM 476 CG2 ILE A 34 47.552 -13.872 1.803 1.00 1.00 C ATOM 477 CD1 ILE A 34 49.060 -14.593 4.841 1.00 1.00 C ATOM 0 H ILE A 34 50.231 -12.117 2.239 1.00 1.00 H new ATOM 0 HA ILE A 34 47.402 -11.284 2.221 1.00 1.00 H new ATOM 0 HB ILE A 34 47.255 -13.263 3.848 1.00 1.00 H new ATOM 0 HG12 ILE A 34 49.730 -14.453 2.791 1.00 1.00 H new ATOM 0 HG13 ILE A 34 50.069 -13.025 3.748 1.00 1.00 H new ATOM 0 HG21 ILE A 34 47.388 -14.929 2.014 1.00 1.00 H new ATOM 0 HG22 ILE A 34 46.622 -13.422 1.456 1.00 1.00 H new ATOM 0 HG23 ILE A 34 48.314 -13.771 1.030 1.00 1.00 H new ATOM 0 HD11 ILE A 34 49.990 -15.045 5.187 1.00 1.00 H new ATOM 0 HD12 ILE A 34 48.673 -13.925 5.611 1.00 1.00 H new ATOM 0 HD13 ILE A 34 48.329 -15.376 4.639 1.00 1.00 H new ATOM 489 N TYR A 35 49.597 -10.808 4.600 1.00 1.00 N ATOM 490 CA TYR A 35 49.836 -10.095 5.849 1.00 1.00 C ATOM 491 C TYR A 35 49.895 -8.591 5.604 1.00 1.00 C ATOM 492 O TYR A 35 50.585 -7.862 6.317 1.00 1.00 O ATOM 493 CB TYR A 35 51.150 -10.565 6.477 1.00 1.00 C ATOM 494 CG TYR A 35 50.947 -10.795 7.955 1.00 1.00 C ATOM 495 CD1 TYR A 35 50.208 -11.900 8.396 1.00 1.00 C ATOM 496 CD2 TYR A 35 51.497 -9.904 8.885 1.00 1.00 C ATOM 497 CE1 TYR A 35 50.019 -12.113 9.767 1.00 1.00 C ATOM 498 CE2 TYR A 35 51.308 -10.118 10.255 1.00 1.00 C ATOM 499 CZ TYR A 35 50.569 -11.222 10.697 1.00 1.00 C ATOM 500 OH TYR A 35 50.383 -11.432 12.048 1.00 1.00 O ATOM 0 H TYR A 35 50.432 -11.205 4.170 1.00 1.00 H new ATOM 0 HA TYR A 35 49.013 -10.308 6.531 1.00 1.00 H new ATOM 0 HB2 TYR A 35 51.486 -11.484 5.998 1.00 1.00 H new ATOM 0 HB3 TYR A 35 51.929 -9.819 6.318 1.00 1.00 H new ATOM 0 HD1 TYR A 35 49.784 -12.587 7.679 1.00 1.00 H new ATOM 0 HD2 TYR A 35 52.067 -9.052 8.545 1.00 1.00 H new ATOM 0 HE1 TYR A 35 49.449 -12.965 10.107 1.00 1.00 H new ATOM 0 HE2 TYR A 35 51.733 -9.431 10.972 1.00 1.00 H new ATOM 0 HH TYR A 35 50.831 -10.722 12.554 1.00 1.00 H new ATOM 510 N MET A 36 49.167 -8.133 4.590 1.00 1.00 N ATOM 511 CA MET A 36 49.143 -6.713 4.258 1.00 1.00 C ATOM 512 C MET A 36 47.718 -6.257 3.963 1.00 1.00 C ATOM 513 O MET A 36 47.221 -5.308 4.572 1.00 1.00 O ATOM 514 CB MET A 36 50.027 -6.447 3.038 1.00 1.00 C ATOM 515 CG MET A 36 51.378 -7.142 3.227 1.00 1.00 C ATOM 516 SD MET A 36 52.653 -6.243 2.309 1.00 1.00 S ATOM 517 CE MET A 36 53.608 -5.683 3.740 1.00 1.00 C ATOM 0 H MET A 36 48.590 -8.720 3.988 1.00 1.00 H new ATOM 0 HA MET A 36 49.524 -6.153 5.112 1.00 1.00 H new ATOM 0 HB2 MET A 36 49.540 -6.815 2.135 1.00 1.00 H new ATOM 0 HB3 MET A 36 50.172 -5.375 2.907 1.00 1.00 H new ATOM 0 HG2 MET A 36 51.635 -7.179 4.286 1.00 1.00 H new ATOM 0 HG3 MET A 36 51.321 -8.173 2.877 1.00 1.00 H new ATOM 0 HE1 MET A 36 54.461 -5.096 3.401 1.00 1.00 H new ATOM 0 HE2 MET A 36 52.976 -5.068 4.381 1.00 1.00 H new ATOM 0 HE3 MET A 36 53.962 -6.547 4.302 1.00 1.00 H new ATOM 527 N LEU A 37 47.065 -6.937 3.026 1.00 1.00 N ATOM 528 CA LEU A 37 45.696 -6.591 2.659 1.00 1.00 C ATOM 529 C LEU A 37 44.751 -6.828 3.834 1.00 1.00 C ATOM 530 O LEU A 37 43.540 -6.646 3.713 1.00 1.00 O ATOM 531 CB LEU A 37 45.247 -7.433 1.463 1.00 1.00 C ATOM 532 CG LEU A 37 46.355 -7.452 0.409 1.00 1.00 C ATOM 533 CD1 LEU A 37 45.857 -8.176 -0.843 1.00 1.00 C ATOM 534 CD2 LEU A 37 46.738 -6.015 0.046 1.00 1.00 C ATOM 0 H LEU A 37 47.458 -7.725 2.510 1.00 1.00 H new ATOM 0 HA LEU A 37 45.667 -5.535 2.391 1.00 1.00 H new ATOM 0 HB2 LEU A 37 45.019 -8.449 1.785 1.00 1.00 H new ATOM 0 HB3 LEU A 37 44.332 -7.021 1.037 1.00 1.00 H new ATOM 0 HG LEU A 37 47.226 -7.972 0.808 1.00 1.00 H new ATOM 0 HD11 LEU A 37 46.647 -8.189 -1.594 1.00 1.00 H new ATOM 0 HD12 LEU A 37 45.583 -9.199 -0.587 1.00 1.00 H new ATOM 0 HD13 LEU A 37 44.986 -7.656 -1.242 1.00 1.00 H new ATOM 0 HD21 LEU A 37 47.528 -6.028 -0.705 1.00 1.00 H new ATOM 0 HD22 LEU A 37 45.866 -5.496 -0.352 1.00 1.00 H new ATOM 0 HD23 LEU A 37 47.093 -5.497 0.937 1.00 1.00 H new ATOM 546 N VAL A 38 45.314 -7.232 4.968 1.00 1.00 N ATOM 547 CA VAL A 38 44.512 -7.490 6.158 1.00 1.00 C ATOM 548 C VAL A 38 45.196 -6.925 7.398 1.00 1.00 C ATOM 549 O VAL A 38 44.546 -6.648 8.406 1.00 1.00 O ATOM 550 CB VAL A 38 44.302 -8.995 6.330 1.00 1.00 C ATOM 551 CG1 VAL A 38 43.110 -9.242 7.258 1.00 1.00 C ATOM 552 CG2 VAL A 38 44.025 -9.630 4.967 1.00 1.00 C ATOM 0 H VAL A 38 46.315 -7.387 5.088 1.00 1.00 H new ATOM 0 HA VAL A 38 43.546 -7.000 6.035 1.00 1.00 H new ATOM 0 HB VAL A 38 45.198 -9.439 6.763 1.00 1.00 H new ATOM 0 HG11 VAL A 38 42.960 -10.315 7.380 1.00 1.00 H new ATOM 0 HG12 VAL A 38 43.306 -8.790 8.230 1.00 1.00 H new ATOM 0 HG13 VAL A 38 42.214 -8.798 6.825 1.00 1.00 H new ATOM 0 HG21 VAL A 38 43.875 -10.703 5.089 1.00 1.00 H new ATOM 0 HG22 VAL A 38 43.129 -9.185 4.534 1.00 1.00 H new ATOM 0 HG23 VAL A 38 44.873 -9.455 4.305 1.00 1.00 H new ATOM 562 N PHE A 39 46.513 -6.757 7.318 1.00 1.00 N ATOM 563 CA PHE A 39 47.275 -6.224 8.441 1.00 1.00 C ATOM 564 C PHE A 39 47.334 -4.701 8.373 1.00 1.00 C ATOM 565 O PHE A 39 48.354 -4.095 8.700 1.00 1.00 O ATOM 566 CB PHE A 39 48.695 -6.793 8.425 1.00 1.00 C ATOM 567 CG PHE A 39 49.366 -6.509 9.748 1.00 1.00 C ATOM 568 CD1 PHE A 39 49.024 -7.257 10.882 1.00 1.00 C ATOM 569 CD2 PHE A 39 50.331 -5.498 9.841 1.00 1.00 C ATOM 570 CE1 PHE A 39 49.647 -6.995 12.107 1.00 1.00 C ATOM 571 CE2 PHE A 39 50.953 -5.237 11.067 1.00 1.00 C ATOM 572 CZ PHE A 39 50.611 -5.984 12.200 1.00 1.00 C ATOM 0 H PHE A 39 47.070 -6.981 6.494 1.00 1.00 H new ATOM 0 HA PHE A 39 46.777 -6.516 9.366 1.00 1.00 H new ATOM 0 HB2 PHE A 39 48.666 -7.867 8.243 1.00 1.00 H new ATOM 0 HB3 PHE A 39 49.268 -6.347 7.612 1.00 1.00 H new ATOM 0 HD1 PHE A 39 48.279 -8.036 10.811 1.00 1.00 H new ATOM 0 HD2 PHE A 39 50.595 -4.920 8.967 1.00 1.00 H new ATOM 0 HE1 PHE A 39 49.384 -7.573 12.981 1.00 1.00 H new ATOM 0 HE2 PHE A 39 51.698 -4.458 11.139 1.00 1.00 H new ATOM 0 HZ PHE A 39 51.091 -5.781 13.146 1.00 1.00 H new ATOM 582 N LEU A 40 46.233 -4.090 7.945 1.00 1.00 N ATOM 583 CA LEU A 40 46.170 -2.637 7.836 1.00 1.00 C ATOM 584 C LEU A 40 44.842 -2.117 8.376 1.00 1.00 C ATOM 585 O LEU A 40 44.657 -0.910 8.535 1.00 1.00 O ATOM 586 CB LEU A 40 46.329 -2.215 6.374 1.00 1.00 C ATOM 587 CG LEU A 40 47.709 -1.587 6.167 1.00 1.00 C ATOM 588 CD1 LEU A 40 47.979 -1.431 4.670 1.00 1.00 C ATOM 589 CD2 LEU A 40 47.752 -0.211 6.837 1.00 1.00 C ATOM 0 H LEU A 40 45.379 -4.574 7.670 1.00 1.00 H new ATOM 0 HA LEU A 40 46.981 -2.212 8.427 1.00 1.00 H new ATOM 0 HB2 LEU A 40 46.210 -3.079 5.721 1.00 1.00 H new ATOM 0 HB3 LEU A 40 45.550 -1.502 6.104 1.00 1.00 H new ATOM 0 HG LEU A 40 48.469 -2.231 6.610 1.00 1.00 H new ATOM 0 HD11 LEU A 40 48.962 -0.984 4.522 1.00 1.00 H new ATOM 0 HD12 LEU A 40 47.950 -2.410 4.191 1.00 1.00 H new ATOM 0 HD13 LEU A 40 47.218 -0.788 4.228 1.00 1.00 H new ATOM 0 HD21 LEU A 40 48.735 0.235 6.689 1.00 1.00 H new ATOM 0 HD22 LEU A 40 46.991 0.433 6.395 1.00 1.00 H new ATOM 0 HD23 LEU A 40 47.560 -0.320 7.904 1.00 1.00 H new ATOM 601 N LEU A 41 43.922 -3.037 8.656 1.00 1.00 N ATOM 602 CA LEU A 41 42.610 -2.668 9.180 1.00 1.00 C ATOM 603 C LEU A 41 42.457 -3.144 10.620 1.00 1.00 C ATOM 604 O LEU A 41 41.933 -2.423 11.470 1.00 1.00 O ATOM 605 CB LEU A 41 41.511 -3.288 8.316 1.00 1.00 C ATOM 606 CG LEU A 41 41.840 -3.074 6.838 1.00 1.00 C ATOM 607 CD1 LEU A 41 40.717 -3.655 5.976 1.00 1.00 C ATOM 608 CD2 LEU A 41 41.973 -1.576 6.558 1.00 1.00 C ATOM 0 H LEU A 41 44.060 -4.040 8.529 1.00 1.00 H new ATOM 0 HA LEU A 41 42.521 -1.582 9.157 1.00 1.00 H new ATOM 0 HB2 LEU A 41 41.424 -4.353 8.529 1.00 1.00 H new ATOM 0 HB3 LEU A 41 40.548 -2.836 8.554 1.00 1.00 H new ATOM 0 HG LEU A 41 42.778 -3.574 6.598 1.00 1.00 H new ATOM 0 HD11 LEU A 41 40.951 -3.503 4.922 1.00 1.00 H new ATOM 0 HD12 LEU A 41 40.620 -4.722 6.176 1.00 1.00 H new ATOM 0 HD13 LEU A 41 39.779 -3.155 6.215 1.00 1.00 H new ATOM 0 HD21 LEU A 41 42.208 -1.422 5.505 1.00 1.00 H new ATOM 0 HD22 LEU A 41 41.034 -1.076 6.797 1.00 1.00 H new ATOM 0 HD23 LEU A 41 42.772 -1.161 7.172 1.00 1.00 H new ATOM 620 N GLY A 42 42.917 -4.362 10.887 1.00 1.00 N ATOM 621 CA GLY A 42 42.825 -4.925 12.229 1.00 1.00 C ATOM 622 C GLY A 42 43.766 -4.203 13.186 1.00 1.00 C ATOM 623 O GLY A 42 43.794 -4.493 14.383 1.00 1.00 O ATOM 0 H GLY A 42 43.354 -4.974 10.198 1.00 1.00 H new ATOM 0 HA2 GLY A 42 41.800 -4.846 12.592 1.00 1.00 H new ATOM 0 HA3 GLY A 42 43.072 -5.986 12.201 1.00 1.00 H new ATOM 627 N THR A 43 44.536 -3.259 12.653 1.00 1.00 N ATOM 628 CA THR A 43 45.476 -2.501 13.471 1.00 1.00 C ATOM 629 C THR A 43 45.446 -1.024 13.089 1.00 1.00 C ATOM 630 O THR A 43 44.550 -0.288 13.504 1.00 1.00 O ATOM 631 CB THR A 43 46.892 -3.050 13.285 1.00 1.00 C ATOM 632 OG1 THR A 43 47.836 -2.059 13.667 1.00 1.00 O ATOM 633 CG2 THR A 43 47.107 -3.424 11.817 1.00 1.00 C ATOM 0 H THR A 43 44.528 -3.002 11.666 1.00 1.00 H new ATOM 0 HA THR A 43 45.183 -2.601 14.516 1.00 1.00 H new ATOM 0 HB THR A 43 47.024 -3.936 13.906 1.00 1.00 H new ATOM 0 HG1 THR A 43 48.744 -2.410 13.550 1.00 1.00 H new ATOM 0 HG21 THR A 43 48.116 -3.815 11.685 1.00 1.00 H new ATOM 0 HG22 THR A 43 46.382 -4.184 11.525 1.00 1.00 H new ATOM 0 HG23 THR A 43 46.976 -2.540 11.193 1.00 1.00 H new ATOM 641 N THR A 44 46.433 -0.606 12.296 1.00 1.00 N ATOM 642 CA THR A 44 46.534 0.783 11.848 1.00 1.00 C ATOM 643 C THR A 44 46.026 1.747 12.918 1.00 1.00 C ATOM 644 O THR A 44 45.389 2.753 12.608 1.00 1.00 O ATOM 645 CB THR A 44 45.739 0.983 10.551 1.00 1.00 C ATOM 646 OG1 THR A 44 45.765 2.357 10.193 1.00 1.00 O ATOM 647 CG2 THR A 44 44.289 0.535 10.746 1.00 1.00 C ATOM 0 H THR A 44 47.177 -1.212 11.950 1.00 1.00 H new ATOM 0 HA THR A 44 47.586 0.998 11.663 1.00 1.00 H new ATOM 0 HB THR A 44 46.191 0.385 9.759 1.00 1.00 H new ATOM 0 HG1 THR A 44 45.615 2.906 10.991 1.00 1.00 H new ATOM 0 HG21 THR A 44 43.735 0.682 9.819 1.00 1.00 H new ATOM 0 HG22 THR A 44 44.268 -0.520 11.018 1.00 1.00 H new ATOM 0 HG23 THR A 44 43.830 1.124 11.540 1.00 1.00 H new ATOM 655 N GLY A 45 46.315 1.431 14.176 1.00 1.00 N ATOM 656 CA GLY A 45 45.884 2.276 15.284 1.00 1.00 C ATOM 657 C GLY A 45 45.453 1.432 16.478 1.00 1.00 C ATOM 658 O GLY A 45 46.054 1.503 17.550 1.00 1.00 O ATOM 0 H GLY A 45 46.842 0.603 14.453 1.00 1.00 H new ATOM 0 HA2 GLY A 45 46.697 2.940 15.578 1.00 1.00 H new ATOM 0 HA3 GLY A 45 45.056 2.909 14.963 1.00 1.00 H new ATOM 662 N ASN A 46 44.408 0.634 16.286 1.00 1.00 N ATOM 663 CA ASN A 46 43.904 -0.219 17.356 1.00 1.00 C ATOM 664 C ASN A 46 44.818 -1.426 17.554 1.00 1.00 C ATOM 665 O ASN A 46 44.477 -2.362 18.278 1.00 1.00 O ATOM 666 CB ASN A 46 42.490 -0.698 17.022 1.00 1.00 C ATOM 667 CG ASN A 46 42.506 -1.511 15.731 1.00 1.00 C ATOM 668 OD1 ASN A 46 42.574 -0.945 14.640 1.00 1.00 O ATOM 669 ND2 ASN A 46 42.446 -2.813 15.792 1.00 1.00 N ATOM 0 H ASN A 46 43.897 0.560 15.406 1.00 1.00 H new ATOM 0 HA ASN A 46 43.882 0.362 18.278 1.00 1.00 H new ATOM 0 HB2 ASN A 46 42.100 -1.305 17.839 1.00 1.00 H new ATOM 0 HB3 ASN A 46 41.823 0.158 16.915 1.00 1.00 H new ATOM 0 HD21 ASN A 46 42.455 -3.365 14.934 1.00 1.00 H new ATOM 0 HD22 ASN A 46 42.390 -3.279 16.698 1.00 1.00 H new ATOM 676 N GLY A 47 45.978 -1.396 16.908 1.00 1.00 N ATOM 677 CA GLY A 47 46.932 -2.492 17.020 1.00 1.00 C ATOM 678 C GLY A 47 48.070 -2.130 17.968 1.00 1.00 C ATOM 679 O GLY A 47 49.016 -2.897 18.141 1.00 1.00 O ATOM 0 H GLY A 47 46.279 -0.630 16.305 1.00 1.00 H new ATOM 0 HA2 GLY A 47 46.424 -3.386 17.381 1.00 1.00 H new ATOM 0 HA3 GLY A 47 47.335 -2.730 16.036 1.00 1.00 H new ATOM 683 N LEU A 48 47.970 -0.954 18.582 1.00 1.00 N ATOM 684 CA LEU A 48 48.997 -0.500 19.511 1.00 1.00 C ATOM 685 C LEU A 48 48.378 0.336 20.627 1.00 1.00 C ATOM 686 O LEU A 48 49.088 0.922 21.444 1.00 1.00 O ATOM 687 CB LEU A 48 50.044 0.333 18.768 1.00 1.00 C ATOM 688 CG LEU A 48 49.343 1.383 17.906 1.00 1.00 C ATOM 689 CD1 LEU A 48 50.133 2.693 17.953 1.00 1.00 C ATOM 690 CD2 LEU A 48 49.266 0.888 16.461 1.00 1.00 C ATOM 0 H LEU A 48 47.195 -0.304 18.454 1.00 1.00 H new ATOM 0 HA LEU A 48 49.475 -1.376 19.950 1.00 1.00 H new ATOM 0 HB2 LEU A 48 50.711 0.818 19.481 1.00 1.00 H new ATOM 0 HB3 LEU A 48 50.661 -0.313 18.143 1.00 1.00 H new ATOM 0 HG LEU A 48 48.336 1.551 18.288 1.00 1.00 H new ATOM 0 HD11 LEU A 48 49.633 3.442 17.338 1.00 1.00 H new ATOM 0 HD12 LEU A 48 50.189 3.047 18.982 1.00 1.00 H new ATOM 0 HD13 LEU A 48 51.140 2.524 17.572 1.00 1.00 H new ATOM 0 HD21 LEU A 48 48.766 1.636 15.846 1.00 1.00 H new ATOM 0 HD22 LEU A 48 50.273 0.719 16.080 1.00 1.00 H new ATOM 0 HD23 LEU A 48 48.704 -0.045 16.426 1.00 1.00 H new ATOM 702 N VAL A 49 47.051 0.386 20.654 1.00 1.00 N ATOM 703 CA VAL A 49 46.346 1.154 21.675 1.00 1.00 C ATOM 704 C VAL A 49 45.937 0.253 22.835 1.00 1.00 C ATOM 705 O VAL A 49 46.267 0.524 23.990 1.00 1.00 O ATOM 706 CB VAL A 49 45.102 1.807 21.070 1.00 1.00 C ATOM 707 CG1 VAL A 49 44.312 2.518 22.171 1.00 1.00 C ATOM 708 CG2 VAL A 49 45.527 2.826 20.010 1.00 1.00 C ATOM 0 H VAL A 49 46.445 -0.092 19.987 1.00 1.00 H new ATOM 0 HA VAL A 49 47.016 1.928 22.050 1.00 1.00 H new ATOM 0 HB VAL A 49 44.477 1.042 20.610 1.00 1.00 H new ATOM 0 HG11 VAL A 49 43.426 2.983 21.740 1.00 1.00 H new ATOM 0 HG12 VAL A 49 44.010 1.794 22.928 1.00 1.00 H new ATOM 0 HG13 VAL A 49 44.937 3.284 22.630 1.00 1.00 H new ATOM 0 HG21 VAL A 49 44.642 3.292 19.578 1.00 1.00 H new ATOM 0 HG22 VAL A 49 46.152 3.591 20.471 1.00 1.00 H new ATOM 0 HG23 VAL A 49 46.091 2.321 19.225 1.00 1.00 H new ATOM 718 N LEU A 50 45.217 -0.819 22.521 1.00 1.00 N ATOM 719 CA LEU A 50 44.768 -1.753 23.547 1.00 1.00 C ATOM 720 C LEU A 50 45.655 -2.995 23.567 1.00 1.00 C ATOM 721 O LEU A 50 45.743 -3.689 24.580 1.00 1.00 O ATOM 722 CB LEU A 50 43.318 -2.163 23.283 1.00 1.00 C ATOM 723 CG LEU A 50 43.195 -2.719 21.863 1.00 1.00 C ATOM 724 CD1 LEU A 50 42.574 -4.117 21.914 1.00 1.00 C ATOM 725 CD2 LEU A 50 42.303 -1.796 21.030 1.00 1.00 C ATOM 0 H LEU A 50 44.934 -1.061 21.572 1.00 1.00 H new ATOM 0 HA LEU A 50 44.834 -1.258 24.516 1.00 1.00 H new ATOM 0 HB2 LEU A 50 43.004 -2.914 24.008 1.00 1.00 H new ATOM 0 HB3 LEU A 50 42.658 -1.305 23.407 1.00 1.00 H new ATOM 0 HG LEU A 50 44.184 -2.777 21.409 1.00 1.00 H new ATOM 0 HD11 LEU A 50 42.486 -4.513 20.902 1.00 1.00 H new ATOM 0 HD12 LEU A 50 43.208 -4.775 22.508 1.00 1.00 H new ATOM 0 HD13 LEU A 50 41.585 -4.059 22.368 1.00 1.00 H new ATOM 0 HD21 LEU A 50 42.215 -2.191 20.018 1.00 1.00 H new ATOM 0 HD22 LEU A 50 41.314 -1.738 21.485 1.00 1.00 H new ATOM 0 HD23 LEU A 50 42.744 -0.800 20.993 1.00 1.00 H new ATOM 737 N TRP A 51 46.308 -3.267 22.443 1.00 1.00 N ATOM 738 CA TRP A 51 47.185 -4.428 22.343 1.00 1.00 C ATOM 739 C TRP A 51 48.514 -4.158 23.041 1.00 1.00 C ATOM 740 O TRP A 51 49.291 -5.078 23.295 1.00 1.00 O ATOM 741 CB TRP A 51 47.438 -4.766 20.873 1.00 1.00 C ATOM 742 CG TRP A 51 48.791 -5.385 20.729 1.00 1.00 C ATOM 743 CD1 TRP A 51 49.917 -4.719 20.385 1.00 1.00 C ATOM 744 CD2 TRP A 51 49.181 -6.776 20.919 1.00 1.00 C ATOM 745 NE1 TRP A 51 50.973 -5.612 20.351 1.00 1.00 N ATOM 746 CE2 TRP A 51 50.569 -6.893 20.673 1.00 1.00 C ATOM 747 CE3 TRP A 51 48.471 -7.937 21.277 1.00 1.00 C ATOM 748 CZ2 TRP A 51 51.230 -8.117 20.778 1.00 1.00 C ATOM 749 CZ3 TRP A 51 49.133 -9.171 21.384 1.00 1.00 C ATOM 750 CH2 TRP A 51 50.510 -9.260 21.135 1.00 1.00 C ATOM 0 H TRP A 51 46.248 -2.705 21.594 1.00 1.00 H new ATOM 0 HA TRP A 51 46.697 -5.272 22.831 1.00 1.00 H new ATOM 0 HB2 TRP A 51 46.672 -5.451 20.510 1.00 1.00 H new ATOM 0 HB3 TRP A 51 47.373 -3.864 20.265 1.00 1.00 H new ATOM 0 HD1 TRP A 51 49.981 -3.662 20.172 1.00 1.00 H new ATOM 0 HE1 TRP A 51 51.932 -5.356 20.117 1.00 1.00 H new ATOM 0 HE3 TRP A 51 47.410 -7.879 21.471 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 52.291 -8.181 20.585 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 48.579 -10.056 21.659 1.00 1.00 H new ATOM 0 HH2 TRP A 51 51.014 -10.212 21.219 1.00 1.00 H new ATOM 761 N THR A 52 48.769 -2.890 23.348 1.00 1.00 N ATOM 762 CA THR A 52 50.008 -2.511 24.017 1.00 1.00 C ATOM 763 C THR A 52 50.093 -3.159 25.395 1.00 1.00 C ATOM 764 O THR A 52 51.176 -3.285 25.966 1.00 1.00 O ATOM 765 CB THR A 52 50.079 -0.988 24.161 1.00 1.00 C ATOM 766 OG1 THR A 52 51.337 -0.626 24.711 1.00 1.00 O ATOM 767 CG2 THR A 52 48.958 -0.509 25.086 1.00 1.00 C ATOM 0 H THR A 52 48.140 -2.113 23.146 1.00 1.00 H new ATOM 0 HA THR A 52 50.846 -2.858 23.413 1.00 1.00 H new ATOM 0 HB THR A 52 49.962 -0.523 23.182 1.00 1.00 H new ATOM 0 HG1 THR A 52 51.386 0.348 24.803 1.00 1.00 H new ATOM 0 HG21 THR A 52 49.009 0.575 25.188 1.00 1.00 H new ATOM 0 HG22 THR A 52 47.993 -0.789 24.663 1.00 1.00 H new ATOM 0 HG23 THR A 52 49.073 -0.972 26.066 1.00 1.00 H new ATOM 775 N VAL A 53 48.944 -3.567 25.923 1.00 1.00 N ATOM 776 CA VAL A 53 48.901 -4.202 27.236 1.00 1.00 C ATOM 777 C VAL A 53 49.308 -5.669 27.136 1.00 1.00 C ATOM 778 O VAL A 53 49.856 -6.237 28.081 1.00 1.00 O ATOM 779 CB VAL A 53 47.492 -4.100 27.819 1.00 1.00 C ATOM 780 CG1 VAL A 53 47.524 -4.466 29.303 1.00 1.00 C ATOM 781 CG2 VAL A 53 46.977 -2.666 27.661 1.00 1.00 C ATOM 0 H VAL A 53 48.037 -3.471 25.467 1.00 1.00 H new ATOM 0 HA VAL A 53 49.603 -3.686 27.891 1.00 1.00 H new ATOM 0 HB VAL A 53 46.831 -4.786 27.290 1.00 1.00 H new ATOM 0 HG11 VAL A 53 46.519 -4.393 29.718 1.00 1.00 H new ATOM 0 HG12 VAL A 53 47.891 -5.486 29.418 1.00 1.00 H new ATOM 0 HG13 VAL A 53 48.186 -3.780 29.833 1.00 1.00 H new ATOM 0 HG21 VAL A 53 45.972 -2.592 28.077 1.00 1.00 H new ATOM 0 HG22 VAL A 53 47.640 -1.981 28.190 1.00 1.00 H new ATOM 0 HG23 VAL A 53 46.952 -2.403 26.604 1.00 1.00 H new ATOM 791 N PHE A 54 49.035 -6.276 25.986 1.00 1.00 N ATOM 792 CA PHE A 54 49.378 -7.678 25.774 1.00 1.00 C ATOM 793 C PHE A 54 50.793 -7.807 25.220 1.00 1.00 C ATOM 794 O PHE A 54 51.284 -8.913 24.997 1.00 1.00 O ATOM 795 CB PHE A 54 48.386 -8.316 24.799 1.00 1.00 C ATOM 796 CG PHE A 54 47.588 -9.379 25.515 1.00 1.00 C ATOM 797 CD1 PHE A 54 46.553 -9.010 26.383 1.00 1.00 C ATOM 798 CD2 PHE A 54 47.883 -10.731 25.310 1.00 1.00 C ATOM 799 CE1 PHE A 54 45.813 -9.996 27.047 1.00 1.00 C ATOM 800 CE2 PHE A 54 47.144 -11.718 25.974 1.00 1.00 C ATOM 801 CZ PHE A 54 46.109 -11.349 26.843 1.00 1.00 C ATOM 0 H PHE A 54 48.581 -5.824 25.192 1.00 1.00 H new ATOM 0 HA PHE A 54 49.328 -8.193 26.733 1.00 1.00 H new ATOM 0 HB2 PHE A 54 47.718 -7.556 24.394 1.00 1.00 H new ATOM 0 HB3 PHE A 54 48.920 -8.754 23.955 1.00 1.00 H new ATOM 0 HD1 PHE A 54 46.326 -7.966 26.540 1.00 1.00 H new ATOM 0 HD2 PHE A 54 48.681 -11.014 24.639 1.00 1.00 H new ATOM 0 HE1 PHE A 54 45.014 -9.713 27.716 1.00 1.00 H new ATOM 0 HE2 PHE A 54 47.372 -12.762 25.816 1.00 1.00 H new ATOM 0 HZ PHE A 54 45.539 -12.109 27.356 1.00 1.00 H new ATOM 811 N ARG A 55 51.443 -6.668 25.001 1.00 1.00 N ATOM 812 CA ARG A 55 52.802 -6.666 24.473 1.00 1.00 C ATOM 813 C ARG A 55 53.811 -6.426 25.592 1.00 1.00 C ATOM 814 O ARG A 55 54.795 -7.154 25.721 1.00 1.00 O ATOM 815 CB ARG A 55 52.948 -5.575 23.410 1.00 1.00 C ATOM 816 CG ARG A 55 54.248 -5.792 22.632 1.00 1.00 C ATOM 817 CD ARG A 55 54.593 -4.521 21.852 1.00 1.00 C ATOM 818 NE ARG A 55 55.863 -4.687 21.155 1.00 1.00 N ATOM 819 CZ ARG A 55 56.567 -3.634 20.751 1.00 1.00 C ATOM 820 NH1 ARG A 55 56.124 -2.428 20.976 1.00 1.00 N ATOM 821 NH2 ARG A 55 57.702 -3.808 20.129 1.00 1.00 N ATOM 0 H ARG A 55 51.054 -5.742 25.179 1.00 1.00 H new ATOM 0 HA ARG A 55 52.999 -7.640 24.024 1.00 1.00 H new ATOM 0 HB2 ARG A 55 52.096 -5.598 22.730 1.00 1.00 H new ATOM 0 HB3 ARG A 55 52.953 -4.592 23.881 1.00 1.00 H new ATOM 0 HG2 ARG A 55 55.058 -6.042 23.318 1.00 1.00 H new ATOM 0 HG3 ARG A 55 54.139 -6.633 21.948 1.00 1.00 H new ATOM 0 HD2 ARG A 55 53.802 -4.300 21.135 1.00 1.00 H new ATOM 0 HD3 ARG A 55 54.652 -3.672 22.533 1.00 1.00 H new ATOM 0 HE ARG A 55 56.217 -5.626 20.974 1.00 1.00 H new ATOM 0 HH11 ARG A 55 55.237 -2.293 21.462 1.00 1.00 H new ATOM 0 HH12 ARG A 55 56.664 -1.620 20.666 1.00 1.00 H new ATOM 0 HH21 ARG A 55 58.048 -4.751 19.953 1.00 1.00 H new ATOM 0 HH22 ARG A 55 58.243 -3.001 19.819 1.00 1.00 H new ATOM 835 N LYS A 56 53.560 -5.400 26.399 1.00 1.00 N ATOM 836 CA LYS A 56 54.453 -5.073 27.504 1.00 1.00 C ATOM 837 C LYS A 56 54.726 -6.309 28.356 1.00 1.00 C ATOM 838 O LYS A 56 55.697 -6.351 29.113 1.00 1.00 O ATOM 839 CB LYS A 56 53.829 -3.980 28.375 1.00 1.00 C ATOM 840 CG LYS A 56 53.910 -2.638 27.644 1.00 1.00 C ATOM 841 CD LYS A 56 53.334 -1.536 28.536 1.00 1.00 C ATOM 842 CE LYS A 56 52.724 -0.439 27.662 1.00 1.00 C ATOM 843 NZ LYS A 56 52.640 0.828 28.442 1.00 1.00 N ATOM 0 H LYS A 56 52.751 -4.785 26.309 1.00 1.00 H new ATOM 0 HA LYS A 56 55.395 -4.714 27.090 1.00 1.00 H new ATOM 0 HB2 LYS A 56 52.790 -4.224 28.595 1.00 1.00 H new ATOM 0 HB3 LYS A 56 54.351 -3.918 29.330 1.00 1.00 H new ATOM 0 HG2 LYS A 56 54.946 -2.412 27.391 1.00 1.00 H new ATOM 0 HG3 LYS A 56 53.356 -2.688 26.706 1.00 1.00 H new ATOM 0 HD2 LYS A 56 52.576 -1.950 29.200 1.00 1.00 H new ATOM 0 HD3 LYS A 56 54.118 -1.118 29.168 1.00 1.00 H new ATOM 0 HE2 LYS A 56 53.332 -0.290 26.770 1.00 1.00 H new ATOM 0 HE3 LYS A 56 51.731 -0.738 27.325 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 52.225 1.574 27.848 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 52.043 0.681 29.280 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 53.594 1.115 28.742 1.00 1.00 H new ATOM 857 N LYS A 57 53.866 -7.313 28.225 1.00 1.00 N ATOM 858 CA LYS A 57 54.025 -8.546 28.988 1.00 1.00 C ATOM 859 C LYS A 57 55.417 -9.131 28.776 1.00 1.00 C ATOM 860 O LYS A 57 56.026 -9.661 29.705 1.00 1.00 O ATOM 861 CB LYS A 57 52.970 -9.567 28.558 1.00 1.00 C ATOM 862 CG LYS A 57 51.573 -9.009 28.842 1.00 1.00 C ATOM 863 CD LYS A 57 51.136 -9.418 30.249 1.00 1.00 C ATOM 864 CE LYS A 57 49.772 -8.799 30.560 1.00 1.00 C ATOM 865 NZ LYS A 57 49.881 -7.943 31.775 1.00 1.00 N ATOM 0 H LYS A 57 53.058 -7.299 27.603 1.00 1.00 H new ATOM 0 HA LYS A 57 53.897 -8.315 30.046 1.00 1.00 H new ATOM 0 HB2 LYS A 57 53.075 -9.789 27.496 1.00 1.00 H new ATOM 0 HB3 LYS A 57 53.115 -10.504 29.096 1.00 1.00 H new ATOM 0 HG2 LYS A 57 51.579 -7.923 28.753 1.00 1.00 H new ATOM 0 HG3 LYS A 57 50.863 -9.385 28.106 1.00 1.00 H new ATOM 0 HD2 LYS A 57 51.080 -10.504 30.322 1.00 1.00 H new ATOM 0 HD3 LYS A 57 51.873 -9.087 30.981 1.00 1.00 H new ATOM 0 HE2 LYS A 57 49.429 -8.205 29.713 1.00 1.00 H new ATOM 0 HE3 LYS A 57 49.032 -9.584 30.720 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 48.954 -7.522 31.987 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 50.191 -8.522 32.581 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 50.574 -7.187 31.606 1.00 1.00 H new ATOM 879 N GLY A 58 55.915 -9.031 27.549 1.00 1.00 N ATOM 880 CA GLY A 58 57.238 -9.554 27.227 1.00 1.00 C ATOM 881 C GLY A 58 57.484 -9.525 25.722 1.00 1.00 C ATOM 882 O GLY A 58 57.651 -10.568 25.090 1.00 1.00 O ATOM 0 H GLY A 58 55.427 -8.596 26.766 1.00 1.00 H new ATOM 0 HA2 GLY A 58 58.000 -8.964 27.735 1.00 1.00 H new ATOM 0 HA3 GLY A 58 57.329 -10.576 27.595 1.00 1.00 H new ATOM 886 N HIS A 59 57.504 -8.322 25.154 1.00 1.00 N ATOM 887 CA HIS A 59 57.729 -8.165 23.722 1.00 1.00 C ATOM 888 C HIS A 59 56.694 -8.951 22.924 1.00 1.00 C ATOM 889 O HIS A 59 55.720 -8.386 22.426 1.00 1.00 O ATOM 890 CB HIS A 59 59.134 -8.649 23.356 1.00 1.00 C ATOM 891 CG HIS A 59 60.149 -7.909 24.183 1.00 1.00 C ATOM 892 ND1 HIS A 59 61.231 -8.547 24.771 1.00 1.00 N ATOM 893 CD2 HIS A 59 60.263 -6.584 24.528 1.00 1.00 C ATOM 894 CE1 HIS A 59 61.941 -7.615 25.433 1.00 1.00 C ATOM 895 NE2 HIS A 59 61.395 -6.402 25.318 1.00 1.00 N ATOM 0 H HIS A 59 57.368 -7.447 25.661 1.00 1.00 H new ATOM 0 HA HIS A 59 57.633 -7.108 23.475 1.00 1.00 H new ATOM 0 HB2 HIS A 59 59.218 -9.722 23.531 1.00 1.00 H new ATOM 0 HB3 HIS A 59 59.323 -8.484 22.295 1.00 1.00 H new ATOM 0 HD2 HIS A 59 59.579 -5.803 24.232 1.00 1.00 H new ATOM 0 HE1 HIS A 59 62.843 -7.823 25.990 1.00 1.00 H new ATOM 0 HE2 HIS A 59 61.734 -5.529 25.722 1.00 1.00 H new ATOM 903 N HIS A 60 56.910 -10.258 22.808 1.00 1.00 N ATOM 904 CA HIS A 60 55.988 -11.112 22.068 1.00 1.00 C ATOM 905 C HIS A 60 55.037 -11.825 23.023 1.00 1.00 C ATOM 906 O HIS A 60 53.866 -11.462 23.135 1.00 1.00 O ATOM 907 CB HIS A 60 56.771 -12.145 21.257 1.00 1.00 C ATOM 908 CG HIS A 60 56.872 -11.690 19.828 1.00 1.00 C ATOM 909 ND1 HIS A 60 56.044 -12.186 18.833 1.00 1.00 N ATOM 910 CD2 HIS A 60 57.699 -10.784 19.210 1.00 1.00 C ATOM 911 CE1 HIS A 60 56.387 -11.582 17.680 1.00 1.00 C ATOM 912 NE2 HIS A 60 57.390 -10.717 17.854 1.00 1.00 N ATOM 0 H HIS A 60 57.709 -10.745 23.214 1.00 1.00 H new ATOM 0 HA HIS A 60 55.405 -10.487 21.392 1.00 1.00 H new ATOM 0 HB2 HIS A 60 57.767 -12.275 21.679 1.00 1.00 H new ATOM 0 HB3 HIS A 60 56.275 -13.114 21.307 1.00 1.00 H new ATOM 0 HD2 HIS A 60 58.471 -10.211 19.701 1.00 1.00 H new ATOM 0 HE1 HIS A 60 55.910 -11.773 16.730 1.00 1.00 H new ATOM 0 HE2 HIS A 60 57.834 -10.133 17.146 1.00 1.00 H new ATOM 920 N HIS A 61 55.548 -12.843 23.709 1.00 1.00 N ATOM 921 CA HIS A 61 54.733 -13.602 24.651 1.00 1.00 C ATOM 922 C HIS A 61 55.619 -14.385 25.615 1.00 1.00 C ATOM 923 O HIS A 61 56.139 -15.447 25.271 1.00 1.00 O ATOM 924 CB HIS A 61 53.821 -14.567 23.894 1.00 1.00 C ATOM 925 CG HIS A 61 54.440 -14.907 22.567 1.00 1.00 C ATOM 926 ND1 HIS A 61 55.665 -15.549 22.466 1.00 1.00 N ATOM 927 CD2 HIS A 61 54.018 -14.702 21.277 1.00 1.00 C ATOM 928 CE1 HIS A 61 55.935 -15.705 21.156 1.00 1.00 C ATOM 929 NE2 HIS A 61 54.962 -15.206 20.389 1.00 1.00 N ATOM 0 H HIS A 61 56.515 -13.159 23.631 1.00 1.00 H new ATOM 0 HA HIS A 61 54.124 -12.902 25.222 1.00 1.00 H new ATOM 0 HB2 HIS A 61 53.668 -15.474 24.479 1.00 1.00 H new ATOM 0 HB3 HIS A 61 52.840 -14.115 23.745 1.00 1.00 H new ATOM 0 HD1 HIS A 61 56.254 -15.849 23.243 1.00 1.00 H new ATOM 0 HD2 HIS A 61 53.093 -14.222 20.994 1.00 1.00 H new ATOM 0 HE1 HIS A 61 56.828 -16.176 20.773 1.00 1.00 H new ATOM 937 N HIS A 62 55.786 -13.855 26.822 1.00 1.00 N ATOM 938 CA HIS A 62 56.612 -14.514 27.828 1.00 1.00 C ATOM 939 C HIS A 62 56.033 -14.297 29.222 1.00 1.00 C ATOM 940 O HIS A 62 56.032 -13.178 29.738 1.00 1.00 O ATOM 941 CB HIS A 62 58.038 -13.964 27.774 1.00 1.00 C ATOM 942 CG HIS A 62 58.779 -14.602 26.631 1.00 1.00 C ATOM 943 ND1 HIS A 62 59.498 -13.858 25.709 1.00 1.00 N ATOM 944 CD2 HIS A 62 58.920 -15.912 26.246 1.00 1.00 C ATOM 945 CE1 HIS A 62 60.036 -14.716 24.824 1.00 1.00 C ATOM 946 NE2 HIS A 62 59.714 -15.982 25.105 1.00 1.00 N ATOM 0 H HIS A 62 55.364 -12.978 27.126 1.00 1.00 H new ATOM 0 HA HIS A 62 56.627 -15.583 27.616 1.00 1.00 H new ATOM 0 HB2 HIS A 62 58.017 -12.881 27.649 1.00 1.00 H new ATOM 0 HB3 HIS A 62 58.553 -14.166 28.713 1.00 1.00 H new ATOM 0 HD2 HIS A 62 58.481 -16.760 26.752 1.00 1.00 H new ATOM 0 HE1 HIS A 62 60.653 -14.418 23.989 1.00 1.00 H new ATOM 0 HE2 HIS A 62 59.991 -16.820 24.593 1.00 1.00 H new ATOM 954 N HIS A 63 55.541 -15.373 29.828 1.00 1.00 N ATOM 955 CA HIS A 63 54.962 -15.288 31.163 1.00 1.00 C ATOM 956 C HIS A 63 55.974 -15.731 32.215 1.00 1.00 C ATOM 957 O HIS A 63 55.847 -16.807 32.798 1.00 1.00 O ATOM 958 CB HIS A 63 53.716 -16.170 31.248 1.00 1.00 C ATOM 959 CG HIS A 63 52.600 -15.541 30.460 1.00 1.00 C ATOM 960 ND1 HIS A 63 51.883 -14.452 30.933 1.00 1.00 N ATOM 961 CD2 HIS A 63 52.066 -15.836 29.230 1.00 1.00 C ATOM 962 CE1 HIS A 63 50.967 -14.134 30.001 1.00 1.00 C ATOM 963 NE2 HIS A 63 51.035 -14.946 28.942 1.00 1.00 N ATOM 0 H HIS A 63 55.532 -16.307 29.419 1.00 1.00 H new ATOM 0 HA HIS A 63 54.687 -14.251 31.354 1.00 1.00 H new ATOM 0 HB2 HIS A 63 53.934 -17.164 30.859 1.00 1.00 H new ATOM 0 HB3 HIS A 63 53.416 -16.294 32.288 1.00 1.00 H new ATOM 0 HD2 HIS A 63 52.396 -16.637 28.584 1.00 1.00 H new ATOM 0 HE1 HIS A 63 50.262 -13.321 30.097 1.00 1.00 H new ATOM 0 HE2 HIS A 63 50.456 -14.919 28.103 1.00 1.00 H new ATOM 971 N HIS A 64 56.978 -14.892 32.452 1.00 1.00 N ATOM 972 CA HIS A 64 58.007 -15.208 33.437 1.00 1.00 C ATOM 973 C HIS A 64 57.433 -15.146 34.849 1.00 1.00 C ATOM 974 O HIS A 64 56.436 -14.469 35.033 1.00 1.00 O ATOM 975 CB HIS A 64 59.168 -14.220 33.313 1.00 1.00 C ATOM 976 CG HIS A 64 59.815 -14.035 34.659 1.00 1.00 C ATOM 977 ND1 HIS A 64 60.545 -15.040 35.272 1.00 1.00 N ATOM 978 CD2 HIS A 64 59.849 -12.967 35.521 1.00 1.00 C ATOM 979 CE1 HIS A 64 60.985 -14.561 36.451 1.00 1.00 C ATOM 980 NE2 HIS A 64 60.588 -13.303 36.651 1.00 1.00 N ATOM 981 OXT HIS A 64 57.999 -15.780 35.724 1.00 1.00 O ATOM 0 H HIS A 64 57.101 -13.996 31.980 1.00 1.00 H new ATOM 0 HA HIS A 64 58.368 -16.219 33.247 1.00 1.00 H new ATOM 0 HB2 HIS A 64 59.899 -14.590 32.594 1.00 1.00 H new ATOM 0 HB3 HIS A 64 58.807 -13.263 32.937 1.00 1.00 H new ATOM 0 HD2 HIS A 64 59.375 -12.012 35.348 1.00 1.00 H new ATOM 0 HE1 HIS A 64 61.585 -15.126 37.149 1.00 1.00 H new ATOM 0 HE2 HIS A 64 60.784 -12.713 37.460 1.00 1.00 H new TER 989 HIS A 64