USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 426 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 4 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 5 MET CE :methyl -148:sc= -1.32 (180deg=-2.95!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0386) USER MOD Single : A 12 ASN : amide:sc= 0.938 K(o=0.94,f=-4.7!) USER MOD Single : A 13 TYR OH : rot -121:sc= 0.822 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 29:sc= 0.0691 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -73:sc= 1.18 USER MOD Single : A 28 LYS NZ :NH3+ -137:sc= -2.18! (180deg=-5.02!) USER MOD Single : A 32 MET CE :methyl -141:sc= -0.36 (180deg=-2.35!) USER MOD Single : A 34 LYS NZ :NH3+ -174:sc= 1.97 (180deg=1.92) USER MOD Single : A 35 CYS SG : rot 88:sc= -0.0867 USER MOD Single : A 36 SER OG : rot 180:sc= 0.0589 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.287 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 53 SER OG : rot 160:sc= -0.683 USER MOD Single : A 54 ASN : amide:sc=-0.000177 K(o=-0.00018,f=-0.86) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -3.29! USER MOD ----------------------------------------------------------------- ATOM 38 N ASN A 4 -11.980 1.807 2.791 1.00 0.00 N ATOM 39 CA ASN A 4 -11.470 3.107 2.352 1.00 0.00 C ATOM 40 C ASN A 4 -10.612 3.740 3.441 1.00 0.00 C ATOM 41 O ASN A 4 -10.800 4.899 3.819 1.00 0.00 O ATOM 42 CB ASN A 4 -12.622 4.038 1.950 1.00 0.00 C ATOM 43 CG ASN A 4 -13.377 3.537 0.728 1.00 0.00 C ATOM 44 OD1 ASN A 4 -12.815 2.864 -0.137 1.00 0.00 O ATOM 45 ND2 ASN A 4 -14.658 3.863 0.649 1.00 0.00 N ATOM 0 HA ASN A 4 -10.844 2.951 1.473 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -13.315 4.136 2.786 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -12.226 5.033 1.746 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -15.214 3.555 -0.148 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -15.088 4.422 1.386 1.00 0.00 H new ATOM 52 N MET A 5 -9.666 2.959 3.939 1.00 0.00 N ATOM 53 CA MET A 5 -8.782 3.393 5.007 1.00 0.00 C ATOM 54 C MET A 5 -7.539 4.042 4.419 1.00 0.00 C ATOM 55 O MET A 5 -6.801 3.404 3.676 1.00 0.00 O ATOM 56 CB MET A 5 -8.387 2.189 5.868 1.00 0.00 C ATOM 57 CG MET A 5 -7.598 2.549 7.114 1.00 0.00 C ATOM 58 SD MET A 5 -7.171 1.102 8.107 1.00 0.00 S ATOM 59 CE MET A 5 -6.422 1.889 9.530 1.00 0.00 C ATOM 0 H MET A 5 -9.490 2.008 3.614 1.00 0.00 H new ATOM 0 HA MET A 5 -9.300 4.123 5.629 1.00 0.00 H new ATOM 0 HB2 MET A 5 -9.290 1.656 6.165 1.00 0.00 H new ATOM 0 HB3 MET A 5 -7.796 1.502 5.263 1.00 0.00 H new ATOM 0 HG2 MET A 5 -6.685 3.068 6.824 1.00 0.00 H new ATOM 0 HG3 MET A 5 -8.180 3.243 7.721 1.00 0.00 H new ATOM 0 HE1 MET A 5 -5.642 1.244 9.934 1.00 0.00 H new ATOM 0 HE2 MET A 5 -5.986 2.842 9.231 1.00 0.00 H new ATOM 0 HE3 MET A 5 -7.182 2.061 10.293 1.00 0.00 H new ATOM 69 N PRO A 6 -7.294 5.319 4.723 1.00 0.00 N ATOM 70 CA PRO A 6 -6.110 6.020 4.234 1.00 0.00 C ATOM 71 C PRO A 6 -4.841 5.509 4.908 1.00 0.00 C ATOM 72 O PRO A 6 -4.804 5.338 6.125 1.00 0.00 O ATOM 73 CB PRO A 6 -6.361 7.486 4.614 1.00 0.00 C ATOM 74 CG PRO A 6 -7.786 7.554 5.055 1.00 0.00 C ATOM 75 CD PRO A 6 -8.133 6.186 5.561 1.00 0.00 C ATOM 0 HA PRO A 6 -5.961 5.874 3.164 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -5.689 7.804 5.412 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -6.182 8.146 3.765 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -7.916 8.303 5.836 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.436 7.840 4.228 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -7.902 6.074 6.620 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -9.194 5.965 5.440 1.00 0.00 H new ATOM 83 N ALA A 7 -3.811 5.258 4.114 1.00 0.00 N ATOM 84 CA ALA A 7 -2.534 4.803 4.643 1.00 0.00 C ATOM 85 C ALA A 7 -1.396 5.558 3.984 1.00 0.00 C ATOM 86 O ALA A 7 -1.314 5.641 2.762 1.00 0.00 O ATOM 87 CB ALA A 7 -2.359 3.307 4.443 1.00 0.00 C ATOM 0 H ALA A 7 -3.835 5.362 3.100 1.00 0.00 H new ATOM 0 HA ALA A 7 -2.520 5.004 5.714 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.396 2.996 4.848 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.158 2.775 4.959 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.397 3.075 3.379 1.00 0.00 H new ATOM 93 N TYR A 8 -0.530 6.109 4.804 1.00 0.00 N ATOM 94 CA TYR A 8 0.578 6.916 4.334 1.00 0.00 C ATOM 95 C TYR A 8 1.799 6.033 4.113 1.00 0.00 C ATOM 96 O TYR A 8 2.168 5.260 4.985 1.00 0.00 O ATOM 97 CB TYR A 8 0.864 8.008 5.366 1.00 0.00 C ATOM 98 CG TYR A 8 -0.381 8.757 5.794 1.00 0.00 C ATOM 99 CD1 TYR A 8 -1.216 9.358 4.857 1.00 0.00 C ATOM 100 CD2 TYR A 8 -0.720 8.863 7.137 1.00 0.00 C ATOM 101 CE1 TYR A 8 -2.349 10.041 5.251 1.00 0.00 C ATOM 102 CE2 TYR A 8 -1.855 9.543 7.534 1.00 0.00 C ATOM 103 CZ TYR A 8 -2.666 10.131 6.586 1.00 0.00 C ATOM 104 OH TYR A 8 -3.794 10.819 6.975 1.00 0.00 O ATOM 0 H TYR A 8 -0.572 6.011 5.818 1.00 0.00 H new ATOM 0 HA TYR A 8 0.328 7.387 3.383 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.331 7.559 6.243 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.582 8.715 4.950 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -0.974 9.289 3.807 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -0.086 8.406 7.883 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.986 10.504 4.512 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -2.106 9.614 8.582 1.00 0.00 H new ATOM 0 HH TYR A 8 -3.876 10.788 7.951 1.00 0.00 H new ATOM 114 N VAL A 9 2.418 6.135 2.950 1.00 0.00 N ATOM 115 CA VAL A 9 3.524 5.247 2.605 1.00 0.00 C ATOM 116 C VAL A 9 4.760 5.524 3.459 1.00 0.00 C ATOM 117 O VAL A 9 5.218 6.665 3.572 1.00 0.00 O ATOM 118 CB VAL A 9 3.897 5.342 1.113 1.00 0.00 C ATOM 119 CG1 VAL A 9 5.102 4.464 0.816 1.00 0.00 C ATOM 120 CG2 VAL A 9 2.722 4.934 0.239 1.00 0.00 C ATOM 0 H VAL A 9 2.179 6.817 2.230 1.00 0.00 H new ATOM 0 HA VAL A 9 3.175 4.235 2.811 1.00 0.00 H new ATOM 0 HB VAL A 9 4.151 6.378 0.887 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.356 4.540 -0.241 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.949 4.794 1.417 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.866 3.428 1.059 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.006 5.008 -0.811 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.439 3.906 0.467 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.877 5.595 0.434 1.00 0.00 H new ATOM 130 N LYS A 10 5.289 4.458 4.050 1.00 0.00 N ATOM 131 CA LYS A 10 6.485 4.537 4.881 1.00 0.00 C ATOM 132 C LYS A 10 7.735 4.719 4.027 1.00 0.00 C ATOM 133 O LYS A 10 8.460 5.703 4.176 1.00 0.00 O ATOM 134 CB LYS A 10 6.632 3.271 5.734 1.00 0.00 C ATOM 135 CG LYS A 10 5.836 3.287 7.019 1.00 0.00 C ATOM 136 CD LYS A 10 6.549 4.131 8.064 1.00 0.00 C ATOM 137 CE LYS A 10 5.834 4.115 9.399 1.00 0.00 C ATOM 138 NZ LYS A 10 5.910 2.793 10.076 1.00 0.00 N ATOM 0 H LYS A 10 4.902 3.518 3.967 1.00 0.00 H new ATOM 0 HA LYS A 10 6.376 5.403 5.534 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.324 2.410 5.141 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.686 3.131 5.975 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.840 3.688 6.834 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.706 2.270 7.388 1.00 0.00 H new ATOM 0 HD2 LYS A 10 7.566 3.762 8.194 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.626 5.158 7.708 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.268 4.876 10.048 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.788 4.382 9.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 5.494 2.865 11.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.384 2.088 9.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.905 2.500 10.155 1.00 0.00 H new ATOM 152 N PHE A 11 7.977 3.772 3.129 1.00 0.00 N ATOM 153 CA PHE A 11 9.196 3.774 2.330 1.00 0.00 C ATOM 154 C PHE A 11 8.886 3.482 0.868 1.00 0.00 C ATOM 155 O PHE A 11 7.841 2.914 0.551 1.00 0.00 O ATOM 156 CB PHE A 11 10.195 2.738 2.865 1.00 0.00 C ATOM 157 CG PHE A 11 10.621 2.982 4.284 1.00 0.00 C ATOM 158 CD1 PHE A 11 11.511 3.997 4.588 1.00 0.00 C ATOM 159 CD2 PHE A 11 10.132 2.194 5.315 1.00 0.00 C ATOM 160 CE1 PHE A 11 11.904 4.225 5.892 1.00 0.00 C ATOM 161 CE2 PHE A 11 10.521 2.416 6.621 1.00 0.00 C ATOM 162 CZ PHE A 11 11.408 3.434 6.910 1.00 0.00 C ATOM 0 H PHE A 11 7.346 2.994 2.936 1.00 0.00 H new ATOM 0 HA PHE A 11 9.641 4.766 2.403 1.00 0.00 H new ATOM 0 HB2 PHE A 11 9.748 1.746 2.795 1.00 0.00 H new ATOM 0 HB3 PHE A 11 11.078 2.735 2.226 1.00 0.00 H new ATOM 0 HD1 PHE A 11 11.903 4.618 3.796 1.00 0.00 H new ATOM 0 HD2 PHE A 11 9.438 1.397 5.094 1.00 0.00 H new ATOM 0 HE1 PHE A 11 12.599 5.021 6.116 1.00 0.00 H new ATOM 0 HE2 PHE A 11 10.132 1.795 7.415 1.00 0.00 H new ATOM 0 HZ PHE A 11 11.714 3.612 7.931 1.00 0.00 H new ATOM 172 N ASN A 12 9.798 3.873 -0.017 1.00 0.00 N ATOM 173 CA ASN A 12 9.632 3.643 -1.450 1.00 0.00 C ATOM 174 C ASN A 12 9.598 2.153 -1.764 1.00 0.00 C ATOM 175 O ASN A 12 10.531 1.411 -1.439 1.00 0.00 O ATOM 176 CB ASN A 12 10.756 4.313 -2.251 1.00 0.00 C ATOM 177 CG ASN A 12 10.499 5.787 -2.498 1.00 0.00 C ATOM 178 OD1 ASN A 12 9.819 6.453 -1.719 1.00 0.00 O ATOM 179 ND2 ASN A 12 11.047 6.310 -3.585 1.00 0.00 N ATOM 0 H ASN A 12 10.663 4.352 0.233 1.00 0.00 H new ATOM 0 HA ASN A 12 8.680 4.087 -1.742 1.00 0.00 H new ATOM 0 HB2 ASN A 12 11.698 4.197 -1.715 1.00 0.00 H new ATOM 0 HB3 ASN A 12 10.869 3.803 -3.207 1.00 0.00 H new ATOM 0 HD21 ASN A 12 10.911 7.298 -3.800 1.00 0.00 H new ATOM 0 HD22 ASN A 12 11.605 5.725 -4.207 1.00 0.00 H new ATOM 186 N TYR A 13 8.514 1.725 -2.389 1.00 0.00 N ATOM 187 CA TYR A 13 8.349 0.336 -2.788 1.00 0.00 C ATOM 188 C TYR A 13 7.994 0.256 -4.262 1.00 0.00 C ATOM 189 O TYR A 13 6.934 0.727 -4.683 1.00 0.00 O ATOM 190 CB TYR A 13 7.263 -0.347 -1.948 1.00 0.00 C ATOM 191 CG TYR A 13 6.939 -1.758 -2.402 1.00 0.00 C ATOM 192 CD1 TYR A 13 7.798 -2.813 -2.121 1.00 0.00 C ATOM 193 CD2 TYR A 13 5.775 -2.033 -3.116 1.00 0.00 C ATOM 194 CE1 TYR A 13 7.510 -4.101 -2.538 1.00 0.00 C ATOM 195 CE2 TYR A 13 5.480 -3.318 -3.535 1.00 0.00 C ATOM 196 CZ TYR A 13 6.349 -4.348 -3.246 1.00 0.00 C ATOM 197 OH TYR A 13 6.057 -5.631 -3.660 1.00 0.00 O ATOM 0 H TYR A 13 7.727 2.326 -2.633 1.00 0.00 H new ATOM 0 HA TYR A 13 9.292 -0.184 -2.619 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.585 -0.375 -0.907 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.355 0.255 -1.985 1.00 0.00 H new ATOM 0 HD1 TYR A 13 8.706 -2.625 -1.568 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.091 -1.229 -3.346 1.00 0.00 H new ATOM 0 HE1 TYR A 13 8.189 -4.909 -2.311 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.572 -3.513 -4.086 1.00 0.00 H new ATOM 0 HH TYR A 13 5.964 -5.647 -4.635 1.00 0.00 H new ATOM 207 N MET A 14 8.888 -0.324 -5.042 1.00 0.00 N ATOM 208 CA MET A 14 8.661 -0.492 -6.465 1.00 0.00 C ATOM 209 C MET A 14 7.785 -1.705 -6.720 1.00 0.00 C ATOM 210 O MET A 14 8.094 -2.814 -6.277 1.00 0.00 O ATOM 211 CB MET A 14 9.987 -0.643 -7.223 1.00 0.00 C ATOM 212 CG MET A 14 10.860 0.606 -7.219 1.00 0.00 C ATOM 213 SD MET A 14 11.544 0.993 -5.596 1.00 0.00 S ATOM 214 CE MET A 14 12.505 2.455 -5.981 1.00 0.00 C ATOM 0 H MET A 14 9.782 -0.688 -4.712 1.00 0.00 H new ATOM 0 HA MET A 14 8.154 0.402 -6.830 1.00 0.00 H new ATOM 0 HB2 MET A 14 10.550 -1.467 -6.785 1.00 0.00 H new ATOM 0 HB3 MET A 14 9.772 -0.918 -8.256 1.00 0.00 H new ATOM 0 HG2 MET A 14 11.677 0.472 -7.927 1.00 0.00 H new ATOM 0 HG3 MET A 14 10.271 1.454 -7.569 1.00 0.00 H new ATOM 0 HE1 MET A 14 12.993 2.818 -5.077 1.00 0.00 H new ATOM 0 HE2 MET A 14 13.261 2.208 -6.727 1.00 0.00 H new ATOM 0 HE3 MET A 14 11.847 3.230 -6.374 1.00 0.00 H new ATOM 224 N ALA A 15 6.685 -1.485 -7.419 1.00 0.00 N ATOM 225 CA ALA A 15 5.806 -2.569 -7.814 1.00 0.00 C ATOM 226 C ALA A 15 6.374 -3.260 -9.044 1.00 0.00 C ATOM 227 O ALA A 15 6.681 -2.609 -10.044 1.00 0.00 O ATOM 228 CB ALA A 15 4.405 -2.050 -8.086 1.00 0.00 C ATOM 0 H ALA A 15 6.379 -0.561 -7.725 1.00 0.00 H new ATOM 0 HA ALA A 15 5.741 -3.291 -7.000 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.761 -2.878 -8.381 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.008 -1.585 -7.184 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.439 -1.314 -8.889 1.00 0.00 H new ATOM 234 N GLU A 16 6.539 -4.568 -8.965 1.00 0.00 N ATOM 235 CA GLU A 16 7.164 -5.310 -10.046 1.00 0.00 C ATOM 236 C GLU A 16 6.143 -5.724 -11.100 1.00 0.00 C ATOM 237 O GLU A 16 6.345 -5.503 -12.293 1.00 0.00 O ATOM 238 CB GLU A 16 7.881 -6.544 -9.491 1.00 0.00 C ATOM 239 CG GLU A 16 8.611 -7.360 -10.547 1.00 0.00 C ATOM 240 CD GLU A 16 9.854 -6.674 -11.077 1.00 0.00 C ATOM 241 OE1 GLU A 16 9.928 -5.425 -11.039 1.00 0.00 O ATOM 242 OE2 GLU A 16 10.766 -7.387 -11.542 1.00 0.00 O ATOM 0 H GLU A 16 6.251 -5.136 -8.168 1.00 0.00 H new ATOM 0 HA GLU A 16 7.893 -4.656 -10.525 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.597 -6.226 -8.733 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.151 -7.182 -8.993 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.889 -8.325 -10.123 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.932 -7.560 -11.376 1.00 0.00 H new ATOM 249 N ARG A 17 5.048 -6.310 -10.653 1.00 0.00 N ATOM 250 CA ARG A 17 4.073 -6.888 -11.563 1.00 0.00 C ATOM 251 C ARG A 17 2.797 -6.054 -11.656 1.00 0.00 C ATOM 252 O ARG A 17 2.715 -4.957 -11.100 1.00 0.00 O ATOM 253 CB ARG A 17 3.755 -8.305 -11.112 1.00 0.00 C ATOM 254 CG ARG A 17 4.909 -9.266 -11.332 1.00 0.00 C ATOM 255 CD ARG A 17 4.800 -10.475 -10.427 1.00 0.00 C ATOM 256 NE ARG A 17 4.915 -10.108 -9.020 1.00 0.00 N ATOM 257 CZ ARG A 17 4.740 -10.961 -8.015 1.00 0.00 C ATOM 258 NH1 ARG A 17 4.433 -12.231 -8.260 1.00 0.00 N ATOM 259 NH2 ARG A 17 4.886 -10.537 -6.770 1.00 0.00 N ATOM 0 H ARG A 17 4.810 -6.399 -9.665 1.00 0.00 H new ATOM 0 HA ARG A 17 4.507 -6.902 -12.563 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.494 -8.294 -10.054 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.880 -8.666 -11.653 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.923 -9.589 -12.373 1.00 0.00 H new ATOM 0 HG3 ARG A 17 5.852 -8.753 -11.145 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.845 -10.972 -10.597 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.581 -11.191 -10.681 1.00 0.00 H new ATOM 0 HE ARG A 17 5.143 -9.140 -8.794 1.00 0.00 H new ATOM 0 HH11 ARG A 17 4.331 -12.555 -9.222 1.00 0.00 H new ATOM 0 HH12 ARG A 17 4.300 -12.882 -7.486 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.131 -9.564 -6.588 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.754 -11.184 -5.992 1.00 0.00 H new ATOM 273 N GLU A 18 1.802 -6.607 -12.345 1.00 0.00 N ATOM 274 CA GLU A 18 0.576 -5.885 -12.682 1.00 0.00 C ATOM 275 C GLU A 18 -0.322 -5.678 -11.464 1.00 0.00 C ATOM 276 O GLU A 18 -0.970 -4.641 -11.329 1.00 0.00 O ATOM 277 CB GLU A 18 -0.187 -6.671 -13.753 1.00 0.00 C ATOM 278 CG GLU A 18 -1.462 -6.000 -14.241 1.00 0.00 C ATOM 279 CD GLU A 18 -2.323 -6.933 -15.061 1.00 0.00 C ATOM 280 OE1 GLU A 18 -1.884 -7.348 -16.154 1.00 0.00 O ATOM 281 OE2 GLU A 18 -3.444 -7.261 -14.619 1.00 0.00 O ATOM 0 H GLU A 18 1.822 -7.568 -12.686 1.00 0.00 H new ATOM 0 HA GLU A 18 0.856 -4.899 -13.054 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.473 -6.833 -14.606 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.439 -7.654 -13.354 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.032 -5.642 -13.384 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.204 -5.127 -14.840 1.00 0.00 H new ATOM 288 N ASP A 19 -0.351 -6.657 -10.573 1.00 0.00 N ATOM 289 CA ASP A 19 -1.241 -6.599 -9.419 1.00 0.00 C ATOM 290 C ASP A 19 -0.504 -6.100 -8.183 1.00 0.00 C ATOM 291 O ASP A 19 -1.045 -6.116 -7.077 1.00 0.00 O ATOM 292 CB ASP A 19 -1.884 -7.967 -9.154 1.00 0.00 C ATOM 293 CG ASP A 19 -0.877 -9.043 -8.812 1.00 0.00 C ATOM 294 OD1 ASP A 19 -0.030 -9.364 -9.672 1.00 0.00 O ATOM 295 OD2 ASP A 19 -0.935 -9.583 -7.687 1.00 0.00 O ATOM 0 H ASP A 19 0.226 -7.496 -10.624 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.036 -5.888 -9.646 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.598 -7.873 -8.336 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.448 -8.273 -10.035 1.00 0.00 H new ATOM 300 N GLU A 20 0.724 -5.643 -8.377 1.00 0.00 N ATOM 301 CA GLU A 20 1.480 -5.015 -7.305 1.00 0.00 C ATOM 302 C GLU A 20 1.227 -3.516 -7.298 1.00 0.00 C ATOM 303 O GLU A 20 1.010 -2.909 -8.348 1.00 0.00 O ATOM 304 CB GLU A 20 2.975 -5.285 -7.453 1.00 0.00 C ATOM 305 CG GLU A 20 3.386 -6.674 -7.014 1.00 0.00 C ATOM 306 CD GLU A 20 4.867 -6.910 -7.181 1.00 0.00 C ATOM 307 OE1 GLU A 20 5.656 -6.417 -6.343 1.00 0.00 O ATOM 308 OE2 GLU A 20 5.256 -7.582 -8.153 1.00 0.00 O ATOM 0 H GLU A 20 1.218 -5.696 -9.268 1.00 0.00 H new ATOM 0 HA GLU A 20 1.146 -5.445 -6.361 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.260 -5.143 -8.496 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.528 -4.550 -6.869 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.112 -6.819 -5.969 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.834 -7.414 -7.593 1.00 0.00 H new ATOM 315 N LEU A 21 1.259 -2.925 -6.121 1.00 0.00 N ATOM 316 CA LEU A 21 0.950 -1.517 -5.974 1.00 0.00 C ATOM 317 C LEU A 21 2.201 -0.742 -5.557 1.00 0.00 C ATOM 318 O LEU A 21 2.780 -1.000 -4.501 1.00 0.00 O ATOM 319 CB LEU A 21 -0.177 -1.368 -4.947 1.00 0.00 C ATOM 320 CG LEU A 21 -0.901 -0.020 -4.904 1.00 0.00 C ATOM 321 CD1 LEU A 21 -0.278 0.895 -3.869 1.00 0.00 C ATOM 322 CD2 LEU A 21 -0.882 0.648 -6.267 1.00 0.00 C ATOM 0 H LEU A 21 1.497 -3.399 -5.250 1.00 0.00 H new ATOM 0 HA LEU A 21 0.616 -1.101 -6.925 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.917 -2.145 -5.140 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.238 -1.562 -3.958 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.937 -0.209 -4.623 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.810 1.846 -3.857 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.344 0.430 -2.885 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.769 1.067 -4.119 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.403 1.604 -6.211 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.150 0.814 -6.576 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.380 0.006 -6.994 1.00 0.00 H new ATOM 334 N SER A 22 2.623 0.189 -6.408 1.00 0.00 N ATOM 335 CA SER A 22 3.824 0.981 -6.161 1.00 0.00 C ATOM 336 C SER A 22 3.598 1.993 -5.045 1.00 0.00 C ATOM 337 O SER A 22 2.571 2.677 -5.012 1.00 0.00 O ATOM 338 CB SER A 22 4.238 1.700 -7.444 1.00 0.00 C ATOM 339 OG SER A 22 3.155 2.445 -7.976 1.00 0.00 O ATOM 0 H SER A 22 2.147 0.415 -7.281 1.00 0.00 H new ATOM 0 HA SER A 22 4.621 0.307 -5.847 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.077 2.365 -7.239 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.581 0.972 -8.180 1.00 0.00 H new ATOM 0 HG SER A 22 2.560 2.722 -7.248 1.00 0.00 H new ATOM 345 N LEU A 23 4.563 2.095 -4.143 1.00 0.00 N ATOM 346 CA LEU A 23 4.455 2.998 -3.009 1.00 0.00 C ATOM 347 C LEU A 23 5.567 4.038 -3.023 1.00 0.00 C ATOM 348 O LEU A 23 6.718 3.732 -3.338 1.00 0.00 O ATOM 349 CB LEU A 23 4.500 2.214 -1.696 1.00 0.00 C ATOM 350 CG LEU A 23 3.402 1.170 -1.518 1.00 0.00 C ATOM 351 CD1 LEU A 23 3.475 0.556 -0.130 1.00 0.00 C ATOM 352 CD2 LEU A 23 2.035 1.788 -1.746 1.00 0.00 C ATOM 0 H LEU A 23 5.432 1.561 -4.176 1.00 0.00 H new ATOM 0 HA LEU A 23 3.499 3.515 -3.088 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.467 1.716 -1.623 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.443 2.921 -0.868 1.00 0.00 H new ATOM 0 HG LEU A 23 3.554 0.384 -2.257 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.685 -0.187 -0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.445 0.077 0.006 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.347 1.336 0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.265 1.027 -1.615 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.876 2.593 -1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.981 2.188 -2.759 1.00 0.00 H new ATOM 364 N ILE A 24 5.211 5.263 -2.669 1.00 0.00 N ATOM 365 CA ILE A 24 6.159 6.358 -2.608 1.00 0.00 C ATOM 366 C ILE A 24 6.158 6.960 -1.218 1.00 0.00 C ATOM 367 O ILE A 24 5.117 7.398 -0.727 1.00 0.00 O ATOM 368 CB ILE A 24 5.817 7.467 -3.621 1.00 0.00 C ATOM 369 CG1 ILE A 24 5.936 6.949 -5.056 1.00 0.00 C ATOM 370 CG2 ILE A 24 6.704 8.688 -3.394 1.00 0.00 C ATOM 371 CD1 ILE A 24 7.330 6.498 -5.428 1.00 0.00 C ATOM 0 H ILE A 24 4.258 5.523 -2.417 1.00 0.00 H new ATOM 0 HA ILE A 24 7.141 5.953 -2.852 1.00 0.00 H new ATOM 0 HB ILE A 24 4.782 7.771 -3.467 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.247 6.115 -5.190 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.623 7.735 -5.743 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.450 9.462 -4.118 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.547 9.069 -2.385 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.750 8.406 -3.517 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.335 6.144 -6.459 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.022 7.334 -5.328 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.640 5.690 -4.766 1.00 0.00 H new ATOM 383 N LYS A 25 7.319 6.967 -0.587 1.00 0.00 N ATOM 384 CA LYS A 25 7.472 7.591 0.716 1.00 0.00 C ATOM 385 C LYS A 25 6.975 9.030 0.654 1.00 0.00 C ATOM 386 O LYS A 25 7.471 9.835 -0.134 1.00 0.00 O ATOM 387 CB LYS A 25 8.943 7.550 1.140 1.00 0.00 C ATOM 388 CG LYS A 25 9.223 8.227 2.467 1.00 0.00 C ATOM 389 CD LYS A 25 10.705 8.188 2.793 1.00 0.00 C ATOM 390 CE LYS A 25 11.005 8.883 4.106 1.00 0.00 C ATOM 391 NZ LYS A 25 12.463 8.923 4.386 1.00 0.00 N ATOM 0 H LYS A 25 8.172 6.547 -0.957 1.00 0.00 H new ATOM 0 HA LYS A 25 6.882 7.046 1.453 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.264 6.510 1.200 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.546 8.026 0.367 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.882 9.262 2.431 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.659 7.733 3.258 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.040 7.152 2.844 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.267 8.666 1.991 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.612 9.899 4.078 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.493 8.365 4.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.629 9.406 5.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.833 7.953 4.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.949 9.439 3.625 1.00 0.00 H new ATOM 405 N GLY A 26 5.985 9.345 1.475 1.00 0.00 N ATOM 406 CA GLY A 26 5.415 10.675 1.455 1.00 0.00 C ATOM 407 C GLY A 26 3.988 10.700 0.940 1.00 0.00 C ATOM 408 O GLY A 26 3.223 11.611 1.261 1.00 0.00 O ATOM 0 H GLY A 26 5.568 8.706 2.152 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.439 11.090 2.463 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.033 11.320 0.830 1.00 0.00 H new ATOM 412 N THR A 27 3.621 9.701 0.150 1.00 0.00 N ATOM 413 CA THR A 27 2.302 9.668 -0.461 1.00 0.00 C ATOM 414 C THR A 27 1.323 8.867 0.392 1.00 0.00 C ATOM 415 O THR A 27 1.679 8.385 1.468 1.00 0.00 O ATOM 416 CB THR A 27 2.351 9.079 -1.885 1.00 0.00 C ATOM 417 OG1 THR A 27 2.806 7.720 -1.855 1.00 0.00 O ATOM 418 CG2 THR A 27 3.262 9.905 -2.778 1.00 0.00 C ATOM 0 H THR A 27 4.216 8.906 -0.082 1.00 0.00 H new ATOM 0 HA THR A 27 1.955 10.699 -0.526 1.00 0.00 H new ATOM 0 HB THR A 27 1.340 9.105 -2.293 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.766 7.701 -1.659 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.282 9.472 -3.778 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.888 10.927 -2.833 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.270 9.909 -2.364 1.00 0.00 H new ATOM 426 N LYS A 28 0.104 8.717 -0.101 1.00 0.00 N ATOM 427 CA LYS A 28 -0.945 8.032 0.637 1.00 0.00 C ATOM 428 C LYS A 28 -1.714 7.093 -0.285 1.00 0.00 C ATOM 429 O LYS A 28 -1.982 7.432 -1.441 1.00 0.00 O ATOM 430 CB LYS A 28 -1.895 9.058 1.251 1.00 0.00 C ATOM 431 CG LYS A 28 -3.052 8.455 2.022 1.00 0.00 C ATOM 432 CD LYS A 28 -4.116 9.495 2.360 1.00 0.00 C ATOM 433 CE LYS A 28 -4.825 10.038 1.121 1.00 0.00 C ATOM 434 NZ LYS A 28 -4.017 11.055 0.387 1.00 0.00 N ATOM 0 H LYS A 28 -0.185 9.063 -1.016 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.491 7.442 1.433 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.328 9.707 1.919 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.293 9.688 0.456 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.501 7.654 1.435 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.679 8.005 2.942 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.853 9.051 3.029 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.652 10.321 2.899 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.056 9.211 0.449 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.775 10.482 1.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.629 11.846 0.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.259 11.408 1.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.599 10.620 -0.460 1.00 0.00 H new ATOM 448 N VAL A 29 -2.061 5.920 0.222 1.00 0.00 N ATOM 449 CA VAL A 29 -2.846 4.962 -0.537 1.00 0.00 C ATOM 450 C VAL A 29 -4.180 4.709 0.162 1.00 0.00 C ATOM 451 O VAL A 29 -4.327 4.990 1.355 1.00 0.00 O ATOM 452 CB VAL A 29 -2.088 3.619 -0.735 1.00 0.00 C ATOM 453 CG1 VAL A 29 -0.639 3.882 -1.113 1.00 0.00 C ATOM 454 CG2 VAL A 29 -2.150 2.742 0.510 1.00 0.00 C ATOM 0 H VAL A 29 -1.809 5.609 1.160 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.025 5.390 -1.523 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.582 3.082 -1.545 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.120 2.933 -1.248 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.603 4.451 -2.042 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.154 4.451 -0.320 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.608 1.814 0.329 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.696 3.269 1.349 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.190 2.515 0.744 1.00 0.00 H new ATOM 464 N ILE A 30 -5.151 4.207 -0.584 1.00 0.00 N ATOM 465 CA ILE A 30 -6.458 3.888 -0.028 1.00 0.00 C ATOM 466 C ILE A 30 -6.582 2.387 0.206 1.00 0.00 C ATOM 467 O ILE A 30 -6.689 1.606 -0.741 1.00 0.00 O ATOM 468 CB ILE A 30 -7.599 4.355 -0.957 1.00 0.00 C ATOM 469 CG1 ILE A 30 -7.497 5.861 -1.199 1.00 0.00 C ATOM 470 CG2 ILE A 30 -8.957 3.998 -0.365 1.00 0.00 C ATOM 471 CD1 ILE A 30 -7.653 6.692 0.057 1.00 0.00 C ATOM 0 H ILE A 30 -5.059 4.011 -1.581 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.546 4.417 0.921 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.501 3.840 -1.913 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.531 6.082 -1.653 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -8.262 6.157 -1.917 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.747 4.336 -1.036 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -9.026 2.918 -0.239 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -9.071 4.485 0.604 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.569 7.749 -0.194 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -8.630 6.501 0.501 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.872 6.425 0.769 1.00 0.00 H new ATOM 483 N VAL A 31 -6.550 1.994 1.467 1.00 0.00 N ATOM 484 CA VAL A 31 -6.612 0.591 1.840 1.00 0.00 C ATOM 485 C VAL A 31 -8.053 0.106 1.900 1.00 0.00 C ATOM 486 O VAL A 31 -8.905 0.712 2.556 1.00 0.00 O ATOM 487 CB VAL A 31 -5.937 0.340 3.206 1.00 0.00 C ATOM 488 CG1 VAL A 31 -5.902 -1.144 3.527 1.00 0.00 C ATOM 489 CG2 VAL A 31 -4.539 0.934 3.225 1.00 0.00 C ATOM 0 H VAL A 31 -6.481 2.634 2.258 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.075 0.034 1.072 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.528 0.834 3.977 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.422 -1.296 4.494 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.920 -1.533 3.562 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.339 -1.670 2.756 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.078 0.748 4.195 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.937 0.472 2.442 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.598 2.008 3.051 1.00 0.00 H new ATOM 499 N MET A 32 -8.327 -0.978 1.200 1.00 0.00 N ATOM 500 CA MET A 32 -9.639 -1.581 1.221 1.00 0.00 C ATOM 501 C MET A 32 -9.566 -2.967 1.841 1.00 0.00 C ATOM 502 O MET A 32 -10.305 -3.288 2.769 1.00 0.00 O ATOM 503 CB MET A 32 -10.192 -1.659 -0.195 1.00 0.00 C ATOM 504 CG MET A 32 -10.565 -0.305 -0.772 1.00 0.00 C ATOM 505 SD MET A 32 -10.722 -0.344 -2.565 1.00 0.00 S ATOM 506 CE MET A 32 -9.062 -0.851 -3.005 1.00 0.00 C ATOM 0 H MET A 32 -7.651 -1.459 0.607 1.00 0.00 H new ATOM 0 HA MET A 32 -10.307 -0.967 1.825 1.00 0.00 H new ATOM 0 HB2 MET A 32 -9.451 -2.129 -0.841 1.00 0.00 H new ATOM 0 HB3 MET A 32 -11.072 -2.302 -0.199 1.00 0.00 H new ATOM 0 HG2 MET A 32 -11.507 0.027 -0.335 1.00 0.00 H new ATOM 0 HG3 MET A 32 -9.808 0.428 -0.492 1.00 0.00 H new ATOM 0 HE1 MET A 32 -8.741 -0.313 -3.897 1.00 0.00 H new ATOM 0 HE2 MET A 32 -8.383 -0.627 -2.182 1.00 0.00 H new ATOM 0 HE3 MET A 32 -9.050 -1.923 -3.204 1.00 0.00 H new ATOM 516 N GLU A 33 -8.640 -3.768 1.341 1.00 0.00 N ATOM 517 CA GLU A 33 -8.496 -5.143 1.781 1.00 0.00 C ATOM 518 C GLU A 33 -7.240 -5.301 2.631 1.00 0.00 C ATOM 519 O GLU A 33 -6.167 -4.836 2.252 1.00 0.00 O ATOM 520 CB GLU A 33 -8.411 -6.069 0.566 1.00 0.00 C ATOM 521 CG GLU A 33 -8.399 -7.546 0.918 1.00 0.00 C ATOM 522 CD GLU A 33 -9.730 -8.019 1.449 1.00 0.00 C ATOM 523 OE1 GLU A 33 -10.595 -8.393 0.631 1.00 0.00 O ATOM 524 OE2 GLU A 33 -9.921 -8.025 2.684 1.00 0.00 O ATOM 0 H GLU A 33 -7.972 -3.485 0.624 1.00 0.00 H new ATOM 0 HA GLU A 33 -9.365 -5.409 2.383 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.257 -5.869 -0.091 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -7.508 -5.832 0.003 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.136 -8.126 0.033 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.626 -7.733 1.663 1.00 0.00 H new ATOM 531 N LYS A 34 -7.381 -5.942 3.783 1.00 0.00 N ATOM 532 CA LYS A 34 -6.236 -6.241 4.634 1.00 0.00 C ATOM 533 C LYS A 34 -6.331 -7.675 5.136 1.00 0.00 C ATOM 534 O LYS A 34 -7.284 -8.039 5.827 1.00 0.00 O ATOM 535 CB LYS A 34 -6.143 -5.261 5.814 1.00 0.00 C ATOM 536 CG LYS A 34 -6.068 -3.802 5.382 1.00 0.00 C ATOM 537 CD LYS A 34 -5.615 -2.873 6.505 1.00 0.00 C ATOM 538 CE LYS A 34 -6.444 -3.054 7.753 1.00 0.00 C ATOM 539 NZ LYS A 34 -6.258 -1.939 8.720 1.00 0.00 N ATOM 0 H LYS A 34 -8.276 -6.265 4.150 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.328 -6.127 4.042 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.011 -5.397 6.460 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.262 -5.502 6.409 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.379 -3.712 4.542 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.048 -3.483 5.026 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.567 -3.065 6.734 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.684 -1.838 6.170 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.497 -3.124 7.480 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.176 -3.996 8.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.766 -2.155 9.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.245 -1.822 8.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.633 -1.059 8.312 1.00 0.00 H new ATOM 553 N CYS A 35 -5.357 -8.491 4.764 1.00 0.00 N ATOM 554 CA CYS A 35 -5.367 -9.903 5.121 1.00 0.00 C ATOM 555 C CYS A 35 -4.791 -10.114 6.519 1.00 0.00 C ATOM 556 O CYS A 35 -4.437 -9.155 7.206 1.00 0.00 O ATOM 557 CB CYS A 35 -4.563 -10.703 4.096 1.00 0.00 C ATOM 558 SG CYS A 35 -5.022 -10.372 2.381 1.00 0.00 S ATOM 0 H CYS A 35 -4.548 -8.200 4.214 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.399 -10.252 5.121 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.504 -10.481 4.227 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.693 -11.766 4.297 1.00 0.00 H new ATOM 0 HG CYS A 35 -4.332 -9.365 1.934 1.00 0.00 H new ATOM 564 N SER A 36 -4.697 -11.369 6.933 1.00 0.00 N ATOM 565 CA SER A 36 -4.156 -11.707 8.241 1.00 0.00 C ATOM 566 C SER A 36 -2.629 -11.731 8.217 1.00 0.00 C ATOM 567 O SER A 36 -1.980 -11.960 9.239 1.00 0.00 O ATOM 568 CB SER A 36 -4.710 -13.060 8.682 1.00 0.00 C ATOM 569 OG SER A 36 -4.697 -13.983 7.602 1.00 0.00 O ATOM 0 H SER A 36 -4.990 -12.174 6.379 1.00 0.00 H new ATOM 0 HA SER A 36 -4.459 -10.942 8.956 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.116 -13.450 9.508 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.728 -12.939 9.051 1.00 0.00 H new ATOM 0 HG SER A 36 -5.054 -14.844 7.904 1.00 0.00 H new ATOM 575 N ASP A 37 -2.061 -11.490 7.046 1.00 0.00 N ATOM 576 CA ASP A 37 -0.616 -11.471 6.885 1.00 0.00 C ATOM 577 C ASP A 37 -0.164 -10.134 6.301 1.00 0.00 C ATOM 578 O ASP A 37 -0.913 -9.159 6.328 1.00 0.00 O ATOM 579 CB ASP A 37 -0.150 -12.638 6.006 1.00 0.00 C ATOM 580 CG ASP A 37 -0.721 -12.594 4.605 1.00 0.00 C ATOM 581 OD1 ASP A 37 -1.879 -13.030 4.418 1.00 0.00 O ATOM 582 OD2 ASP A 37 -0.007 -12.147 3.684 1.00 0.00 O ATOM 0 H ASP A 37 -2.582 -11.304 6.189 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.158 -11.589 7.867 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.938 -12.629 5.948 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.436 -13.577 6.479 1.00 0.00 H new ATOM 587 N GLY A 38 1.049 -10.096 5.763 1.00 0.00 N ATOM 588 CA GLY A 38 1.651 -8.834 5.368 1.00 0.00 C ATOM 589 C GLY A 38 1.186 -8.310 4.017 1.00 0.00 C ATOM 590 O GLY A 38 1.669 -7.271 3.562 1.00 0.00 O ATOM 0 H GLY A 38 1.629 -10.918 5.592 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.430 -8.086 6.130 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.734 -8.954 5.344 1.00 0.00 H new ATOM 594 N TRP A 39 0.269 -9.012 3.363 1.00 0.00 N ATOM 595 CA TRP A 39 -0.234 -8.569 2.068 1.00 0.00 C ATOM 596 C TRP A 39 -1.569 -7.842 2.196 1.00 0.00 C ATOM 597 O TRP A 39 -2.602 -8.449 2.487 1.00 0.00 O ATOM 598 CB TRP A 39 -0.363 -9.743 1.094 1.00 0.00 C ATOM 599 CG TRP A 39 0.949 -10.184 0.527 1.00 0.00 C ATOM 600 CD1 TRP A 39 1.575 -11.377 0.736 1.00 0.00 C ATOM 601 CD2 TRP A 39 1.804 -9.425 -0.337 1.00 0.00 C ATOM 602 NE1 TRP A 39 2.764 -11.410 0.050 1.00 0.00 N ATOM 603 CE2 TRP A 39 2.926 -10.222 -0.618 1.00 0.00 C ATOM 604 CE3 TRP A 39 1.723 -8.150 -0.906 1.00 0.00 C ATOM 605 CZ2 TRP A 39 3.963 -9.782 -1.438 1.00 0.00 C ATOM 606 CZ3 TRP A 39 2.753 -7.716 -1.718 1.00 0.00 C ATOM 607 CH2 TRP A 39 3.858 -8.531 -1.980 1.00 0.00 C ATOM 0 H TRP A 39 -0.139 -9.883 3.704 1.00 0.00 H new ATOM 0 HA TRP A 39 0.495 -7.864 1.669 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -0.831 -10.583 1.607 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -1.027 -9.459 0.278 1.00 0.00 H new ATOM 0 HD1 TRP A 39 1.192 -12.178 1.351 1.00 0.00 H new ATOM 0 HE1 TRP A 39 3.420 -12.191 0.039 1.00 0.00 H new ATOM 0 HE3 TRP A 39 0.870 -7.516 -0.714 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 4.820 -10.408 -1.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 2.704 -6.731 -2.158 1.00 0.00 H new ATOM 0 HH2 TRP A 39 4.645 -8.165 -2.623 1.00 0.00 H new ATOM 618 N TRP A 40 -1.534 -6.536 1.980 1.00 0.00 N ATOM 619 CA TRP A 40 -2.742 -5.725 1.955 1.00 0.00 C ATOM 620 C TRP A 40 -3.064 -5.323 0.522 1.00 0.00 C ATOM 621 O TRP A 40 -2.198 -5.374 -0.352 1.00 0.00 O ATOM 622 CB TRP A 40 -2.574 -4.468 2.817 1.00 0.00 C ATOM 623 CG TRP A 40 -2.562 -4.727 4.295 1.00 0.00 C ATOM 624 CD1 TRP A 40 -2.684 -5.932 4.929 1.00 0.00 C ATOM 625 CD2 TRP A 40 -2.438 -3.745 5.327 1.00 0.00 C ATOM 626 NE1 TRP A 40 -2.630 -5.756 6.287 1.00 0.00 N ATOM 627 CE2 TRP A 40 -2.482 -4.426 6.557 1.00 0.00 C ATOM 628 CE3 TRP A 40 -2.286 -2.356 5.331 1.00 0.00 C ATOM 629 CZ2 TRP A 40 -2.387 -3.769 7.774 1.00 0.00 C ATOM 630 CZ3 TRP A 40 -2.196 -1.702 6.546 1.00 0.00 C ATOM 631 CH2 TRP A 40 -2.244 -2.412 7.753 1.00 0.00 C ATOM 0 H TRP A 40 -0.674 -6.011 1.818 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.561 -6.317 2.362 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -1.643 -3.974 2.539 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.383 -3.775 2.588 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -2.805 -6.883 4.432 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -2.691 -6.499 6.983 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -2.240 -1.804 4.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.425 -4.312 8.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.087 -0.628 6.565 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -2.166 -1.874 8.686 1.00 0.00 H new ATOM 642 N ARG A 41 -4.305 -4.927 0.282 1.00 0.00 N ATOM 643 CA ARG A 41 -4.726 -4.510 -1.047 1.00 0.00 C ATOM 644 C ARG A 41 -5.337 -3.118 -1.001 1.00 0.00 C ATOM 645 O ARG A 41 -6.366 -2.890 -0.355 1.00 0.00 O ATOM 646 CB ARG A 41 -5.725 -5.502 -1.639 1.00 0.00 C ATOM 647 CG ARG A 41 -5.244 -6.147 -2.927 1.00 0.00 C ATOM 648 CD ARG A 41 -6.221 -5.919 -4.068 1.00 0.00 C ATOM 649 NE ARG A 41 -7.561 -6.400 -3.748 1.00 0.00 N ATOM 650 CZ ARG A 41 -8.680 -5.725 -4.001 1.00 0.00 C ATOM 651 NH1 ARG A 41 -8.630 -4.539 -4.600 1.00 0.00 N ATOM 652 NH2 ARG A 41 -9.850 -6.245 -3.661 1.00 0.00 N ATOM 0 H ARG A 41 -5.038 -4.886 0.990 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.844 -4.486 -1.687 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.930 -6.282 -0.905 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -6.667 -4.988 -1.829 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.269 -5.740 -3.196 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.111 -7.217 -2.770 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.264 -4.855 -4.300 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.858 -6.426 -4.962 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.646 -7.313 -3.301 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.730 -4.141 -4.869 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.491 -4.027 -4.791 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.890 -7.158 -3.208 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.711 -5.732 -3.852 1.00 0.00 H new ATOM 666 N GLY A 42 -4.699 -2.195 -1.698 1.00 0.00 N ATOM 667 CA GLY A 42 -5.141 -0.817 -1.699 1.00 0.00 C ATOM 668 C GLY A 42 -4.904 -0.140 -3.029 1.00 0.00 C ATOM 669 O GLY A 42 -4.250 -0.700 -3.910 1.00 0.00 O ATOM 0 H GLY A 42 -3.874 -2.377 -2.269 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.203 -0.778 -1.458 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.617 -0.269 -0.916 1.00 0.00 H new ATOM 673 N SER A 43 -5.438 1.058 -3.177 1.00 0.00 N ATOM 674 CA SER A 43 -5.300 1.809 -4.411 1.00 0.00 C ATOM 675 C SER A 43 -4.443 3.052 -4.208 1.00 0.00 C ATOM 676 O SER A 43 -4.624 3.801 -3.249 1.00 0.00 O ATOM 677 CB SER A 43 -6.682 2.187 -4.958 1.00 0.00 C ATOM 678 OG SER A 43 -6.644 3.397 -5.702 1.00 0.00 O ATOM 0 H SER A 43 -5.975 1.535 -2.453 1.00 0.00 H new ATOM 0 HA SER A 43 -4.796 1.175 -5.140 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.054 1.382 -5.592 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.384 2.291 -4.131 1.00 0.00 H new ATOM 0 HG SER A 43 -7.542 3.604 -6.035 1.00 0.00 H new ATOM 684 N TYR A 44 -3.496 3.240 -5.109 1.00 0.00 N ATOM 685 CA TYR A 44 -2.673 4.433 -5.141 1.00 0.00 C ATOM 686 C TYR A 44 -2.954 5.163 -6.443 1.00 0.00 C ATOM 687 O TYR A 44 -2.661 4.625 -7.512 1.00 0.00 O ATOM 688 CB TYR A 44 -1.192 4.050 -5.030 1.00 0.00 C ATOM 689 CG TYR A 44 -0.227 5.201 -5.208 1.00 0.00 C ATOM 690 CD1 TYR A 44 -0.124 6.204 -4.255 1.00 0.00 C ATOM 691 CD2 TYR A 44 0.584 5.279 -6.333 1.00 0.00 C ATOM 692 CE1 TYR A 44 0.759 7.257 -4.420 1.00 0.00 C ATOM 693 CE2 TYR A 44 1.469 6.326 -6.502 1.00 0.00 C ATOM 694 CZ TYR A 44 1.551 7.312 -5.547 1.00 0.00 C ATOM 695 OH TYR A 44 2.437 8.353 -5.718 1.00 0.00 O ATOM 0 H TYR A 44 -3.276 2.566 -5.842 1.00 0.00 H new ATOM 0 HA TYR A 44 -2.908 5.086 -4.300 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.020 3.597 -4.054 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.970 3.289 -5.778 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.742 6.162 -3.371 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.522 4.509 -7.088 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.827 8.031 -3.670 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.095 6.370 -7.381 1.00 0.00 H new ATOM 0 HH TYR A 44 2.917 8.238 -6.564 1.00 0.00 H new ATOM 705 N ASN A 45 -3.539 6.366 -6.322 1.00 0.00 N ATOM 706 CA ASN A 45 -4.067 7.158 -7.452 1.00 0.00 C ATOM 707 C ASN A 45 -3.482 6.764 -8.805 1.00 0.00 C ATOM 708 O ASN A 45 -2.420 7.248 -9.204 1.00 0.00 O ATOM 709 CB ASN A 45 -3.826 8.654 -7.219 1.00 0.00 C ATOM 710 CG ASN A 45 -4.745 9.243 -6.170 1.00 0.00 C ATOM 711 OD1 ASN A 45 -4.421 9.271 -4.982 1.00 0.00 O ATOM 712 ND2 ASN A 45 -5.899 9.720 -6.605 1.00 0.00 N ATOM 0 H ASN A 45 -3.662 6.827 -5.420 1.00 0.00 H new ATOM 0 HA ASN A 45 -5.135 6.942 -7.488 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.791 8.807 -6.915 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.965 9.190 -8.158 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.561 10.132 -5.947 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.127 9.676 -7.598 1.00 0.00 H new ATOM 719 N GLY A 46 -4.178 5.871 -9.499 1.00 0.00 N ATOM 720 CA GLY A 46 -3.721 5.411 -10.794 1.00 0.00 C ATOM 721 C GLY A 46 -3.893 3.913 -10.952 1.00 0.00 C ATOM 722 O GLY A 46 -4.374 3.442 -11.984 1.00 0.00 O ATOM 0 H GLY A 46 -5.055 5.456 -9.185 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.275 5.925 -11.579 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.671 5.672 -10.923 1.00 0.00 H new ATOM 726 N GLN A 47 -3.510 3.164 -9.924 1.00 0.00 N ATOM 727 CA GLN A 47 -3.620 1.708 -9.947 1.00 0.00 C ATOM 728 C GLN A 47 -3.994 1.167 -8.573 1.00 0.00 C ATOM 729 O GLN A 47 -3.830 1.843 -7.556 1.00 0.00 O ATOM 730 CB GLN A 47 -2.308 1.061 -10.409 1.00 0.00 C ATOM 731 CG GLN A 47 -2.014 1.233 -11.894 1.00 0.00 C ATOM 732 CD GLN A 47 -0.753 0.512 -12.321 1.00 0.00 C ATOM 733 OE1 GLN A 47 -0.381 -0.515 -11.752 1.00 0.00 O ATOM 734 NE2 GLN A 47 -0.092 1.036 -13.338 1.00 0.00 N ATOM 0 H GLN A 47 -3.119 3.542 -9.061 1.00 0.00 H new ATOM 0 HA GLN A 47 -4.408 1.455 -10.656 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.485 1.487 -9.836 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.340 -0.004 -10.178 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.857 0.858 -12.474 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.917 2.295 -12.122 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.433 1.888 -13.783 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.759 0.588 -13.678 1.00 0.00 H new ATOM 743 N VAL A 48 -4.502 -0.056 -8.555 1.00 0.00 N ATOM 744 CA VAL A 48 -4.831 -0.741 -7.319 1.00 0.00 C ATOM 745 C VAL A 48 -4.058 -2.052 -7.266 1.00 0.00 C ATOM 746 O VAL A 48 -3.634 -2.564 -8.305 1.00 0.00 O ATOM 747 CB VAL A 48 -6.345 -1.045 -7.232 1.00 0.00 C ATOM 748 CG1 VAL A 48 -6.698 -2.279 -8.048 1.00 0.00 C ATOM 749 CG2 VAL A 48 -6.793 -1.208 -5.788 1.00 0.00 C ATOM 0 H VAL A 48 -4.697 -0.599 -9.396 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.562 -0.097 -6.482 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.879 -0.193 -7.653 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.768 -2.472 -7.971 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.434 -2.113 -9.092 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.146 -3.138 -7.666 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.862 -1.421 -5.760 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.247 -2.032 -5.328 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.592 -0.288 -5.239 1.00 0.00 H new ATOM 759 N GLY A 49 -3.863 -2.593 -6.080 1.00 0.00 N ATOM 760 CA GLY A 49 -3.257 -3.898 -5.989 1.00 0.00 C ATOM 761 C GLY A 49 -2.682 -4.193 -4.624 1.00 0.00 C ATOM 762 O GLY A 49 -3.092 -3.591 -3.629 1.00 0.00 O ATOM 0 H GLY A 49 -4.109 -2.160 -5.190 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.002 -4.655 -6.234 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.466 -3.977 -6.734 1.00 0.00 H new ATOM 766 N TRP A 50 -1.733 -5.115 -4.584 1.00 0.00 N ATOM 767 CA TRP A 50 -1.175 -5.596 -3.331 1.00 0.00 C ATOM 768 C TRP A 50 0.054 -4.799 -2.925 1.00 0.00 C ATOM 769 O TRP A 50 0.892 -4.454 -3.760 1.00 0.00 O ATOM 770 CB TRP A 50 -0.806 -7.074 -3.454 1.00 0.00 C ATOM 771 CG TRP A 50 -1.972 -7.949 -3.786 1.00 0.00 C ATOM 772 CD1 TRP A 50 -2.462 -8.228 -5.029 1.00 0.00 C ATOM 773 CD2 TRP A 50 -2.808 -8.653 -2.860 1.00 0.00 C ATOM 774 NE1 TRP A 50 -3.545 -9.067 -4.932 1.00 0.00 N ATOM 775 CE2 TRP A 50 -3.778 -9.341 -3.612 1.00 0.00 C ATOM 776 CE3 TRP A 50 -2.828 -8.770 -1.466 1.00 0.00 C ATOM 777 CZ2 TRP A 50 -4.759 -10.131 -3.018 1.00 0.00 C ATOM 778 CZ3 TRP A 50 -3.801 -9.556 -0.879 1.00 0.00 C ATOM 779 CH2 TRP A 50 -4.755 -10.228 -1.654 1.00 0.00 C ATOM 0 H TRP A 50 -1.330 -5.549 -5.415 1.00 0.00 H new ATOM 0 HA TRP A 50 -1.935 -5.468 -2.560 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -0.044 -7.188 -4.225 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -0.364 -7.410 -2.516 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -2.057 -7.845 -5.954 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -4.088 -9.427 -5.717 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -2.097 -8.256 -0.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -5.497 -10.649 -3.613 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -3.826 -9.654 0.196 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -5.502 -10.835 -1.164 1.00 0.00 H new ATOM 790 N PHE A 51 0.153 -4.512 -1.639 1.00 0.00 N ATOM 791 CA PHE A 51 1.314 -3.841 -1.086 1.00 0.00 C ATOM 792 C PHE A 51 1.605 -4.401 0.305 1.00 0.00 C ATOM 793 O PHE A 51 0.690 -4.858 0.996 1.00 0.00 O ATOM 794 CB PHE A 51 1.096 -2.316 -1.030 1.00 0.00 C ATOM 795 CG PHE A 51 0.016 -1.871 -0.080 1.00 0.00 C ATOM 796 CD1 PHE A 51 0.299 -1.673 1.261 1.00 0.00 C ATOM 797 CD2 PHE A 51 -1.276 -1.640 -0.526 1.00 0.00 C ATOM 798 CE1 PHE A 51 -0.681 -1.263 2.137 1.00 0.00 C ATOM 799 CE2 PHE A 51 -2.261 -1.229 0.349 1.00 0.00 C ATOM 800 CZ PHE A 51 -1.962 -1.040 1.683 1.00 0.00 C ATOM 0 H PHE A 51 -0.566 -4.737 -0.952 1.00 0.00 H new ATOM 0 HA PHE A 51 2.172 -4.024 -1.732 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.033 -1.839 -0.743 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.850 -1.960 -2.031 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.302 -1.842 1.625 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.514 -1.783 -1.570 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.445 -1.116 3.181 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.265 -1.055 -0.010 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.731 -0.718 2.370 1.00 0.00 H new ATOM 810 N PRO A 52 2.880 -4.403 0.720 1.00 0.00 N ATOM 811 CA PRO A 52 3.283 -4.900 2.037 1.00 0.00 C ATOM 812 C PRO A 52 2.866 -3.959 3.164 1.00 0.00 C ATOM 813 O PRO A 52 3.096 -2.749 3.101 1.00 0.00 O ATOM 814 CB PRO A 52 4.815 -4.985 1.947 1.00 0.00 C ATOM 815 CG PRO A 52 5.150 -4.765 0.508 1.00 0.00 C ATOM 816 CD PRO A 52 4.033 -3.940 -0.055 1.00 0.00 C ATOM 0 HA PRO A 52 2.808 -5.853 2.269 1.00 0.00 H new ATOM 0 HB2 PRO A 52 5.286 -4.231 2.578 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.174 -5.956 2.288 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.105 -4.251 0.404 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.239 -5.714 -0.021 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.209 -2.873 0.077 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.900 -4.111 -1.123 1.00 0.00 H new ATOM 824 N SER A 53 2.267 -4.533 4.198 1.00 0.00 N ATOM 825 CA SER A 53 1.769 -3.777 5.344 1.00 0.00 C ATOM 826 C SER A 53 2.888 -3.037 6.081 1.00 0.00 C ATOM 827 O SER A 53 2.659 -1.983 6.675 1.00 0.00 O ATOM 828 CB SER A 53 1.054 -4.730 6.301 1.00 0.00 C ATOM 829 OG SER A 53 1.850 -5.876 6.562 1.00 0.00 O ATOM 0 H SER A 53 2.111 -5.539 4.268 1.00 0.00 H new ATOM 0 HA SER A 53 1.076 -3.022 4.973 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.833 -4.215 7.236 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.100 -5.035 5.872 1.00 0.00 H new ATOM 0 HG SER A 53 1.546 -6.304 7.390 1.00 0.00 H new ATOM 835 N ASN A 54 4.099 -3.581 6.033 1.00 0.00 N ATOM 836 CA ASN A 54 5.233 -2.981 6.733 1.00 0.00 C ATOM 837 C ASN A 54 5.681 -1.685 6.062 1.00 0.00 C ATOM 838 O ASN A 54 6.490 -0.941 6.616 1.00 0.00 O ATOM 839 CB ASN A 54 6.414 -3.959 6.808 1.00 0.00 C ATOM 840 CG ASN A 54 6.118 -5.182 7.656 1.00 0.00 C ATOM 841 OD1 ASN A 54 5.286 -5.141 8.562 1.00 0.00 O ATOM 842 ND2 ASN A 54 6.808 -6.278 7.375 1.00 0.00 N ATOM 0 H ASN A 54 4.322 -4.433 5.519 1.00 0.00 H new ATOM 0 HA ASN A 54 4.899 -2.750 7.745 1.00 0.00 H new ATOM 0 HB2 ASN A 54 6.679 -4.278 5.800 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.282 -3.441 7.217 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.658 -7.128 7.918 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.489 -6.271 6.616 1.00 0.00 H new ATOM 849 N TYR A 55 5.143 -1.410 4.879 1.00 0.00 N ATOM 850 CA TYR A 55 5.533 -0.228 4.121 1.00 0.00 C ATOM 851 C TYR A 55 4.484 0.877 4.206 1.00 0.00 C ATOM 852 O TYR A 55 4.586 1.883 3.503 1.00 0.00 O ATOM 853 CB TYR A 55 5.775 -0.587 2.651 1.00 0.00 C ATOM 854 CG TYR A 55 7.076 -1.311 2.392 1.00 0.00 C ATOM 855 CD1 TYR A 55 7.267 -2.618 2.817 1.00 0.00 C ATOM 856 CD2 TYR A 55 8.113 -0.684 1.712 1.00 0.00 C ATOM 857 CE1 TYR A 55 8.452 -3.280 2.572 1.00 0.00 C ATOM 858 CE2 TYR A 55 9.301 -1.342 1.462 1.00 0.00 C ATOM 859 CZ TYR A 55 9.466 -2.639 1.895 1.00 0.00 C ATOM 860 OH TYR A 55 10.647 -3.297 1.648 1.00 0.00 O ATOM 0 H TYR A 55 4.437 -1.989 4.425 1.00 0.00 H new ATOM 0 HA TYR A 55 6.456 0.144 4.565 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.951 -1.209 2.301 1.00 0.00 H new ATOM 0 HB3 TYR A 55 5.758 0.328 2.059 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.475 -3.125 3.348 1.00 0.00 H new ATOM 0 HD2 TYR A 55 7.988 0.334 1.374 1.00 0.00 H new ATOM 0 HE1 TYR A 55 8.584 -4.297 2.910 1.00 0.00 H new ATOM 0 HE2 TYR A 55 10.097 -0.842 0.930 1.00 0.00 H new ATOM 0 HH TYR A 55 11.256 -2.704 1.160 1.00 0.00 H new ATOM 870 N VAL A 56 3.481 0.708 5.060 1.00 0.00 N ATOM 871 CA VAL A 56 2.428 1.712 5.169 1.00 0.00 C ATOM 872 C VAL A 56 2.153 2.138 6.605 1.00 0.00 C ATOM 873 O VAL A 56 2.260 1.352 7.550 1.00 0.00 O ATOM 874 CB VAL A 56 1.108 1.249 4.534 1.00 0.00 C ATOM 875 CG1 VAL A 56 1.248 1.175 3.024 1.00 0.00 C ATOM 876 CG2 VAL A 56 0.674 -0.086 5.109 1.00 0.00 C ATOM 0 H VAL A 56 3.374 -0.098 5.676 1.00 0.00 H new ATOM 0 HA VAL A 56 2.813 2.571 4.619 1.00 0.00 H new ATOM 0 HB VAL A 56 0.334 1.979 4.769 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.305 0.846 2.587 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.504 2.160 2.634 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.035 0.466 2.766 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.263 -0.395 4.645 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.441 -0.834 4.910 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.531 0.011 6.185 1.00 0.00 H new ATOM 886 N THR A 57 1.815 3.408 6.733 1.00 0.00 N ATOM 887 CA THR A 57 1.362 4.003 7.971 1.00 0.00 C ATOM 888 C THR A 57 -0.153 4.154 7.937 1.00 0.00 C ATOM 889 O THR A 57 -0.669 5.011 7.225 1.00 0.00 O ATOM 890 CB THR A 57 1.997 5.398 8.151 1.00 0.00 C ATOM 891 OG1 THR A 57 3.417 5.280 8.237 1.00 0.00 O ATOM 892 CG2 THR A 57 1.460 6.108 9.385 1.00 0.00 C ATOM 0 H THR A 57 1.850 4.069 5.957 1.00 0.00 H new ATOM 0 HA THR A 57 1.656 3.359 8.800 1.00 0.00 H new ATOM 0 HB THR A 57 1.731 5.998 7.281 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.813 6.169 8.349 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.932 7.086 9.476 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.381 6.233 9.292 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.682 5.514 10.272 1.00 0.00 H new ATOM 900 N GLU A 58 -0.865 3.302 8.666 1.00 0.00 N ATOM 901 CA GLU A 58 -2.319 3.416 8.752 1.00 0.00 C ATOM 902 C GLU A 58 -2.695 4.806 9.249 1.00 0.00 C ATOM 903 O GLU A 58 -3.258 5.612 8.514 1.00 0.00 O ATOM 904 CB GLU A 58 -2.878 2.344 9.687 1.00 0.00 C ATOM 905 CG GLU A 58 -2.617 0.934 9.196 1.00 0.00 C ATOM 906 CD GLU A 58 -3.056 -0.124 10.191 1.00 0.00 C ATOM 907 OE1 GLU A 58 -2.306 -0.381 11.152 1.00 0.00 O ATOM 908 OE2 GLU A 58 -4.148 -0.711 10.007 1.00 0.00 O ATOM 0 H GLU A 58 -0.466 2.531 9.202 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.750 3.266 7.762 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.436 2.466 10.676 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.952 2.491 9.798 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.141 0.779 8.253 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.553 0.816 8.992 1.00 0.00 H new