USER MOD reduce.3.24.130724 H: found=0, std=0, add=250, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 252 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 LYS N :NH3+ 156:sc= 0.00666 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 8 HIS : no HD1:sc= -0.114 X(o=-0.11,f=-0.28) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 9:sc= 1.04 USER MOD Single : A 17 ASN : amide:sc= -1.67 K(o=-1.7,f=-2.3) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.454 X(o=-0.45,f=-0.54) USER MOD Single : A 31 ASN : amide:sc= -0.0221 X(o=-0.022,f=-0.33) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.038) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 13.064 5.661 11.811 1.00 0.00 N ATOM 2 CA LYS A 1 13.430 5.639 10.398 1.00 0.00 C ATOM 3 C LYS A 1 14.404 4.522 10.106 1.00 0.00 C ATOM 4 O LYS A 1 15.251 4.163 10.928 1.00 0.00 O ATOM 5 CB LYS A 1 14.028 7.016 9.998 1.00 0.00 C ATOM 6 CG LYS A 1 15.381 6.905 9.252 1.00 0.00 C ATOM 7 CD LYS A 1 16.097 8.237 9.014 1.00 0.00 C ATOM 8 CE LYS A 1 15.578 9.278 10.016 1.00 0.00 C ATOM 9 NZ LYS A 1 16.570 10.359 10.156 1.00 0.00 N ATOM 0 H1 LYS A 1 12.749 6.617 12.073 1.00 0.00 H new ATOM 0 H2 LYS A 1 12.293 4.984 11.980 1.00 0.00 H new ATOM 0 H3 LYS A 1 13.889 5.398 12.387 1.00 0.00 H new ATOM 0 HA LYS A 1 12.535 5.453 9.804 1.00 0.00 H new ATOM 0 HB2 LYS A 1 13.315 7.544 9.365 1.00 0.00 H new ATOM 0 HB3 LYS A 1 14.165 7.619 10.896 1.00 0.00 H new ATOM 0 HG2 LYS A 1 16.041 6.251 9.822 1.00 0.00 H new ATOM 0 HG3 LYS A 1 15.210 6.424 8.289 1.00 0.00 H new ATOM 0 HD2 LYS A 1 17.173 8.110 9.129 1.00 0.00 H new ATOM 0 HD3 LYS A 1 15.923 8.579 7.994 1.00 0.00 H new ATOM 0 HE2 LYS A 1 14.626 9.685 9.675 1.00 0.00 H new ATOM 0 HE3 LYS A 1 15.396 8.809 10.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 16.220 11.065 10.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 17.468 9.963 10.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 16.722 10.812 9.232 1.00 0.00 H new ATOM 25 N TYR A 2 14.298 3.959 8.917 1.00 0.00 N ATOM 26 CA TYR A 2 15.137 2.833 8.517 1.00 0.00 C ATOM 27 C TYR A 2 14.746 2.322 7.152 1.00 0.00 C ATOM 28 O TYR A 2 14.118 1.267 7.001 1.00 0.00 O ATOM 29 CB TYR A 2 14.998 1.655 9.528 1.00 0.00 C ATOM 30 CG TYR A 2 13.574 1.244 9.921 1.00 0.00 C ATOM 31 CD1 TYR A 2 12.721 2.177 10.520 1.00 0.00 C ATOM 32 CD2 TYR A 2 13.120 -0.060 9.696 1.00 0.00 C ATOM 33 CE1 TYR A 2 11.429 1.812 10.886 1.00 0.00 C ATOM 34 CE2 TYR A 2 11.826 -0.422 10.063 1.00 0.00 C ATOM 35 CZ TYR A 2 10.983 0.513 10.657 1.00 0.00 C ATOM 36 OH TYR A 2 9.713 0.154 11.012 1.00 0.00 O ATOM 0 H TYR A 2 13.636 4.262 8.203 1.00 0.00 H new ATOM 0 HA TYR A 2 16.166 3.193 8.497 1.00 0.00 H new ATOM 0 HB2 TYR A 2 15.498 0.784 9.105 1.00 0.00 H new ATOM 0 HB3 TYR A 2 15.537 1.922 10.437 1.00 0.00 H new ATOM 0 HD1 TYR A 2 13.067 3.184 10.699 1.00 0.00 H new ATOM 0 HD2 TYR A 2 13.774 -0.787 9.237 1.00 0.00 H new ATOM 0 HE1 TYR A 2 10.773 2.535 11.347 1.00 0.00 H new ATOM 0 HE2 TYR A 2 11.477 -1.429 9.887 1.00 0.00 H new ATOM 0 HH TYR A 2 9.563 -0.787 10.782 1.00 0.00 H new ATOM 46 N TYR A 3 15.122 3.056 6.126 1.00 0.00 N ATOM 47 CA TYR A 3 14.731 2.776 4.746 1.00 0.00 C ATOM 48 C TYR A 3 15.781 1.966 4.029 1.00 0.00 C ATOM 49 O TYR A 3 15.813 1.896 2.789 1.00 0.00 O ATOM 50 CB TYR A 3 14.589 4.140 3.987 1.00 0.00 C ATOM 51 CG TYR A 3 15.389 5.346 4.531 1.00 0.00 C ATOM 52 CD1 TYR A 3 16.721 5.490 4.105 1.00 0.00 C ATOM 53 CD2 TYR A 3 14.845 6.276 5.416 1.00 0.00 C ATOM 54 CE1 TYR A 3 17.457 6.608 4.483 1.00 0.00 C ATOM 55 CE2 TYR A 3 15.589 7.394 5.794 1.00 0.00 C ATOM 56 CZ TYR A 3 16.889 7.561 5.326 1.00 0.00 C ATOM 57 OH TYR A 3 17.614 8.659 5.695 1.00 0.00 O ATOM 0 H TYR A 3 15.717 3.879 6.221 1.00 0.00 H new ATOM 0 HA TYR A 3 13.797 2.215 4.763 1.00 0.00 H new ATOM 0 HB2 TYR A 3 14.885 3.980 2.950 1.00 0.00 H new ATOM 0 HB3 TYR A 3 13.534 4.412 3.979 1.00 0.00 H new ATOM 0 HD1 TYR A 3 17.173 4.731 3.483 1.00 0.00 H new ATOM 0 HD2 TYR A 3 13.849 6.131 5.808 1.00 0.00 H new ATOM 0 HE1 TYR A 3 18.467 6.737 4.124 1.00 0.00 H new ATOM 0 HE2 TYR A 3 15.155 8.132 6.452 1.00 0.00 H new ATOM 0 HH TYR A 3 17.073 9.226 6.284 1.00 0.00 H new ATOM 67 N GLY A 4 16.661 1.320 4.770 1.00 0.00 N ATOM 68 CA GLY A 4 17.817 0.646 4.190 1.00 0.00 C ATOM 69 C GLY A 4 17.454 -0.607 3.434 1.00 0.00 C ATOM 70 O GLY A 4 16.479 -0.682 2.681 1.00 0.00 O ATOM 0 H GLY A 4 16.600 1.245 5.785 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.331 1.333 3.517 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.519 0.393 4.985 1.00 0.00 H new ATOM 74 N ASN A 5 18.251 -1.646 3.639 1.00 0.00 N ATOM 75 CA ASN A 5 18.105 -2.888 2.886 1.00 0.00 C ATOM 76 C ASN A 5 16.816 -3.588 3.243 1.00 0.00 C ATOM 77 O ASN A 5 16.537 -3.891 4.406 1.00 0.00 O ATOM 78 CB ASN A 5 19.334 -3.805 3.158 1.00 0.00 C ATOM 79 CG ASN A 5 20.607 -3.507 2.357 1.00 0.00 C ATOM 80 OD1 ASN A 5 20.858 -2.392 1.925 1.00 0.00 O ATOM 81 ND2 ASN A 5 21.436 -4.484 2.107 1.00 0.00 N ATOM 0 H ASN A 5 19.008 -1.655 4.322 1.00 0.00 H new ATOM 0 HA ASN A 5 18.064 -2.656 1.822 1.00 0.00 H new ATOM 0 HB2 ASN A 5 19.577 -3.742 4.219 1.00 0.00 H new ATOM 0 HB3 ASN A 5 19.040 -4.836 2.959 1.00 0.00 H new ATOM 0 HD21 ASN A 5 22.278 -4.310 1.558 1.00 0.00 H new ATOM 0 HD22 ASN A 5 21.241 -5.421 2.460 1.00 0.00 H new ATOM 88 N GLY A 6 16.001 -3.843 2.236 1.00 0.00 N ATOM 89 CA GLY A 6 14.736 -4.548 2.419 1.00 0.00 C ATOM 90 C GLY A 6 13.618 -3.583 2.735 1.00 0.00 C ATOM 91 O GLY A 6 12.742 -3.848 3.564 1.00 0.00 O ATOM 0 H GLY A 6 16.191 -3.571 1.272 1.00 0.00 H new ATOM 0 HA2 GLY A 6 14.494 -5.107 1.515 1.00 0.00 H new ATOM 0 HA3 GLY A 6 14.834 -5.274 3.226 1.00 0.00 H new ATOM 95 N VAL A 7 13.626 -2.445 2.067 1.00 0.00 N ATOM 96 CA VAL A 7 12.547 -1.469 2.192 1.00 0.00 C ATOM 97 C VAL A 7 12.007 -1.083 0.835 1.00 0.00 C ATOM 98 O VAL A 7 10.796 -1.057 0.597 1.00 0.00 O ATOM 99 CB VAL A 7 13.061 -0.197 2.975 1.00 0.00 C ATOM 100 CG1 VAL A 7 12.285 1.127 2.724 1.00 0.00 C ATOM 101 CG2 VAL A 7 13.077 -0.370 4.513 1.00 0.00 C ATOM 0 H VAL A 7 14.370 -2.168 1.427 1.00 0.00 H new ATOM 0 HA VAL A 7 11.731 -1.922 2.755 1.00 0.00 H new ATOM 0 HB VAL A 7 14.066 -0.116 2.560 1.00 0.00 H new ATOM 0 HG11 VAL A 7 12.730 1.927 3.315 1.00 0.00 H new ATOM 0 HG12 VAL A 7 12.338 1.385 1.666 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.242 0.998 3.014 1.00 0.00 H new ATOM 0 HG21 VAL A 7 13.442 0.546 4.978 1.00 0.00 H new ATOM 0 HG22 VAL A 7 12.067 -0.579 4.866 1.00 0.00 H new ATOM 0 HG23 VAL A 7 13.733 -1.199 4.779 1.00 0.00 H new ATOM 111 N HIS A 8 12.907 -0.762 -0.077 1.00 0.00 N ATOM 112 CA HIS A 8 12.523 -0.310 -1.411 1.00 0.00 C ATOM 113 C HIS A 8 11.712 0.962 -1.338 1.00 0.00 C ATOM 114 O HIS A 8 10.521 0.997 -1.656 1.00 0.00 O ATOM 115 CB HIS A 8 11.687 -1.443 -2.028 1.00 0.00 C ATOM 116 CG HIS A 8 11.685 -1.400 -3.528 1.00 0.00 C ATOM 117 ND1 HIS A 8 12.718 -0.924 -4.331 1.00 0.00 N ATOM 118 CD2 HIS A 8 10.614 -1.848 -4.290 1.00 0.00 C ATOM 119 CE1 HIS A 8 12.176 -1.126 -5.547 1.00 0.00 C ATOM 120 NE2 HIS A 8 10.931 -1.670 -5.611 1.00 0.00 N ATOM 0 H HIS A 8 13.914 -0.805 0.079 1.00 0.00 H new ATOM 0 HA HIS A 8 13.403 -0.090 -2.015 1.00 0.00 H new ATOM 0 HB2 HIS A 8 12.080 -2.404 -1.695 1.00 0.00 H new ATOM 0 HB3 HIS A 8 10.662 -1.374 -1.664 1.00 0.00 H new ATOM 0 HD2 HIS A 8 9.693 -2.264 -3.908 1.00 0.00 H new ATOM 0 HE1 HIS A 8 12.714 -0.864 -6.446 1.00 0.00 H new ATOM 0 HE2 HIS A 8 10.373 -1.890 -6.436 1.00 0.00 H new ATOM 129 N CYS A 9 12.355 2.034 -0.912 1.00 0.00 N ATOM 130 CA CYS A 9 11.719 3.347 -0.855 1.00 0.00 C ATOM 131 C CYS A 9 11.720 4.008 -2.213 1.00 0.00 C ATOM 132 O CYS A 9 12.685 4.658 -2.623 1.00 0.00 O ATOM 133 CB CYS A 9 12.439 4.194 0.212 1.00 0.00 C ATOM 134 SG CYS A 9 11.755 5.866 0.271 1.00 0.00 S ATOM 0 H CYS A 9 13.325 2.025 -0.597 1.00 0.00 H new ATOM 0 HA CYS A 9 10.672 3.245 -0.570 1.00 0.00 H new ATOM 0 HB2 CYS A 9 12.338 3.720 1.188 1.00 0.00 H new ATOM 0 HB3 CYS A 9 13.505 4.240 -0.011 1.00 0.00 H new ATOM 139 N THR A 10 10.622 3.857 -2.929 1.00 0.00 N ATOM 140 CA THR A 10 10.513 4.344 -4.303 1.00 0.00 C ATOM 141 C THR A 10 9.734 5.637 -4.351 1.00 0.00 C ATOM 142 O THR A 10 9.596 6.345 -3.342 1.00 0.00 O ATOM 143 CB THR A 10 9.864 3.247 -5.217 1.00 0.00 C ATOM 144 OG1 THR A 10 10.421 3.295 -6.524 1.00 0.00 O ATOM 145 CG2 THR A 10 8.339 3.344 -5.440 1.00 0.00 C ATOM 0 H THR A 10 9.781 3.396 -2.582 1.00 0.00 H new ATOM 0 HA THR A 10 11.513 4.550 -4.684 1.00 0.00 H new ATOM 0 HB THR A 10 10.073 2.331 -4.664 1.00 0.00 H new ATOM 0 HG1 THR A 10 10.007 2.603 -7.082 1.00 0.00 H new ATOM 0 HG21 THR A 10 8.014 2.530 -6.088 1.00 0.00 H new ATOM 0 HG22 THR A 10 7.826 3.272 -4.481 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.100 4.299 -5.908 1.00 0.00 H new ATOM 153 N LYS A 11 9.199 5.977 -5.508 1.00 0.00 N ATOM 154 CA LYS A 11 8.424 7.206 -5.670 1.00 0.00 C ATOM 155 C LYS A 11 6.942 6.942 -5.547 1.00 0.00 C ATOM 156 O LYS A 11 6.115 7.531 -6.252 1.00 0.00 O ATOM 157 CB LYS A 11 8.760 7.848 -7.044 1.00 0.00 C ATOM 158 CG LYS A 11 8.819 6.824 -8.205 1.00 0.00 C ATOM 159 CD LYS A 11 7.594 6.818 -9.123 1.00 0.00 C ATOM 160 CE LYS A 11 7.196 8.265 -9.446 1.00 0.00 C ATOM 161 NZ LYS A 11 6.444 8.295 -10.713 1.00 0.00 N ATOM 0 H LYS A 11 9.284 5.420 -6.358 1.00 0.00 H new ATOM 0 HA LYS A 11 8.694 7.899 -4.873 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.011 8.605 -7.275 1.00 0.00 H new ATOM 0 HB3 LYS A 11 9.720 8.360 -6.972 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.704 7.030 -8.807 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.944 5.826 -7.784 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.817 6.276 -10.042 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.766 6.300 -8.640 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.588 8.675 -8.640 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.086 8.890 -9.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.174 9.275 -10.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.039 7.920 -11.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.588 7.712 -10.622 1.00 0.00 H new ATOM 175 N SER A 12 6.578 6.040 -4.654 1.00 0.00 N ATOM 176 CA SER A 12 5.176 5.768 -4.349 1.00 0.00 C ATOM 177 C SER A 12 4.957 5.691 -2.856 1.00 0.00 C ATOM 178 O SER A 12 3.980 6.209 -2.309 1.00 0.00 O ATOM 179 CB SER A 12 4.694 4.482 -5.064 1.00 0.00 C ATOM 180 OG SER A 12 4.236 4.725 -6.399 1.00 0.00 O ATOM 0 H SER A 12 7.238 5.475 -4.120 1.00 0.00 H new ATOM 0 HA SER A 12 4.576 6.596 -4.727 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.510 3.760 -5.091 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.888 4.031 -4.485 1.00 0.00 H new ATOM 0 HG SER A 12 3.946 3.881 -6.804 1.00 0.00 H new ATOM 186 N GLY A 13 5.871 5.023 -2.175 1.00 0.00 N ATOM 187 CA GLY A 13 5.860 4.955 -0.716 1.00 0.00 C ATOM 188 C GLY A 13 6.871 3.954 -0.211 1.00 0.00 C ATOM 189 O GLY A 13 7.164 2.942 -0.858 1.00 0.00 O ATOM 0 H GLY A 13 6.640 4.513 -2.610 1.00 0.00 H new ATOM 0 HA2 GLY A 13 6.079 5.939 -0.301 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.865 4.678 -0.369 1.00 0.00 H new ATOM 193 N CYS A 14 7.432 4.224 0.951 1.00 0.00 N ATOM 194 CA CYS A 14 8.444 3.347 1.546 1.00 0.00 C ATOM 195 C CYS A 14 7.884 2.678 2.783 1.00 0.00 C ATOM 196 O CYS A 14 6.682 2.367 2.842 1.00 0.00 O ATOM 197 CB CYS A 14 9.711 4.192 1.795 1.00 0.00 C ATOM 198 SG CYS A 14 9.771 5.601 0.666 1.00 0.00 S ATOM 0 H CYS A 14 7.208 5.046 1.511 1.00 0.00 H new ATOM 0 HA CYS A 14 8.722 2.529 0.881 1.00 0.00 H new ATOM 0 HB2 CYS A 14 9.722 4.545 2.826 1.00 0.00 H new ATOM 0 HB3 CYS A 14 10.599 3.574 1.661 1.00 0.00 H new ATOM 203 N SER A 15 8.706 2.460 3.790 1.00 0.00 N ATOM 204 CA SER A 15 8.315 1.713 4.985 1.00 0.00 C ATOM 205 C SER A 15 7.532 0.472 4.628 1.00 0.00 C ATOM 206 O SER A 15 6.368 0.305 5.008 1.00 0.00 O ATOM 207 CB SER A 15 7.529 2.619 5.966 1.00 0.00 C ATOM 208 OG SER A 15 6.332 3.159 5.393 1.00 0.00 O ATOM 0 H SER A 15 9.669 2.794 3.810 1.00 0.00 H new ATOM 0 HA SER A 15 9.224 1.385 5.489 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.272 2.044 6.856 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.172 3.438 6.290 1.00 0.00 H new ATOM 0 HG SER A 15 6.165 2.736 4.525 1.00 0.00 H new ATOM 214 N VAL A 16 8.156 -0.419 3.881 1.00 0.00 N ATOM 215 CA VAL A 16 7.473 -1.602 3.362 1.00 0.00 C ATOM 216 C VAL A 16 7.889 -2.853 4.100 1.00 0.00 C ATOM 217 O VAL A 16 9.050 -3.271 4.074 1.00 0.00 O ATOM 218 CB VAL A 16 7.763 -1.745 1.814 1.00 0.00 C ATOM 219 CG1 VAL A 16 6.900 -2.821 1.111 1.00 0.00 C ATOM 220 CG2 VAL A 16 7.593 -0.459 0.959 1.00 0.00 C ATOM 0 H VAL A 16 9.139 -0.351 3.616 1.00 0.00 H new ATOM 0 HA VAL A 16 6.402 -1.476 3.518 1.00 0.00 H new ATOM 0 HB VAL A 16 8.817 -2.022 1.846 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.157 -2.859 0.052 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.089 -3.793 1.566 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.845 -2.569 1.219 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.819 -0.683 -0.084 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.566 -0.102 1.039 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.274 0.311 1.321 1.00 0.00 H new ATOM 230 N ASN A 17 6.934 -3.477 4.763 1.00 0.00 N ATOM 231 CA ASN A 17 7.149 -4.766 5.417 1.00 0.00 C ATOM 232 C ASN A 17 6.732 -5.899 4.508 1.00 0.00 C ATOM 233 O ASN A 17 5.567 -6.015 4.111 1.00 0.00 O ATOM 234 CB ASN A 17 6.357 -4.812 6.756 1.00 0.00 C ATOM 235 CG ASN A 17 7.067 -5.431 7.964 1.00 0.00 C ATOM 236 OD1 ASN A 17 8.173 -5.944 7.880 1.00 0.00 O ATOM 237 ND2 ASN A 17 6.467 -5.411 9.124 1.00 0.00 N ATOM 0 H ASN A 17 5.988 -3.111 4.867 1.00 0.00 H new ATOM 0 HA ASN A 17 8.211 -4.883 5.632 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.073 -3.792 7.016 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.434 -5.367 6.585 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.922 -5.819 9.941 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.544 -4.987 9.213 1.00 0.00 H new ATOM 244 N TRP A 18 7.677 -6.747 4.148 1.00 0.00 N ATOM 245 CA TRP A 18 7.426 -7.810 3.177 1.00 0.00 C ATOM 246 C TRP A 18 6.915 -9.063 3.845 1.00 0.00 C ATOM 247 O TRP A 18 6.115 -9.820 3.280 1.00 0.00 O ATOM 248 CB TRP A 18 8.746 -8.121 2.418 1.00 0.00 C ATOM 249 CG TRP A 18 9.305 -6.955 1.597 1.00 0.00 C ATOM 250 CD1 TRP A 18 10.591 -6.393 1.733 1.00 0.00 C ATOM 251 CD2 TRP A 18 8.682 -6.237 0.598 1.00 0.00 C ATOM 252 NE1 TRP A 18 10.792 -5.332 0.829 1.00 0.00 N ATOM 253 CE2 TRP A 18 9.594 -5.254 0.137 1.00 0.00 C ATOM 254 CE3 TRP A 18 7.384 -6.338 0.035 1.00 0.00 C ATOM 255 CZ2 TRP A 18 9.217 -4.374 -0.901 1.00 0.00 C ATOM 256 CZ3 TRP A 18 7.015 -5.420 -0.949 1.00 0.00 C ATOM 257 CH2 TRP A 18 7.922 -4.459 -1.419 1.00 0.00 C ATOM 0 H TRP A 18 8.630 -6.725 4.511 1.00 0.00 H new ATOM 0 HA TRP A 18 6.659 -7.469 2.482 1.00 0.00 H new ATOM 0 HB2 TRP A 18 9.500 -8.432 3.141 1.00 0.00 H new ATOM 0 HB3 TRP A 18 8.575 -8.967 1.752 1.00 0.00 H new ATOM 0 HD1 TRP A 18 11.330 -6.734 2.443 1.00 0.00 H new ATOM 0 HE1 TRP A 18 11.625 -4.755 0.711 1.00 0.00 H new ATOM 0 HE3 TRP A 18 6.698 -7.106 0.360 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 9.917 -3.648 -1.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 6.015 -5.450 -1.355 1.00 0.00 H new ATOM 0 HH2 TRP A 18 7.614 -3.773 -2.194 1.00 0.00 H new ATOM 268 N GLY A 19 7.374 -9.321 5.055 1.00 0.00 N ATOM 269 CA GLY A 19 6.865 -10.439 5.847 1.00 0.00 C ATOM 270 C GLY A 19 5.436 -10.186 6.272 1.00 0.00 C ATOM 271 O GLY A 19 4.563 -11.055 6.197 1.00 0.00 O ATOM 0 H GLY A 19 8.100 -8.774 5.517 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.919 -11.358 5.264 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.492 -10.583 6.727 1.00 0.00 H new ATOM 275 N GLU A 20 5.180 -8.968 6.715 1.00 0.00 N ATOM 276 CA GLU A 20 3.852 -8.564 7.167 1.00 0.00 C ATOM 277 C GLU A 20 2.907 -8.370 6.006 1.00 0.00 C ATOM 278 O GLU A 20 1.679 -8.473 6.151 1.00 0.00 O ATOM 279 CB GLU A 20 3.996 -7.257 7.998 1.00 0.00 C ATOM 280 CG GLU A 20 3.647 -7.333 9.521 1.00 0.00 C ATOM 281 CD GLU A 20 2.244 -6.916 9.968 1.00 0.00 C ATOM 282 OE1 GLU A 20 1.471 -7.677 10.534 1.00 0.00 O ATOM 283 OE2 GLU A 20 1.939 -5.621 9.676 1.00 0.00 O ATOM 0 H GLU A 20 5.882 -8.230 6.773 1.00 0.00 H new ATOM 0 HA GLU A 20 3.424 -9.352 7.787 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.025 -6.910 7.905 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.360 -6.497 7.544 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.808 -8.360 9.848 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.365 -6.712 10.057 1.00 0.00 H new ATOM 291 N ALA A 21 3.441 -8.073 4.837 1.00 0.00 N ATOM 292 CA ALA A 21 2.622 -7.920 3.634 1.00 0.00 C ATOM 293 C ALA A 21 2.291 -9.254 3.009 1.00 0.00 C ATOM 294 O ALA A 21 1.365 -9.367 2.190 1.00 0.00 O ATOM 295 CB ALA A 21 3.379 -6.987 2.675 1.00 0.00 C ATOM 0 H ALA A 21 4.440 -7.931 4.687 1.00 0.00 H new ATOM 0 HA ALA A 21 1.657 -7.478 3.884 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.796 -6.850 1.764 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.535 -6.021 3.155 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.344 -7.428 2.425 1.00 0.00 H new ATOM 301 N PHE A 22 3.042 -10.286 3.344 1.00 0.00 N ATOM 302 CA PHE A 22 2.709 -11.645 2.919 1.00 0.00 C ATOM 303 C PHE A 22 1.640 -12.220 3.824 1.00 0.00 C ATOM 304 O PHE A 22 0.792 -13.010 3.404 1.00 0.00 O ATOM 305 CB PHE A 22 3.973 -12.554 2.966 1.00 0.00 C ATOM 306 CG PHE A 22 3.794 -14.001 2.479 1.00 0.00 C ATOM 307 CD1 PHE A 22 3.248 -14.960 3.340 1.00 0.00 C ATOM 308 CD2 PHE A 22 4.158 -14.368 1.182 1.00 0.00 C ATOM 309 CE1 PHE A 22 3.070 -16.270 2.909 1.00 0.00 C ATOM 310 CE2 PHE A 22 3.977 -15.680 0.750 1.00 0.00 C ATOM 311 CZ PHE A 22 3.434 -16.630 1.613 1.00 0.00 C ATOM 0 H PHE A 22 3.888 -10.216 3.909 1.00 0.00 H new ATOM 0 HA PHE A 22 2.338 -11.607 1.895 1.00 0.00 H new ATOM 0 HB2 PHE A 22 4.753 -12.086 2.366 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.335 -12.582 3.994 1.00 0.00 H new ATOM 0 HD1 PHE A 22 2.964 -14.681 4.344 1.00 0.00 H new ATOM 0 HD2 PHE A 22 4.581 -13.633 0.512 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.650 -17.007 3.578 1.00 0.00 H new ATOM 0 HE2 PHE A 22 4.258 -15.961 -0.254 1.00 0.00 H new ATOM 0 HZ PHE A 22 3.295 -17.647 1.277 1.00 0.00 H new ATOM 321 N SER A 23 1.673 -11.808 5.077 1.00 0.00 N ATOM 322 CA SER A 23 0.623 -12.148 6.032 1.00 0.00 C ATOM 323 C SER A 23 -0.588 -11.266 5.820 1.00 0.00 C ATOM 324 O SER A 23 -1.733 -11.665 6.054 1.00 0.00 O ATOM 325 CB SER A 23 1.146 -12.067 7.488 1.00 0.00 C ATOM 326 OG SER A 23 0.107 -12.215 8.462 1.00 0.00 O ATOM 0 H SER A 23 2.420 -11.232 5.464 1.00 0.00 H new ATOM 0 HA SER A 23 0.318 -13.180 5.859 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.896 -12.843 7.643 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.643 -11.109 7.637 1.00 0.00 H new ATOM 0 HG SER A 23 0.491 -12.158 9.362 1.00 0.00 H new ATOM 332 N ALA A 24 -0.351 -10.054 5.355 1.00 0.00 N ATOM 333 CA ALA A 24 -1.435 -9.138 4.999 1.00 0.00 C ATOM 334 C ALA A 24 -1.935 -9.372 3.592 1.00 0.00 C ATOM 335 O ALA A 24 -3.050 -8.960 3.231 1.00 0.00 O ATOM 336 CB ALA A 24 -0.913 -7.705 5.211 1.00 0.00 C ATOM 0 H ALA A 24 0.584 -9.673 5.212 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.302 -9.311 5.636 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.696 -6.991 4.955 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.628 -7.572 6.255 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.045 -7.536 4.574 1.00 0.00 H new ATOM 342 N GLY A 25 -1.143 -10.028 2.768 1.00 0.00 N ATOM 343 CA GLY A 25 -1.583 -10.413 1.424 1.00 0.00 C ATOM 344 C GLY A 25 -2.325 -11.731 1.499 1.00 0.00 C ATOM 345 O GLY A 25 -3.391 -11.927 0.912 1.00 0.00 O ATOM 0 H GLY A 25 -0.190 -10.310 2.997 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.230 -9.642 1.006 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.724 -10.503 0.759 1.00 0.00 H new ATOM 349 N VAL A 26 -1.745 -12.652 2.254 1.00 0.00 N ATOM 350 CA VAL A 26 -2.398 -13.920 2.560 1.00 0.00 C ATOM 351 C VAL A 26 -3.745 -13.685 3.203 1.00 0.00 C ATOM 352 O VAL A 26 -4.725 -14.388 2.941 1.00 0.00 O ATOM 353 CB VAL A 26 -1.474 -14.788 3.503 1.00 0.00 C ATOM 354 CG1 VAL A 26 -2.179 -15.908 4.319 1.00 0.00 C ATOM 355 CG2 VAL A 26 -0.310 -15.493 2.766 1.00 0.00 C ATOM 0 H VAL A 26 -0.819 -12.546 2.669 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.559 -14.464 1.630 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.120 -14.012 4.182 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.443 -16.433 4.927 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.935 -15.465 4.967 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.654 -16.612 3.636 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.278 -16.068 3.481 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.713 -16.162 2.006 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.326 -14.746 2.292 1.00 0.00 H new ATOM 365 N HIS A 27 -3.817 -12.676 4.053 1.00 0.00 N ATOM 366 CA HIS A 27 -5.072 -12.309 4.705 1.00 0.00 C ATOM 367 C HIS A 27 -5.987 -11.581 3.749 1.00 0.00 C ATOM 368 O HIS A 27 -7.214 -11.705 3.797 1.00 0.00 O ATOM 369 CB HIS A 27 -4.695 -11.397 5.885 1.00 0.00 C ATOM 370 CG HIS A 27 -4.635 -12.144 7.186 1.00 0.00 C ATOM 371 ND1 HIS A 27 -3.708 -11.934 8.203 1.00 0.00 N ATOM 372 CD2 HIS A 27 -5.529 -13.153 7.513 1.00 0.00 C ATOM 373 CE1 HIS A 27 -4.126 -12.857 9.089 1.00 0.00 C ATOM 374 NE2 HIS A 27 -5.201 -13.623 8.759 1.00 0.00 N ATOM 0 H HIS A 27 -3.022 -12.092 4.312 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.609 -13.196 5.041 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -3.728 -10.935 5.689 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.424 -10.590 5.965 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.341 -13.506 6.895 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.622 -12.986 10.036 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -5.650 -14.361 9.302 1.00 0.00 H new ATOM 383 N ARG A 28 -5.396 -10.800 2.865 1.00 0.00 N ATOM 384 CA ARG A 28 -6.151 -10.073 1.848 1.00 0.00 C ATOM 385 C ARG A 28 -6.973 -11.019 1.005 1.00 0.00 C ATOM 386 O ARG A 28 -8.159 -10.799 0.743 1.00 0.00 O ATOM 387 CB ARG A 28 -5.160 -9.253 0.976 1.00 0.00 C ATOM 388 CG ARG A 28 -5.513 -7.750 0.823 1.00 0.00 C ATOM 389 CD ARG A 28 -4.291 -6.892 0.470 1.00 0.00 C ATOM 390 NE ARG A 28 -4.769 -5.553 0.042 1.00 0.00 N ATOM 391 CZ ARG A 28 -4.042 -4.641 -0.590 1.00 0.00 C ATOM 392 NH1 ARG A 28 -2.796 -4.801 -0.927 1.00 0.00 N ATOM 393 NH2 ARG A 28 -4.612 -3.527 -0.886 1.00 0.00 N ATOM 0 H ARG A 28 -4.388 -10.649 2.826 1.00 0.00 H new ATOM 0 HA ARG A 28 -6.850 -9.390 2.332 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.164 -9.335 1.410 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.113 -9.703 -0.016 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.270 -7.635 0.047 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.952 -7.387 1.752 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.629 -6.801 1.331 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.715 -7.362 -0.327 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.738 -5.314 0.252 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.316 -5.673 -0.706 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.299 -4.054 -1.412 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.588 -3.371 -0.635 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.088 -2.799 -1.372 1.00 0.00 H new ATOM 407 N LEU A 29 -6.348 -12.097 0.569 1.00 0.00 N ATOM 408 CA LEU A 29 -6.982 -13.048 -0.339 1.00 0.00 C ATOM 409 C LEU A 29 -7.901 -13.984 0.410 1.00 0.00 C ATOM 410 O LEU A 29 -8.948 -14.407 -0.088 1.00 0.00 O ATOM 411 CB LEU A 29 -5.907 -13.845 -1.132 1.00 0.00 C ATOM 412 CG LEU A 29 -4.661 -13.075 -1.648 1.00 0.00 C ATOM 413 CD1 LEU A 29 -4.216 -13.639 -3.005 1.00 0.00 C ATOM 414 CD2 LEU A 29 -4.905 -11.562 -1.771 1.00 0.00 C ATOM 0 H LEU A 29 -5.393 -12.341 0.829 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.587 -12.486 -1.050 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.557 -14.658 -0.496 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.397 -14.302 -1.992 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.874 -13.217 -0.907 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.342 -13.092 -3.357 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.964 -14.694 -2.896 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.026 -13.532 -3.727 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.000 -11.076 -2.136 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.721 -11.381 -2.470 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.167 -11.155 -0.794 1.00 0.00 H new ATOM 426 N ALA A 30 -7.507 -14.328 1.622 1.00 0.00 N ATOM 427 CA ALA A 30 -8.300 -15.204 2.480 1.00 0.00 C ATOM 428 C ALA A 30 -9.730 -14.727 2.571 1.00 0.00 C ATOM 429 O ALA A 30 -10.685 -15.496 2.432 1.00 0.00 O ATOM 430 CB ALA A 30 -7.606 -15.267 3.853 1.00 0.00 C ATOM 0 H ALA A 30 -6.633 -14.012 2.043 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.354 -16.209 2.061 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -8.175 -15.915 4.519 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.598 -15.665 3.733 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.553 -14.266 4.280 1.00 0.00 H new ATOM 436 N ASN A 31 -9.899 -13.437 2.797 1.00 0.00 N ATOM 437 CA ASN A 31 -11.226 -12.855 2.980 1.00 0.00 C ATOM 438 C ASN A 31 -12.080 -13.061 1.752 1.00 0.00 C ATOM 439 O ASN A 31 -13.232 -13.497 1.822 1.00 0.00 O ATOM 440 CB ASN A 31 -11.091 -11.339 3.308 1.00 0.00 C ATOM 441 CG ASN A 31 -12.270 -10.438 2.926 1.00 0.00 C ATOM 442 OD1 ASN A 31 -13.431 -10.762 3.126 1.00 0.00 O ATOM 443 ND2 ASN A 31 -12.024 -9.284 2.367 1.00 0.00 N ATOM 0 H ASN A 31 -9.133 -12.766 2.859 1.00 0.00 H new ATOM 0 HA ASN A 31 -11.718 -13.357 3.813 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -10.921 -11.238 4.380 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.200 -10.962 2.807 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -12.795 -8.670 2.105 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -11.061 -8.997 2.192 1.00 0.00 H new ATOM 450 N GLY A 32 -11.520 -12.747 0.598 1.00 0.00 N ATOM 451 CA GLY A 32 -12.206 -12.948 -0.675 1.00 0.00 C ATOM 452 C GLY A 32 -11.384 -13.812 -1.602 1.00 0.00 C ATOM 453 O GLY A 32 -11.570 -15.028 -1.699 1.00 0.00 O ATOM 0 H GLY A 32 -10.585 -12.349 0.511 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.175 -13.415 -0.500 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -12.398 -11.984 -1.145 1.00 0.00 H new ATOM 457 N GLY A 33 -10.460 -13.187 -2.307 1.00 0.00 N ATOM 458 CA GLY A 33 -9.609 -13.889 -3.263 1.00 0.00 C ATOM 459 C GLY A 33 -9.303 -13.018 -4.458 1.00 0.00 C ATOM 460 O GLY A 33 -10.032 -12.078 -4.785 1.00 0.00 O ATOM 0 H GLY A 33 -10.275 -12.186 -2.238 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.679 -14.186 -2.778 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.103 -14.803 -3.592 1.00 0.00 H new ATOM 464 N ASN A 34 -8.206 -13.318 -5.127 1.00 0.00 N ATOM 465 CA ASN A 34 -7.745 -12.516 -6.257 1.00 0.00 C ATOM 466 C ASN A 34 -7.098 -13.384 -7.309 1.00 0.00 C ATOM 467 O ASN A 34 -7.715 -13.776 -8.303 1.00 0.00 O ATOM 468 CB ASN A 34 -6.751 -11.430 -5.751 1.00 0.00 C ATOM 469 CG ASN A 34 -6.721 -10.104 -6.518 1.00 0.00 C ATOM 470 OD1 ASN A 34 -6.955 -10.038 -7.716 1.00 0.00 O ATOM 471 ND2 ASN A 34 -6.450 -9.005 -5.866 1.00 0.00 N ATOM 0 H ASN A 34 -7.610 -14.117 -4.909 1.00 0.00 H new ATOM 0 HA ASN A 34 -8.604 -12.028 -6.717 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -6.987 -11.214 -4.709 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -5.747 -11.855 -5.769 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -6.436 -8.111 -6.357 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -6.252 -9.041 -4.866 1.00 0.00 H new ATOM 478 N GLY A 35 -5.831 -13.694 -7.106 1.00 0.00 N ATOM 479 CA GLY A 35 -5.059 -14.466 -8.076 1.00 0.00 C ATOM 480 C GLY A 35 -3.988 -15.281 -7.389 1.00 0.00 C ATOM 481 O GLY A 35 -2.788 -15.113 -7.622 1.00 0.00 O ATOM 0 H GLY A 35 -5.307 -13.423 -6.274 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.724 -15.127 -8.632 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.600 -13.793 -8.800 1.00 0.00 H new ATOM 485 N PHE A 36 -4.413 -16.175 -6.516 1.00 0.00 N ATOM 486 CA PHE A 36 -3.498 -17.084 -5.832 1.00 0.00 C ATOM 487 C PHE A 36 -3.569 -18.471 -6.424 1.00 0.00 C ATOM 488 O PHE A 36 -2.572 -19.191 -6.525 1.00 0.00 O ATOM 489 CB PHE A 36 -3.858 -17.165 -4.317 1.00 0.00 C ATOM 490 CG PHE A 36 -2.684 -17.078 -3.329 1.00 0.00 C ATOM 491 CD1 PHE A 36 -1.751 -18.114 -3.234 1.00 0.00 C ATOM 492 CD2 PHE A 36 -2.571 -15.968 -2.485 1.00 0.00 C ATOM 493 CE1 PHE A 36 -0.721 -18.042 -2.300 1.00 0.00 C ATOM 494 CE2 PHE A 36 -1.542 -15.898 -1.552 1.00 0.00 C ATOM 495 CZ PHE A 36 -0.617 -16.936 -1.458 1.00 0.00 C ATOM 0 H PHE A 36 -5.393 -16.295 -6.259 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.487 -16.695 -5.956 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.557 -16.360 -4.089 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.384 -18.103 -4.141 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.829 -18.972 -3.886 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.286 -15.162 -2.558 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.002 -18.844 -2.228 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.460 -15.040 -0.901 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.181 -16.884 -0.732 1.00 0.00 H new ATOM 505 N TRP A 37 -4.764 -18.873 -6.815 1.00 0.00 N ATOM 506 CA TRP A 37 -4.984 -20.183 -7.421 1.00 0.00 C ATOM 507 C TRP A 37 -5.303 -20.056 -8.892 1.00 0.00 C ATOM 508 O TRP A 37 -5.859 -18.910 -9.423 1.00 0.00 O ATOM 509 CB TRP A 37 -6.156 -20.893 -6.689 1.00 0.00 C ATOM 510 CG TRP A 37 -7.239 -19.953 -6.151 1.00 0.00 C ATOM 511 CD1 TRP A 37 -8.442 -19.621 -6.808 1.00 0.00 C ATOM 512 CD2 TRP A 37 -7.231 -19.220 -4.982 1.00 0.00 C ATOM 513 NE1 TRP A 37 -9.198 -18.691 -6.067 1.00 0.00 N ATOM 514 CE2 TRP A 37 -8.425 -18.458 -4.940 1.00 0.00 C ATOM 515 CE3 TRP A 37 -6.294 -19.153 -3.920 1.00 0.00 C ATOM 516 CZ2 TRP A 37 -8.680 -17.606 -3.843 1.00 0.00 C ATOM 517 CZ3 TRP A 37 -6.549 -18.276 -2.866 1.00 0.00 C ATOM 518 CH2 TRP A 37 -7.725 -17.513 -2.827 1.00 0.00 C ATOM 519 OXT TRP A 37 -5.040 -21.035 -9.588 1.00 0.00 O ATOM 0 H TRP A 37 -5.608 -18.308 -6.724 1.00 0.00 H new ATOM 0 HA TRP A 37 -4.071 -20.770 -7.323 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -6.618 -21.602 -7.375 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -5.751 -21.471 -5.858 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -8.746 -20.029 -7.761 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -10.103 -18.284 -6.304 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.405 -19.766 -3.927 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -9.596 -17.037 -3.790 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -5.829 -18.183 -2.067 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -7.895 -16.842 -1.998 1.00 0.00 H new TER 531 TRP A 37