USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 835 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc= 2.4 (180deg=2.28) USER MOD Single : A 7 ASN : amide:sc= 0.144 K(o=0.14,f=-4.7!) USER MOD Single : A 10 THR OG1 : rot -160:sc= 0.589 USER MOD Single : A 12 LYS NZ :NH3+ -150:sc= 0.531 (180deg=0.438) USER MOD Single : A 13 ASN : amide:sc= 0.718 K(o=0.72,f=-1.5e-05) USER MOD Single : A 18 SER OG : rot -33:sc= 0.786 USER MOD Single : A 19 SER OG : rot 180:sc= 0.124 USER MOD Single : A 48 TYR OH : rot -174:sc= 1.25 USER MOD Single : A 49 LYS NZ :NH3+ -141:sc= 1.18 (180deg=0.193) USER MOD Single : A 51 LYS NZ :NH3+ -176:sc= 0.761 (180deg=0.701) USER MOD Single : A 53 LYS NZ :NH3+ 139:sc= 0 (180deg=-0.524) USER MOD Single : A 54 CYS SG : rot -164:sc= -0.399 USER MOD Single : A 56 LYS NZ :NH3+ -168:sc= 1.15 (180deg=0.806) USER MOD Single : A 58 ASN : amide:sc= 0.437 K(o=0.44,f=-9.8!) USER MOD Single : A 59 THR OG1 : rot 74:sc= 0.0594 USER MOD Single : A 62 SER OG : rot -54:sc= 0.341 USER MOD Single : A 64 ASN : amide:sc= 0.643 K(o=0.64,f=-5!) USER MOD Single : A 67 SER OG : rot 71:sc= 1.15 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0.214 USER MOD Single : A 76 THR OG1 : rot 21:sc= 0.969 USER MOD Single : A 78 MET CE :methyl 176:sc= -0.202 (180deg=-0.257) USER MOD Single : A 81 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.026) USER MOD Single : A 84 LYS NZ :NH3+ 160:sc= -0.137 (180deg=-0.746) USER MOD Single : A 85 LYS NZ :NH3+ 167:sc= -0.0205 (180deg=-0.211) USER MOD Single : A 86 CYS SG : rot -117:sc= 0.00125 USER MOD Single : A 88 THR OG1 : rot 34:sc= 0.966 USER MOD Single : A 95 LYS NZ :NH3+ 171:sc= 0.529 (180deg=0.273) USER MOD Single : A 97 THR OG1 : rot 86:sc= 0.938 USER MOD Single : A 100 GLN : amide:sc= 0.574 K(o=0.57,f=-0.009) USER MOD Single : A 101 THR OG1 : rot 78:sc= 1.2 USER MOD Single : A 104 LYS NZ :NH3+ -162:sc= -0.0227 (180deg=-0.252) USER MOD Single : A 105 TYR OH : rot -155:sc= 0.985 USER MOD Single : A 107 ASN : amide:sc= 0.888 K(o=0.89,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.699 -3.239 -11.368 1.00 0.00 N ATOM 2 CA MET A 1 -1.671 -3.128 -12.470 1.00 0.00 C ATOM 3 C MET A 1 -2.976 -2.671 -11.840 1.00 0.00 C ATOM 4 O MET A 1 -3.421 -3.335 -10.913 1.00 0.00 O ATOM 5 CB MET A 1 -1.817 -4.473 -13.200 1.00 0.00 C ATOM 6 CG MET A 1 -2.959 -4.467 -14.226 1.00 0.00 C ATOM 7 SD MET A 1 -3.040 -3.017 -15.308 1.00 0.00 S ATOM 8 CE MET A 1 -1.537 -3.252 -16.283 1.00 0.00 C ATOM 0 H1 MET A 1 0.263 -3.299 -11.758 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.772 -2.402 -10.755 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.901 -4.094 -10.812 1.00 0.00 H new ATOM 0 HA MET A 1 -1.347 -2.413 -13.227 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.881 -4.711 -13.705 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.995 -5.262 -12.469 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.867 -5.357 -14.849 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.904 -4.550 -13.690 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.438 -2.438 -17.001 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.671 -3.258 -15.621 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.594 -4.201 -16.816 1.00 0.00 H new ATOM 20 N GLU A 2 -3.532 -1.532 -12.267 1.00 0.00 N ATOM 21 CA GLU A 2 -4.613 -0.823 -11.579 1.00 0.00 C ATOM 22 C GLU A 2 -3.965 -0.218 -10.330 1.00 0.00 C ATOM 23 O GLU A 2 -3.859 0.998 -10.205 1.00 0.00 O ATOM 24 CB GLU A 2 -5.848 -1.697 -11.295 1.00 0.00 C ATOM 25 CG GLU A 2 -6.435 -2.283 -12.585 1.00 0.00 C ATOM 26 CD GLU A 2 -7.701 -3.084 -12.298 1.00 0.00 C ATOM 27 OE1 GLU A 2 -7.572 -4.126 -11.620 1.00 0.00 O ATOM 28 OE2 GLU A 2 -8.775 -2.637 -12.757 1.00 0.00 O ATOM 0 H GLU A 2 -3.233 -1.066 -13.124 1.00 0.00 H new ATOM 0 HA GLU A 2 -5.040 -0.042 -12.209 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -5.573 -2.507 -10.619 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.607 -1.101 -10.787 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.661 -1.478 -13.284 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.696 -2.924 -13.066 1.00 0.00 H new ATOM 35 N ALA A 3 -3.468 -1.078 -9.442 1.00 0.00 N ATOM 36 CA ALA A 3 -2.604 -0.680 -8.351 1.00 0.00 C ATOM 37 C ALA A 3 -1.311 -0.171 -8.989 1.00 0.00 C ATOM 38 O ALA A 3 -0.749 -0.863 -9.850 1.00 0.00 O ATOM 39 CB ALA A 3 -2.289 -1.880 -7.459 1.00 0.00 C ATOM 0 H ALA A 3 -3.661 -2.079 -9.467 1.00 0.00 H new ATOM 0 HA ALA A 3 -3.081 0.083 -7.735 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.638 -1.566 -6.643 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.216 -2.283 -7.050 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.788 -2.649 -8.047 1.00 0.00 H new ATOM 45 N GLY A 4 -0.862 1.025 -8.604 1.00 0.00 N ATOM 46 CA GLY A 4 0.362 1.606 -9.137 1.00 0.00 C ATOM 47 C GLY A 4 1.599 0.987 -8.482 1.00 0.00 C ATOM 48 O GLY A 4 1.487 0.190 -7.551 1.00 0.00 O ATOM 0 H GLY A 4 -1.337 1.612 -7.918 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.402 1.451 -10.215 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.359 2.683 -8.970 1.00 0.00 H new ATOM 52 N ALA A 5 2.786 1.371 -8.954 1.00 0.00 N ATOM 53 CA ALA A 5 4.068 0.942 -8.413 1.00 0.00 C ATOM 54 C ALA A 5 4.827 2.207 -8.024 1.00 0.00 C ATOM 55 O ALA A 5 4.791 3.170 -8.790 1.00 0.00 O ATOM 56 CB ALA A 5 4.837 0.138 -9.464 1.00 0.00 C ATOM 0 H ALA A 5 2.880 2.007 -9.746 1.00 0.00 H new ATOM 0 HA ALA A 5 3.939 0.295 -7.545 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.795 -0.179 -9.051 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.256 -0.740 -9.748 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.009 0.759 -10.343 1.00 0.00 H new ATOM 62 N VAL A 6 5.474 2.239 -6.853 1.00 0.00 N ATOM 63 CA VAL A 6 6.195 3.427 -6.402 1.00 0.00 C ATOM 64 C VAL A 6 7.556 3.096 -5.788 1.00 0.00 C ATOM 65 O VAL A 6 7.863 1.952 -5.440 1.00 0.00 O ATOM 66 CB VAL A 6 5.348 4.247 -5.400 1.00 0.00 C ATOM 67 CG1 VAL A 6 4.275 5.076 -6.099 1.00 0.00 C ATOM 68 CG2 VAL A 6 4.692 3.399 -4.308 1.00 0.00 C ATOM 0 H VAL A 6 5.511 1.454 -6.203 1.00 0.00 H new ATOM 0 HA VAL A 6 6.377 4.028 -7.293 1.00 0.00 H new ATOM 0 HB VAL A 6 6.066 4.911 -4.918 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.705 5.635 -5.356 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.747 5.772 -6.793 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.605 4.415 -6.648 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.115 4.043 -3.644 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.030 2.665 -4.766 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.463 2.884 -3.735 1.00 0.00 H new ATOM 78 N ASN A 7 8.360 4.155 -5.676 1.00 0.00 N ATOM 79 CA ASN A 7 9.661 4.228 -5.030 1.00 0.00 C ATOM 80 C ASN A 7 9.684 5.608 -4.375 1.00 0.00 C ATOM 81 O ASN A 7 8.808 6.419 -4.653 1.00 0.00 O ATOM 82 CB ASN A 7 10.801 4.058 -6.057 1.00 0.00 C ATOM 83 CG ASN A 7 12.059 4.884 -5.775 1.00 0.00 C ATOM 84 OD1 ASN A 7 12.076 6.076 -6.069 1.00 0.00 O ATOM 85 ND2 ASN A 7 13.092 4.320 -5.157 1.00 0.00 N ATOM 0 H ASN A 7 8.090 5.056 -6.070 1.00 0.00 H new ATOM 0 HA ASN A 7 9.812 3.432 -4.301 1.00 0.00 H new ATOM 0 HB2 ASN A 7 11.078 3.005 -6.097 1.00 0.00 H new ATOM 0 HB3 ASN A 7 10.423 4.326 -7.044 1.00 0.00 H new ATOM 0 HD21 ASN A 7 13.912 4.879 -4.921 1.00 0.00 H new ATOM 0 HD22 ASN A 7 13.064 3.329 -4.919 1.00 0.00 H new ATOM 92 N ASP A 8 10.682 5.875 -3.542 1.00 0.00 N ATOM 93 CA ASP A 8 10.869 7.111 -2.784 1.00 0.00 C ATOM 94 C ASP A 8 10.498 8.356 -3.585 1.00 0.00 C ATOM 95 O ASP A 8 9.779 9.225 -3.097 1.00 0.00 O ATOM 96 CB ASP A 8 12.320 7.197 -2.287 1.00 0.00 C ATOM 97 CG ASP A 8 13.394 7.480 -3.334 1.00 0.00 C ATOM 98 OD1 ASP A 8 13.608 8.678 -3.617 1.00 0.00 O ATOM 99 OD2 ASP A 8 14.009 6.496 -3.801 1.00 0.00 O ATOM 0 H ASP A 8 11.425 5.199 -3.366 1.00 0.00 H new ATOM 0 HA ASP A 8 10.190 7.080 -1.932 1.00 0.00 H new ATOM 0 HB2 ASP A 8 12.373 7.977 -1.528 1.00 0.00 H new ATOM 0 HB3 ASP A 8 12.566 6.256 -1.795 1.00 0.00 H new ATOM 104 N ASP A 9 10.982 8.410 -4.819 1.00 0.00 N ATOM 105 CA ASP A 9 10.736 9.501 -5.750 1.00 0.00 C ATOM 106 C ASP A 9 9.239 9.750 -5.948 1.00 0.00 C ATOM 107 O ASP A 9 8.714 10.799 -5.583 1.00 0.00 O ATOM 108 CB ASP A 9 11.382 9.161 -7.096 1.00 0.00 C ATOM 109 CG ASP A 9 11.120 10.263 -8.115 1.00 0.00 C ATOM 110 OD1 ASP A 9 11.761 11.327 -7.978 1.00 0.00 O ATOM 111 OD2 ASP A 9 10.275 10.025 -9.004 1.00 0.00 O ATOM 0 H ASP A 9 11.572 7.676 -5.210 1.00 0.00 H new ATOM 0 HA ASP A 9 11.171 10.410 -5.336 1.00 0.00 H new ATOM 0 HB2 ASP A 9 12.456 9.028 -6.966 1.00 0.00 H new ATOM 0 HB3 ASP A 9 10.986 8.215 -7.466 1.00 0.00 H new ATOM 116 N THR A 10 8.560 8.776 -6.549 1.00 0.00 N ATOM 117 CA THR A 10 7.151 8.848 -6.910 1.00 0.00 C ATOM 118 C THR A 10 6.252 8.890 -5.671 1.00 0.00 C ATOM 119 O THR A 10 5.287 9.657 -5.617 1.00 0.00 O ATOM 120 CB THR A 10 6.846 7.647 -7.815 1.00 0.00 C ATOM 121 OG1 THR A 10 7.400 6.459 -7.275 1.00 0.00 O ATOM 122 CG2 THR A 10 7.467 7.862 -9.199 1.00 0.00 C ATOM 0 H THR A 10 8.991 7.888 -6.805 1.00 0.00 H new ATOM 0 HA THR A 10 6.942 9.773 -7.447 1.00 0.00 H new ATOM 0 HB THR A 10 5.762 7.554 -7.888 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.481 5.785 -7.982 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.245 7.005 -9.834 1.00 0.00 H new ATOM 0 HG22 THR A 10 7.051 8.764 -9.648 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.547 7.971 -9.100 1.00 0.00 H new ATOM 130 N PHE A 11 6.600 8.070 -4.677 1.00 0.00 N ATOM 131 CA PHE A 11 5.942 7.910 -3.387 1.00 0.00 C ATOM 132 C PHE A 11 5.483 9.251 -2.840 1.00 0.00 C ATOM 133 O PHE A 11 4.356 9.405 -2.393 1.00 0.00 O ATOM 134 CB PHE A 11 6.942 7.289 -2.412 1.00 0.00 C ATOM 135 CG PHE A 11 6.438 7.074 -1.002 1.00 0.00 C ATOM 136 CD1 PHE A 11 5.683 5.930 -0.697 1.00 0.00 C ATOM 137 CD2 PHE A 11 6.771 7.985 0.017 1.00 0.00 C ATOM 138 CE1 PHE A 11 5.269 5.687 0.622 1.00 0.00 C ATOM 139 CE2 PHE A 11 6.342 7.751 1.334 1.00 0.00 C ATOM 140 CZ PHE A 11 5.579 6.609 1.635 1.00 0.00 C ATOM 0 H PHE A 11 7.410 7.457 -4.764 1.00 0.00 H new ATOM 0 HA PHE A 11 5.067 7.272 -3.509 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.264 6.328 -2.813 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.824 7.928 -2.369 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.420 5.234 -1.480 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.356 8.863 -0.213 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.713 4.792 0.858 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.599 8.449 2.117 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.232 6.441 2.644 1.00 0.00 H new ATOM 150 N LYS A 12 6.379 10.226 -2.871 1.00 0.00 N ATOM 151 CA LYS A 12 6.086 11.585 -2.441 1.00 0.00 C ATOM 152 C LYS A 12 4.707 12.052 -2.915 1.00 0.00 C ATOM 153 O LYS A 12 3.798 12.258 -2.117 1.00 0.00 O ATOM 154 CB LYS A 12 7.162 12.520 -2.990 1.00 0.00 C ATOM 155 CG LYS A 12 8.443 12.337 -2.171 1.00 0.00 C ATOM 156 CD LYS A 12 9.580 13.206 -2.715 1.00 0.00 C ATOM 157 CE LYS A 12 10.894 12.840 -2.016 1.00 0.00 C ATOM 158 NZ LYS A 12 11.429 11.553 -2.502 1.00 0.00 N ATOM 0 H LYS A 12 7.336 10.096 -3.198 1.00 0.00 H new ATOM 0 HA LYS A 12 6.080 11.604 -1.351 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.352 12.301 -4.041 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.825 13.555 -2.936 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.251 12.595 -1.130 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.742 11.289 -2.190 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.677 13.062 -3.791 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.353 14.260 -2.554 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.629 13.627 -2.186 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.731 12.783 -0.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.965 11.090 -1.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.643 10.939 -2.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.057 11.722 -3.313 1.00 0.00 H new ATOM 172 N ASN A 13 4.531 12.209 -4.221 1.00 0.00 N ATOM 173 CA ASN A 13 3.278 12.703 -4.774 1.00 0.00 C ATOM 174 C ASN A 13 2.178 11.657 -4.675 1.00 0.00 C ATOM 175 O ASN A 13 1.031 11.951 -4.337 1.00 0.00 O ATOM 176 CB ASN A 13 3.504 13.087 -6.246 1.00 0.00 C ATOM 177 CG ASN A 13 3.320 14.583 -6.492 1.00 0.00 C ATOM 178 OD1 ASN A 13 2.673 14.982 -7.453 1.00 0.00 O ATOM 179 ND2 ASN A 13 3.901 15.430 -5.645 1.00 0.00 N ATOM 0 H ASN A 13 5.244 12.000 -4.919 1.00 0.00 H new ATOM 0 HA ASN A 13 2.959 13.573 -4.200 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.510 12.793 -6.545 1.00 0.00 H new ATOM 0 HB3 ASN A 13 2.809 12.530 -6.875 1.00 0.00 H new ATOM 0 HD21 ASN A 13 3.813 16.436 -5.789 1.00 0.00 H new ATOM 0 HD22 ASN A 13 4.434 15.073 -4.852 1.00 0.00 H new ATOM 186 N VAL A 14 2.552 10.423 -4.995 1.00 0.00 N ATOM 187 CA VAL A 14 1.609 9.325 -5.132 1.00 0.00 C ATOM 188 C VAL A 14 1.068 8.823 -3.785 1.00 0.00 C ATOM 189 O VAL A 14 0.042 8.145 -3.768 1.00 0.00 O ATOM 190 CB VAL A 14 2.300 8.220 -5.952 1.00 0.00 C ATOM 191 CG1 VAL A 14 1.398 6.997 -6.113 1.00 0.00 C ATOM 192 CG2 VAL A 14 2.648 8.729 -7.360 1.00 0.00 C ATOM 0 H VAL A 14 3.522 10.158 -5.167 1.00 0.00 H new ATOM 0 HA VAL A 14 0.718 9.671 -5.656 1.00 0.00 H new ATOM 0 HB VAL A 14 3.204 7.944 -5.408 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.917 6.237 -6.697 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.152 6.595 -5.130 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.481 7.286 -6.627 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.136 7.934 -7.924 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.735 9.031 -7.874 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.320 9.583 -7.282 1.00 0.00 H new ATOM 202 N VAL A 15 1.744 9.134 -2.676 1.00 0.00 N ATOM 203 CA VAL A 15 1.390 8.671 -1.341 1.00 0.00 C ATOM 204 C VAL A 15 1.311 9.814 -0.335 1.00 0.00 C ATOM 205 O VAL A 15 0.332 9.906 0.406 1.00 0.00 O ATOM 206 CB VAL A 15 2.389 7.595 -0.877 1.00 0.00 C ATOM 207 CG1 VAL A 15 1.928 6.971 0.442 1.00 0.00 C ATOM 208 CG2 VAL A 15 2.564 6.508 -1.944 1.00 0.00 C ATOM 0 H VAL A 15 2.572 9.729 -2.687 1.00 0.00 H new ATOM 0 HA VAL A 15 0.393 8.233 -1.394 1.00 0.00 H new ATOM 0 HB VAL A 15 3.354 8.077 -0.721 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.645 6.213 0.756 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.860 7.745 1.207 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.950 6.510 0.304 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.275 5.761 -1.590 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.603 6.031 -2.138 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.938 6.958 -2.864 1.00 0.00 H new ATOM 218 N LEU A 16 2.348 10.654 -0.256 1.00 0.00 N ATOM 219 CA LEU A 16 2.350 11.725 0.730 1.00 0.00 C ATOM 220 C LEU A 16 1.436 12.864 0.272 1.00 0.00 C ATOM 221 O LEU A 16 0.349 13.023 0.821 1.00 0.00 O ATOM 222 CB LEU A 16 3.774 12.204 1.051 1.00 0.00 C ATOM 223 CG LEU A 16 4.714 11.078 1.512 1.00 0.00 C ATOM 224 CD1 LEU A 16 6.092 11.682 1.803 1.00 0.00 C ATOM 225 CD2 LEU A 16 4.182 10.370 2.766 1.00 0.00 C ATOM 0 H LEU A 16 3.176 10.612 -0.850 1.00 0.00 H new ATOM 0 HA LEU A 16 1.950 11.335 1.666 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.197 12.679 0.166 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.725 12.966 1.829 1.00 0.00 H new ATOM 0 HG LEU A 16 4.780 10.332 0.720 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.772 10.896 2.132 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.484 12.146 0.898 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.001 12.434 2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.874 9.581 3.060 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.087 11.091 3.578 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.206 9.935 2.552 1.00 0.00 H new ATOM 237 N GLU A 17 1.806 13.633 -0.758 1.00 0.00 N ATOM 238 CA GLU A 17 1.040 14.811 -1.173 1.00 0.00 C ATOM 239 C GLU A 17 -0.199 14.436 -2.005 1.00 0.00 C ATOM 240 O GLU A 17 -0.523 15.110 -2.980 1.00 0.00 O ATOM 241 CB GLU A 17 1.938 15.772 -1.973 1.00 0.00 C ATOM 242 CG GLU A 17 3.264 16.141 -1.282 1.00 0.00 C ATOM 243 CD GLU A 17 4.451 15.292 -1.739 1.00 0.00 C ATOM 244 OE1 GLU A 17 4.650 15.196 -2.971 1.00 0.00 O ATOM 245 OE2 GLU A 17 5.157 14.772 -0.850 1.00 0.00 O ATOM 0 H GLU A 17 2.637 13.458 -1.322 1.00 0.00 H new ATOM 0 HA GLU A 17 0.689 15.305 -0.267 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.161 15.319 -2.939 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.381 16.687 -2.172 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.484 17.191 -1.474 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.144 16.033 -0.204 1.00 0.00 H new ATOM 252 N SER A 18 -0.896 13.368 -1.622 1.00 0.00 N ATOM 253 CA SER A 18 -2.083 12.872 -2.292 1.00 0.00 C ATOM 254 C SER A 18 -3.345 13.499 -1.690 1.00 0.00 C ATOM 255 O SER A 18 -3.471 13.605 -0.467 1.00 0.00 O ATOM 256 CB SER A 18 -2.083 11.350 -2.170 1.00 0.00 C ATOM 257 OG SER A 18 -0.791 10.869 -2.501 1.00 0.00 O ATOM 0 H SER A 18 -0.636 12.810 -0.809 1.00 0.00 H new ATOM 0 HA SER A 18 -2.077 13.149 -3.346 1.00 0.00 H new ATOM 0 HB2 SER A 18 -2.349 11.052 -1.156 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.830 10.917 -2.836 1.00 0.00 H new ATOM 0 HG SER A 18 -0.394 11.444 -3.189 1.00 0.00 H new ATOM 263 N SER A 19 -4.288 13.883 -2.555 1.00 0.00 N ATOM 264 CA SER A 19 -5.556 14.499 -2.200 1.00 0.00 C ATOM 265 C SER A 19 -6.513 13.408 -1.724 1.00 0.00 C ATOM 266 O SER A 19 -7.025 13.459 -0.608 1.00 0.00 O ATOM 267 CB SER A 19 -6.089 15.188 -3.459 1.00 0.00 C ATOM 268 OG SER A 19 -5.857 14.336 -4.574 1.00 0.00 O ATOM 0 H SER A 19 -4.178 13.765 -3.562 1.00 0.00 H new ATOM 0 HA SER A 19 -5.447 15.230 -1.398 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.154 15.394 -3.355 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.591 16.147 -3.605 1.00 0.00 H new ATOM 0 HG SER A 19 -6.195 14.764 -5.388 1.00 0.00 H new ATOM 274 N VAL A 20 -6.719 12.401 -2.573 1.00 0.00 N ATOM 275 CA VAL A 20 -7.506 11.229 -2.215 1.00 0.00 C ATOM 276 C VAL A 20 -6.608 10.347 -1.348 1.00 0.00 C ATOM 277 O VAL A 20 -5.380 10.467 -1.419 1.00 0.00 O ATOM 278 CB VAL A 20 -7.954 10.442 -3.464 1.00 0.00 C ATOM 279 CG1 VAL A 20 -9.162 11.096 -4.135 1.00 0.00 C ATOM 280 CG2 VAL A 20 -6.834 10.221 -4.492 1.00 0.00 C ATOM 0 H VAL A 20 -6.346 12.378 -3.522 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.410 11.534 -1.688 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.238 9.457 -3.094 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.450 10.515 -5.011 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.994 11.130 -3.432 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.904 12.110 -4.441 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.225 9.661 -5.341 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.459 11.185 -4.835 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.022 9.660 -4.030 1.00 0.00 H new ATOM 290 N PRO A 21 -7.186 9.479 -0.504 1.00 0.00 N ATOM 291 CA PRO A 21 -6.379 8.592 0.302 1.00 0.00 C ATOM 292 C PRO A 21 -5.667 7.603 -0.615 1.00 0.00 C ATOM 293 O PRO A 21 -5.991 7.472 -1.794 1.00 0.00 O ATOM 294 CB PRO A 21 -7.337 7.916 1.282 1.00 0.00 C ATOM 295 CG PRO A 21 -8.661 7.934 0.522 1.00 0.00 C ATOM 296 CD PRO A 21 -8.603 9.235 -0.283 1.00 0.00 C ATOM 0 HA PRO A 21 -5.600 9.109 0.863 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.021 6.901 1.522 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.403 8.460 2.224 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.760 7.065 -0.129 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -9.513 7.922 1.202 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.139 9.139 -1.227 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.065 10.058 0.263 1.00 0.00 H new ATOM 304 N VAL A 22 -4.693 6.902 -0.052 1.00 0.00 N ATOM 305 CA VAL A 22 -3.783 5.999 -0.721 1.00 0.00 C ATOM 306 C VAL A 22 -3.625 4.735 0.116 1.00 0.00 C ATOM 307 O VAL A 22 -3.606 4.833 1.340 1.00 0.00 O ATOM 308 CB VAL A 22 -2.427 6.712 -0.845 1.00 0.00 C ATOM 309 CG1 VAL A 22 -1.401 5.858 -1.597 1.00 0.00 C ATOM 310 CG2 VAL A 22 -2.603 8.090 -1.500 1.00 0.00 C ATOM 0 H VAL A 22 -4.510 6.957 0.950 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.160 5.725 -1.706 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.034 6.861 0.161 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.456 6.398 -1.663 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.246 4.921 -1.063 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.769 5.647 -2.601 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.633 8.581 -1.580 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.031 7.968 -2.495 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.270 8.700 -0.890 1.00 0.00 H new ATOM 320 N LEU A 23 -3.477 3.579 -0.539 1.00 0.00 N ATOM 321 CA LEU A 23 -3.238 2.270 0.060 1.00 0.00 C ATOM 322 C LEU A 23 -1.969 1.726 -0.582 1.00 0.00 C ATOM 323 O LEU A 23 -2.043 1.218 -1.693 1.00 0.00 O ATOM 324 CB LEU A 23 -4.442 1.360 -0.229 1.00 0.00 C ATOM 325 CG LEU A 23 -4.401 0.008 0.509 1.00 0.00 C ATOM 326 CD1 LEU A 23 -5.825 -0.438 0.855 1.00 0.00 C ATOM 327 CD2 LEU A 23 -3.745 -1.091 -0.339 1.00 0.00 C ATOM 0 H LEU A 23 -3.524 3.533 -1.557 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.117 2.326 1.142 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.356 1.886 0.049 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.494 1.175 -1.302 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.808 0.153 1.412 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.790 -1.394 1.377 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.294 0.308 1.496 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.405 -0.546 -0.061 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.738 -2.026 0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.310 -1.224 -1.262 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.721 -0.803 -0.579 1.00 0.00 H new ATOM 339 N VAL A 24 -0.810 1.847 0.065 1.00 0.00 N ATOM 340 CA VAL A 24 0.459 1.422 -0.518 1.00 0.00 C ATOM 341 C VAL A 24 0.968 0.156 0.180 1.00 0.00 C ATOM 342 O VAL A 24 1.196 0.154 1.392 1.00 0.00 O ATOM 343 CB VAL A 24 1.464 2.589 -0.490 1.00 0.00 C ATOM 344 CG1 VAL A 24 1.473 3.329 0.845 1.00 0.00 C ATOM 345 CG2 VAL A 24 2.885 2.140 -0.854 1.00 0.00 C ATOM 0 H VAL A 24 -0.726 2.240 1.002 1.00 0.00 H new ATOM 0 HA VAL A 24 0.321 1.155 -1.566 1.00 0.00 H new ATOM 0 HB VAL A 24 1.119 3.286 -1.253 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.200 4.141 0.806 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.482 3.738 1.041 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.744 2.637 1.643 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.557 2.997 -0.821 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.222 1.387 -0.142 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.887 1.717 -1.858 1.00 0.00 H new ATOM 355 N ASP A 25 1.142 -0.924 -0.594 1.00 0.00 N ATOM 356 CA ASP A 25 1.672 -2.191 -0.108 1.00 0.00 C ATOM 357 C ASP A 25 3.188 -2.196 -0.275 1.00 0.00 C ATOM 358 O ASP A 25 3.688 -2.113 -1.393 1.00 0.00 O ATOM 359 CB ASP A 25 1.048 -3.376 -0.853 1.00 0.00 C ATOM 360 CG ASP A 25 1.674 -4.703 -0.413 1.00 0.00 C ATOM 361 OD1 ASP A 25 1.950 -4.838 0.800 1.00 0.00 O ATOM 362 OD2 ASP A 25 1.868 -5.558 -1.304 1.00 0.00 O ATOM 0 H ASP A 25 0.913 -0.935 -1.588 1.00 0.00 H new ATOM 0 HA ASP A 25 1.419 -2.297 0.947 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.026 -3.399 -0.668 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.184 -3.246 -1.927 1.00 0.00 H new ATOM 367 N PHE A 26 3.938 -2.281 0.819 1.00 0.00 N ATOM 368 CA PHE A 26 5.389 -2.354 0.766 1.00 0.00 C ATOM 369 C PHE A 26 5.709 -3.803 0.422 1.00 0.00 C ATOM 370 O PHE A 26 5.476 -4.681 1.251 1.00 0.00 O ATOM 371 CB PHE A 26 5.977 -1.932 2.116 1.00 0.00 C ATOM 372 CG PHE A 26 5.923 -0.438 2.388 1.00 0.00 C ATOM 373 CD1 PHE A 26 4.691 0.237 2.493 1.00 0.00 C ATOM 374 CD2 PHE A 26 7.119 0.281 2.569 1.00 0.00 C ATOM 375 CE1 PHE A 26 4.659 1.603 2.809 1.00 0.00 C ATOM 376 CE2 PHE A 26 7.081 1.639 2.930 1.00 0.00 C ATOM 377 CZ PHE A 26 5.846 2.285 3.108 1.00 0.00 C ATOM 0 H PHE A 26 3.555 -2.301 1.764 1.00 0.00 H new ATOM 0 HA PHE A 26 5.822 -1.683 0.024 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.441 -2.453 2.910 1.00 0.00 H new ATOM 0 HB3 PHE A 26 7.015 -2.260 2.164 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.768 -0.299 2.330 1.00 0.00 H new ATOM 0 HD2 PHE A 26 8.070 -0.212 2.430 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.717 2.131 2.822 1.00 0.00 H new ATOM 0 HE2 PHE A 26 8.002 2.186 3.071 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.812 3.301 3.473 1.00 0.00 H new ATOM 387 N TRP A 27 6.182 -4.053 -0.802 1.00 0.00 N ATOM 388 CA TRP A 27 6.425 -5.398 -1.311 1.00 0.00 C ATOM 389 C TRP A 27 7.841 -5.531 -1.851 1.00 0.00 C ATOM 390 O TRP A 27 8.642 -4.605 -1.794 1.00 0.00 O ATOM 391 CB TRP A 27 5.431 -5.697 -2.445 1.00 0.00 C ATOM 392 CG TRP A 27 5.748 -4.999 -3.731 1.00 0.00 C ATOM 393 CD1 TRP A 27 5.679 -3.669 -3.933 1.00 0.00 C ATOM 394 CD2 TRP A 27 6.355 -5.550 -4.935 1.00 0.00 C ATOM 395 NE1 TRP A 27 6.278 -3.338 -5.131 1.00 0.00 N ATOM 396 CE2 TRP A 27 6.738 -4.467 -5.780 1.00 0.00 C ATOM 397 CE3 TRP A 27 6.667 -6.853 -5.382 1.00 0.00 C ATOM 398 CZ2 TRP A 27 7.437 -4.668 -6.979 1.00 0.00 C ATOM 399 CZ3 TRP A 27 7.308 -7.062 -6.614 1.00 0.00 C ATOM 400 CH2 TRP A 27 7.698 -5.975 -7.411 1.00 0.00 C ATOM 0 H TRP A 27 6.408 -3.317 -1.471 1.00 0.00 H new ATOM 0 HA TRP A 27 6.295 -6.104 -0.491 1.00 0.00 H new ATOM 0 HB2 TRP A 27 5.410 -6.772 -2.622 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.431 -5.408 -2.123 1.00 0.00 H new ATOM 0 HD1 TRP A 27 5.221 -2.964 -3.255 1.00 0.00 H new ATOM 0 HE1 TRP A 27 6.369 -2.387 -5.489 1.00 0.00 H new ATOM 0 HE3 TRP A 27 6.409 -7.702 -4.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 7.771 -3.824 -7.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 7.503 -8.069 -6.951 1.00 0.00 H new ATOM 0 HH2 TRP A 27 8.197 -6.145 -8.353 1.00 0.00 H new ATOM 411 N ALA A 28 8.139 -6.683 -2.439 1.00 0.00 N ATOM 412 CA ALA A 28 9.381 -6.930 -3.151 1.00 0.00 C ATOM 413 C ALA A 28 9.212 -8.244 -3.908 1.00 0.00 C ATOM 414 O ALA A 28 8.493 -9.114 -3.419 1.00 0.00 O ATOM 415 CB ALA A 28 10.567 -7.044 -2.194 1.00 0.00 C ATOM 0 H ALA A 28 7.510 -7.486 -2.433 1.00 0.00 H new ATOM 0 HA ALA A 28 9.587 -6.098 -3.825 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.478 -7.229 -2.764 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.672 -6.116 -1.633 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.398 -7.869 -1.502 1.00 0.00 H new ATOM 421 N PRO A 29 9.852 -8.430 -5.069 1.00 0.00 N ATOM 422 CA PRO A 29 9.753 -9.669 -5.828 1.00 0.00 C ATOM 423 C PRO A 29 10.107 -10.899 -4.988 1.00 0.00 C ATOM 424 O PRO A 29 9.401 -11.903 -5.040 1.00 0.00 O ATOM 425 CB PRO A 29 10.683 -9.488 -7.031 1.00 0.00 C ATOM 426 CG PRO A 29 11.590 -8.314 -6.650 1.00 0.00 C ATOM 427 CD PRO A 29 10.671 -7.463 -5.780 1.00 0.00 C ATOM 0 HA PRO A 29 8.728 -9.856 -6.149 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.263 -10.391 -7.222 1.00 0.00 H new ATOM 0 HB3 PRO A 29 10.119 -9.274 -7.939 1.00 0.00 H new ATOM 0 HG2 PRO A 29 12.475 -8.644 -6.106 1.00 0.00 H new ATOM 0 HG3 PRO A 29 11.940 -7.769 -7.527 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.241 -6.841 -5.090 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.060 -6.792 -6.384 1.00 0.00 H new ATOM 435 N TRP A 30 11.182 -10.826 -4.198 1.00 0.00 N ATOM 436 CA TRP A 30 11.583 -11.934 -3.340 1.00 0.00 C ATOM 437 C TRP A 30 10.589 -12.157 -2.196 1.00 0.00 C ATOM 438 O TRP A 30 10.586 -13.227 -1.587 1.00 0.00 O ATOM 439 CB TRP A 30 12.988 -11.674 -2.781 1.00 0.00 C ATOM 440 CG TRP A 30 13.186 -10.377 -2.052 1.00 0.00 C ATOM 441 CD1 TRP A 30 13.824 -9.301 -2.558 1.00 0.00 C ATOM 442 CD2 TRP A 30 12.775 -9.994 -0.701 1.00 0.00 C ATOM 443 NE1 TRP A 30 13.822 -8.278 -1.638 1.00 0.00 N ATOM 444 CE2 TRP A 30 13.169 -8.640 -0.479 1.00 0.00 C ATOM 445 CE3 TRP A 30 12.120 -10.648 0.366 1.00 0.00 C ATOM 446 CZ2 TRP A 30 12.889 -7.961 0.717 1.00 0.00 C ATOM 447 CZ3 TRP A 30 11.813 -9.971 1.560 1.00 0.00 C ATOM 448 CH2 TRP A 30 12.180 -8.625 1.731 1.00 0.00 C ATOM 0 H TRP A 30 11.788 -10.008 -4.138 1.00 0.00 H new ATOM 0 HA TRP A 30 11.593 -12.841 -3.944 1.00 0.00 H new ATOM 0 HB2 TRP A 30 13.243 -12.489 -2.104 1.00 0.00 H new ATOM 0 HB3 TRP A 30 13.697 -11.713 -3.608 1.00 0.00 H new ATOM 0 HD1 TRP A 30 14.270 -9.250 -3.540 1.00 0.00 H new ATOM 0 HE1 TRP A 30 14.250 -7.365 -1.794 1.00 0.00 H new ATOM 0 HE3 TRP A 30 11.850 -11.689 0.263 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 13.215 -6.941 0.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 11.291 -10.489 2.351 1.00 0.00 H new ATOM 0 HH2 TRP A 30 11.918 -8.103 2.639 1.00 0.00 H new ATOM 459 N CYS A 31 9.741 -11.177 -1.870 1.00 0.00 N ATOM 460 CA CYS A 31 8.817 -11.328 -0.757 1.00 0.00 C ATOM 461 C CYS A 31 7.631 -12.198 -1.167 1.00 0.00 C ATOM 462 O CYS A 31 6.577 -11.696 -1.548 1.00 0.00 O ATOM 463 CB CYS A 31 8.354 -9.969 -0.243 1.00 0.00 C ATOM 464 SG CYS A 31 7.093 -10.122 1.037 1.00 0.00 S ATOM 0 H CYS A 31 9.680 -10.283 -2.358 1.00 0.00 H new ATOM 0 HA CYS A 31 9.339 -11.827 0.060 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.209 -9.422 0.154 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.958 -9.383 -1.073 1.00 0.00 H new ATOM 469 N GLY A 32 7.801 -13.516 -1.061 1.00 0.00 N ATOM 470 CA GLY A 32 6.765 -14.510 -1.323 1.00 0.00 C ATOM 471 C GLY A 32 5.364 -14.096 -0.847 1.00 0.00 C ATOM 472 O GLY A 32 4.460 -13.987 -1.679 1.00 0.00 O ATOM 0 H GLY A 32 8.690 -13.932 -0.782 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.729 -14.708 -2.394 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.041 -15.445 -0.835 1.00 0.00 H new ATOM 476 N PRO A 33 5.148 -13.839 0.458 1.00 0.00 N ATOM 477 CA PRO A 33 3.828 -13.493 0.963 1.00 0.00 C ATOM 478 C PRO A 33 3.320 -12.153 0.411 1.00 0.00 C ATOM 479 O PRO A 33 2.124 -11.888 0.495 1.00 0.00 O ATOM 480 CB PRO A 33 3.933 -13.498 2.486 1.00 0.00 C ATOM 481 CG PRO A 33 5.396 -13.160 2.720 1.00 0.00 C ATOM 482 CD PRO A 33 6.105 -13.857 1.555 1.00 0.00 C ATOM 0 HA PRO A 33 3.087 -14.219 0.628 1.00 0.00 H new ATOM 0 HB2 PRO A 33 3.270 -12.762 2.940 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.669 -14.468 2.907 1.00 0.00 H new ATOM 0 HG2 PRO A 33 5.567 -12.084 2.710 1.00 0.00 H new ATOM 0 HG3 PRO A 33 5.746 -13.530 3.684 1.00 0.00 H new ATOM 0 HD2 PRO A 33 7.023 -13.336 1.285 1.00 0.00 H new ATOM 0 HD3 PRO A 33 6.383 -14.878 1.818 1.00 0.00 H new ATOM 490 N CYS A 34 4.196 -11.303 -0.142 1.00 0.00 N ATOM 491 CA CYS A 34 3.781 -10.067 -0.795 1.00 0.00 C ATOM 492 C CYS A 34 3.328 -10.420 -2.216 1.00 0.00 C ATOM 493 O CYS A 34 2.268 -10.008 -2.685 1.00 0.00 O ATOM 494 CB CYS A 34 4.916 -9.038 -0.887 1.00 0.00 C ATOM 495 SG CYS A 34 5.813 -8.546 0.605 1.00 0.00 S ATOM 0 H CYS A 34 5.204 -11.457 -0.146 1.00 0.00 H new ATOM 0 HA CYS A 34 2.982 -9.620 -0.204 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.650 -9.427 -1.593 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.498 -8.133 -1.328 1.00 0.00 H new ATOM 500 N ARG A 35 4.160 -11.204 -2.907 1.00 0.00 N ATOM 501 CA ARG A 35 3.952 -11.651 -4.275 1.00 0.00 C ATOM 502 C ARG A 35 2.562 -12.263 -4.425 1.00 0.00 C ATOM 503 O ARG A 35 1.813 -11.885 -5.323 1.00 0.00 O ATOM 504 CB ARG A 35 5.064 -12.648 -4.653 1.00 0.00 C ATOM 505 CG ARG A 35 5.449 -12.608 -6.139 1.00 0.00 C ATOM 506 CD ARG A 35 4.318 -13.007 -7.092 1.00 0.00 C ATOM 507 NE ARG A 35 3.838 -14.372 -6.822 1.00 0.00 N ATOM 508 CZ ARG A 35 2.581 -14.815 -6.982 1.00 0.00 C ATOM 509 NH1 ARG A 35 1.555 -13.968 -7.121 1.00 0.00 N ATOM 510 NH2 ARG A 35 2.353 -16.132 -6.996 1.00 0.00 N ATOM 0 H ARG A 35 5.030 -11.555 -2.507 1.00 0.00 H new ATOM 0 HA ARG A 35 4.005 -10.803 -4.958 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.948 -12.437 -4.052 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.738 -13.656 -4.398 1.00 0.00 H new ATOM 0 HG2 ARG A 35 5.782 -11.601 -6.390 1.00 0.00 H new ATOM 0 HG3 ARG A 35 6.297 -13.273 -6.301 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.491 -12.304 -6.991 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.669 -12.941 -8.122 1.00 0.00 H new ATOM 0 HE ARG A 35 4.525 -15.044 -6.481 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.719 -12.961 -7.107 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.609 -14.329 -7.241 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.129 -16.785 -6.886 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.403 -16.484 -7.117 1.00 0.00 H new ATOM 524 N ILE A 36 2.203 -13.185 -3.532 1.00 0.00 N ATOM 525 CA ILE A 36 0.911 -13.858 -3.610 1.00 0.00 C ATOM 526 C ILE A 36 -0.264 -12.888 -3.440 1.00 0.00 C ATOM 527 O ILE A 36 -1.288 -13.097 -4.083 1.00 0.00 O ATOM 528 CB ILE A 36 0.839 -15.022 -2.614 1.00 0.00 C ATOM 529 CG1 ILE A 36 0.965 -14.505 -1.176 1.00 0.00 C ATOM 530 CG2 ILE A 36 1.942 -16.030 -2.969 1.00 0.00 C ATOM 531 CD1 ILE A 36 0.866 -15.606 -0.128 1.00 0.00 C ATOM 0 H ILE A 36 2.787 -13.481 -2.750 1.00 0.00 H new ATOM 0 HA ILE A 36 0.822 -14.272 -4.615 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.127 -15.523 -2.679 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.920 -13.992 -1.064 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.184 -13.768 -0.993 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.908 -16.867 -2.272 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.787 -16.397 -3.984 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.915 -15.543 -2.904 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.963 -15.171 0.867 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.100 -16.104 -0.214 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.664 -16.332 -0.286 1.00 0.00 H new ATOM 543 N ILE A 37 -0.160 -11.860 -2.584 1.00 0.00 N ATOM 544 CA ILE A 37 -1.258 -10.902 -2.430 1.00 0.00 C ATOM 545 C ILE A 37 -1.259 -9.864 -3.562 1.00 0.00 C ATOM 546 O ILE A 37 -2.310 -9.321 -3.869 1.00 0.00 O ATOM 547 CB ILE A 37 -1.276 -10.227 -1.041 1.00 0.00 C ATOM 548 CG1 ILE A 37 -0.015 -9.396 -0.765 1.00 0.00 C ATOM 549 CG2 ILE A 37 -1.470 -11.293 0.047 1.00 0.00 C ATOM 550 CD1 ILE A 37 -0.126 -8.547 0.503 1.00 0.00 C ATOM 0 H ILE A 37 0.656 -11.675 -2.001 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.181 -11.477 -2.502 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.113 -9.528 -1.028 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.842 -10.064 -0.675 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.178 -8.744 -1.617 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.482 -10.815 1.027 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.415 -11.811 -0.116 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.650 -12.010 0.004 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.796 -7.982 0.645 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.963 -7.856 0.406 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.289 -9.197 1.363 1.00 0.00 H new ATOM 562 N ALA A 38 -0.124 -9.575 -4.207 1.00 0.00 N ATOM 563 CA ALA A 38 -0.023 -8.589 -5.289 1.00 0.00 C ATOM 564 C ALA A 38 -1.215 -8.595 -6.276 1.00 0.00 C ATOM 565 O ALA A 38 -1.749 -7.516 -6.536 1.00 0.00 O ATOM 566 CB ALA A 38 1.318 -8.744 -6.019 1.00 0.00 C ATOM 0 H ALA A 38 0.764 -10.026 -3.989 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.067 -7.609 -4.814 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.383 -8.008 -6.820 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.136 -8.588 -5.315 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.389 -9.747 -6.441 1.00 0.00 H new ATOM 572 N PRO A 39 -1.681 -9.738 -6.818 1.00 0.00 N ATOM 573 CA PRO A 39 -2.843 -9.783 -7.699 1.00 0.00 C ATOM 574 C PRO A 39 -4.087 -9.292 -6.952 1.00 0.00 C ATOM 575 O PRO A 39 -4.925 -8.581 -7.503 1.00 0.00 O ATOM 576 CB PRO A 39 -2.999 -11.246 -8.142 1.00 0.00 C ATOM 577 CG PRO A 39 -1.637 -11.865 -7.835 1.00 0.00 C ATOM 578 CD PRO A 39 -1.225 -11.091 -6.588 1.00 0.00 C ATOM 0 HA PRO A 39 -2.717 -9.135 -8.566 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -3.799 -11.747 -7.596 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -3.242 -11.320 -9.202 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -1.706 -12.937 -7.648 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.931 -11.729 -8.654 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.681 -11.514 -5.693 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.145 -11.124 -6.442 1.00 0.00 H new ATOM 586 N VAL A 40 -4.192 -9.680 -5.677 1.00 0.00 N ATOM 587 CA VAL A 40 -5.243 -9.231 -4.778 1.00 0.00 C ATOM 588 C VAL A 40 -5.163 -7.702 -4.696 1.00 0.00 C ATOM 589 O VAL A 40 -6.172 -7.020 -4.849 1.00 0.00 O ATOM 590 CB VAL A 40 -5.138 -9.949 -3.407 1.00 0.00 C ATOM 591 CG1 VAL A 40 -5.001 -9.025 -2.186 1.00 0.00 C ATOM 592 CG2 VAL A 40 -6.379 -10.817 -3.197 1.00 0.00 C ATOM 0 H VAL A 40 -3.535 -10.326 -5.240 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.232 -9.496 -5.152 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.216 -10.528 -3.463 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.935 -9.627 -1.280 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.100 -8.421 -2.286 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.871 -8.371 -2.125 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.310 -11.324 -2.234 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.269 -10.189 -3.213 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.444 -11.558 -3.994 1.00 0.00 H new ATOM 602 N VAL A 41 -3.961 -7.151 -4.502 1.00 0.00 N ATOM 603 CA VAL A 41 -3.774 -5.710 -4.413 1.00 0.00 C ATOM 604 C VAL A 41 -4.246 -5.055 -5.725 1.00 0.00 C ATOM 605 O VAL A 41 -4.922 -4.023 -5.700 1.00 0.00 O ATOM 606 CB VAL A 41 -2.304 -5.361 -4.082 1.00 0.00 C ATOM 607 CG1 VAL A 41 -2.144 -3.849 -3.869 1.00 0.00 C ATOM 608 CG2 VAL A 41 -1.789 -6.072 -2.820 1.00 0.00 C ATOM 0 H VAL A 41 -3.101 -7.690 -4.404 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.377 -5.314 -3.596 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.718 -5.701 -4.936 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.103 -3.622 -3.637 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.437 -3.321 -4.776 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.778 -3.529 -3.042 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.752 -5.787 -2.639 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.399 -5.782 -1.965 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.850 -7.151 -2.960 1.00 0.00 H new ATOM 618 N ASP A 42 -3.905 -5.662 -6.871 1.00 0.00 N ATOM 619 CA ASP A 42 -4.319 -5.174 -8.184 1.00 0.00 C ATOM 620 C ASP A 42 -5.850 -5.105 -8.270 1.00 0.00 C ATOM 621 O ASP A 42 -6.402 -4.041 -8.546 1.00 0.00 O ATOM 622 CB ASP A 42 -3.753 -6.052 -9.315 1.00 0.00 C ATOM 623 CG ASP A 42 -2.231 -6.010 -9.443 1.00 0.00 C ATOM 624 OD1 ASP A 42 -1.663 -4.894 -9.425 1.00 0.00 O ATOM 625 OD2 ASP A 42 -1.639 -7.098 -9.601 1.00 0.00 O ATOM 0 H ASP A 42 -3.333 -6.506 -6.908 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.914 -4.170 -8.311 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.063 -7.083 -9.148 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.194 -5.735 -10.260 1.00 0.00 H new ATOM 630 N GLU A 43 -6.567 -6.210 -8.030 1.00 0.00 N ATOM 631 CA GLU A 43 -8.022 -6.171 -8.122 1.00 0.00 C ATOM 632 C GLU A 43 -8.616 -5.210 -7.083 1.00 0.00 C ATOM 633 O GLU A 43 -9.580 -4.511 -7.391 1.00 0.00 O ATOM 634 CB GLU A 43 -8.618 -7.576 -8.018 1.00 0.00 C ATOM 635 CG GLU A 43 -8.291 -8.274 -6.700 1.00 0.00 C ATOM 636 CD GLU A 43 -8.960 -9.629 -6.536 1.00 0.00 C ATOM 637 OE1 GLU A 43 -9.792 -9.983 -7.400 1.00 0.00 O ATOM 638 OE2 GLU A 43 -8.633 -10.284 -5.524 1.00 0.00 O ATOM 0 H GLU A 43 -6.172 -7.116 -7.778 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.291 -5.783 -9.104 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.700 -7.513 -8.129 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.247 -8.183 -8.844 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.211 -8.402 -6.627 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.592 -7.629 -5.875 1.00 0.00 H new ATOM 645 N ILE A 44 -8.060 -5.145 -5.864 1.00 0.00 N ATOM 646 CA ILE A 44 -8.508 -4.180 -4.868 1.00 0.00 C ATOM 647 C ILE A 44 -8.441 -2.793 -5.493 1.00 0.00 C ATOM 648 O ILE A 44 -9.393 -2.024 -5.372 1.00 0.00 O ATOM 649 CB ILE A 44 -7.674 -4.298 -3.579 1.00 0.00 C ATOM 650 CG1 ILE A 44 -8.122 -5.573 -2.850 1.00 0.00 C ATOM 651 CG2 ILE A 44 -7.860 -3.080 -2.658 1.00 0.00 C ATOM 652 CD1 ILE A 44 -7.270 -5.878 -1.616 1.00 0.00 C ATOM 0 H ILE A 44 -7.301 -5.751 -5.552 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.538 -4.378 -4.572 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.617 -4.340 -3.841 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.164 -5.468 -2.550 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.072 -6.417 -3.538 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.253 -3.206 -1.761 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.549 -2.176 -3.182 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -8.910 -2.993 -2.377 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.632 -6.790 -1.140 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.231 -6.013 -1.916 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.340 -5.049 -0.912 1.00 0.00 H new ATOM 664 N ALA A 45 -7.342 -2.458 -6.179 1.00 0.00 N ATOM 665 CA ALA A 45 -7.272 -1.185 -6.881 1.00 0.00 C ATOM 666 C ALA A 45 -8.444 -1.083 -7.851 1.00 0.00 C ATOM 667 O ALA A 45 -9.186 -0.110 -7.813 1.00 0.00 O ATOM 668 CB ALA A 45 -5.960 -1.060 -7.640 1.00 0.00 C ATOM 0 H ALA A 45 -6.509 -3.041 -6.259 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.323 -0.376 -6.153 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.929 -0.101 -8.157 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.127 -1.122 -6.940 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.882 -1.868 -8.368 1.00 0.00 H new ATOM 674 N GLY A 46 -8.629 -2.100 -8.696 1.00 0.00 N ATOM 675 CA GLY A 46 -9.747 -2.158 -9.629 1.00 0.00 C ATOM 676 C GLY A 46 -11.079 -1.799 -8.960 1.00 0.00 C ATOM 677 O GLY A 46 -11.879 -1.064 -9.532 1.00 0.00 O ATOM 0 H GLY A 46 -8.005 -2.905 -8.749 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.563 -1.474 -10.457 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.813 -3.160 -10.052 1.00 0.00 H new ATOM 681 N GLU A 47 -11.319 -2.302 -7.747 1.00 0.00 N ATOM 682 CA GLU A 47 -12.531 -2.018 -6.990 1.00 0.00 C ATOM 683 C GLU A 47 -12.564 -0.574 -6.458 1.00 0.00 C ATOM 684 O GLU A 47 -13.528 0.155 -6.689 1.00 0.00 O ATOM 685 CB GLU A 47 -12.644 -3.027 -5.836 1.00 0.00 C ATOM 686 CG GLU A 47 -12.827 -4.465 -6.353 1.00 0.00 C ATOM 687 CD GLU A 47 -12.808 -5.515 -5.242 1.00 0.00 C ATOM 688 OE1 GLU A 47 -12.250 -5.210 -4.164 1.00 0.00 O ATOM 689 OE2 GLU A 47 -13.329 -6.624 -5.496 1.00 0.00 O ATOM 0 H GLU A 47 -10.670 -2.922 -7.263 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.386 -2.119 -7.659 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.748 -2.974 -5.217 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.487 -2.759 -5.200 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.773 -4.533 -6.891 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.036 -4.690 -7.069 1.00 0.00 H new ATOM 696 N TYR A 48 -11.527 -0.165 -5.724 1.00 0.00 N ATOM 697 CA TYR A 48 -11.478 1.124 -5.020 1.00 0.00 C ATOM 698 C TYR A 48 -10.835 2.274 -5.823 1.00 0.00 C ATOM 699 O TYR A 48 -10.597 3.351 -5.272 1.00 0.00 O ATOM 700 CB TYR A 48 -10.764 0.913 -3.677 1.00 0.00 C ATOM 701 CG TYR A 48 -11.523 0.080 -2.659 1.00 0.00 C ATOM 702 CD1 TYR A 48 -11.361 -1.317 -2.606 1.00 0.00 C ATOM 703 CD2 TYR A 48 -12.320 0.721 -1.691 1.00 0.00 C ATOM 704 CE1 TYR A 48 -11.983 -2.066 -1.592 1.00 0.00 C ATOM 705 CE2 TYR A 48 -12.933 -0.025 -0.670 1.00 0.00 C ATOM 706 CZ TYR A 48 -12.763 -1.420 -0.619 1.00 0.00 C ATOM 707 OH TYR A 48 -13.337 -2.146 0.381 1.00 0.00 O ATOM 0 H TYR A 48 -10.684 -0.726 -5.598 1.00 0.00 H new ATOM 0 HA TYR A 48 -12.507 1.451 -4.869 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -9.803 0.436 -3.867 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -10.555 1.889 -3.239 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -10.756 -1.816 -3.348 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.461 1.791 -1.734 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -11.861 -3.139 -1.561 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -13.535 0.473 0.076 1.00 0.00 H new ATOM 0 HH TYR A 48 -13.919 -1.565 0.914 1.00 0.00 H new ATOM 717 N LYS A 49 -10.559 2.059 -7.113 1.00 0.00 N ATOM 718 CA LYS A 49 -9.965 3.033 -8.022 1.00 0.00 C ATOM 719 C LYS A 49 -10.620 4.410 -7.888 1.00 0.00 C ATOM 720 O LYS A 49 -11.809 4.506 -7.580 1.00 0.00 O ATOM 721 CB LYS A 49 -10.092 2.536 -9.473 1.00 0.00 C ATOM 722 CG LYS A 49 -11.548 2.266 -9.880 1.00 0.00 C ATOM 723 CD LYS A 49 -11.603 1.684 -11.297 1.00 0.00 C ATOM 724 CE LYS A 49 -13.048 1.451 -11.756 1.00 0.00 C ATOM 725 NZ LYS A 49 -13.780 0.562 -10.837 1.00 0.00 N ATOM 0 H LYS A 49 -10.752 1.166 -7.566 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.913 3.137 -7.756 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -9.662 3.278 -10.146 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.510 1.622 -9.592 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -12.007 1.572 -9.176 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -12.123 3.191 -9.837 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.106 2.363 -11.989 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.055 0.742 -11.326 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -13.566 2.408 -11.825 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -13.046 1.017 -12.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -14.391 -0.077 -11.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.102 0.002 -10.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -14.365 1.133 -10.194 1.00 0.00 H new ATOM 739 N ASP A 50 -9.839 5.471 -8.126 1.00 0.00 N ATOM 740 CA ASP A 50 -10.237 6.880 -8.068 1.00 0.00 C ATOM 741 C ASP A 50 -10.394 7.359 -6.630 1.00 0.00 C ATOM 742 O ASP A 50 -9.805 8.356 -6.227 1.00 0.00 O ATOM 743 CB ASP A 50 -11.543 7.125 -8.833 1.00 0.00 C ATOM 744 CG ASP A 50 -11.785 8.616 -9.015 1.00 0.00 C ATOM 745 OD1 ASP A 50 -11.192 9.175 -9.962 1.00 0.00 O ATOM 746 OD2 ASP A 50 -12.556 9.166 -8.199 1.00 0.00 O ATOM 0 H ASP A 50 -8.857 5.361 -8.378 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.438 7.450 -8.542 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.498 6.637 -9.807 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.377 6.679 -8.291 1.00 0.00 H new ATOM 751 N LYS A 51 -11.144 6.592 -5.847 1.00 0.00 N ATOM 752 CA LYS A 51 -11.502 6.909 -4.479 1.00 0.00 C ATOM 753 C LYS A 51 -10.339 6.636 -3.528 1.00 0.00 C ATOM 754 O LYS A 51 -10.232 7.282 -2.489 1.00 0.00 O ATOM 755 CB LYS A 51 -12.674 6.010 -4.069 1.00 0.00 C ATOM 756 CG LYS A 51 -13.885 6.107 -5.014 1.00 0.00 C ATOM 757 CD LYS A 51 -14.984 5.089 -4.667 1.00 0.00 C ATOM 758 CE LYS A 51 -14.575 3.617 -4.860 1.00 0.00 C ATOM 759 NZ LYS A 51 -14.136 3.318 -6.238 1.00 0.00 N ATOM 0 H LYS A 51 -11.530 5.702 -6.163 1.00 0.00 H new ATOM 0 HA LYS A 51 -11.764 7.965 -4.421 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -12.333 4.975 -4.034 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -12.989 6.276 -3.060 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -14.299 7.114 -4.967 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -13.555 5.945 -6.040 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -15.284 5.237 -3.629 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -15.859 5.294 -5.284 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.769 3.375 -4.167 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -15.418 2.975 -4.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.938 2.301 -6.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -14.887 3.584 -6.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.274 3.858 -6.453 1.00 0.00 H new ATOM 773 N LEU A 52 -9.486 5.674 -3.876 1.00 0.00 N ATOM 774 CA LEU A 52 -8.352 5.234 -3.081 1.00 0.00 C ATOM 775 C LEU A 52 -7.191 4.934 -4.026 1.00 0.00 C ATOM 776 O LEU A 52 -7.316 4.096 -4.919 1.00 0.00 O ATOM 777 CB LEU A 52 -8.781 3.978 -2.314 1.00 0.00 C ATOM 778 CG LEU A 52 -7.758 3.385 -1.335 1.00 0.00 C ATOM 779 CD1 LEU A 52 -7.464 4.331 -0.168 1.00 0.00 C ATOM 780 CD2 LEU A 52 -8.351 2.080 -0.790 1.00 0.00 C ATOM 0 H LEU A 52 -9.574 5.163 -4.754 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.032 5.996 -2.370 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.688 4.213 -1.757 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.043 3.209 -3.040 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.817 3.218 -1.859 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.735 3.870 0.499 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.062 5.269 -0.552 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.385 4.528 0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.651 1.627 -0.088 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.290 2.293 -0.279 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.534 1.391 -1.615 1.00 0.00 H new ATOM 792 N LYS A 53 -6.056 5.603 -3.855 1.00 0.00 N ATOM 793 CA LYS A 53 -4.903 5.389 -4.706 1.00 0.00 C ATOM 794 C LYS A 53 -4.197 4.117 -4.232 1.00 0.00 C ATOM 795 O LYS A 53 -3.392 4.138 -3.306 1.00 0.00 O ATOM 796 CB LYS A 53 -3.997 6.632 -4.668 1.00 0.00 C ATOM 797 CG LYS A 53 -3.567 7.054 -6.079 1.00 0.00 C ATOM 798 CD LYS A 53 -2.647 5.996 -6.715 1.00 0.00 C ATOM 799 CE LYS A 53 -2.383 6.288 -8.198 1.00 0.00 C ATOM 800 NZ LYS A 53 -1.789 7.620 -8.413 1.00 0.00 N ATOM 0 H LYS A 53 -5.915 6.303 -3.127 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.191 5.249 -5.748 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.525 7.455 -4.186 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.114 6.422 -4.064 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.448 7.198 -6.704 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.049 8.012 -6.034 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.700 5.967 -6.176 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.102 5.011 -6.614 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.716 5.527 -8.602 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.319 6.217 -8.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.046 7.556 -9.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.526 8.282 -8.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.375 7.963 -7.523 1.00 0.00 H new ATOM 814 N CYS A 54 -4.520 2.980 -4.840 1.00 0.00 N ATOM 815 CA CYS A 54 -3.881 1.725 -4.470 1.00 0.00 C ATOM 816 C CYS A 54 -2.503 1.654 -5.132 1.00 0.00 C ATOM 817 O CYS A 54 -2.366 1.980 -6.315 1.00 0.00 O ATOM 818 CB CYS A 54 -4.768 0.560 -4.883 1.00 0.00 C ATOM 819 SG CYS A 54 -3.943 -0.970 -4.395 1.00 0.00 S ATOM 0 H CYS A 54 -5.214 2.903 -5.584 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.744 1.669 -3.390 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -5.744 0.636 -4.404 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -4.939 0.574 -5.959 1.00 0.00 H new ATOM 0 HG CYS A 54 -4.488 -1.974 -5.015 1.00 0.00 H new ATOM 825 N VAL A 55 -1.471 1.279 -4.372 1.00 0.00 N ATOM 826 CA VAL A 55 -0.096 1.266 -4.856 1.00 0.00 C ATOM 827 C VAL A 55 0.717 0.124 -4.245 1.00 0.00 C ATOM 828 O VAL A 55 0.300 -0.511 -3.277 1.00 0.00 O ATOM 829 CB VAL A 55 0.601 2.616 -4.552 1.00 0.00 C ATOM 830 CG1 VAL A 55 1.180 3.205 -5.837 1.00 0.00 C ATOM 831 CG2 VAL A 55 -0.282 3.690 -3.908 1.00 0.00 C ATOM 0 H VAL A 55 -1.570 0.976 -3.403 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.140 1.111 -5.934 1.00 0.00 H new ATOM 0 HB VAL A 55 1.368 2.361 -3.821 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.668 4.154 -5.615 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.908 2.512 -6.259 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.377 3.370 -6.556 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.307 4.592 -3.739 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.117 3.920 -4.570 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.665 3.323 -2.956 1.00 0.00 H new ATOM 841 N LYS A 56 1.906 -0.105 -4.808 1.00 0.00 N ATOM 842 CA LYS A 56 2.869 -1.099 -4.364 1.00 0.00 C ATOM 843 C LYS A 56 4.273 -0.473 -4.326 1.00 0.00 C ATOM 844 O LYS A 56 4.840 -0.154 -5.375 1.00 0.00 O ATOM 845 CB LYS A 56 2.782 -2.315 -5.300 1.00 0.00 C ATOM 846 CG LYS A 56 1.945 -3.410 -4.629 1.00 0.00 C ATOM 847 CD LYS A 56 1.677 -4.617 -5.532 1.00 0.00 C ATOM 848 CE LYS A 56 0.688 -4.274 -6.652 1.00 0.00 C ATOM 849 NZ LYS A 56 0.267 -5.479 -7.385 1.00 0.00 N ATOM 0 H LYS A 56 2.231 0.422 -5.618 1.00 0.00 H new ATOM 0 HA LYS A 56 2.649 -1.440 -3.352 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.331 -2.026 -6.249 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.781 -2.690 -5.523 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.458 -3.747 -3.729 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.992 -2.985 -4.313 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.615 -4.962 -5.967 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.281 -5.438 -4.935 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.186 -3.780 -6.228 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.149 -3.569 -7.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.234 -5.200 -8.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.104 -6.044 -7.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.367 -6.046 -6.786 1.00 0.00 H new ATOM 863 N LEU A 57 4.841 -0.281 -3.128 1.00 0.00 N ATOM 864 CA LEU A 57 6.179 0.287 -2.986 1.00 0.00 C ATOM 865 C LEU A 57 7.219 -0.823 -3.003 1.00 0.00 C ATOM 866 O LEU A 57 7.241 -1.707 -2.140 1.00 0.00 O ATOM 867 CB LEU A 57 6.326 1.146 -1.724 1.00 0.00 C ATOM 868 CG LEU A 57 7.712 1.821 -1.678 1.00 0.00 C ATOM 869 CD1 LEU A 57 7.584 3.304 -1.333 1.00 0.00 C ATOM 870 CD2 LEU A 57 8.611 1.153 -0.637 1.00 0.00 C ATOM 0 H LEU A 57 4.389 -0.513 -2.243 1.00 0.00 H new ATOM 0 HA LEU A 57 6.341 0.951 -3.835 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.545 1.907 -1.704 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.189 0.525 -0.838 1.00 0.00 H new ATOM 0 HG LEU A 57 8.157 1.713 -2.667 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.575 3.758 -1.306 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.976 3.802 -2.089 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.110 3.411 -0.358 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.582 1.647 -0.624 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.150 1.234 0.347 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.742 0.101 -0.891 1.00 0.00 H new ATOM 882 N ASN A 58 8.105 -0.765 -4.001 1.00 0.00 N ATOM 883 CA ASN A 58 9.167 -1.748 -4.118 1.00 0.00 C ATOM 884 C ASN A 58 10.201 -1.504 -3.020 1.00 0.00 C ATOM 885 O ASN A 58 11.085 -0.657 -3.131 1.00 0.00 O ATOM 886 CB ASN A 58 9.799 -1.723 -5.509 1.00 0.00 C ATOM 887 CG ASN A 58 10.866 -2.812 -5.589 1.00 0.00 C ATOM 888 OD1 ASN A 58 11.874 -2.748 -4.897 1.00 0.00 O ATOM 889 ND2 ASN A 58 10.656 -3.843 -6.399 1.00 0.00 N ATOM 0 H ASN A 58 8.103 -0.052 -4.730 1.00 0.00 H new ATOM 0 HA ASN A 58 8.747 -2.746 -3.988 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.037 -1.885 -6.272 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.242 -0.746 -5.704 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.340 -4.598 -6.452 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.811 -3.880 -6.969 1.00 0.00 H new ATOM 896 N THR A 59 10.109 -2.301 -1.965 1.00 0.00 N ATOM 897 CA THR A 59 10.921 -2.218 -0.768 1.00 0.00 C ATOM 898 C THR A 59 12.232 -2.987 -0.967 1.00 0.00 C ATOM 899 O THR A 59 12.602 -3.856 -0.182 1.00 0.00 O ATOM 900 CB THR A 59 10.072 -2.729 0.405 1.00 0.00 C ATOM 901 OG1 THR A 59 8.802 -2.096 0.384 1.00 0.00 O ATOM 902 CG2 THR A 59 10.736 -2.414 1.748 1.00 0.00 C ATOM 0 H THR A 59 9.430 -3.061 -1.923 1.00 0.00 H new ATOM 0 HA THR A 59 11.218 -1.193 -0.547 1.00 0.00 H new ATOM 0 HB THR A 59 9.971 -3.809 0.297 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.262 -2.469 -0.344 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.111 -2.788 2.559 1.00 0.00 H new ATOM 0 HG22 THR A 59 11.714 -2.894 1.792 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.856 -1.336 1.850 1.00 0.00 H new ATOM 910 N ASP A 60 12.928 -2.655 -2.052 1.00 0.00 N ATOM 911 CA ASP A 60 14.244 -3.174 -2.418 1.00 0.00 C ATOM 912 C ASP A 60 14.951 -2.038 -3.165 1.00 0.00 C ATOM 913 O ASP A 60 16.075 -1.654 -2.853 1.00 0.00 O ATOM 914 CB ASP A 60 14.069 -4.450 -3.250 1.00 0.00 C ATOM 915 CG ASP A 60 15.353 -5.263 -3.343 1.00 0.00 C ATOM 916 OD1 ASP A 60 16.294 -4.771 -4.000 1.00 0.00 O ATOM 917 OD2 ASP A 60 15.351 -6.376 -2.769 1.00 0.00 O ATOM 0 H ASP A 60 12.572 -1.984 -2.733 1.00 0.00 H new ATOM 0 HA ASP A 60 14.852 -3.464 -1.561 1.00 0.00 H new ATOM 0 HB2 ASP A 60 13.285 -5.064 -2.808 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.737 -4.184 -4.254 1.00 0.00 H new ATOM 922 N GLU A 61 14.195 -1.442 -4.090 1.00 0.00 N ATOM 923 CA GLU A 61 14.504 -0.243 -4.845 1.00 0.00 C ATOM 924 C GLU A 61 14.228 1.003 -3.991 1.00 0.00 C ATOM 925 O GLU A 61 14.776 2.067 -4.261 1.00 0.00 O ATOM 926 CB GLU A 61 13.594 -0.225 -6.082 1.00 0.00 C ATOM 927 CG GLU A 61 13.919 0.884 -7.088 1.00 0.00 C ATOM 928 CD GLU A 61 15.311 0.728 -7.697 1.00 0.00 C ATOM 929 OE1 GLU A 61 15.568 -0.365 -8.247 1.00 0.00 O ATOM 930 OE2 GLU A 61 16.090 1.700 -7.599 1.00 0.00 O ATOM 0 H GLU A 61 13.283 -1.821 -4.344 1.00 0.00 H new ATOM 0 HA GLU A 61 15.555 -0.239 -5.134 1.00 0.00 H new ATOM 0 HB2 GLU A 61 13.666 -1.189 -6.586 1.00 0.00 H new ATOM 0 HB3 GLU A 61 12.560 -0.112 -5.756 1.00 0.00 H new ATOM 0 HG2 GLU A 61 13.174 0.878 -7.884 1.00 0.00 H new ATOM 0 HG3 GLU A 61 13.849 1.852 -6.593 1.00 0.00 H new ATOM 937 N SER A 62 13.324 0.905 -3.004 1.00 0.00 N ATOM 938 CA SER A 62 12.943 2.016 -2.141 1.00 0.00 C ATOM 939 C SER A 62 12.920 1.691 -0.640 1.00 0.00 C ATOM 940 O SER A 62 11.931 1.966 0.040 1.00 0.00 O ATOM 941 CB SER A 62 11.579 2.507 -2.625 1.00 0.00 C ATOM 942 OG SER A 62 11.234 3.712 -1.981 1.00 0.00 O ATOM 0 H SER A 62 12.835 0.037 -2.786 1.00 0.00 H new ATOM 0 HA SER A 62 13.708 2.788 -2.222 1.00 0.00 H new ATOM 0 HB2 SER A 62 11.602 2.658 -3.704 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.821 1.750 -2.425 1.00 0.00 H new ATOM 0 HG SER A 62 11.286 3.590 -1.010 1.00 0.00 H new ATOM 948 N PRO A 63 14.035 1.195 -0.095 1.00 0.00 N ATOM 949 CA PRO A 63 14.213 0.905 1.310 1.00 0.00 C ATOM 950 C PRO A 63 14.278 2.213 2.089 1.00 0.00 C ATOM 951 O PRO A 63 14.011 2.229 3.283 1.00 0.00 O ATOM 952 CB PRO A 63 15.533 0.139 1.408 1.00 0.00 C ATOM 953 CG PRO A 63 16.335 0.649 0.211 1.00 0.00 C ATOM 954 CD PRO A 63 15.256 0.958 -0.823 1.00 0.00 C ATOM 0 HA PRO A 63 13.393 0.320 1.726 1.00 0.00 H new ATOM 0 HB2 PRO A 63 16.045 0.341 2.349 1.00 0.00 H new ATOM 0 HB3 PRO A 63 15.376 -0.938 1.356 1.00 0.00 H new ATOM 0 HG2 PRO A 63 16.917 1.536 0.464 1.00 0.00 H new ATOM 0 HG3 PRO A 63 17.038 -0.101 -0.152 1.00 0.00 H new ATOM 0 HD2 PRO A 63 15.528 1.831 -1.416 1.00 0.00 H new ATOM 0 HD3 PRO A 63 15.137 0.126 -1.517 1.00 0.00 H new ATOM 962 N ASN A 64 14.651 3.302 1.410 1.00 0.00 N ATOM 963 CA ASN A 64 14.730 4.655 1.946 1.00 0.00 C ATOM 964 C ASN A 64 13.483 4.939 2.778 1.00 0.00 C ATOM 965 O ASN A 64 13.558 5.195 3.977 1.00 0.00 O ATOM 966 CB ASN A 64 14.839 5.680 0.800 1.00 0.00 C ATOM 967 CG ASN A 64 15.977 5.393 -0.176 1.00 0.00 C ATOM 968 OD1 ASN A 64 16.094 4.280 -0.683 1.00 0.00 O ATOM 969 ND2 ASN A 64 16.810 6.385 -0.470 1.00 0.00 N ATOM 0 H ASN A 64 14.917 3.257 0.426 1.00 0.00 H new ATOM 0 HA ASN A 64 15.617 4.741 2.573 1.00 0.00 H new ATOM 0 HB2 ASN A 64 13.898 5.699 0.251 1.00 0.00 H new ATOM 0 HB3 ASN A 64 14.980 6.674 1.226 1.00 0.00 H new ATOM 0 HD21 ASN A 64 17.571 6.233 -1.132 1.00 0.00 H new ATOM 0 HD22 ASN A 64 16.689 7.299 -0.034 1.00 0.00 H new ATOM 976 N VAL A 65 12.325 4.829 2.129 1.00 0.00 N ATOM 977 CA VAL A 65 11.029 5.068 2.735 1.00 0.00 C ATOM 978 C VAL A 65 10.832 4.138 3.926 1.00 0.00 C ATOM 979 O VAL A 65 10.521 4.583 5.030 1.00 0.00 O ATOM 980 CB VAL A 65 9.945 4.858 1.670 1.00 0.00 C ATOM 981 CG1 VAL A 65 8.552 5.050 2.269 1.00 0.00 C ATOM 982 CG2 VAL A 65 10.140 5.859 0.527 1.00 0.00 C ATOM 0 H VAL A 65 12.267 4.565 1.145 1.00 0.00 H new ATOM 0 HA VAL A 65 10.964 6.091 3.106 1.00 0.00 H new ATOM 0 HB VAL A 65 10.031 3.839 1.292 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.799 4.896 1.496 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.399 4.330 3.073 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.463 6.061 2.666 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.368 5.706 -0.227 1.00 0.00 H new ATOM 0 HG22 VAL A 65 10.070 6.875 0.917 1.00 0.00 H new ATOM 0 HG23 VAL A 65 11.121 5.710 0.076 1.00 0.00 H new ATOM 992 N ALA A 66 11.012 2.839 3.690 1.00 0.00 N ATOM 993 CA ALA A 66 10.851 1.836 4.735 1.00 0.00 C ATOM 994 C ALA A 66 11.691 2.189 5.969 1.00 0.00 C ATOM 995 O ALA A 66 11.222 2.041 7.094 1.00 0.00 O ATOM 996 CB ALA A 66 11.218 0.456 4.189 1.00 0.00 C ATOM 0 H ALA A 66 11.270 2.458 2.780 1.00 0.00 H new ATOM 0 HA ALA A 66 9.807 1.818 5.048 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.096 -0.290 4.974 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.566 0.211 3.351 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.255 0.462 3.852 1.00 0.00 H new ATOM 1002 N SER A 67 12.913 2.680 5.757 1.00 0.00 N ATOM 1003 CA SER A 67 13.827 3.076 6.817 1.00 0.00 C ATOM 1004 C SER A 67 13.323 4.337 7.517 1.00 0.00 C ATOM 1005 O SER A 67 13.288 4.392 8.742 1.00 0.00 O ATOM 1006 CB SER A 67 15.230 3.294 6.239 1.00 0.00 C ATOM 1007 OG SER A 67 15.648 2.152 5.516 1.00 0.00 O ATOM 0 H SER A 67 13.298 2.814 4.822 1.00 0.00 H new ATOM 0 HA SER A 67 13.876 2.279 7.559 1.00 0.00 H new ATOM 0 HB2 SER A 67 15.230 4.166 5.585 1.00 0.00 H new ATOM 0 HB3 SER A 67 15.934 3.500 7.045 1.00 0.00 H new ATOM 0 HG SER A 67 15.135 2.086 4.683 1.00 0.00 H new ATOM 1013 N GLU A 68 12.936 5.347 6.734 1.00 0.00 N ATOM 1014 CA GLU A 68 12.416 6.616 7.235 1.00 0.00 C ATOM 1015 C GLU A 68 11.216 6.376 8.156 1.00 0.00 C ATOM 1016 O GLU A 68 11.124 6.982 9.220 1.00 0.00 O ATOM 1017 CB GLU A 68 12.012 7.510 6.056 1.00 0.00 C ATOM 1018 CG GLU A 68 13.231 8.044 5.288 1.00 0.00 C ATOM 1019 CD GLU A 68 12.860 8.468 3.869 1.00 0.00 C ATOM 1020 OE1 GLU A 68 11.768 9.058 3.716 1.00 0.00 O ATOM 1021 OE2 GLU A 68 13.670 8.190 2.959 1.00 0.00 O ATOM 0 H GLU A 68 12.977 5.302 5.716 1.00 0.00 H new ATOM 0 HA GLU A 68 13.195 7.116 7.811 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.375 6.945 5.375 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.421 8.348 6.424 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.655 8.894 5.823 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.002 7.275 5.249 1.00 0.00 H new ATOM 1028 N TYR A 69 10.298 5.496 7.746 1.00 0.00 N ATOM 1029 CA TYR A 69 9.122 5.179 8.547 1.00 0.00 C ATOM 1030 C TYR A 69 9.487 4.199 9.669 1.00 0.00 C ATOM 1031 O TYR A 69 8.889 4.245 10.740 1.00 0.00 O ATOM 1032 CB TYR A 69 8.018 4.628 7.636 1.00 0.00 C ATOM 1033 CG TYR A 69 7.198 5.736 6.999 1.00 0.00 C ATOM 1034 CD1 TYR A 69 7.615 6.308 5.782 1.00 0.00 C ATOM 1035 CD2 TYR A 69 6.192 6.371 7.753 1.00 0.00 C ATOM 1036 CE1 TYR A 69 7.072 7.531 5.353 1.00 0.00 C ATOM 1037 CE2 TYR A 69 5.652 7.598 7.327 1.00 0.00 C ATOM 1038 CZ TYR A 69 6.126 8.197 6.147 1.00 0.00 C ATOM 1039 OH TYR A 69 5.695 9.437 5.782 1.00 0.00 O ATOM 0 H TYR A 69 10.351 4.992 6.861 1.00 0.00 H new ATOM 0 HA TYR A 69 8.746 6.084 9.024 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.466 4.014 6.855 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.361 3.978 8.215 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.354 5.805 5.176 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.833 5.913 8.663 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.383 7.959 4.411 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.876 8.078 7.905 1.00 0.00 H new ATOM 0 HH TYR A 69 5.040 9.761 6.435 1.00 0.00 H new ATOM 1049 N GLY A 70 10.458 3.316 9.431 1.00 0.00 N ATOM 1050 CA GLY A 70 10.957 2.369 10.419 1.00 0.00 C ATOM 1051 C GLY A 70 10.154 1.075 10.383 1.00 0.00 C ATOM 1052 O GLY A 70 9.689 0.585 11.410 1.00 0.00 O ATOM 0 H GLY A 70 10.926 3.241 8.528 1.00 0.00 H new ATOM 0 HA2 GLY A 70 12.008 2.155 10.226 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.899 2.810 11.414 1.00 0.00 H new ATOM 1056 N ILE A 71 9.991 0.517 9.184 1.00 0.00 N ATOM 1057 CA ILE A 71 9.240 -0.710 8.973 1.00 0.00 C ATOM 1058 C ILE A 71 10.098 -1.913 9.380 1.00 0.00 C ATOM 1059 O ILE A 71 11.288 -1.973 9.078 1.00 0.00 O ATOM 1060 CB ILE A 71 8.787 -0.758 7.505 1.00 0.00 C ATOM 1061 CG1 ILE A 71 7.808 0.407 7.276 1.00 0.00 C ATOM 1062 CG2 ILE A 71 8.128 -2.101 7.174 1.00 0.00 C ATOM 1063 CD1 ILE A 71 7.219 0.414 5.869 1.00 0.00 C ATOM 0 H ILE A 71 10.381 0.911 8.328 1.00 0.00 H new ATOM 0 HA ILE A 71 8.346 -0.742 9.596 1.00 0.00 H new ATOM 0 HB ILE A 71 9.649 -0.659 6.845 1.00 0.00 H new ATOM 0 HG12 ILE A 71 6.999 0.344 8.004 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.324 1.350 7.454 1.00 0.00 H new ATOM 0 HG21 ILE A 71 7.818 -2.106 6.129 1.00 0.00 H new ATOM 0 HG22 ILE A 71 8.841 -2.908 7.345 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.256 -2.246 7.812 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.536 1.257 5.765 1.00 0.00 H new ATOM 0 HD12 ILE A 71 8.023 0.506 5.139 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.677 -0.516 5.697 1.00 0.00 H new ATOM 1075 N ARG A 72 9.478 -2.899 10.040 1.00 0.00 N ATOM 1076 CA ARG A 72 10.174 -4.077 10.543 1.00 0.00 C ATOM 1077 C ARG A 72 10.431 -5.092 9.428 1.00 0.00 C ATOM 1078 O ARG A 72 11.489 -5.719 9.404 1.00 0.00 O ATOM 1079 CB ARG A 72 9.349 -4.692 11.685 1.00 0.00 C ATOM 1080 CG ARG A 72 10.028 -5.924 12.304 1.00 0.00 C ATOM 1081 CD ARG A 72 9.492 -7.242 11.732 1.00 0.00 C ATOM 1082 NE ARG A 72 10.260 -8.395 12.217 1.00 0.00 N ATOM 1083 CZ ARG A 72 11.472 -8.770 11.778 1.00 0.00 C ATOM 1084 NH1 ARG A 72 12.129 -8.054 10.858 1.00 0.00 N ATOM 1085 NH2 ARG A 72 12.029 -9.879 12.275 1.00 0.00 N ATOM 0 H ARG A 72 8.477 -2.897 10.238 1.00 0.00 H new ATOM 0 HA ARG A 72 11.151 -3.782 10.925 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.190 -3.941 12.459 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.366 -4.974 11.308 1.00 0.00 H new ATOM 0 HG2 ARG A 72 11.103 -5.867 12.131 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.878 -5.913 13.384 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.444 -7.360 12.009 1.00 0.00 H new ATOM 0 HD3 ARG A 72 9.532 -7.210 10.643 1.00 0.00 H new ATOM 0 HE ARG A 72 9.836 -8.961 12.952 1.00 0.00 H new ATOM 0 HH11 ARG A 72 11.710 -7.206 10.477 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.049 -8.356 10.538 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.534 -10.428 12.978 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.949 -10.177 11.951 1.00 0.00 H new ATOM 1099 N SER A 73 9.461 -5.311 8.538 1.00 0.00 N ATOM 1100 CA SER A 73 9.588 -6.221 7.409 1.00 0.00 C ATOM 1101 C SER A 73 8.420 -5.957 6.463 1.00 0.00 C ATOM 1102 O SER A 73 7.675 -4.998 6.656 1.00 0.00 O ATOM 1103 CB SER A 73 9.603 -7.687 7.873 1.00 0.00 C ATOM 1104 OG SER A 73 9.987 -8.528 6.800 1.00 0.00 O ATOM 0 H SER A 73 8.552 -4.851 8.587 1.00 0.00 H new ATOM 0 HA SER A 73 10.534 -6.047 6.896 1.00 0.00 H new ATOM 0 HB2 SER A 73 10.295 -7.807 8.706 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.616 -7.973 8.235 1.00 0.00 H new ATOM 0 HG SER A 73 9.996 -9.460 7.102 1.00 0.00 H new ATOM 1110 N ILE A 74 8.260 -6.819 5.463 1.00 0.00 N ATOM 1111 CA ILE A 74 7.217 -6.734 4.454 1.00 0.00 C ATOM 1112 C ILE A 74 6.535 -8.101 4.348 1.00 0.00 C ATOM 1113 O ILE A 74 7.183 -9.106 4.637 1.00 0.00 O ATOM 1114 CB ILE A 74 7.822 -6.271 3.116 1.00 0.00 C ATOM 1115 CG1 ILE A 74 9.027 -7.112 2.671 1.00 0.00 C ATOM 1116 CG2 ILE A 74 8.206 -4.790 3.232 1.00 0.00 C ATOM 1117 CD1 ILE A 74 9.491 -6.664 1.283 1.00 0.00 C ATOM 0 H ILE A 74 8.875 -7.622 5.331 1.00 0.00 H new ATOM 0 HA ILE A 74 6.463 -5.997 4.731 1.00 0.00 H new ATOM 0 HB ILE A 74 7.065 -6.409 2.344 1.00 0.00 H new ATOM 0 HG12 ILE A 74 9.841 -7.005 3.388 1.00 0.00 H new ATOM 0 HG13 ILE A 74 8.757 -8.168 2.650 1.00 0.00 H new ATOM 0 HG21 ILE A 74 8.636 -4.451 2.290 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.318 -4.200 3.459 1.00 0.00 H new ATOM 0 HG23 ILE A 74 8.938 -4.665 4.030 1.00 0.00 H new ATOM 0 HD11 ILE A 74 10.346 -7.265 0.974 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.678 -6.794 0.568 1.00 0.00 H new ATOM 0 HD13 ILE A 74 9.779 -5.613 1.317 1.00 0.00 H new ATOM 1129 N PRO A 75 5.257 -8.183 3.945 1.00 0.00 N ATOM 1130 CA PRO A 75 4.390 -7.089 3.530 1.00 0.00 C ATOM 1131 C PRO A 75 3.915 -6.215 4.690 1.00 0.00 C ATOM 1132 O PRO A 75 3.902 -6.629 5.849 1.00 0.00 O ATOM 1133 CB PRO A 75 3.190 -7.746 2.852 1.00 0.00 C ATOM 1134 CG PRO A 75 3.110 -9.107 3.548 1.00 0.00 C ATOM 1135 CD PRO A 75 4.568 -9.451 3.819 1.00 0.00 C ATOM 0 HA PRO A 75 4.941 -6.419 2.870 1.00 0.00 H new ATOM 0 HB2 PRO A 75 2.278 -7.166 2.993 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.339 -7.850 1.777 1.00 0.00 H new ATOM 0 HG2 PRO A 75 2.532 -9.053 4.470 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.632 -9.854 2.915 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.667 -10.042 4.729 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.987 -10.044 3.006 1.00 0.00 H new ATOM 1143 N THR A 76 3.546 -4.984 4.351 1.00 0.00 N ATOM 1144 CA THR A 76 3.012 -3.976 5.246 1.00 0.00 C ATOM 1145 C THR A 76 2.300 -2.983 4.329 1.00 0.00 C ATOM 1146 O THR A 76 2.922 -2.370 3.463 1.00 0.00 O ATOM 1147 CB THR A 76 4.131 -3.356 6.104 1.00 0.00 C ATOM 1148 OG1 THR A 76 4.481 -4.263 7.130 1.00 0.00 O ATOM 1149 CG2 THR A 76 3.693 -2.061 6.792 1.00 0.00 C ATOM 0 H THR A 76 3.617 -4.649 3.390 1.00 0.00 H new ATOM 0 HA THR A 76 2.312 -4.374 5.981 1.00 0.00 H new ATOM 0 HB THR A 76 4.962 -3.141 5.432 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.194 -5.166 6.880 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.519 -1.666 7.384 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.404 -1.329 6.038 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.844 -2.265 7.445 1.00 0.00 H new ATOM 1157 N ILE A 77 0.980 -2.903 4.465 1.00 0.00 N ATOM 1158 CA ILE A 77 0.106 -2.062 3.675 1.00 0.00 C ATOM 1159 C ILE A 77 -0.142 -0.805 4.487 1.00 0.00 C ATOM 1160 O ILE A 77 -0.814 -0.888 5.509 1.00 0.00 O ATOM 1161 CB ILE A 77 -1.197 -2.827 3.376 1.00 0.00 C ATOM 1162 CG1 ILE A 77 -0.893 -4.106 2.571 1.00 0.00 C ATOM 1163 CG2 ILE A 77 -2.163 -1.923 2.598 1.00 0.00 C ATOM 1164 CD1 ILE A 77 -2.089 -5.058 2.506 1.00 0.00 C ATOM 0 H ILE A 77 0.474 -3.450 5.162 1.00 0.00 H new ATOM 0 HA ILE A 77 0.545 -1.792 2.715 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.664 -3.116 4.318 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.596 -3.832 1.559 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.046 -4.623 3.023 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.083 -2.469 2.389 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.393 -1.039 3.193 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.700 -1.619 1.659 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.820 -5.942 1.927 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.371 -5.357 3.515 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.930 -4.554 2.029 1.00 0.00 H new ATOM 1176 N MET A 78 0.427 0.338 4.103 1.00 0.00 N ATOM 1177 CA MET A 78 0.196 1.592 4.807 1.00 0.00 C ATOM 1178 C MET A 78 -0.886 2.377 4.079 1.00 0.00 C ATOM 1179 O MET A 78 -0.935 2.374 2.848 1.00 0.00 O ATOM 1180 CB MET A 78 1.467 2.435 4.869 1.00 0.00 C ATOM 1181 CG MET A 78 2.571 1.797 5.711 1.00 0.00 C ATOM 1182 SD MET A 78 3.993 2.867 6.041 1.00 0.00 S ATOM 1183 CE MET A 78 4.614 2.058 7.529 1.00 0.00 C ATOM 0 H MET A 78 1.054 0.417 3.303 1.00 0.00 H new ATOM 0 HA MET A 78 -0.114 1.363 5.826 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.838 2.596 3.857 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.226 3.415 5.280 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.145 1.480 6.663 1.00 0.00 H new ATOM 0 HG3 MET A 78 2.921 0.898 5.204 1.00 0.00 H new ATOM 0 HE1 MET A 78 5.540 2.538 7.845 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.873 2.141 8.324 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.805 1.006 7.318 1.00 0.00 H new ATOM 1193 N VAL A 79 -1.739 3.055 4.845 1.00 0.00 N ATOM 1194 CA VAL A 79 -2.772 3.921 4.305 1.00 0.00 C ATOM 1195 C VAL A 79 -2.308 5.354 4.558 1.00 0.00 C ATOM 1196 O VAL A 79 -1.930 5.669 5.686 1.00 0.00 O ATOM 1197 CB VAL A 79 -4.126 3.618 4.961 1.00 0.00 C ATOM 1198 CG1 VAL A 79 -5.227 4.520 4.385 1.00 0.00 C ATOM 1199 CG2 VAL A 79 -4.520 2.151 4.733 1.00 0.00 C ATOM 0 H VAL A 79 -1.728 3.015 5.864 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.919 3.761 3.237 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.023 3.809 6.029 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.177 4.286 4.865 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.975 5.564 4.568 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.312 4.350 3.312 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.483 1.955 5.205 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.594 1.956 3.663 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.763 1.499 5.169 1.00 0.00 H new ATOM 1209 N PHE A 80 -2.316 6.209 3.532 1.00 0.00 N ATOM 1210 CA PHE A 80 -1.870 7.600 3.626 1.00 0.00 C ATOM 1211 C PHE A 80 -2.881 8.534 2.973 1.00 0.00 C ATOM 1212 O PHE A 80 -3.714 8.085 2.191 1.00 0.00 O ATOM 1213 CB PHE A 80 -0.517 7.769 2.921 1.00 0.00 C ATOM 1214 CG PHE A 80 0.697 7.232 3.655 1.00 0.00 C ATOM 1215 CD1 PHE A 80 1.129 5.912 3.436 1.00 0.00 C ATOM 1216 CD2 PHE A 80 1.538 8.128 4.341 1.00 0.00 C ATOM 1217 CE1 PHE A 80 2.406 5.508 3.868 1.00 0.00 C ATOM 1218 CE2 PHE A 80 2.766 7.692 4.862 1.00 0.00 C ATOM 1219 CZ PHE A 80 3.204 6.379 4.626 1.00 0.00 C ATOM 0 H PHE A 80 -2.637 5.950 2.599 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.774 7.852 4.682 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.574 7.278 1.950 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.360 8.831 2.732 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.481 5.208 2.936 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.237 9.157 4.467 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.773 4.524 3.615 1.00 0.00 H new ATOM 0 HE2 PHE A 80 3.375 8.367 5.445 1.00 0.00 H new ATOM 0 HZ PHE A 80 4.149 6.041 5.025 1.00 0.00 H new ATOM 1229 N LYS A 81 -2.800 9.828 3.298 1.00 0.00 N ATOM 1230 CA LYS A 81 -3.621 10.887 2.725 1.00 0.00 C ATOM 1231 C LYS A 81 -3.057 12.230 3.188 1.00 0.00 C ATOM 1232 O LYS A 81 -2.440 12.292 4.249 1.00 0.00 O ATOM 1233 CB LYS A 81 -5.098 10.754 3.160 1.00 0.00 C ATOM 1234 CG LYS A 81 -5.455 11.210 4.586 1.00 0.00 C ATOM 1235 CD LYS A 81 -4.648 10.485 5.671 1.00 0.00 C ATOM 1236 CE LYS A 81 -5.322 10.555 7.046 1.00 0.00 C ATOM 1237 NZ LYS A 81 -5.496 11.947 7.496 1.00 0.00 N ATOM 0 H LYS A 81 -2.137 10.174 3.992 1.00 0.00 H new ATOM 0 HA LYS A 81 -3.595 10.814 1.638 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -5.709 11.324 2.460 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -5.388 9.708 3.057 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -5.284 12.283 4.671 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.518 11.042 4.759 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -4.518 9.441 5.386 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -3.653 10.925 5.735 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.293 10.063 7.001 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.722 10.009 7.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.844 11.954 8.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -4.583 12.444 7.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -6.183 12.427 6.881 1.00 0.00 H new ATOM 1251 N GLY A 82 -3.246 13.306 2.422 1.00 0.00 N ATOM 1252 CA GLY A 82 -2.936 14.651 2.888 1.00 0.00 C ATOM 1253 C GLY A 82 -1.590 14.829 3.602 1.00 0.00 C ATOM 1254 O GLY A 82 -1.524 15.476 4.645 1.00 0.00 O ATOM 0 H GLY A 82 -3.614 13.267 1.472 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.960 15.324 2.031 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.728 14.969 3.566 1.00 0.00 H new ATOM 1258 N GLY A 83 -0.514 14.257 3.060 1.00 0.00 N ATOM 1259 CA GLY A 83 0.827 14.388 3.611 1.00 0.00 C ATOM 1260 C GLY A 83 1.070 13.606 4.903 1.00 0.00 C ATOM 1261 O GLY A 83 2.131 13.777 5.499 1.00 0.00 O ATOM 0 H GLY A 83 -0.554 13.684 2.217 1.00 0.00 H new ATOM 0 HA2 GLY A 83 1.546 14.057 2.862 1.00 0.00 H new ATOM 0 HA3 GLY A 83 1.026 15.443 3.799 1.00 0.00 H new ATOM 1265 N LYS A 84 0.139 12.750 5.343 1.00 0.00 N ATOM 1266 CA LYS A 84 0.277 11.986 6.577 1.00 0.00 C ATOM 1267 C LYS A 84 -0.205 10.550 6.389 1.00 0.00 C ATOM 1268 O LYS A 84 -0.898 10.226 5.423 1.00 0.00 O ATOM 1269 CB LYS A 84 -0.536 12.653 7.700 1.00 0.00 C ATOM 1270 CG LYS A 84 -0.142 14.109 8.008 1.00 0.00 C ATOM 1271 CD LYS A 84 1.283 14.302 8.558 1.00 0.00 C ATOM 1272 CE LYS A 84 1.386 14.192 10.086 1.00 0.00 C ATOM 1273 NZ LYS A 84 1.066 12.844 10.584 1.00 0.00 N ATOM 0 H LYS A 84 -0.734 12.571 4.846 1.00 0.00 H new ATOM 0 HA LYS A 84 1.333 11.967 6.847 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.592 12.627 7.429 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.425 12.062 8.609 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.244 14.697 7.096 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.851 14.515 8.730 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.939 13.558 8.106 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.650 15.281 8.249 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.396 14.459 10.398 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.710 14.914 10.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.464 12.722 11.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.034 12.724 10.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.474 12.132 9.945 1.00 0.00 H new ATOM 1287 N LYS A 85 0.196 9.685 7.324 1.00 0.00 N ATOM 1288 CA LYS A 85 -0.223 8.296 7.374 1.00 0.00 C ATOM 1289 C LYS A 85 -1.490 8.229 8.226 1.00 0.00 C ATOM 1290 O LYS A 85 -1.655 9.026 9.149 1.00 0.00 O ATOM 1291 CB LYS A 85 0.896 7.420 7.956 1.00 0.00 C ATOM 1292 CG LYS A 85 0.720 5.959 7.510 1.00 0.00 C ATOM 1293 CD LYS A 85 1.811 5.035 8.063 1.00 0.00 C ATOM 1294 CE LYS A 85 1.713 4.818 9.578 1.00 0.00 C ATOM 1295 NZ LYS A 85 0.433 4.201 9.964 1.00 0.00 N ATOM 0 H LYS A 85 0.833 9.942 8.078 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.432 7.916 6.374 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.866 7.793 7.628 1.00 0.00 H new ATOM 0 HB3 LYS A 85 0.884 7.479 9.044 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.255 5.599 7.837 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.728 5.913 6.421 1.00 0.00 H new ATOM 0 HD2 LYS A 85 1.749 4.070 7.560 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.788 5.456 7.826 1.00 0.00 H new ATOM 0 HE2 LYS A 85 2.536 4.183 9.908 1.00 0.00 H new ATOM 0 HE3 LYS A 85 1.824 5.774 10.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 0.490 3.871 10.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -0.330 4.902 9.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 0.234 3.394 9.339 1.00 0.00 H new ATOM 1309 N CYS A 86 -2.380 7.291 7.912 1.00 0.00 N ATOM 1310 CA CYS A 86 -3.635 7.081 8.621 1.00 0.00 C ATOM 1311 C CYS A 86 -3.475 5.910 9.587 1.00 0.00 C ATOM 1312 O CYS A 86 -3.599 6.062 10.800 1.00 0.00 O ATOM 1313 CB CYS A 86 -4.745 6.803 7.607 1.00 0.00 C ATOM 1314 SG CYS A 86 -6.321 6.803 8.485 1.00 0.00 S ATOM 0 H CYS A 86 -2.243 6.641 7.138 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.901 7.970 9.192 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -4.745 7.563 6.825 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -4.582 5.843 7.118 1.00 0.00 H new ATOM 0 HG CYS A 86 -6.868 5.627 8.395 1.00 0.00 H new ATOM 1320 N GLU A 87 -3.169 4.735 9.031 1.00 0.00 N ATOM 1321 CA GLU A 87 -2.941 3.483 9.743 1.00 0.00 C ATOM 1322 C GLU A 87 -2.247 2.523 8.762 1.00 0.00 C ATOM 1323 O GLU A 87 -1.774 2.964 7.711 1.00 0.00 O ATOM 1324 CB GLU A 87 -4.251 2.938 10.364 1.00 0.00 C ATOM 1325 CG GLU A 87 -5.572 3.355 9.697 1.00 0.00 C ATOM 1326 CD GLU A 87 -5.638 3.055 8.205 1.00 0.00 C ATOM 1327 OE1 GLU A 87 -4.916 2.130 7.776 1.00 0.00 O ATOM 1328 OE2 GLU A 87 -6.413 3.754 7.518 1.00 0.00 O ATOM 0 H GLU A 87 -3.069 4.630 8.021 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.287 3.622 10.604 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.199 1.849 10.360 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.286 3.251 11.407 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.395 2.844 10.196 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.721 4.424 9.849 1.00 0.00 H new ATOM 1335 N THR A 88 -2.140 1.234 9.099 1.00 0.00 N ATOM 1336 CA THR A 88 -1.489 0.236 8.266 1.00 0.00 C ATOM 1337 C THR A 88 -2.134 -1.133 8.527 1.00 0.00 C ATOM 1338 O THR A 88 -2.975 -1.244 9.420 1.00 0.00 O ATOM 1339 CB THR A 88 0.026 0.271 8.556 1.00 0.00 C ATOM 1340 OG1 THR A 88 0.731 -0.623 7.725 1.00 0.00 O ATOM 1341 CG2 THR A 88 0.353 -0.088 10.010 1.00 0.00 C ATOM 0 H THR A 88 -2.510 0.856 9.971 1.00 0.00 H new ATOM 0 HA THR A 88 -1.619 0.444 7.204 1.00 0.00 H new ATOM 0 HB THR A 88 0.335 1.297 8.359 1.00 0.00 H new ATOM 0 HG1 THR A 88 0.293 -0.670 6.849 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.432 -0.048 10.161 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.133 0.623 10.678 1.00 0.00 H new ATOM 0 HG23 THR A 88 -0.007 -1.094 10.226 1.00 0.00 H new ATOM 1349 N ILE A 89 -1.784 -2.156 7.742 1.00 0.00 N ATOM 1350 CA ILE A 89 -2.264 -3.527 7.871 1.00 0.00 C ATOM 1351 C ILE A 89 -1.096 -4.442 7.500 1.00 0.00 C ATOM 1352 O ILE A 89 -0.339 -4.118 6.588 1.00 0.00 O ATOM 1353 CB ILE A 89 -3.459 -3.813 6.928 1.00 0.00 C ATOM 1354 CG1 ILE A 89 -4.480 -2.663 6.871 1.00 0.00 C ATOM 1355 CG2 ILE A 89 -4.159 -5.095 7.408 1.00 0.00 C ATOM 1356 CD1 ILE A 89 -5.552 -2.861 5.791 1.00 0.00 C ATOM 0 H ILE A 89 -1.130 -2.042 6.967 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.612 -3.697 8.890 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.063 -3.925 5.919 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.965 -2.568 7.842 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.954 -1.727 6.684 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -5.005 -5.314 6.756 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -3.455 -5.926 7.380 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -4.515 -4.955 8.429 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.241 -2.016 5.803 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.075 -2.927 4.813 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -6.103 -3.781 5.989 1.00 0.00 H new ATOM 1368 N ILE A 90 -0.931 -5.571 8.188 1.00 0.00 N ATOM 1369 CA ILE A 90 0.094 -6.547 7.838 1.00 0.00 C ATOM 1370 C ILE A 90 -0.460 -7.356 6.659 1.00 0.00 C ATOM 1371 O ILE A 90 -1.658 -7.630 6.621 1.00 0.00 O ATOM 1372 CB ILE A 90 0.424 -7.433 9.056 1.00 0.00 C ATOM 1373 CG1 ILE A 90 0.899 -6.546 10.225 1.00 0.00 C ATOM 1374 CG2 ILE A 90 1.511 -8.456 8.688 1.00 0.00 C ATOM 1375 CD1 ILE A 90 1.223 -7.336 11.497 1.00 0.00 C ATOM 0 H ILE A 90 -1.498 -5.831 8.995 1.00 0.00 H new ATOM 0 HA ILE A 90 1.031 -6.070 7.550 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.472 -7.975 9.360 1.00 0.00 H new ATOM 0 HG12 ILE A 90 1.785 -5.993 9.914 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.127 -5.810 10.450 1.00 0.00 H new ATOM 0 HG21 ILE A 90 1.736 -9.076 9.556 1.00 0.00 H new ATOM 0 HG22 ILE A 90 1.156 -9.087 7.873 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.413 -7.931 8.374 1.00 0.00 H new ATOM 0 HD11 ILE A 90 1.551 -6.650 12.278 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.332 -7.868 11.832 1.00 0.00 H new ATOM 0 HD13 ILE A 90 2.017 -8.053 11.288 1.00 0.00 H new ATOM 1387 N GLY A 91 0.382 -7.695 5.677 1.00 0.00 N ATOM 1388 CA GLY A 91 -0.055 -8.481 4.529 1.00 0.00 C ATOM 1389 C GLY A 91 -0.119 -9.973 4.872 1.00 0.00 C ATOM 1390 O GLY A 91 -0.432 -10.333 6.003 1.00 0.00 O ATOM 0 H GLY A 91 1.368 -7.435 5.658 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.037 -8.138 4.202 1.00 0.00 H new ATOM 0 HA3 GLY A 91 0.631 -8.326 3.696 1.00 0.00 H new ATOM 1394 N ALA A 92 0.192 -10.851 3.906 1.00 0.00 N ATOM 1395 CA ALA A 92 0.079 -12.298 4.076 1.00 0.00 C ATOM 1396 C ALA A 92 -1.330 -12.695 4.554 1.00 0.00 C ATOM 1397 O ALA A 92 -1.468 -13.604 5.369 1.00 0.00 O ATOM 1398 CB ALA A 92 1.156 -12.789 5.056 1.00 0.00 C ATOM 0 H ALA A 92 0.529 -10.571 2.985 1.00 0.00 H new ATOM 0 HA ALA A 92 0.238 -12.777 3.110 1.00 0.00 H new ATOM 0 HB1 ALA A 92 1.069 -13.868 5.181 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.143 -12.547 4.663 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.020 -12.300 6.021 1.00 0.00 H new ATOM 1404 N VAL A 93 -2.375 -12.031 4.039 1.00 0.00 N ATOM 1405 CA VAL A 93 -3.766 -12.262 4.426 1.00 0.00 C ATOM 1406 C VAL A 93 -4.635 -12.622 3.228 1.00 0.00 C ATOM 1407 O VAL A 93 -4.328 -12.210 2.110 1.00 0.00 O ATOM 1408 CB VAL A 93 -4.425 -10.984 4.990 1.00 0.00 C ATOM 1409 CG1 VAL A 93 -4.740 -11.101 6.467 1.00 0.00 C ATOM 1410 CG2 VAL A 93 -3.681 -9.678 4.713 1.00 0.00 C ATOM 0 H VAL A 93 -2.270 -11.306 3.329 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.717 -13.065 5.161 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.355 -10.918 4.425 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -5.202 -10.177 6.815 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -5.426 -11.932 6.628 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -3.819 -11.278 7.023 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -4.231 -8.846 5.153 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.684 -9.727 5.152 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.597 -9.529 3.637 1.00 0.00 H new ATOM 1420 N PRO A 94 -5.775 -13.293 3.467 1.00 0.00 N ATOM 1421 CA PRO A 94 -6.817 -13.377 2.477 1.00 0.00 C ATOM 1422 C PRO A 94 -7.418 -11.979 2.391 1.00 0.00 C ATOM 1423 O PRO A 94 -7.640 -11.326 3.415 1.00 0.00 O ATOM 1424 CB PRO A 94 -7.867 -14.359 2.993 1.00 0.00 C ATOM 1425 CG PRO A 94 -7.150 -15.083 4.137 1.00 0.00 C ATOM 1426 CD PRO A 94 -6.181 -14.017 4.654 1.00 0.00 C ATOM 0 HA PRO A 94 -6.457 -13.711 1.504 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -8.761 -13.843 3.343 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -8.184 -15.053 2.215 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -7.846 -15.407 4.911 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -6.625 -15.972 3.788 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.664 -13.358 5.376 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.325 -14.468 5.156 1.00 0.00 H new ATOM 1434 N LYS A 95 -7.736 -11.535 1.184 1.00 0.00 N ATOM 1435 CA LYS A 95 -8.259 -10.203 0.960 1.00 0.00 C ATOM 1436 C LYS A 95 -9.541 -9.957 1.751 1.00 0.00 C ATOM 1437 O LYS A 95 -9.838 -8.807 2.056 1.00 0.00 O ATOM 1438 CB LYS A 95 -8.462 -10.012 -0.557 1.00 0.00 C ATOM 1439 CG LYS A 95 -9.598 -9.066 -0.975 1.00 0.00 C ATOM 1440 CD LYS A 95 -9.729 -9.023 -2.503 1.00 0.00 C ATOM 1441 CE LYS A 95 -10.995 -8.269 -2.921 1.00 0.00 C ATOM 1442 NZ LYS A 95 -11.159 -8.280 -4.384 1.00 0.00 N ATOM 0 H LYS A 95 -7.637 -12.091 0.335 1.00 0.00 H new ATOM 0 HA LYS A 95 -7.546 -9.462 1.323 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -7.531 -9.639 -0.983 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.648 -10.989 -1.004 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -10.537 -9.399 -0.533 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -9.403 -8.064 -0.593 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -8.853 -8.538 -2.934 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -9.758 -10.038 -2.898 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.866 -8.726 -2.451 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -10.943 -7.240 -2.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.095 -7.899 -4.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -10.420 -7.693 -4.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -11.079 -9.256 -4.735 1.00 0.00 H new ATOM 1456 N ALA A 96 -10.300 -11.000 2.102 1.00 0.00 N ATOM 1457 CA ALA A 96 -11.492 -10.829 2.933 1.00 0.00 C ATOM 1458 C ALA A 96 -11.158 -9.958 4.155 1.00 0.00 C ATOM 1459 O ALA A 96 -11.891 -9.030 4.506 1.00 0.00 O ATOM 1460 CB ALA A 96 -12.011 -12.201 3.369 1.00 0.00 C ATOM 0 H ALA A 96 -10.111 -11.963 1.825 1.00 0.00 H new ATOM 0 HA ALA A 96 -12.270 -10.327 2.358 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -12.899 -12.074 3.988 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -12.264 -12.791 2.488 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -11.240 -12.716 3.942 1.00 0.00 H new ATOM 1466 N THR A 97 -10.019 -10.249 4.787 1.00 0.00 N ATOM 1467 CA THR A 97 -9.505 -9.519 5.934 1.00 0.00 C ATOM 1468 C THR A 97 -9.267 -8.059 5.546 1.00 0.00 C ATOM 1469 O THR A 97 -9.725 -7.146 6.232 1.00 0.00 O ATOM 1470 CB THR A 97 -8.202 -10.184 6.409 1.00 0.00 C ATOM 1471 OG1 THR A 97 -8.215 -11.557 6.080 1.00 0.00 O ATOM 1472 CG2 THR A 97 -8.033 -10.056 7.923 1.00 0.00 C ATOM 0 H THR A 97 -9.417 -11.021 4.502 1.00 0.00 H new ATOM 0 HA THR A 97 -10.227 -9.541 6.750 1.00 0.00 H new ATOM 0 HB THR A 97 -7.375 -9.678 5.912 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.884 -11.677 5.166 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.103 -10.536 8.227 1.00 0.00 H new ATOM 0 HG22 THR A 97 -8.004 -9.002 8.198 1.00 0.00 H new ATOM 0 HG23 THR A 97 -8.871 -10.539 8.425 1.00 0.00 H new ATOM 1480 N ILE A 98 -8.554 -7.855 4.433 1.00 0.00 N ATOM 1481 CA ILE A 98 -8.216 -6.538 3.917 1.00 0.00 C ATOM 1482 C ILE A 98 -9.492 -5.722 3.705 1.00 0.00 C ATOM 1483 O ILE A 98 -9.577 -4.611 4.212 1.00 0.00 O ATOM 1484 CB ILE A 98 -7.387 -6.662 2.619 1.00 0.00 C ATOM 1485 CG1 ILE A 98 -6.021 -7.332 2.854 1.00 0.00 C ATOM 1486 CG2 ILE A 98 -7.181 -5.270 1.999 1.00 0.00 C ATOM 1487 CD1 ILE A 98 -5.079 -6.546 3.773 1.00 0.00 C ATOM 0 H ILE A 98 -8.193 -8.618 3.861 1.00 0.00 H new ATOM 0 HA ILE A 98 -7.598 -6.011 4.644 1.00 0.00 H new ATOM 0 HB ILE A 98 -7.949 -7.299 1.936 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -6.184 -8.321 3.282 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -5.531 -7.478 1.891 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -6.596 -5.362 1.084 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.150 -4.828 1.767 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -6.651 -4.632 2.706 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -4.141 -7.090 3.884 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -4.881 -5.566 3.339 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -5.544 -6.422 4.751 1.00 0.00 H new ATOM 1499 N VAL A 99 -10.480 -6.255 2.983 1.00 0.00 N ATOM 1500 CA VAL A 99 -11.732 -5.561 2.703 1.00 0.00 C ATOM 1501 C VAL A 99 -12.364 -5.086 4.010 1.00 0.00 C ATOM 1502 O VAL A 99 -12.575 -3.888 4.186 1.00 0.00 O ATOM 1503 CB VAL A 99 -12.684 -6.482 1.919 1.00 0.00 C ATOM 1504 CG1 VAL A 99 -14.084 -5.869 1.772 1.00 0.00 C ATOM 1505 CG2 VAL A 99 -12.134 -6.737 0.511 1.00 0.00 C ATOM 0 H VAL A 99 -10.430 -7.188 2.574 1.00 0.00 H new ATOM 0 HA VAL A 99 -11.532 -4.685 2.085 1.00 0.00 H new ATOM 0 HB VAL A 99 -12.757 -7.412 2.484 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -14.723 -6.552 1.213 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -14.512 -5.698 2.760 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -14.012 -4.921 1.239 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -12.816 -7.390 -0.033 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -12.038 -5.789 -0.019 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -11.156 -7.213 0.583 1.00 0.00 H new ATOM 1515 N GLN A 100 -12.657 -6.012 4.931 1.00 0.00 N ATOM 1516 CA GLN A 100 -13.269 -5.648 6.205 1.00 0.00 C ATOM 1517 C GLN A 100 -12.456 -4.545 6.878 1.00 0.00 C ATOM 1518 O GLN A 100 -13.003 -3.509 7.241 1.00 0.00 O ATOM 1519 CB GLN A 100 -13.326 -6.857 7.134 1.00 0.00 C ATOM 1520 CG GLN A 100 -14.314 -7.933 6.671 1.00 0.00 C ATOM 1521 CD GLN A 100 -13.970 -9.222 7.395 1.00 0.00 C ATOM 1522 OE1 GLN A 100 -14.675 -9.672 8.290 1.00 0.00 O ATOM 1523 NE2 GLN A 100 -12.818 -9.774 7.039 1.00 0.00 N ATOM 0 H GLN A 100 -12.480 -7.010 4.815 1.00 0.00 H new ATOM 0 HA GLN A 100 -14.281 -5.295 6.009 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -12.331 -7.296 7.209 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -13.604 -6.525 8.134 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -15.338 -7.632 6.893 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -14.249 -8.072 5.592 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -12.266 -9.362 6.287 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -12.484 -10.611 7.517 1.00 0.00 H new ATOM 1532 N THR A 101 -11.151 -4.774 7.033 1.00 0.00 N ATOM 1533 CA THR A 101 -10.260 -3.799 7.662 1.00 0.00 C ATOM 1534 C THR A 101 -10.363 -2.416 6.987 1.00 0.00 C ATOM 1535 O THR A 101 -10.491 -1.397 7.669 1.00 0.00 O ATOM 1536 CB THR A 101 -8.821 -4.336 7.647 1.00 0.00 C ATOM 1537 OG1 THR A 101 -8.778 -5.597 8.282 1.00 0.00 O ATOM 1538 CG2 THR A 101 -7.877 -3.403 8.405 1.00 0.00 C ATOM 0 H THR A 101 -10.687 -5.630 6.730 1.00 0.00 H new ATOM 0 HA THR A 101 -10.568 -3.658 8.698 1.00 0.00 H new ATOM 0 HB THR A 101 -8.506 -4.409 6.606 1.00 0.00 H new ATOM 0 HG1 THR A 101 -9.113 -6.284 7.668 1.00 0.00 H new ATOM 0 HG21 THR A 101 -6.866 -3.808 8.378 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.886 -2.418 7.938 1.00 0.00 H new ATOM 0 HG23 THR A 101 -8.205 -3.316 9.441 1.00 0.00 H new ATOM 1546 N VAL A 102 -10.312 -2.369 5.652 1.00 0.00 N ATOM 1547 CA VAL A 102 -10.411 -1.133 4.885 1.00 0.00 C ATOM 1548 C VAL A 102 -11.733 -0.447 5.205 1.00 0.00 C ATOM 1549 O VAL A 102 -11.745 0.739 5.523 1.00 0.00 O ATOM 1550 CB VAL A 102 -10.250 -1.421 3.379 1.00 0.00 C ATOM 1551 CG1 VAL A 102 -10.697 -0.243 2.500 1.00 0.00 C ATOM 1552 CG2 VAL A 102 -8.779 -1.714 3.061 1.00 0.00 C ATOM 0 H VAL A 102 -10.199 -3.200 5.071 1.00 0.00 H new ATOM 0 HA VAL A 102 -9.604 -0.455 5.164 1.00 0.00 H new ATOM 0 HB VAL A 102 -10.885 -2.279 3.157 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -10.562 -0.501 1.450 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -11.749 -0.027 2.688 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -10.098 0.636 2.738 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -8.671 -1.917 1.996 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -8.170 -0.851 3.330 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.450 -2.583 3.631 1.00 0.00 H new ATOM 1562 N GLU A 103 -12.840 -1.184 5.137 1.00 0.00 N ATOM 1563 CA GLU A 103 -14.153 -0.645 5.446 1.00 0.00 C ATOM 1564 C GLU A 103 -14.172 -0.083 6.872 1.00 0.00 C ATOM 1565 O GLU A 103 -14.669 1.015 7.100 1.00 0.00 O ATOM 1566 CB GLU A 103 -15.207 -1.739 5.246 1.00 0.00 C ATOM 1567 CG GLU A 103 -15.343 -2.166 3.775 1.00 0.00 C ATOM 1568 CD GLU A 103 -15.803 -1.029 2.869 1.00 0.00 C ATOM 1569 OE1 GLU A 103 -16.924 -0.530 3.104 1.00 0.00 O ATOM 1570 OE2 GLU A 103 -15.023 -0.687 1.953 1.00 0.00 O ATOM 0 H GLU A 103 -12.847 -2.168 4.867 1.00 0.00 H new ATOM 0 HA GLU A 103 -14.387 0.179 4.772 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -14.943 -2.607 5.850 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -16.171 -1.380 5.607 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -14.383 -2.541 3.420 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -16.053 -2.990 3.705 1.00 0.00 H new ATOM 1577 N LYS A 104 -13.610 -0.832 7.823 1.00 0.00 N ATOM 1578 CA LYS A 104 -13.488 -0.424 9.220 1.00 0.00 C ATOM 1579 C LYS A 104 -12.817 0.950 9.290 1.00 0.00 C ATOM 1580 O LYS A 104 -13.328 1.853 9.947 1.00 0.00 O ATOM 1581 CB LYS A 104 -12.745 -1.522 10.020 1.00 0.00 C ATOM 1582 CG LYS A 104 -11.554 -1.143 10.919 1.00 0.00 C ATOM 1583 CD LYS A 104 -11.919 -0.217 12.092 1.00 0.00 C ATOM 1584 CE LYS A 104 -10.875 -0.266 13.214 1.00 0.00 C ATOM 1585 NZ LYS A 104 -10.869 -1.561 13.918 1.00 0.00 N ATOM 0 H LYS A 104 -13.220 -1.756 7.638 1.00 0.00 H new ATOM 0 HA LYS A 104 -14.469 -0.317 9.683 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -13.482 -2.020 10.650 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -12.388 -2.261 9.303 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -11.108 -2.055 11.316 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -10.793 -0.656 10.309 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -12.013 0.807 11.729 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -12.892 -0.504 12.490 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -9.886 -0.078 12.795 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -11.075 0.532 13.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -10.388 -1.456 14.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -11.848 -1.876 14.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -10.366 -2.267 13.343 1.00 0.00 H new ATOM 1599 N TYR A 105 -11.668 1.111 8.630 1.00 0.00 N ATOM 1600 CA TYR A 105 -10.951 2.378 8.662 1.00 0.00 C ATOM 1601 C TYR A 105 -11.721 3.481 7.928 1.00 0.00 C ATOM 1602 O TYR A 105 -11.814 4.604 8.417 1.00 0.00 O ATOM 1603 CB TYR A 105 -9.560 2.203 8.047 1.00 0.00 C ATOM 1604 CG TYR A 105 -8.643 1.174 8.686 1.00 0.00 C ATOM 1605 CD1 TYR A 105 -8.612 0.990 10.083 1.00 0.00 C ATOM 1606 CD2 TYR A 105 -7.660 0.559 7.890 1.00 0.00 C ATOM 1607 CE1 TYR A 105 -7.606 0.204 10.672 1.00 0.00 C ATOM 1608 CE2 TYR A 105 -6.610 -0.155 8.490 1.00 0.00 C ATOM 1609 CZ TYR A 105 -6.572 -0.325 9.882 1.00 0.00 C ATOM 1610 OH TYR A 105 -5.516 -0.947 10.483 1.00 0.00 O ATOM 0 H TYR A 105 -11.221 0.383 8.072 1.00 0.00 H new ATOM 0 HA TYR A 105 -10.851 2.683 9.704 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -9.686 1.938 6.997 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -9.055 3.169 8.074 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -9.364 1.455 10.704 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -7.713 0.636 6.814 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -7.628 0.007 11.734 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -5.827 -0.576 7.876 1.00 0.00 H new ATOM 0 HH TYR A 105 -4.731 -0.898 9.898 1.00 0.00 H new ATOM 1620 N LEU A 106 -12.249 3.183 6.741 1.00 0.00 N ATOM 1621 CA LEU A 106 -12.983 4.135 5.925 1.00 0.00 C ATOM 1622 C LEU A 106 -14.433 4.164 6.368 1.00 0.00 C ATOM 1623 O LEU A 106 -15.355 3.723 5.683 1.00 0.00 O ATOM 1624 CB LEU A 106 -12.841 3.792 4.453 1.00 0.00 C ATOM 1625 CG LEU A 106 -11.376 3.837 3.999 1.00 0.00 C ATOM 1626 CD1 LEU A 106 -11.443 3.902 2.485 1.00 0.00 C ATOM 1627 CD2 LEU A 106 -10.573 5.046 4.500 1.00 0.00 C ATOM 0 H LEU A 106 -12.175 2.258 6.318 1.00 0.00 H new ATOM 0 HA LEU A 106 -12.569 5.134 6.059 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -13.248 2.798 4.270 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -13.428 4.492 3.858 1.00 0.00 H new ATOM 0 HG LEU A 106 -10.860 2.968 4.407 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -10.433 3.937 2.077 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -11.957 3.019 2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -11.987 4.797 2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -9.551 4.985 4.125 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -11.037 5.965 4.141 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -10.560 5.048 5.590 1.00 0.00 H new ATOM 1639 N ASN A 107 -14.567 4.745 7.544 1.00 0.00 N ATOM 1640 CA ASN A 107 -15.793 4.979 8.288 1.00 0.00 C ATOM 1641 C ASN A 107 -15.682 6.362 8.934 1.00 0.00 C ATOM 1642 O ASN A 107 -14.538 6.863 9.010 1.00 0.00 O ATOM 1643 CB ASN A 107 -15.963 3.870 9.339 1.00 0.00 C ATOM 1644 CG ASN A 107 -17.392 3.699 9.858 1.00 0.00 C ATOM 1645 OD1 ASN A 107 -17.863 2.576 10.014 1.00 0.00 O ATOM 1646 ND2 ASN A 107 -18.113 4.776 10.146 1.00 0.00 N ATOM 1647 OXT ASN A 107 -16.737 6.892 9.345 1.00 0.00 O ATOM 0 H ASN A 107 -13.752 5.096 8.048 1.00 0.00 H new ATOM 0 HA ASN A 107 -16.670 4.956 7.642 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -15.631 2.925 8.908 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -15.307 4.083 10.183 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -19.064 4.673 10.499 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -17.716 5.706 10.014 1.00 0.00 H new TER 1654 ASN A 107