USER MOD reduce.3.24.130724 H: found=0, std=0, add=883, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 883 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 Set 1.1: A 43 THR OG1 : rot 180:sc= 0.658 USER MOD Set 1.2: A 46 THR OG1 : rot 95:sc= 0.705 USER MOD Set 2.1: A 26 TYR OH : rot -119:sc= 1.27 USER MOD Set 2.2: A 35 SER OG : rot 78:sc= 1.24 USER MOD Single : A 1 MET CE :methyl -162:sc= -0.0798 (180deg=-0.555) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00317) USER MOD Single : A 4 ASN : amide:sc= -0.304 K(o=-0.3,f=-0.94) USER MOD Single : A 5 THR OG1 : rot -49:sc= 0.814 USER MOD Single : A 8 SER OG : rot -163:sc= 1.14 USER MOD Single : A 13 GLN : amide:sc= -0.096 X(o=-0.096,f=0) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot -124:sc= 0.145 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0.00421 USER MOD Single : A 29 GLN : amide:sc=-0.00675 K(o=-0.0067,f=-0.85) USER MOD Single : A 32 THR OG1 : rot -170:sc= -0.671 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot -5:sc= 0.00152 USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 54 HIS : no HD1:sc= -0.163 X(o=-0.16,f=-0.64) USER MOD Single : A 58 THR OG1 : rot 74:sc= 0.307 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0432 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 1.22 K(o=1.2,f=-2.3!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 162:sc= 1.12 (180deg=0.754) USER MOD Single : A 108 LYS NZ :NH3+ 167:sc= -0.0276 (180deg=-0.217) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.510 -15.749 27.251 1.00 0.00 N ATOM 2 CA MET A 1 4.559 -14.619 27.337 1.00 0.00 C ATOM 3 C MET A 1 5.221 -13.330 26.873 1.00 0.00 C ATOM 4 O MET A 1 6.130 -12.824 27.533 1.00 0.00 O ATOM 5 CB MET A 1 4.061 -14.451 28.776 1.00 0.00 C ATOM 6 CG MET A 1 3.056 -13.321 28.951 1.00 0.00 C ATOM 7 SD MET A 1 2.574 -13.071 30.672 1.00 0.00 S ATOM 8 CE MET A 1 1.865 -14.669 31.064 1.00 0.00 C ATOM 0 H1 MET A 1 5.043 -16.621 27.571 1.00 0.00 H new ATOM 0 H2 MET A 1 5.823 -15.865 26.266 1.00 0.00 H new ATOM 0 H3 MET A 1 6.334 -15.556 27.855 1.00 0.00 H new ATOM 0 HA MET A 1 3.711 -14.836 26.688 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.604 -15.385 29.104 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.916 -14.268 29.427 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.484 -12.397 28.561 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.167 -13.537 28.358 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.245 -14.583 31.957 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.253 -15.010 30.229 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.665 -15.387 31.245 1.00 0.00 H new ATOM 20 N THR A 2 4.786 -12.829 25.718 1.00 0.00 N ATOM 21 CA THR A 2 5.237 -11.539 25.190 1.00 0.00 C ATOM 22 C THR A 2 6.651 -11.622 24.601 1.00 0.00 C ATOM 23 O THR A 2 6.905 -11.116 23.506 1.00 0.00 O ATOM 24 CB THR A 2 5.177 -10.437 26.274 1.00 0.00 C ATOM 25 OG1 THR A 2 3.881 -10.437 26.891 1.00 0.00 O ATOM 26 CG2 THR A 2 5.455 -9.063 25.678 1.00 0.00 C ATOM 0 H THR A 2 4.110 -13.305 25.120 1.00 0.00 H new ATOM 0 HA THR A 2 4.552 -11.274 24.384 1.00 0.00 H new ATOM 0 HB THR A 2 5.944 -10.650 27.019 1.00 0.00 H new ATOM 0 HG1 THR A 2 3.846 -9.739 27.578 1.00 0.00 H new ATOM 0 HG21 THR A 2 5.406 -8.309 26.464 1.00 0.00 H new ATOM 0 HG22 THR A 2 6.448 -9.055 25.229 1.00 0.00 H new ATOM 0 HG23 THR A 2 4.710 -8.840 24.914 1.00 0.00 H new ATOM 34 N LYS A 3 7.565 -12.260 25.321 1.00 0.00 N ATOM 35 CA LYS A 3 8.926 -12.429 24.844 1.00 0.00 C ATOM 36 C LYS A 3 8.999 -13.642 23.926 1.00 0.00 C ATOM 37 O LYS A 3 9.361 -14.743 24.351 1.00 0.00 O ATOM 38 CB LYS A 3 9.896 -12.584 26.020 1.00 0.00 C ATOM 39 CG LYS A 3 11.360 -12.391 25.648 1.00 0.00 C ATOM 40 CD LYS A 3 11.619 -10.976 25.161 1.00 0.00 C ATOM 41 CE LYS A 3 13.103 -10.691 24.991 1.00 0.00 C ATOM 42 NZ LYS A 3 13.739 -11.567 23.973 1.00 0.00 N ATOM 0 H LYS A 3 7.385 -12.668 26.238 1.00 0.00 H new ATOM 0 HA LYS A 3 9.217 -11.541 24.283 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.631 -11.863 26.793 1.00 0.00 H new ATOM 0 HB3 LYS A 3 9.770 -13.576 26.453 1.00 0.00 H new ATOM 0 HG2 LYS A 3 11.989 -12.602 26.513 1.00 0.00 H new ATOM 0 HG3 LYS A 3 11.638 -13.103 24.871 1.00 0.00 H new ATOM 0 HD2 LYS A 3 11.110 -10.822 24.210 1.00 0.00 H new ATOM 0 HD3 LYS A 3 11.193 -10.266 25.870 1.00 0.00 H new ATOM 0 HE2 LYS A 3 13.239 -9.648 24.704 1.00 0.00 H new ATOM 0 HE3 LYS A 3 13.607 -10.826 25.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 14.746 -11.321 23.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 13.650 -12.561 24.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 13.267 -11.433 23.056 1.00 0.00 H new ATOM 56 N ASN A 4 8.614 -13.437 22.674 1.00 0.00 N ATOM 57 CA ASN A 4 8.594 -14.504 21.683 1.00 0.00 C ATOM 58 C ASN A 4 10.016 -14.952 21.353 1.00 0.00 C ATOM 59 O ASN A 4 10.958 -14.165 21.437 1.00 0.00 O ATOM 60 CB ASN A 4 7.846 -14.042 20.422 1.00 0.00 C ATOM 61 CG ASN A 4 8.529 -12.894 19.704 1.00 0.00 C ATOM 62 OD1 ASN A 4 8.466 -11.743 20.144 1.00 0.00 O ATOM 63 ND2 ASN A 4 9.136 -13.184 18.566 1.00 0.00 N ATOM 0 H ASN A 4 8.308 -12.531 22.318 1.00 0.00 H new ATOM 0 HA ASN A 4 8.063 -15.362 22.096 1.00 0.00 H new ATOM 0 HB2 ASN A 4 7.750 -14.884 19.736 1.00 0.00 H new ATOM 0 HB3 ASN A 4 6.836 -13.739 20.698 1.00 0.00 H new ATOM 0 HD21 ASN A 4 9.574 -12.443 18.018 1.00 0.00 H new ATOM 0 HD22 ASN A 4 9.167 -14.149 18.236 1.00 0.00 H new ATOM 70 N THR A 5 10.160 -16.214 20.964 1.00 0.00 N ATOM 71 CA THR A 5 11.475 -16.838 20.811 1.00 0.00 C ATOM 72 C THR A 5 12.104 -16.526 19.442 1.00 0.00 C ATOM 73 O THR A 5 12.766 -17.371 18.834 1.00 0.00 O ATOM 74 CB THR A 5 11.369 -18.373 21.023 1.00 0.00 C ATOM 75 OG1 THR A 5 12.665 -18.984 20.949 1.00 0.00 O ATOM 76 CG2 THR A 5 10.440 -19.012 19.996 1.00 0.00 C ATOM 0 H THR A 5 9.378 -16.831 20.747 1.00 0.00 H new ATOM 0 HA THR A 5 12.130 -16.416 21.573 1.00 0.00 H new ATOM 0 HB THR A 5 10.951 -18.538 22.016 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.126 -18.676 20.141 1.00 0.00 H new ATOM 0 HG21 THR A 5 10.387 -20.086 20.172 1.00 0.00 H new ATOM 0 HG22 THR A 5 9.443 -18.580 20.088 1.00 0.00 H new ATOM 0 HG23 THR A 5 10.824 -18.827 18.993 1.00 0.00 H new ATOM 84 N ARG A 6 11.928 -15.296 18.984 1.00 0.00 N ATOM 85 CA ARG A 6 12.479 -14.854 17.711 1.00 0.00 C ATOM 86 C ARG A 6 12.546 -13.333 17.706 1.00 0.00 C ATOM 87 O ARG A 6 11.863 -12.684 18.497 1.00 0.00 O ATOM 88 CB ARG A 6 11.604 -15.354 16.555 1.00 0.00 C ATOM 89 CG ARG A 6 12.217 -15.147 15.178 1.00 0.00 C ATOM 90 CD ARG A 6 11.276 -15.606 14.075 1.00 0.00 C ATOM 91 NE ARG A 6 11.890 -15.507 12.752 1.00 0.00 N ATOM 92 CZ ARG A 6 11.206 -15.355 11.620 1.00 0.00 C ATOM 93 NH1 ARG A 6 9.884 -15.272 11.640 1.00 0.00 N ATOM 94 NH2 ARG A 6 11.845 -15.284 10.460 1.00 0.00 N ATOM 0 H ARG A 6 11.401 -14.578 19.482 1.00 0.00 H new ATOM 0 HA ARG A 6 13.481 -15.263 17.581 1.00 0.00 H new ATOM 0 HB2 ARG A 6 11.406 -16.416 16.697 1.00 0.00 H new ATOM 0 HB3 ARG A 6 10.642 -14.842 16.594 1.00 0.00 H new ATOM 0 HG2 ARG A 6 12.455 -14.092 15.039 1.00 0.00 H new ATOM 0 HG3 ARG A 6 13.155 -15.697 15.110 1.00 0.00 H new ATOM 0 HD2 ARG A 6 10.978 -16.638 14.260 1.00 0.00 H new ATOM 0 HD3 ARG A 6 10.368 -15.003 14.099 1.00 0.00 H new ATOM 0 HE ARG A 6 12.907 -15.558 12.692 1.00 0.00 H new ATOM 0 HH11 ARG A 6 9.383 -15.324 12.527 1.00 0.00 H new ATOM 0 HH12 ARG A 6 9.367 -15.156 10.768 1.00 0.00 H new ATOM 0 HH21 ARG A 6 12.863 -15.346 10.434 1.00 0.00 H new ATOM 0 HH22 ARG A 6 11.319 -15.168 9.594 1.00 0.00 H new ATOM 108 N PHE A 7 13.375 -12.757 16.845 1.00 0.00 N ATOM 109 CA PHE A 7 13.429 -11.311 16.729 1.00 0.00 C ATOM 110 C PHE A 7 12.144 -10.804 16.081 1.00 0.00 C ATOM 111 O PHE A 7 11.658 -11.378 15.106 1.00 0.00 O ATOM 112 CB PHE A 7 14.671 -10.854 15.942 1.00 0.00 C ATOM 113 CG PHE A 7 14.704 -11.276 14.497 1.00 0.00 C ATOM 114 CD1 PHE A 7 15.157 -12.534 14.133 1.00 0.00 C ATOM 115 CD2 PHE A 7 14.290 -10.404 13.501 1.00 0.00 C ATOM 116 CE1 PHE A 7 15.194 -12.914 12.806 1.00 0.00 C ATOM 117 CE2 PHE A 7 14.324 -10.779 12.171 1.00 0.00 C ATOM 118 CZ PHE A 7 14.778 -12.036 11.825 1.00 0.00 C ATOM 0 H PHE A 7 14.009 -13.262 16.226 1.00 0.00 H new ATOM 0 HA PHE A 7 13.514 -10.883 17.728 1.00 0.00 H new ATOM 0 HB2 PHE A 7 14.731 -9.767 15.988 1.00 0.00 H new ATOM 0 HB3 PHE A 7 15.560 -11.244 16.438 1.00 0.00 H new ATOM 0 HD1 PHE A 7 15.485 -13.225 14.896 1.00 0.00 H new ATOM 0 HD2 PHE A 7 13.936 -9.419 13.768 1.00 0.00 H new ATOM 0 HE1 PHE A 7 15.548 -13.898 12.536 1.00 0.00 H new ATOM 0 HE2 PHE A 7 13.997 -10.091 11.405 1.00 0.00 H new ATOM 0 HZ PHE A 7 14.808 -12.333 10.787 1.00 0.00 H new ATOM 128 N SER A 8 11.576 -9.756 16.654 1.00 0.00 N ATOM 129 CA SER A 8 10.332 -9.193 16.158 1.00 0.00 C ATOM 130 C SER A 8 10.566 -8.464 14.837 1.00 0.00 C ATOM 131 O SER A 8 11.643 -7.908 14.612 1.00 0.00 O ATOM 132 CB SER A 8 9.743 -8.242 17.206 1.00 0.00 C ATOM 133 OG SER A 8 8.536 -7.651 16.759 1.00 0.00 O ATOM 0 H SER A 8 11.960 -9.276 17.468 1.00 0.00 H new ATOM 0 HA SER A 8 9.622 -10.000 15.976 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.560 -8.789 18.131 1.00 0.00 H new ATOM 0 HB3 SER A 8 10.467 -7.461 17.436 1.00 0.00 H new ATOM 0 HG SER A 8 8.330 -6.869 17.312 1.00 0.00 H new ATOM 139 N PRO A 9 9.573 -8.471 13.932 1.00 0.00 N ATOM 140 CA PRO A 9 9.671 -7.775 12.646 1.00 0.00 C ATOM 141 C PRO A 9 9.936 -6.278 12.806 1.00 0.00 C ATOM 142 O PRO A 9 10.496 -5.639 11.912 1.00 0.00 O ATOM 143 CB PRO A 9 8.300 -8.003 12.003 1.00 0.00 C ATOM 144 CG PRO A 9 7.758 -9.217 12.673 1.00 0.00 C ATOM 145 CD PRO A 9 8.289 -9.183 14.077 1.00 0.00 C ATOM 0 HA PRO A 9 10.504 -8.151 12.052 1.00 0.00 H new ATOM 0 HB2 PRO A 9 7.646 -7.144 12.153 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.389 -8.152 10.927 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.668 -9.213 12.667 1.00 0.00 H new ATOM 0 HG3 PRO A 9 8.076 -10.123 12.157 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.612 -8.659 14.752 1.00 0.00 H new ATOM 0 HD3 PRO A 9 8.428 -10.186 14.480 1.00 0.00 H new ATOM 153 N GLU A 10 9.547 -5.724 13.950 1.00 0.00 N ATOM 154 CA GLU A 10 9.712 -4.298 14.190 1.00 0.00 C ATOM 155 C GLU A 10 11.142 -3.992 14.643 1.00 0.00 C ATOM 156 O GLU A 10 11.579 -2.838 14.619 1.00 0.00 O ATOM 157 CB GLU A 10 8.652 -3.781 15.193 1.00 0.00 C ATOM 158 CG GLU A 10 9.157 -3.429 16.591 1.00 0.00 C ATOM 159 CD GLU A 10 9.445 -4.633 17.463 1.00 0.00 C ATOM 160 OE1 GLU A 10 8.483 -5.298 17.909 1.00 0.00 O ATOM 161 OE2 GLU A 10 10.633 -4.905 17.722 1.00 0.00 O ATOM 0 H GLU A 10 9.118 -6.238 14.720 1.00 0.00 H new ATOM 0 HA GLU A 10 9.549 -3.763 13.255 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.181 -2.895 14.767 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.875 -4.539 15.291 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.066 -2.834 16.499 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.415 -2.803 17.087 1.00 0.00 H new ATOM 168 N VAL A 11 11.880 -5.038 15.013 1.00 0.00 N ATOM 169 CA VAL A 11 13.273 -4.891 15.417 1.00 0.00 C ATOM 170 C VAL A 11 14.123 -4.403 14.253 1.00 0.00 C ATOM 171 O VAL A 11 14.962 -3.527 14.423 1.00 0.00 O ATOM 172 CB VAL A 11 13.868 -6.215 15.948 1.00 0.00 C ATOM 173 CG1 VAL A 11 15.356 -6.070 16.235 1.00 0.00 C ATOM 174 CG2 VAL A 11 13.142 -6.665 17.202 1.00 0.00 C ATOM 0 H VAL A 11 11.533 -5.997 15.040 1.00 0.00 H new ATOM 0 HA VAL A 11 13.287 -4.157 16.222 1.00 0.00 H new ATOM 0 HB VAL A 11 13.737 -6.971 15.174 1.00 0.00 H new ATOM 0 HG11 VAL A 11 15.749 -7.016 16.607 1.00 0.00 H new ATOM 0 HG12 VAL A 11 15.878 -5.796 15.318 1.00 0.00 H new ATOM 0 HG13 VAL A 11 15.508 -5.294 16.985 1.00 0.00 H new ATOM 0 HG21 VAL A 11 13.577 -7.599 17.559 1.00 0.00 H new ATOM 0 HG22 VAL A 11 13.240 -5.901 17.973 1.00 0.00 H new ATOM 0 HG23 VAL A 11 12.087 -6.819 16.976 1.00 0.00 H new ATOM 184 N ARG A 12 13.888 -4.969 13.070 1.00 0.00 N ATOM 185 CA ARG A 12 14.660 -4.615 11.881 1.00 0.00 C ATOM 186 C ARG A 12 14.585 -3.114 11.602 1.00 0.00 C ATOM 187 O ARG A 12 15.610 -2.464 11.404 1.00 0.00 O ATOM 188 CB ARG A 12 14.166 -5.399 10.662 1.00 0.00 C ATOM 189 CG ARG A 12 14.936 -5.087 9.386 1.00 0.00 C ATOM 190 CD ARG A 12 14.444 -5.925 8.214 1.00 0.00 C ATOM 191 NE ARG A 12 13.044 -5.649 7.876 1.00 0.00 N ATOM 192 CZ ARG A 12 12.307 -6.414 7.064 1.00 0.00 C ATOM 193 NH1 ARG A 12 12.845 -7.464 6.461 1.00 0.00 N ATOM 194 NH2 ARG A 12 11.038 -6.115 6.827 1.00 0.00 N ATOM 0 H ARG A 12 13.169 -5.675 12.910 1.00 0.00 H new ATOM 0 HA ARG A 12 15.700 -4.878 12.072 1.00 0.00 H new ATOM 0 HB2 ARG A 12 14.242 -6.466 10.871 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.110 -5.180 10.503 1.00 0.00 H new ATOM 0 HG2 ARG A 12 14.831 -4.029 9.147 1.00 0.00 H new ATOM 0 HG3 ARG A 12 15.998 -5.273 9.547 1.00 0.00 H new ATOM 0 HD2 ARG A 12 15.070 -5.730 7.343 1.00 0.00 H new ATOM 0 HD3 ARG A 12 14.555 -6.982 8.455 1.00 0.00 H new ATOM 0 HE ARG A 12 12.606 -4.824 8.285 1.00 0.00 H new ATOM 0 HH11 ARG A 12 13.827 -7.693 6.615 1.00 0.00 H new ATOM 0 HH12 ARG A 12 12.277 -8.043 5.843 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.617 -5.296 7.265 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.483 -6.704 6.206 1.00 0.00 H new ATOM 208 N GLN A 13 13.369 -2.571 11.608 1.00 0.00 N ATOM 209 CA GLN A 13 13.156 -1.154 11.331 1.00 0.00 C ATOM 210 C GLN A 13 13.857 -0.288 12.373 1.00 0.00 C ATOM 211 O GLN A 13 14.509 0.705 12.043 1.00 0.00 O ATOM 212 CB GLN A 13 11.655 -0.838 11.311 1.00 0.00 C ATOM 213 CG GLN A 13 10.889 -1.558 10.210 1.00 0.00 C ATOM 214 CD GLN A 13 9.402 -1.267 10.254 1.00 0.00 C ATOM 215 OE1 GLN A 13 8.924 -0.306 9.653 1.00 0.00 O ATOM 216 NE2 GLN A 13 8.658 -2.098 10.968 1.00 0.00 N ATOM 0 H GLN A 13 12.515 -3.094 11.802 1.00 0.00 H new ATOM 0 HA GLN A 13 13.580 -0.930 10.352 1.00 0.00 H new ATOM 0 HB2 GLN A 13 11.224 -1.106 12.276 1.00 0.00 H new ATOM 0 HB3 GLN A 13 11.521 0.237 11.190 1.00 0.00 H new ATOM 0 HG2 GLN A 13 11.286 -1.259 9.240 1.00 0.00 H new ATOM 0 HG3 GLN A 13 11.049 -2.632 10.303 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.092 -2.884 11.452 1.00 0.00 H new ATOM 0 HE22 GLN A 13 7.651 -1.952 11.034 1.00 0.00 H new ATOM 225 N ARG A 14 13.728 -0.691 13.629 1.00 0.00 N ATOM 226 CA ARG A 14 14.307 0.045 14.742 1.00 0.00 C ATOM 227 C ARG A 14 15.831 -0.040 14.720 1.00 0.00 C ATOM 228 O ARG A 14 16.520 0.954 14.946 1.00 0.00 O ATOM 229 CB ARG A 14 13.761 -0.518 16.051 1.00 0.00 C ATOM 230 CG ARG A 14 14.204 0.242 17.285 1.00 0.00 C ATOM 231 CD ARG A 14 13.449 -0.228 18.514 1.00 0.00 C ATOM 232 NE ARG A 14 13.847 -1.572 18.943 1.00 0.00 N ATOM 233 CZ ARG A 14 13.107 -2.668 18.766 1.00 0.00 C ATOM 234 NH1 ARG A 14 11.958 -2.603 18.111 1.00 0.00 N ATOM 235 NH2 ARG A 14 13.522 -3.831 19.252 1.00 0.00 N ATOM 0 H ARG A 14 13.222 -1.533 13.904 1.00 0.00 H new ATOM 0 HA ARG A 14 14.033 1.096 14.654 1.00 0.00 H new ATOM 0 HB2 ARG A 14 12.672 -0.516 16.008 1.00 0.00 H new ATOM 0 HB3 ARG A 14 14.075 -1.558 16.146 1.00 0.00 H new ATOM 0 HG2 ARG A 14 15.275 0.104 17.437 1.00 0.00 H new ATOM 0 HG3 ARG A 14 14.038 1.309 17.138 1.00 0.00 H new ATOM 0 HD2 ARG A 14 13.618 0.474 19.330 1.00 0.00 H new ATOM 0 HD3 ARG A 14 12.380 -0.220 18.303 1.00 0.00 H new ATOM 0 HE ARG A 14 14.749 -1.676 19.407 1.00 0.00 H new ATOM 0 HH11 ARG A 14 11.633 -1.711 17.738 1.00 0.00 H new ATOM 0 HH12 ARG A 14 11.398 -3.445 17.980 1.00 0.00 H new ATOM 0 HH21 ARG A 14 14.405 -3.886 19.760 1.00 0.00 H new ATOM 0 HH22 ARG A 14 12.958 -4.670 19.118 1.00 0.00 H new ATOM 249 N ALA A 15 16.341 -1.229 14.441 1.00 0.00 N ATOM 250 CA ALA A 15 17.779 -1.468 14.387 1.00 0.00 C ATOM 251 C ALA A 15 18.452 -0.595 13.337 1.00 0.00 C ATOM 252 O ALA A 15 19.488 0.011 13.603 1.00 0.00 O ATOM 253 CB ALA A 15 18.055 -2.935 14.115 1.00 0.00 C ATOM 0 H ALA A 15 15.774 -2.054 14.246 1.00 0.00 H new ATOM 0 HA ALA A 15 18.200 -1.201 15.356 1.00 0.00 H new ATOM 0 HB1 ALA A 15 19.131 -3.102 14.077 1.00 0.00 H new ATOM 0 HB2 ALA A 15 17.622 -3.540 14.911 1.00 0.00 H new ATOM 0 HB3 ALA A 15 17.610 -3.218 13.161 1.00 0.00 H new ATOM 259 N VAL A 16 17.856 -0.524 12.153 1.00 0.00 N ATOM 260 CA VAL A 16 18.396 0.306 11.079 1.00 0.00 C ATOM 261 C VAL A 16 18.411 1.775 11.497 1.00 0.00 C ATOM 262 O VAL A 16 19.371 2.501 11.225 1.00 0.00 O ATOM 263 CB VAL A 16 17.596 0.144 9.766 1.00 0.00 C ATOM 264 CG1 VAL A 16 18.132 1.070 8.683 1.00 0.00 C ATOM 265 CG2 VAL A 16 17.637 -1.298 9.290 1.00 0.00 C ATOM 0 H VAL A 16 17.003 -1.028 11.911 1.00 0.00 H new ATOM 0 HA VAL A 16 19.416 -0.030 10.893 1.00 0.00 H new ATOM 0 HB VAL A 16 16.560 0.417 9.969 1.00 0.00 H new ATOM 0 HG11 VAL A 16 17.552 0.936 7.770 1.00 0.00 H new ATOM 0 HG12 VAL A 16 18.051 2.105 9.016 1.00 0.00 H new ATOM 0 HG13 VAL A 16 19.178 0.833 8.486 1.00 0.00 H new ATOM 0 HG21 VAL A 16 17.068 -1.392 8.365 1.00 0.00 H new ATOM 0 HG22 VAL A 16 18.671 -1.593 9.112 1.00 0.00 H new ATOM 0 HG23 VAL A 16 17.201 -1.945 10.051 1.00 0.00 H new ATOM 275 N ARG A 17 17.357 2.206 12.185 1.00 0.00 N ATOM 276 CA ARG A 17 17.289 3.576 12.679 1.00 0.00 C ATOM 277 C ARG A 17 18.354 3.803 13.753 1.00 0.00 C ATOM 278 O ARG A 17 18.956 4.872 13.826 1.00 0.00 O ATOM 279 CB ARG A 17 15.899 3.894 13.239 1.00 0.00 C ATOM 280 CG ARG A 17 15.710 5.364 13.581 1.00 0.00 C ATOM 281 CD ARG A 17 14.314 5.650 14.109 1.00 0.00 C ATOM 282 NE ARG A 17 14.088 5.066 15.433 1.00 0.00 N ATOM 283 CZ ARG A 17 12.987 5.277 16.155 1.00 0.00 C ATOM 284 NH1 ARG A 17 12.004 6.026 15.674 1.00 0.00 N ATOM 285 NH2 ARG A 17 12.867 4.745 17.363 1.00 0.00 N ATOM 0 H ARG A 17 16.545 1.631 12.411 1.00 0.00 H new ATOM 0 HA ARG A 17 17.478 4.247 11.841 1.00 0.00 H new ATOM 0 HB2 ARG A 17 15.145 3.598 12.510 1.00 0.00 H new ATOM 0 HB3 ARG A 17 15.730 3.295 14.134 1.00 0.00 H new ATOM 0 HG2 ARG A 17 16.448 5.661 14.327 1.00 0.00 H new ATOM 0 HG3 ARG A 17 15.893 5.969 12.693 1.00 0.00 H new ATOM 0 HD2 ARG A 17 14.161 6.728 14.159 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.576 5.256 13.410 1.00 0.00 H new ATOM 0 HE ARG A 17 14.813 4.465 15.824 1.00 0.00 H new ATOM 0 HH11 ARG A 17 12.088 6.444 14.747 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.164 6.184 16.231 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.619 4.171 17.745 1.00 0.00 H new ATOM 0 HH22 ARG A 17 12.023 4.910 17.911 1.00 0.00 H new ATOM 299 N MET A 18 18.585 2.785 14.578 1.00 0.00 N ATOM 300 CA MET A 18 19.641 2.832 15.587 1.00 0.00 C ATOM 301 C MET A 18 21.000 3.039 14.934 1.00 0.00 C ATOM 302 O MET A 18 21.815 3.830 15.412 1.00 0.00 O ATOM 303 CB MET A 18 19.665 1.543 16.414 1.00 0.00 C ATOM 304 CG MET A 18 18.697 1.537 17.587 1.00 0.00 C ATOM 305 SD MET A 18 19.147 2.728 18.864 1.00 0.00 S ATOM 306 CE MET A 18 18.036 2.240 20.183 1.00 0.00 C ATOM 0 H MET A 18 18.053 1.915 14.568 1.00 0.00 H new ATOM 0 HA MET A 18 19.429 3.673 16.248 1.00 0.00 H new ATOM 0 HB2 MET A 18 19.433 0.701 15.761 1.00 0.00 H new ATOM 0 HB3 MET A 18 20.676 1.385 16.791 1.00 0.00 H new ATOM 0 HG2 MET A 18 17.693 1.759 17.226 1.00 0.00 H new ATOM 0 HG3 MET A 18 18.665 0.538 18.022 1.00 0.00 H new ATOM 0 HE1 MET A 18 18.192 2.885 21.048 1.00 0.00 H new ATOM 0 HE2 MET A 18 17.005 2.333 19.843 1.00 0.00 H new ATOM 0 HE3 MET A 18 18.234 1.205 20.462 1.00 0.00 H new ATOM 316 N VAL A 19 21.233 2.320 13.840 1.00 0.00 N ATOM 317 CA VAL A 19 22.479 2.435 13.095 1.00 0.00 C ATOM 318 C VAL A 19 22.707 3.873 12.660 1.00 0.00 C ATOM 319 O VAL A 19 23.797 4.408 12.824 1.00 0.00 O ATOM 320 CB VAL A 19 22.495 1.519 11.852 1.00 0.00 C ATOM 321 CG1 VAL A 19 23.784 1.700 11.057 1.00 0.00 C ATOM 322 CG2 VAL A 19 22.329 0.068 12.261 1.00 0.00 C ATOM 0 H VAL A 19 20.571 1.649 13.450 1.00 0.00 H new ATOM 0 HA VAL A 19 23.280 2.119 13.763 1.00 0.00 H new ATOM 0 HB VAL A 19 21.658 1.802 11.213 1.00 0.00 H new ATOM 0 HG11 VAL A 19 23.770 1.044 10.187 1.00 0.00 H new ATOM 0 HG12 VAL A 19 23.867 2.736 10.729 1.00 0.00 H new ATOM 0 HG13 VAL A 19 24.638 1.450 11.687 1.00 0.00 H new ATOM 0 HG21 VAL A 19 22.342 -0.564 11.373 1.00 0.00 H new ATOM 0 HG22 VAL A 19 23.146 -0.219 12.923 1.00 0.00 H new ATOM 0 HG23 VAL A 19 21.379 -0.057 12.781 1.00 0.00 H new ATOM 332 N LEU A 20 21.665 4.501 12.130 1.00 0.00 N ATOM 333 CA LEU A 20 21.753 5.886 11.671 1.00 0.00 C ATOM 334 C LEU A 20 21.899 6.841 12.853 1.00 0.00 C ATOM 335 O LEU A 20 22.694 7.786 12.814 1.00 0.00 O ATOM 336 CB LEU A 20 20.513 6.254 10.851 1.00 0.00 C ATOM 337 CG LEU A 20 20.273 5.378 9.622 1.00 0.00 C ATOM 338 CD1 LEU A 20 19.016 5.815 8.885 1.00 0.00 C ATOM 339 CD2 LEU A 20 21.478 5.413 8.694 1.00 0.00 C ATOM 0 H LEU A 20 20.747 4.075 12.006 1.00 0.00 H new ATOM 0 HA LEU A 20 22.637 5.979 11.040 1.00 0.00 H new ATOM 0 HB2 LEU A 20 19.637 6.196 11.497 1.00 0.00 H new ATOM 0 HB3 LEU A 20 20.603 7.291 10.528 1.00 0.00 H new ATOM 0 HG LEU A 20 20.130 4.351 9.959 1.00 0.00 H new ATOM 0 HD11 LEU A 20 18.865 5.178 8.014 1.00 0.00 H new ATOM 0 HD12 LEU A 20 18.156 5.731 9.550 1.00 0.00 H new ATOM 0 HD13 LEU A 20 19.125 6.850 8.562 1.00 0.00 H new ATOM 0 HD21 LEU A 20 21.287 4.783 7.825 1.00 0.00 H new ATOM 0 HD22 LEU A 20 21.656 6.437 8.367 1.00 0.00 H new ATOM 0 HD23 LEU A 20 22.356 5.044 9.224 1.00 0.00 H new ATOM 351 N GLU A 21 21.141 6.569 13.907 1.00 0.00 N ATOM 352 CA GLU A 21 21.150 7.403 15.100 1.00 0.00 C ATOM 353 C GLU A 21 22.557 7.491 15.679 1.00 0.00 C ATOM 354 O GLU A 21 23.070 8.582 15.937 1.00 0.00 O ATOM 355 CB GLU A 21 20.190 6.841 16.155 1.00 0.00 C ATOM 356 CG GLU A 21 19.747 7.871 17.179 1.00 0.00 C ATOM 357 CD GLU A 21 18.838 8.916 16.573 1.00 0.00 C ATOM 358 OE1 GLU A 21 19.323 9.749 15.777 1.00 0.00 O ATOM 359 OE2 GLU A 21 17.626 8.892 16.864 1.00 0.00 O ATOM 0 H GLU A 21 20.508 5.771 13.959 1.00 0.00 H new ATOM 0 HA GLU A 21 20.820 8.403 14.818 1.00 0.00 H new ATOM 0 HB2 GLU A 21 19.310 6.435 15.655 1.00 0.00 H new ATOM 0 HB3 GLU A 21 20.674 6.012 16.671 1.00 0.00 H new ATOM 0 HG2 GLU A 21 19.229 7.370 17.997 1.00 0.00 H new ATOM 0 HG3 GLU A 21 20.624 8.357 17.607 1.00 0.00 H new ATOM 366 N SER A 22 23.188 6.338 15.851 1.00 0.00 N ATOM 367 CA SER A 22 24.520 6.275 16.429 1.00 0.00 C ATOM 368 C SER A 22 25.580 6.572 15.360 1.00 0.00 C ATOM 369 O SER A 22 26.744 6.831 15.673 1.00 0.00 O ATOM 370 CB SER A 22 24.741 4.897 17.060 1.00 0.00 C ATOM 371 OG SER A 22 25.863 4.891 17.925 1.00 0.00 O ATOM 0 H SER A 22 22.796 5.431 15.597 1.00 0.00 H new ATOM 0 HA SER A 22 24.613 7.032 17.208 1.00 0.00 H new ATOM 0 HB2 SER A 22 23.851 4.605 17.617 1.00 0.00 H new ATOM 0 HB3 SER A 22 24.883 4.155 16.274 1.00 0.00 H new ATOM 0 HG SER A 22 26.490 4.193 17.642 1.00 0.00 H new ATOM 377 N GLN A 23 25.162 6.544 14.092 1.00 0.00 N ATOM 378 CA GLN A 23 26.024 6.941 12.978 1.00 0.00 C ATOM 379 C GLN A 23 26.307 8.436 13.065 1.00 0.00 C ATOM 380 O GLN A 23 27.314 8.932 12.562 1.00 0.00 O ATOM 381 CB GLN A 23 25.348 6.611 11.641 1.00 0.00 C ATOM 382 CG GLN A 23 26.220 6.833 10.419 1.00 0.00 C ATOM 383 CD GLN A 23 25.458 6.601 9.128 1.00 0.00 C ATOM 384 OE1 GLN A 23 24.868 7.523 8.565 1.00 0.00 O ATOM 385 NE2 GLN A 23 25.461 5.367 8.649 1.00 0.00 N ATOM 0 H GLN A 23 24.227 6.249 13.811 1.00 0.00 H new ATOM 0 HA GLN A 23 26.963 6.391 13.037 1.00 0.00 H new ATOM 0 HB2 GLN A 23 25.028 5.569 11.658 1.00 0.00 H new ATOM 0 HB3 GLN A 23 24.448 7.219 11.544 1.00 0.00 H new ATOM 0 HG2 GLN A 23 26.610 7.851 10.432 1.00 0.00 H new ATOM 0 HG3 GLN A 23 27.078 6.162 10.459 1.00 0.00 H new ATOM 0 HE21 GLN A 23 25.962 4.629 9.144 1.00 0.00 H new ATOM 0 HE22 GLN A 23 24.963 5.154 7.785 1.00 0.00 H new ATOM 394 N GLY A 24 25.394 9.153 13.706 1.00 0.00 N ATOM 395 CA GLY A 24 25.610 10.564 13.970 1.00 0.00 C ATOM 396 C GLY A 24 26.614 10.805 15.090 1.00 0.00 C ATOM 397 O GLY A 24 26.987 11.948 15.363 1.00 0.00 O ATOM 0 H GLY A 24 24.507 8.784 14.048 1.00 0.00 H new ATOM 0 HA2 GLY A 24 25.963 11.050 13.060 1.00 0.00 H new ATOM 0 HA3 GLY A 24 24.660 11.030 14.232 1.00 0.00 H new ATOM 401 N GLU A 25 27.048 9.733 15.745 1.00 0.00 N ATOM 402 CA GLU A 25 28.013 9.839 16.833 1.00 0.00 C ATOM 403 C GLU A 25 29.340 9.194 16.449 1.00 0.00 C ATOM 404 O GLU A 25 30.384 9.848 16.476 1.00 0.00 O ATOM 405 CB GLU A 25 27.470 9.192 18.104 1.00 0.00 C ATOM 406 CG GLU A 25 26.224 9.872 18.647 1.00 0.00 C ATOM 407 CD GLU A 25 25.794 9.306 19.981 1.00 0.00 C ATOM 408 OE1 GLU A 25 26.420 9.651 21.004 1.00 0.00 O ATOM 409 OE2 GLU A 25 24.838 8.507 20.013 1.00 0.00 O ATOM 0 H GLU A 25 26.746 8.780 15.541 1.00 0.00 H new ATOM 0 HA GLU A 25 28.183 10.899 17.023 1.00 0.00 H new ATOM 0 HB2 GLU A 25 27.244 8.145 17.901 1.00 0.00 H new ATOM 0 HB3 GLU A 25 28.246 9.208 18.870 1.00 0.00 H new ATOM 0 HG2 GLU A 25 26.413 10.940 18.753 1.00 0.00 H new ATOM 0 HG3 GLU A 25 25.411 9.762 17.929 1.00 0.00 H new ATOM 416 N TYR A 26 29.303 7.916 16.094 1.00 0.00 N ATOM 417 CA TYR A 26 30.506 7.215 15.667 1.00 0.00 C ATOM 418 C TYR A 26 30.967 7.725 14.310 1.00 0.00 C ATOM 419 O TYR A 26 30.154 7.953 13.418 1.00 0.00 O ATOM 420 CB TYR A 26 30.264 5.708 15.582 1.00 0.00 C ATOM 421 CG TYR A 26 30.188 5.004 16.918 1.00 0.00 C ATOM 422 CD1 TYR A 26 31.291 4.949 17.760 1.00 0.00 C ATOM 423 CD2 TYR A 26 29.022 4.370 17.322 1.00 0.00 C ATOM 424 CE1 TYR A 26 31.232 4.280 18.968 1.00 0.00 C ATOM 425 CE2 TYR A 26 28.955 3.703 18.531 1.00 0.00 C ATOM 426 CZ TYR A 26 30.061 3.661 19.348 1.00 0.00 C ATOM 427 OH TYR A 26 30.000 2.983 20.545 1.00 0.00 O ATOM 0 H TYR A 26 28.457 7.346 16.093 1.00 0.00 H new ATOM 0 HA TYR A 26 31.280 7.407 16.410 1.00 0.00 H new ATOM 0 HB2 TYR A 26 29.334 5.533 15.041 1.00 0.00 H new ATOM 0 HB3 TYR A 26 31.064 5.258 14.994 1.00 0.00 H new ATOM 0 HD1 TYR A 26 32.209 5.436 17.466 1.00 0.00 H new ATOM 0 HD2 TYR A 26 28.153 4.398 16.682 1.00 0.00 H new ATOM 0 HE1 TYR A 26 32.099 4.243 19.611 1.00 0.00 H new ATOM 0 HE2 TYR A 26 28.039 3.217 18.833 1.00 0.00 H new ATOM 0 HH TYR A 26 29.801 2.038 20.376 1.00 0.00 H new ATOM 437 N ASP A 27 32.269 7.908 14.165 1.00 0.00 N ATOM 438 CA ASP A 27 32.837 8.356 12.899 1.00 0.00 C ATOM 439 C ASP A 27 32.857 7.204 11.903 1.00 0.00 C ATOM 440 O ASP A 27 32.604 7.388 10.713 1.00 0.00 O ATOM 441 CB ASP A 27 34.261 8.892 13.088 1.00 0.00 C ATOM 442 CG ASP A 27 34.348 10.005 14.111 1.00 0.00 C ATOM 443 OD1 ASP A 27 34.056 11.169 13.761 1.00 0.00 O ATOM 444 OD2 ASP A 27 34.720 9.721 15.270 1.00 0.00 O ATOM 0 H ASP A 27 32.954 7.754 14.905 1.00 0.00 H new ATOM 0 HA ASP A 27 32.212 9.164 12.517 1.00 0.00 H new ATOM 0 HB2 ASP A 27 34.913 8.074 13.394 1.00 0.00 H new ATOM 0 HB3 ASP A 27 34.635 9.256 12.131 1.00 0.00 H new ATOM 449 N SER A 28 33.161 6.015 12.401 1.00 0.00 N ATOM 450 CA SER A 28 33.181 4.821 11.573 1.00 0.00 C ATOM 451 C SER A 28 31.950 3.964 11.840 1.00 0.00 C ATOM 452 O SER A 28 31.655 3.617 12.987 1.00 0.00 O ATOM 453 CB SER A 28 34.469 4.031 11.821 1.00 0.00 C ATOM 454 OG SER A 28 34.765 3.937 13.205 1.00 0.00 O ATOM 0 H SER A 28 33.398 5.852 13.380 1.00 0.00 H new ATOM 0 HA SER A 28 33.159 5.118 10.524 1.00 0.00 H new ATOM 0 HB2 SER A 28 34.369 3.030 11.401 1.00 0.00 H new ATOM 0 HB3 SER A 28 35.298 4.513 11.303 1.00 0.00 H new ATOM 0 HG SER A 28 35.592 3.426 13.329 1.00 0.00 H new ATOM 460 N GLN A 29 31.239 3.628 10.771 1.00 0.00 N ATOM 461 CA GLN A 29 29.985 2.892 10.865 1.00 0.00 C ATOM 462 C GLN A 29 30.207 1.480 11.407 1.00 0.00 C ATOM 463 O GLN A 29 29.278 0.844 11.912 1.00 0.00 O ATOM 464 CB GLN A 29 29.319 2.847 9.487 1.00 0.00 C ATOM 465 CG GLN A 29 27.928 2.235 9.486 1.00 0.00 C ATOM 466 CD GLN A 29 27.244 2.355 8.136 1.00 0.00 C ATOM 467 OE1 GLN A 29 27.484 3.300 7.386 1.00 0.00 O ATOM 468 NE2 GLN A 29 26.386 1.401 7.819 1.00 0.00 N ATOM 0 H GLN A 29 31.515 3.858 9.816 1.00 0.00 H new ATOM 0 HA GLN A 29 29.329 3.407 11.566 1.00 0.00 H new ATOM 0 HB2 GLN A 29 29.258 3.861 9.093 1.00 0.00 H new ATOM 0 HB3 GLN A 29 29.954 2.279 8.808 1.00 0.00 H new ATOM 0 HG2 GLN A 29 27.997 1.183 9.763 1.00 0.00 H new ATOM 0 HG3 GLN A 29 27.318 2.725 10.244 1.00 0.00 H new ATOM 0 HE21 GLN A 29 26.214 0.633 8.468 1.00 0.00 H new ATOM 0 HE22 GLN A 29 25.896 1.432 6.925 1.00 0.00 H new ATOM 477 N TRP A 30 31.443 1.001 11.317 1.00 0.00 N ATOM 478 CA TRP A 30 31.796 -0.309 11.848 1.00 0.00 C ATOM 479 C TRP A 30 31.559 -0.349 13.351 1.00 0.00 C ATOM 480 O TRP A 30 30.944 -1.282 13.872 1.00 0.00 O ATOM 481 CB TRP A 30 33.260 -0.633 11.554 1.00 0.00 C ATOM 482 CG TRP A 30 33.605 -0.601 10.100 1.00 0.00 C ATOM 483 CD1 TRP A 30 33.031 -1.336 9.106 1.00 0.00 C ATOM 484 CD2 TRP A 30 34.617 0.199 9.478 1.00 0.00 C ATOM 485 NE1 TRP A 30 33.619 -1.037 7.903 1.00 0.00 N ATOM 486 CE2 TRP A 30 34.597 -0.101 8.105 1.00 0.00 C ATOM 487 CE3 TRP A 30 35.537 1.138 9.949 1.00 0.00 C ATOM 488 CZ2 TRP A 30 35.459 0.506 7.197 1.00 0.00 C ATOM 489 CZ3 TRP A 30 36.393 1.742 9.047 1.00 0.00 C ATOM 490 CH2 TRP A 30 36.350 1.422 7.683 1.00 0.00 C ATOM 0 H TRP A 30 32.217 1.501 10.881 1.00 0.00 H new ATOM 0 HA TRP A 30 31.165 -1.054 11.363 1.00 0.00 H new ATOM 0 HB2 TRP A 30 33.893 0.079 12.084 1.00 0.00 H new ATOM 0 HB3 TRP A 30 33.490 -1.622 11.951 1.00 0.00 H new ATOM 0 HD1 TRP A 30 32.231 -2.049 9.245 1.00 0.00 H new ATOM 0 HE1 TRP A 30 33.368 -1.446 7.003 1.00 0.00 H new ATOM 0 HE3 TRP A 30 35.579 1.388 10.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 35.425 0.262 6.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 37.107 2.472 9.399 1.00 0.00 H new ATOM 0 HH2 TRP A 30 37.034 1.908 7.003 1.00 0.00 H new ATOM 501 N ALA A 31 32.034 0.687 14.040 1.00 0.00 N ATOM 502 CA ALA A 31 31.885 0.780 15.484 1.00 0.00 C ATOM 503 C ALA A 31 30.417 0.929 15.856 1.00 0.00 C ATOM 504 O ALA A 31 29.970 0.405 16.876 1.00 0.00 O ATOM 505 CB ALA A 31 32.694 1.945 16.030 1.00 0.00 C ATOM 0 H ALA A 31 32.526 1.474 13.617 1.00 0.00 H new ATOM 0 HA ALA A 31 32.264 -0.139 15.931 1.00 0.00 H new ATOM 0 HB1 ALA A 31 32.570 1.999 17.112 1.00 0.00 H new ATOM 0 HB2 ALA A 31 33.748 1.799 15.792 1.00 0.00 H new ATOM 0 HB3 ALA A 31 32.345 2.874 15.578 1.00 0.00 H new ATOM 511 N THR A 32 29.675 1.633 15.009 1.00 0.00 N ATOM 512 CA THR A 32 28.245 1.808 15.194 1.00 0.00 C ATOM 513 C THR A 32 27.546 0.455 15.302 1.00 0.00 C ATOM 514 O THR A 32 26.909 0.146 16.309 1.00 0.00 O ATOM 515 CB THR A 32 27.644 2.589 14.011 1.00 0.00 C ATOM 516 OG1 THR A 32 28.444 3.745 13.742 1.00 0.00 O ATOM 517 CG2 THR A 32 26.218 3.016 14.307 1.00 0.00 C ATOM 0 H THR A 32 30.048 2.095 14.180 1.00 0.00 H new ATOM 0 HA THR A 32 28.092 2.367 16.117 1.00 0.00 H new ATOM 0 HB THR A 32 27.633 1.935 13.139 1.00 0.00 H new ATOM 0 HG1 THR A 32 27.980 4.322 13.100 1.00 0.00 H new ATOM 0 HG21 THR A 32 25.818 3.566 13.455 1.00 0.00 H new ATOM 0 HG22 THR A 32 25.605 2.134 14.490 1.00 0.00 H new ATOM 0 HG23 THR A 32 26.206 3.656 15.189 1.00 0.00 H new ATOM 525 N ILE A 33 27.703 -0.356 14.264 1.00 0.00 N ATOM 526 CA ILE A 33 27.078 -1.672 14.208 1.00 0.00 C ATOM 527 C ILE A 33 27.589 -2.565 15.339 1.00 0.00 C ATOM 528 O ILE A 33 26.834 -3.338 15.929 1.00 0.00 O ATOM 529 CB ILE A 33 27.348 -2.351 12.844 1.00 0.00 C ATOM 530 CG1 ILE A 33 26.796 -1.484 11.708 1.00 0.00 C ATOM 531 CG2 ILE A 33 26.737 -3.746 12.799 1.00 0.00 C ATOM 532 CD1 ILE A 33 27.079 -2.036 10.327 1.00 0.00 C ATOM 0 H ILE A 33 28.262 -0.123 13.443 1.00 0.00 H new ATOM 0 HA ILE A 33 26.003 -1.534 14.326 1.00 0.00 H new ATOM 0 HB ILE A 33 28.426 -2.454 12.717 1.00 0.00 H new ATOM 0 HG12 ILE A 33 25.718 -1.379 11.834 1.00 0.00 H new ATOM 0 HG13 ILE A 33 27.224 -0.485 11.785 1.00 0.00 H new ATOM 0 HG21 ILE A 33 26.941 -4.201 11.830 1.00 0.00 H new ATOM 0 HG22 ILE A 33 27.173 -4.360 13.587 1.00 0.00 H new ATOM 0 HG23 ILE A 33 25.659 -3.676 12.947 1.00 0.00 H new ATOM 0 HD11 ILE A 33 26.658 -1.369 9.575 1.00 0.00 H new ATOM 0 HD12 ILE A 33 28.156 -2.114 10.180 1.00 0.00 H new ATOM 0 HD13 ILE A 33 26.627 -3.023 10.230 1.00 0.00 H new ATOM 544 N CYS A 34 28.870 -2.418 15.656 1.00 0.00 N ATOM 545 CA CYS A 34 29.516 -3.231 16.675 1.00 0.00 C ATOM 546 C CYS A 34 28.868 -3.035 18.050 1.00 0.00 C ATOM 547 O CYS A 34 28.672 -3.998 18.793 1.00 0.00 O ATOM 548 CB CYS A 34 31.008 -2.888 16.734 1.00 0.00 C ATOM 549 SG CYS A 34 31.989 -3.964 17.804 1.00 0.00 S ATOM 0 H CYS A 34 29.486 -1.735 15.215 1.00 0.00 H new ATOM 0 HA CYS A 34 29.393 -4.280 16.404 1.00 0.00 H new ATOM 0 HB2 CYS A 34 31.417 -2.932 15.725 1.00 0.00 H new ATOM 0 HB3 CYS A 34 31.117 -1.859 17.078 1.00 0.00 H new ATOM 0 HG CYS A 34 33.232 -3.586 17.777 1.00 0.00 H new ATOM 555 N SER A 35 28.527 -1.795 18.382 1.00 0.00 N ATOM 556 CA SER A 35 27.970 -1.483 19.695 1.00 0.00 C ATOM 557 C SER A 35 26.475 -1.812 19.779 1.00 0.00 C ATOM 558 O SER A 35 25.960 -2.124 20.852 1.00 0.00 O ATOM 559 CB SER A 35 28.197 -0.007 20.020 1.00 0.00 C ATOM 560 OG SER A 35 29.577 0.323 19.976 1.00 0.00 O ATOM 0 H SER A 35 28.626 -0.991 17.763 1.00 0.00 H new ATOM 0 HA SER A 35 28.485 -2.105 20.427 1.00 0.00 H new ATOM 0 HB2 SER A 35 27.650 0.613 19.310 1.00 0.00 H new ATOM 0 HB3 SER A 35 27.799 0.215 21.010 1.00 0.00 H new ATOM 0 HG SER A 35 29.861 0.419 19.043 1.00 0.00 H new ATOM 566 N ILE A 36 25.785 -1.749 18.648 1.00 0.00 N ATOM 567 CA ILE A 36 24.343 -1.974 18.624 1.00 0.00 C ATOM 568 C ILE A 36 24.007 -3.466 18.671 1.00 0.00 C ATOM 569 O ILE A 36 22.949 -3.860 19.168 1.00 0.00 O ATOM 570 CB ILE A 36 23.707 -1.337 17.368 1.00 0.00 C ATOM 571 CG1 ILE A 36 24.005 0.162 17.331 1.00 0.00 C ATOM 572 CG2 ILE A 36 22.202 -1.574 17.345 1.00 0.00 C ATOM 573 CD1 ILE A 36 23.531 0.846 16.069 1.00 0.00 C ATOM 0 H ILE A 36 26.197 -1.545 17.738 1.00 0.00 H new ATOM 0 HA ILE A 36 23.929 -1.499 19.513 1.00 0.00 H new ATOM 0 HB ILE A 36 24.142 -1.808 16.486 1.00 0.00 H new ATOM 0 HG12 ILE A 36 23.533 0.638 18.191 1.00 0.00 H new ATOM 0 HG13 ILE A 36 25.080 0.312 17.433 1.00 0.00 H new ATOM 0 HG21 ILE A 36 21.775 -1.117 16.452 1.00 0.00 H new ATOM 0 HG22 ILE A 36 22.003 -2.646 17.335 1.00 0.00 H new ATOM 0 HG23 ILE A 36 21.750 -1.129 18.232 1.00 0.00 H new ATOM 0 HD11 ILE A 36 23.777 1.907 16.116 1.00 0.00 H new ATOM 0 HD12 ILE A 36 24.022 0.397 15.205 1.00 0.00 H new ATOM 0 HD13 ILE A 36 22.451 0.728 15.975 1.00 0.00 H new ATOM 585 N ALA A 37 24.923 -4.293 18.178 1.00 0.00 N ATOM 586 CA ALA A 37 24.708 -5.738 18.122 1.00 0.00 C ATOM 587 C ALA A 37 24.349 -6.340 19.496 1.00 0.00 C ATOM 588 O ALA A 37 23.317 -7.006 19.617 1.00 0.00 O ATOM 589 CB ALA A 37 25.917 -6.439 17.515 1.00 0.00 C ATOM 0 H ALA A 37 25.824 -3.988 17.810 1.00 0.00 H new ATOM 0 HA ALA A 37 23.846 -5.906 17.476 1.00 0.00 H new ATOM 0 HB1 ALA A 37 25.736 -7.513 17.483 1.00 0.00 H new ATOM 0 HB2 ALA A 37 26.083 -6.068 16.503 1.00 0.00 H new ATOM 0 HB3 ALA A 37 26.798 -6.238 18.124 1.00 0.00 H new ATOM 595 N PRO A 38 25.161 -6.110 20.558 1.00 0.00 N ATOM 596 CA PRO A 38 24.889 -6.664 21.887 1.00 0.00 C ATOM 597 C PRO A 38 23.796 -5.889 22.622 1.00 0.00 C ATOM 598 O PRO A 38 23.346 -6.294 23.694 1.00 0.00 O ATOM 599 CB PRO A 38 26.228 -6.531 22.635 1.00 0.00 C ATOM 600 CG PRO A 38 27.203 -5.986 21.645 1.00 0.00 C ATOM 601 CD PRO A 38 26.394 -5.312 20.575 1.00 0.00 C ATOM 0 HA PRO A 38 24.529 -7.691 21.824 1.00 0.00 H new ATOM 0 HB2 PRO A 38 26.131 -5.866 23.493 1.00 0.00 H new ATOM 0 HB3 PRO A 38 26.559 -7.497 23.017 1.00 0.00 H new ATOM 0 HG2 PRO A 38 27.883 -5.279 22.120 1.00 0.00 H new ATOM 0 HG3 PRO A 38 27.815 -6.784 21.224 1.00 0.00 H new ATOM 0 HD2 PRO A 38 26.197 -4.267 20.813 1.00 0.00 H new ATOM 0 HD3 PRO A 38 26.902 -5.329 19.611 1.00 0.00 H new ATOM 609 N LYS A 39 23.380 -4.769 22.047 1.00 0.00 N ATOM 610 CA LYS A 39 22.318 -3.964 22.632 1.00 0.00 C ATOM 611 C LYS A 39 20.969 -4.643 22.421 1.00 0.00 C ATOM 612 O LYS A 39 20.111 -4.645 23.305 1.00 0.00 O ATOM 613 CB LYS A 39 22.313 -2.563 22.012 1.00 0.00 C ATOM 614 CG LYS A 39 21.278 -1.619 22.612 1.00 0.00 C ATOM 615 CD LYS A 39 21.516 -1.404 24.096 1.00 0.00 C ATOM 616 CE LYS A 39 20.519 -0.423 24.691 1.00 0.00 C ATOM 617 NZ LYS A 39 20.707 -0.270 26.158 1.00 0.00 N ATOM 0 H LYS A 39 23.762 -4.398 21.177 1.00 0.00 H new ATOM 0 HA LYS A 39 22.497 -3.869 23.703 1.00 0.00 H new ATOM 0 HB2 LYS A 39 23.303 -2.122 22.130 1.00 0.00 H new ATOM 0 HB3 LYS A 39 22.130 -2.652 20.941 1.00 0.00 H new ATOM 0 HG2 LYS A 39 21.314 -0.661 22.094 1.00 0.00 H new ATOM 0 HG3 LYS A 39 20.279 -2.027 22.458 1.00 0.00 H new ATOM 0 HD2 LYS A 39 21.443 -2.358 24.618 1.00 0.00 H new ATOM 0 HD3 LYS A 39 22.529 -1.032 24.252 1.00 0.00 H new ATOM 0 HE2 LYS A 39 20.630 0.547 24.207 1.00 0.00 H new ATOM 0 HE3 LYS A 39 19.505 -0.767 24.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 20.010 0.407 26.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 20.577 -1.191 26.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 21.667 0.082 26.350 1.00 0.00 H new ATOM 631 N ILE A 40 20.794 -5.222 21.241 1.00 0.00 N ATOM 632 CA ILE A 40 19.567 -5.927 20.913 1.00 0.00 C ATOM 633 C ILE A 40 19.733 -7.425 21.154 1.00 0.00 C ATOM 634 O ILE A 40 18.842 -8.085 21.690 1.00 0.00 O ATOM 635 CB ILE A 40 19.156 -5.684 19.444 1.00 0.00 C ATOM 636 CG1 ILE A 40 19.021 -4.181 19.176 1.00 0.00 C ATOM 637 CG2 ILE A 40 17.847 -6.405 19.127 1.00 0.00 C ATOM 638 CD1 ILE A 40 18.700 -3.840 17.737 1.00 0.00 C ATOM 0 H ILE A 40 21.489 -5.216 20.495 1.00 0.00 H new ATOM 0 HA ILE A 40 18.781 -5.540 21.562 1.00 0.00 H new ATOM 0 HB ILE A 40 19.933 -6.086 18.793 1.00 0.00 H new ATOM 0 HG12 ILE A 40 18.238 -3.777 19.818 1.00 0.00 H new ATOM 0 HG13 ILE A 40 19.951 -3.687 19.457 1.00 0.00 H new ATOM 0 HG21 ILE A 40 17.573 -6.222 18.088 1.00 0.00 H new ATOM 0 HG22 ILE A 40 17.974 -7.476 19.286 1.00 0.00 H new ATOM 0 HG23 ILE A 40 17.059 -6.032 19.781 1.00 0.00 H new ATOM 0 HD11 ILE A 40 18.621 -2.758 17.628 1.00 0.00 H new ATOM 0 HD12 ILE A 40 19.493 -4.212 17.089 1.00 0.00 H new ATOM 0 HD13 ILE A 40 17.754 -4.303 17.456 1.00 0.00 H new ATOM 650 N GLY A 41 20.888 -7.955 20.772 1.00 0.00 N ATOM 651 CA GLY A 41 21.136 -9.372 20.934 1.00 0.00 C ATOM 652 C GLY A 41 21.257 -10.082 19.607 1.00 0.00 C ATOM 653 O GLY A 41 20.619 -11.113 19.376 1.00 0.00 O ATOM 0 H GLY A 41 21.655 -7.429 20.354 1.00 0.00 H new ATOM 0 HA2 GLY A 41 22.052 -9.516 21.507 1.00 0.00 H new ATOM 0 HA3 GLY A 41 20.326 -9.818 21.511 1.00 0.00 H new ATOM 657 N CYS A 42 22.066 -9.523 18.725 1.00 0.00 N ATOM 658 CA CYS A 42 22.309 -10.110 17.420 1.00 0.00 C ATOM 659 C CYS A 42 23.767 -9.920 17.050 1.00 0.00 C ATOM 660 O CYS A 42 24.507 -9.257 17.774 1.00 0.00 O ATOM 661 CB CYS A 42 21.400 -9.471 16.363 1.00 0.00 C ATOM 662 SG CYS A 42 19.636 -9.652 16.705 1.00 0.00 S ATOM 0 H CYS A 42 22.571 -8.653 18.892 1.00 0.00 H new ATOM 0 HA CYS A 42 22.082 -11.175 17.458 1.00 0.00 H new ATOM 0 HB2 CYS A 42 21.638 -8.410 16.287 1.00 0.00 H new ATOM 0 HB3 CYS A 42 21.619 -9.917 15.393 1.00 0.00 H new ATOM 0 HG CYS A 42 19.472 -10.398 17.757 1.00 0.00 H new ATOM 668 N THR A 43 24.187 -10.501 15.944 1.00 0.00 N ATOM 669 CA THR A 43 25.557 -10.359 15.496 1.00 0.00 C ATOM 670 C THR A 43 25.688 -9.192 14.516 1.00 0.00 C ATOM 671 O THR A 43 24.750 -8.892 13.770 1.00 0.00 O ATOM 672 CB THR A 43 26.058 -11.661 14.845 1.00 0.00 C ATOM 673 OG1 THR A 43 25.064 -12.178 13.950 1.00 0.00 O ATOM 674 CG2 THR A 43 26.385 -12.704 15.903 1.00 0.00 C ATOM 0 H THR A 43 23.599 -11.075 15.340 1.00 0.00 H new ATOM 0 HA THR A 43 26.176 -10.150 16.369 1.00 0.00 H new ATOM 0 HB THR A 43 26.966 -11.435 14.286 1.00 0.00 H new ATOM 0 HG1 THR A 43 25.392 -13.005 13.539 1.00 0.00 H new ATOM 0 HG21 THR A 43 26.737 -13.615 15.419 1.00 0.00 H new ATOM 0 HG22 THR A 43 27.162 -12.321 16.564 1.00 0.00 H new ATOM 0 HG23 THR A 43 25.490 -12.925 16.485 1.00 0.00 H new ATOM 682 N PRO A 44 26.853 -8.519 14.508 1.00 0.00 N ATOM 683 CA PRO A 44 27.095 -7.355 13.647 1.00 0.00 C ATOM 684 C PRO A 44 26.839 -7.657 12.174 1.00 0.00 C ATOM 685 O PRO A 44 26.341 -6.810 11.437 1.00 0.00 O ATOM 686 CB PRO A 44 28.575 -7.035 13.878 1.00 0.00 C ATOM 687 CG PRO A 44 28.888 -7.617 15.211 1.00 0.00 C ATOM 688 CD PRO A 44 28.026 -8.840 15.343 1.00 0.00 C ATOM 0 HA PRO A 44 26.426 -6.529 13.888 1.00 0.00 H new ATOM 0 HB2 PRO A 44 29.200 -7.472 13.099 1.00 0.00 H new ATOM 0 HB3 PRO A 44 28.754 -5.960 13.864 1.00 0.00 H new ATOM 0 HG2 PRO A 44 29.944 -7.875 15.286 1.00 0.00 H new ATOM 0 HG3 PRO A 44 28.677 -6.903 16.007 1.00 0.00 H new ATOM 0 HD2 PRO A 44 28.539 -9.734 14.989 1.00 0.00 H new ATOM 0 HD3 PRO A 44 27.744 -9.024 16.380 1.00 0.00 H new ATOM 696 N GLU A 45 27.166 -8.877 11.761 1.00 0.00 N ATOM 697 CA GLU A 45 26.984 -9.296 10.377 1.00 0.00 C ATOM 698 C GLU A 45 25.514 -9.241 9.970 1.00 0.00 C ATOM 699 O GLU A 45 25.178 -8.761 8.888 1.00 0.00 O ATOM 700 CB GLU A 45 27.531 -10.711 10.179 1.00 0.00 C ATOM 701 CG GLU A 45 29.018 -10.831 10.475 1.00 0.00 C ATOM 702 CD GLU A 45 29.855 -9.900 9.620 1.00 0.00 C ATOM 703 OE1 GLU A 45 30.080 -8.746 10.033 1.00 0.00 O ATOM 704 OE2 GLU A 45 30.289 -10.320 8.526 1.00 0.00 O ATOM 0 H GLU A 45 27.560 -9.595 12.368 1.00 0.00 H new ATOM 0 HA GLU A 45 27.537 -8.605 9.741 1.00 0.00 H new ATOM 0 HB2 GLU A 45 26.983 -11.398 10.824 1.00 0.00 H new ATOM 0 HB3 GLU A 45 27.346 -11.023 9.151 1.00 0.00 H new ATOM 0 HG2 GLU A 45 29.195 -10.610 11.528 1.00 0.00 H new ATOM 0 HG3 GLU A 45 29.337 -11.860 10.307 1.00 0.00 H new ATOM 711 N THR A 46 24.642 -9.716 10.846 1.00 0.00 N ATOM 712 CA THR A 46 23.214 -9.730 10.571 1.00 0.00 C ATOM 713 C THR A 46 22.670 -8.303 10.459 1.00 0.00 C ATOM 714 O THR A 46 21.897 -7.990 9.552 1.00 0.00 O ATOM 715 CB THR A 46 22.451 -10.491 11.672 1.00 0.00 C ATOM 716 OG1 THR A 46 23.088 -11.753 11.919 1.00 0.00 O ATOM 717 CG2 THR A 46 21.002 -10.724 11.275 1.00 0.00 C ATOM 0 H THR A 46 24.900 -10.098 11.756 1.00 0.00 H new ATOM 0 HA THR A 46 23.064 -10.242 9.621 1.00 0.00 H new ATOM 0 HB THR A 46 22.467 -9.884 12.577 1.00 0.00 H new ATOM 0 HG1 THR A 46 23.715 -11.662 12.667 1.00 0.00 H new ATOM 0 HG21 THR A 46 20.489 -11.263 12.071 1.00 0.00 H new ATOM 0 HG22 THR A 46 20.511 -9.765 11.111 1.00 0.00 H new ATOM 0 HG23 THR A 46 20.966 -11.311 10.358 1.00 0.00 H new ATOM 725 N LEU A 47 23.104 -7.441 11.370 1.00 0.00 N ATOM 726 CA LEU A 47 22.685 -6.044 11.365 1.00 0.00 C ATOM 727 C LEU A 47 23.214 -5.333 10.120 1.00 0.00 C ATOM 728 O LEU A 47 22.525 -4.512 9.515 1.00 0.00 O ATOM 729 CB LEU A 47 23.180 -5.347 12.634 1.00 0.00 C ATOM 730 CG LEU A 47 22.794 -3.871 12.772 1.00 0.00 C ATOM 731 CD1 LEU A 47 21.285 -3.705 12.736 1.00 0.00 C ATOM 732 CD2 LEU A 47 23.354 -3.291 14.063 1.00 0.00 C ATOM 0 H LEU A 47 23.747 -7.685 12.123 1.00 0.00 H new ATOM 0 HA LEU A 47 21.596 -6.002 11.344 1.00 0.00 H new ATOM 0 HB2 LEU A 47 22.794 -5.887 13.498 1.00 0.00 H new ATOM 0 HB3 LEU A 47 24.267 -5.425 12.669 1.00 0.00 H new ATOM 0 HG LEU A 47 23.223 -3.328 11.930 1.00 0.00 H new ATOM 0 HD11 LEU A 47 21.033 -2.649 12.836 1.00 0.00 H new ATOM 0 HD12 LEU A 47 20.900 -4.082 11.789 1.00 0.00 H new ATOM 0 HD13 LEU A 47 20.838 -4.264 13.558 1.00 0.00 H new ATOM 0 HD21 LEU A 47 23.070 -2.242 14.144 1.00 0.00 H new ATOM 0 HD22 LEU A 47 22.953 -3.842 14.914 1.00 0.00 H new ATOM 0 HD23 LEU A 47 24.441 -3.373 14.057 1.00 0.00 H new ATOM 744 N ARG A 48 24.439 -5.676 9.742 1.00 0.00 N ATOM 745 CA ARG A 48 25.073 -5.129 8.546 1.00 0.00 C ATOM 746 C ARG A 48 24.231 -5.431 7.309 1.00 0.00 C ATOM 747 O ARG A 48 24.035 -4.570 6.449 1.00 0.00 O ATOM 748 CB ARG A 48 26.471 -5.737 8.398 1.00 0.00 C ATOM 749 CG ARG A 48 27.318 -5.128 7.291 1.00 0.00 C ATOM 750 CD ARG A 48 28.640 -5.868 7.166 1.00 0.00 C ATOM 751 NE ARG A 48 29.525 -5.284 6.160 1.00 0.00 N ATOM 752 CZ ARG A 48 30.366 -6.000 5.411 1.00 0.00 C ATOM 753 NH1 ARG A 48 30.390 -7.326 5.504 1.00 0.00 N ATOM 754 NH2 ARG A 48 31.186 -5.396 4.562 1.00 0.00 N ATOM 0 H ARG A 48 25.021 -6.339 10.253 1.00 0.00 H new ATOM 0 HA ARG A 48 25.155 -4.046 8.644 1.00 0.00 H new ATOM 0 HB2 ARG A 48 27.001 -5.627 9.344 1.00 0.00 H new ATOM 0 HB3 ARG A 48 26.369 -6.806 8.212 1.00 0.00 H new ATOM 0 HG2 ARG A 48 26.778 -5.173 6.345 1.00 0.00 H new ATOM 0 HG3 ARG A 48 27.502 -4.075 7.503 1.00 0.00 H new ATOM 0 HD2 ARG A 48 29.145 -5.866 8.132 1.00 0.00 H new ATOM 0 HD3 ARG A 48 28.445 -6.910 6.911 1.00 0.00 H new ATOM 0 HE ARG A 48 29.498 -4.274 6.023 1.00 0.00 H new ATOM 0 HH11 ARG A 48 29.763 -7.803 6.151 1.00 0.00 H new ATOM 0 HH12 ARG A 48 31.036 -7.866 4.928 1.00 0.00 H new ATOM 0 HH21 ARG A 48 31.176 -4.379 4.479 1.00 0.00 H new ATOM 0 HH22 ARG A 48 31.827 -5.948 3.992 1.00 0.00 H new ATOM 768 N VAL A 49 23.726 -6.659 7.237 1.00 0.00 N ATOM 769 CA VAL A 49 22.885 -7.080 6.123 1.00 0.00 C ATOM 770 C VAL A 49 21.582 -6.282 6.088 1.00 0.00 C ATOM 771 O VAL A 49 21.145 -5.847 5.021 1.00 0.00 O ATOM 772 CB VAL A 49 22.563 -8.591 6.194 1.00 0.00 C ATOM 773 CG1 VAL A 49 21.643 -9.005 5.052 1.00 0.00 C ATOM 774 CG2 VAL A 49 23.844 -9.409 6.160 1.00 0.00 C ATOM 0 H VAL A 49 23.886 -7.381 7.939 1.00 0.00 H new ATOM 0 HA VAL A 49 23.447 -6.887 5.209 1.00 0.00 H new ATOM 0 HB VAL A 49 22.048 -8.784 7.135 1.00 0.00 H new ATOM 0 HG11 VAL A 49 21.431 -10.072 5.124 1.00 0.00 H new ATOM 0 HG12 VAL A 49 20.710 -8.445 5.115 1.00 0.00 H new ATOM 0 HG13 VAL A 49 22.129 -8.795 4.099 1.00 0.00 H new ATOM 0 HG21 VAL A 49 23.600 -10.470 6.211 1.00 0.00 H new ATOM 0 HG22 VAL A 49 24.382 -9.204 5.234 1.00 0.00 H new ATOM 0 HG23 VAL A 49 24.470 -9.140 7.011 1.00 0.00 H new ATOM 784 N TRP A 50 20.976 -6.079 7.255 1.00 0.00 N ATOM 785 CA TRP A 50 19.726 -5.327 7.345 1.00 0.00 C ATOM 786 C TRP A 50 19.899 -3.909 6.811 1.00 0.00 C ATOM 787 O TRP A 50 19.032 -3.390 6.105 1.00 0.00 O ATOM 788 CB TRP A 50 19.219 -5.274 8.786 1.00 0.00 C ATOM 789 CG TRP A 50 18.753 -6.596 9.315 1.00 0.00 C ATOM 790 CD1 TRP A 50 18.366 -7.684 8.587 1.00 0.00 C ATOM 791 CD2 TRP A 50 18.607 -6.960 10.691 1.00 0.00 C ATOM 792 NE1 TRP A 50 17.999 -8.706 9.426 1.00 0.00 N ATOM 793 CE2 TRP A 50 18.135 -8.285 10.723 1.00 0.00 C ATOM 794 CE3 TRP A 50 18.827 -6.296 11.900 1.00 0.00 C ATOM 795 CZ2 TRP A 50 17.889 -8.960 11.914 1.00 0.00 C ATOM 796 CZ3 TRP A 50 18.581 -6.969 13.083 1.00 0.00 C ATOM 797 CH2 TRP A 50 18.113 -8.287 13.082 1.00 0.00 C ATOM 0 H TRP A 50 21.328 -6.423 8.148 1.00 0.00 H new ATOM 0 HA TRP A 50 18.990 -5.847 6.732 1.00 0.00 H new ATOM 0 HB2 TRP A 50 20.016 -4.898 9.427 1.00 0.00 H new ATOM 0 HB3 TRP A 50 18.398 -4.560 8.846 1.00 0.00 H new ATOM 0 HD1 TRP A 50 18.351 -7.733 7.508 1.00 0.00 H new ATOM 0 HE1 TRP A 50 17.677 -9.628 9.132 1.00 0.00 H new ATOM 0 HE3 TRP A 50 19.183 -5.276 11.911 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 17.534 -9.980 11.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 18.753 -6.468 14.024 1.00 0.00 H new ATOM 0 HH2 TRP A 50 17.925 -8.783 14.023 1.00 0.00 H new ATOM 808 N VAL A 51 21.024 -3.287 7.144 1.00 0.00 N ATOM 809 CA VAL A 51 21.321 -1.940 6.669 1.00 0.00 C ATOM 810 C VAL A 51 21.423 -1.919 5.146 1.00 0.00 C ATOM 811 O VAL A 51 20.798 -1.088 4.485 1.00 0.00 O ATOM 812 CB VAL A 51 22.628 -1.390 7.277 1.00 0.00 C ATOM 813 CG1 VAL A 51 22.910 0.021 6.774 1.00 0.00 C ATOM 814 CG2 VAL A 51 22.555 -1.404 8.796 1.00 0.00 C ATOM 0 H VAL A 51 21.745 -3.693 7.740 1.00 0.00 H new ATOM 0 HA VAL A 51 20.499 -1.300 6.991 1.00 0.00 H new ATOM 0 HB VAL A 51 23.447 -2.036 6.960 1.00 0.00 H new ATOM 0 HG11 VAL A 51 23.836 0.387 7.217 1.00 0.00 H new ATOM 0 HG12 VAL A 51 23.007 0.008 5.688 1.00 0.00 H new ATOM 0 HG13 VAL A 51 22.088 0.679 7.057 1.00 0.00 H new ATOM 0 HG21 VAL A 51 23.485 -1.013 9.209 1.00 0.00 H new ATOM 0 HG22 VAL A 51 21.722 -0.783 9.126 1.00 0.00 H new ATOM 0 HG23 VAL A 51 22.405 -2.426 9.144 1.00 0.00 H new ATOM 824 N ARG A 52 22.192 -2.854 4.593 1.00 0.00 N ATOM 825 CA ARG A 52 22.374 -2.937 3.147 1.00 0.00 C ATOM 826 C ARG A 52 21.050 -3.239 2.440 1.00 0.00 C ATOM 827 O ARG A 52 20.772 -2.704 1.365 1.00 0.00 O ATOM 828 CB ARG A 52 23.417 -4.000 2.786 1.00 0.00 C ATOM 829 CG ARG A 52 23.542 -4.237 1.289 1.00 0.00 C ATOM 830 CD ARG A 52 24.639 -5.234 0.957 1.00 0.00 C ATOM 831 NE ARG A 52 25.976 -4.658 1.094 1.00 0.00 N ATOM 832 CZ ARG A 52 26.735 -4.289 0.059 1.00 0.00 C ATOM 833 NH1 ARG A 52 26.276 -4.391 -1.182 1.00 0.00 N ATOM 834 NH2 ARG A 52 27.956 -3.811 0.260 1.00 0.00 N ATOM 0 H ARG A 52 22.698 -3.563 5.123 1.00 0.00 H new ATOM 0 HA ARG A 52 22.733 -1.966 2.806 1.00 0.00 H new ATOM 0 HB2 ARG A 52 24.387 -3.696 3.181 1.00 0.00 H new ATOM 0 HB3 ARG A 52 23.153 -4.938 3.274 1.00 0.00 H new ATOM 0 HG2 ARG A 52 22.591 -4.602 0.900 1.00 0.00 H new ATOM 0 HG3 ARG A 52 23.749 -3.291 0.789 1.00 0.00 H new ATOM 0 HD2 ARG A 52 24.550 -6.100 1.613 1.00 0.00 H new ATOM 0 HD3 ARG A 52 24.504 -5.593 -0.063 1.00 0.00 H new ATOM 0 HE ARG A 52 26.350 -4.531 2.034 1.00 0.00 H new ATOM 0 HH11 ARG A 52 25.337 -4.753 -1.350 1.00 0.00 H new ATOM 0 HH12 ARG A 52 26.862 -4.107 -1.967 1.00 0.00 H new ATOM 0 HH21 ARG A 52 28.320 -3.724 1.209 1.00 0.00 H new ATOM 0 HH22 ARG A 52 28.531 -3.531 -0.534 1.00 0.00 H new ATOM 848 N GLN A 53 20.230 -4.092 3.045 1.00 0.00 N ATOM 849 CA GLN A 53 18.922 -4.413 2.480 1.00 0.00 C ATOM 850 C GLN A 53 18.004 -3.200 2.511 1.00 0.00 C ATOM 851 O GLN A 53 17.137 -3.046 1.651 1.00 0.00 O ATOM 852 CB GLN A 53 18.275 -5.589 3.212 1.00 0.00 C ATOM 853 CG GLN A 53 18.757 -6.941 2.712 1.00 0.00 C ATOM 854 CD GLN A 53 18.066 -8.111 3.386 1.00 0.00 C ATOM 855 OE1 GLN A 53 16.923 -8.008 3.838 1.00 0.00 O ATOM 856 NE2 GLN A 53 18.744 -9.243 3.429 1.00 0.00 N ATOM 0 H GLN A 53 20.444 -4.571 3.920 1.00 0.00 H new ATOM 0 HA GLN A 53 19.076 -4.704 1.441 1.00 0.00 H new ATOM 0 HB2 GLN A 53 18.486 -5.506 4.278 1.00 0.00 H new ATOM 0 HB3 GLN A 53 17.193 -5.530 3.096 1.00 0.00 H new ATOM 0 HG2 GLN A 53 18.593 -7.002 1.636 1.00 0.00 H new ATOM 0 HG3 GLN A 53 19.832 -7.019 2.876 1.00 0.00 H new ATOM 0 HE21 GLN A 53 19.688 -9.287 3.044 1.00 0.00 H new ATOM 0 HE22 GLN A 53 18.324 -10.073 3.847 1.00 0.00 H new ATOM 865 N HIS A 54 18.199 -2.335 3.495 1.00 0.00 N ATOM 866 CA HIS A 54 17.437 -1.098 3.566 1.00 0.00 C ATOM 867 C HIS A 54 17.892 -0.146 2.461 1.00 0.00 C ATOM 868 O HIS A 54 17.096 0.628 1.932 1.00 0.00 O ATOM 869 CB HIS A 54 17.579 -0.440 4.944 1.00 0.00 C ATOM 870 CG HIS A 54 16.730 0.787 5.117 1.00 0.00 C ATOM 871 ND1 HIS A 54 17.254 2.030 5.402 1.00 0.00 N ATOM 872 CD2 HIS A 54 15.388 0.957 5.041 1.00 0.00 C ATOM 873 CE1 HIS A 54 16.271 2.906 5.493 1.00 0.00 C ATOM 874 NE2 HIS A 54 15.130 2.284 5.276 1.00 0.00 N ATOM 0 H HIS A 54 18.873 -2.465 4.250 1.00 0.00 H new ATOM 0 HA HIS A 54 16.382 -1.331 3.420 1.00 0.00 H new ATOM 0 HB2 HIS A 54 17.314 -1.166 5.713 1.00 0.00 H new ATOM 0 HB3 HIS A 54 18.624 -0.174 5.104 1.00 0.00 H new ATOM 0 HD2 HIS A 54 14.657 0.190 4.834 1.00 0.00 H new ATOM 0 HE1 HIS A 54 16.383 3.958 5.709 1.00 0.00 H new ATOM 0 HE2 HIS A 54 14.207 2.718 5.282 1.00 0.00 H new ATOM 883 N GLU A 55 19.173 -0.219 2.109 1.00 0.00 N ATOM 884 CA GLU A 55 19.697 0.552 0.986 1.00 0.00 C ATOM 885 C GLU A 55 19.097 0.033 -0.314 1.00 0.00 C ATOM 886 O GLU A 55 18.720 0.810 -1.191 1.00 0.00 O ATOM 887 CB GLU A 55 21.223 0.465 0.915 1.00 0.00 C ATOM 888 CG GLU A 55 21.929 0.970 2.162 1.00 0.00 C ATOM 889 CD GLU A 55 23.437 0.977 2.010 1.00 0.00 C ATOM 890 OE1 GLU A 55 24.057 -0.101 2.107 1.00 0.00 O ATOM 891 OE2 GLU A 55 24.012 2.067 1.794 1.00 0.00 O ATOM 0 H GLU A 55 19.864 -0.801 2.583 1.00 0.00 H new ATOM 0 HA GLU A 55 19.421 1.596 1.133 1.00 0.00 H new ATOM 0 HB2 GLU A 55 21.510 -0.572 0.742 1.00 0.00 H new ATOM 0 HB3 GLU A 55 21.570 1.039 0.056 1.00 0.00 H new ATOM 0 HG2 GLU A 55 21.585 1.979 2.387 1.00 0.00 H new ATOM 0 HG3 GLU A 55 21.655 0.343 3.010 1.00 0.00 H new ATOM 898 N ARG A 56 19.010 -1.292 -0.421 1.00 0.00 N ATOM 899 CA ARG A 56 18.387 -1.940 -1.571 1.00 0.00 C ATOM 900 C ARG A 56 16.924 -1.532 -1.667 1.00 0.00 C ATOM 901 O ARG A 56 16.408 -1.267 -2.751 1.00 0.00 O ATOM 902 CB ARG A 56 18.484 -3.462 -1.437 1.00 0.00 C ATOM 903 CG ARG A 56 17.976 -4.225 -2.652 1.00 0.00 C ATOM 904 CD ARG A 56 17.626 -5.664 -2.300 1.00 0.00 C ATOM 905 NE ARG A 56 16.474 -5.728 -1.399 1.00 0.00 N ATOM 906 CZ ARG A 56 16.241 -6.718 -0.541 1.00 0.00 C ATOM 907 NH1 ARG A 56 17.072 -7.749 -0.461 1.00 0.00 N ATOM 908 NH2 ARG A 56 15.166 -6.671 0.238 1.00 0.00 N ATOM 0 H ARG A 56 19.366 -1.941 0.281 1.00 0.00 H new ATOM 0 HA ARG A 56 18.911 -1.626 -2.474 1.00 0.00 H new ATOM 0 HB2 ARG A 56 19.524 -3.735 -1.258 1.00 0.00 H new ATOM 0 HB3 ARG A 56 17.917 -3.776 -0.561 1.00 0.00 H new ATOM 0 HG2 ARG A 56 17.096 -3.724 -3.056 1.00 0.00 H new ATOM 0 HG3 ARG A 56 18.736 -4.215 -3.433 1.00 0.00 H new ATOM 0 HD2 ARG A 56 17.408 -6.221 -3.212 1.00 0.00 H new ATOM 0 HD3 ARG A 56 18.484 -6.144 -1.830 1.00 0.00 H new ATOM 0 HE ARG A 56 15.803 -4.960 -1.431 1.00 0.00 H new ATOM 0 HH11 ARG A 56 17.897 -7.787 -1.060 1.00 0.00 H new ATOM 0 HH12 ARG A 56 16.886 -8.504 0.199 1.00 0.00 H new ATOM 0 HH21 ARG A 56 14.526 -5.880 0.176 1.00 0.00 H new ATOM 0 HH22 ARG A 56 14.981 -7.426 0.898 1.00 0.00 H new ATOM 922 N ASP A 57 16.272 -1.491 -0.514 1.00 0.00 N ATOM 923 CA ASP A 57 14.874 -1.090 -0.403 1.00 0.00 C ATOM 924 C ASP A 57 14.641 0.290 -1.012 1.00 0.00 C ATOM 925 O ASP A 57 13.687 0.500 -1.769 1.00 0.00 O ATOM 926 CB ASP A 57 14.474 -1.083 1.071 1.00 0.00 C ATOM 927 CG ASP A 57 13.087 -0.530 1.308 1.00 0.00 C ATOM 928 OD1 ASP A 57 12.957 0.693 1.515 1.00 0.00 O ATOM 929 OD2 ASP A 57 12.123 -1.322 1.319 1.00 0.00 O ATOM 0 H ASP A 57 16.700 -1.737 0.379 1.00 0.00 H new ATOM 0 HA ASP A 57 14.262 -1.803 -0.955 1.00 0.00 H new ATOM 0 HB2 ASP A 57 14.524 -2.100 1.459 1.00 0.00 H new ATOM 0 HB3 ASP A 57 15.196 -0.491 1.634 1.00 0.00 H new ATOM 934 N THR A 58 15.519 1.225 -0.686 1.00 0.00 N ATOM 935 CA THR A 58 15.411 2.580 -1.196 1.00 0.00 C ATOM 936 C THR A 58 15.868 2.656 -2.654 1.00 0.00 C ATOM 937 O THR A 58 15.247 3.333 -3.477 1.00 0.00 O ATOM 938 CB THR A 58 16.247 3.546 -0.337 1.00 0.00 C ATOM 939 OG1 THR A 58 15.940 3.335 1.047 1.00 0.00 O ATOM 940 CG2 THR A 58 15.964 4.995 -0.702 1.00 0.00 C ATOM 0 H THR A 58 16.316 1.069 -0.069 1.00 0.00 H new ATOM 0 HA THR A 58 14.362 2.873 -1.146 1.00 0.00 H new ATOM 0 HB THR A 58 17.302 3.347 -0.525 1.00 0.00 H new ATOM 0 HG1 THR A 58 16.345 2.495 1.348 1.00 0.00 H new ATOM 0 HG21 THR A 58 16.570 5.652 -0.078 1.00 0.00 H new ATOM 0 HG22 THR A 58 16.211 5.161 -1.751 1.00 0.00 H new ATOM 0 HG23 THR A 58 14.908 5.212 -0.539 1.00 0.00 H new ATOM 948 N GLY A 59 16.947 1.950 -2.970 1.00 0.00 N ATOM 949 CA GLY A 59 17.460 1.937 -4.325 1.00 0.00 C ATOM 950 C GLY A 59 18.660 1.028 -4.476 1.00 0.00 C ATOM 951 O GLY A 59 19.800 1.491 -4.460 1.00 0.00 O ATOM 0 H GLY A 59 17.477 1.384 -2.308 1.00 0.00 H new ATOM 0 HA2 GLY A 59 16.673 1.612 -5.006 1.00 0.00 H new ATOM 0 HA3 GLY A 59 17.736 2.950 -4.616 1.00 0.00 H new ATOM 955 N GLY A 60 18.405 -0.267 -4.613 1.00 0.00 N ATOM 956 CA GLY A 60 19.484 -1.225 -4.781 1.00 0.00 C ATOM 957 C GLY A 60 19.927 -1.323 -6.225 1.00 0.00 C ATOM 958 O GLY A 60 21.096 -1.579 -6.513 1.00 0.00 O ATOM 0 H GLY A 60 17.469 -0.673 -4.611 1.00 0.00 H new ATOM 0 HA2 GLY A 60 20.330 -0.932 -4.160 1.00 0.00 H new ATOM 0 HA3 GLY A 60 19.158 -2.205 -4.433 1.00 0.00 H new ATOM 962 N ASP A 61 18.982 -1.129 -7.128 1.00 0.00 N ATOM 963 CA ASP A 61 19.270 -1.087 -8.553 1.00 0.00 C ATOM 964 C ASP A 61 18.656 0.168 -9.149 1.00 0.00 C ATOM 965 O ASP A 61 19.366 1.132 -9.445 1.00 0.00 O ATOM 966 CB ASP A 61 18.724 -2.335 -9.252 1.00 0.00 C ATOM 967 CG ASP A 61 19.011 -2.341 -10.739 1.00 0.00 C ATOM 968 OD1 ASP A 61 20.124 -2.752 -11.128 1.00 0.00 O ATOM 969 OD2 ASP A 61 18.127 -1.946 -11.525 1.00 0.00 O ATOM 0 H ASP A 61 17.997 -0.997 -6.897 1.00 0.00 H new ATOM 0 HA ASP A 61 20.350 -1.067 -8.700 1.00 0.00 H new ATOM 0 HB2 ASP A 61 19.163 -3.223 -8.797 1.00 0.00 H new ATOM 0 HB3 ASP A 61 17.647 -2.394 -9.093 1.00 0.00 H new ATOM 974 N ASP A 62 17.330 0.146 -9.276 1.00 0.00 N ATOM 975 CA ASP A 62 16.546 1.297 -9.722 1.00 0.00 C ATOM 976 C ASP A 62 17.035 1.860 -11.056 1.00 0.00 C ATOM 977 O ASP A 62 17.930 2.708 -11.107 1.00 0.00 O ATOM 978 CB ASP A 62 16.544 2.384 -8.644 1.00 0.00 C ATOM 979 CG ASP A 62 15.804 3.631 -9.073 1.00 0.00 C ATOM 980 OD1 ASP A 62 14.584 3.550 -9.322 1.00 0.00 O ATOM 981 OD2 ASP A 62 16.443 4.701 -9.160 1.00 0.00 O ATOM 0 H ASP A 62 16.765 -0.678 -9.071 1.00 0.00 H new ATOM 0 HA ASP A 62 15.526 0.949 -9.885 1.00 0.00 H new ATOM 0 HB2 ASP A 62 16.087 1.989 -7.737 1.00 0.00 H new ATOM 0 HB3 ASP A 62 17.573 2.645 -8.395 1.00 0.00 H new ATOM 986 N GLY A 63 16.449 1.371 -12.134 1.00 0.00 N ATOM 987 CA GLY A 63 16.778 1.870 -13.453 1.00 0.00 C ATOM 988 C GLY A 63 16.824 0.763 -14.481 1.00 0.00 C ATOM 989 O GLY A 63 16.160 -0.267 -14.328 1.00 0.00 O ATOM 0 H GLY A 63 15.746 0.632 -12.121 1.00 0.00 H new ATOM 0 HA2 GLY A 63 16.040 2.614 -13.754 1.00 0.00 H new ATOM 0 HA3 GLY A 63 17.744 2.374 -13.420 1.00 0.00 H new ATOM 993 N GLY A 64 17.600 0.973 -15.533 1.00 0.00 N ATOM 994 CA GLY A 64 17.769 -0.042 -16.547 1.00 0.00 C ATOM 995 C GLY A 64 16.641 -0.049 -17.553 1.00 0.00 C ATOM 996 O GLY A 64 16.632 0.744 -18.495 1.00 0.00 O ATOM 0 H GLY A 64 18.118 1.835 -15.702 1.00 0.00 H new ATOM 0 HA2 GLY A 64 18.713 0.121 -17.066 1.00 0.00 H new ATOM 0 HA3 GLY A 64 17.832 -1.020 -16.070 1.00 0.00 H new ATOM 1000 N LEU A 65 15.676 -0.932 -17.343 1.00 0.00 N ATOM 1001 CA LEU A 65 14.576 -1.095 -18.285 1.00 0.00 C ATOM 1002 C LEU A 65 13.262 -0.578 -17.707 1.00 0.00 C ATOM 1003 O LEU A 65 12.255 -0.522 -18.408 1.00 0.00 O ATOM 1004 CB LEU A 65 14.421 -2.567 -18.703 1.00 0.00 C ATOM 1005 CG LEU A 65 13.863 -3.524 -17.639 1.00 0.00 C ATOM 1006 CD1 LEU A 65 13.468 -4.846 -18.279 1.00 0.00 C ATOM 1007 CD2 LEU A 65 14.880 -3.763 -16.529 1.00 0.00 C ATOM 0 H LEU A 65 15.631 -1.546 -16.530 1.00 0.00 H new ATOM 0 HA LEU A 65 14.819 -0.502 -19.167 1.00 0.00 H new ATOM 0 HB2 LEU A 65 13.768 -2.608 -19.575 1.00 0.00 H new ATOM 0 HB3 LEU A 65 15.397 -2.937 -19.018 1.00 0.00 H new ATOM 0 HG LEU A 65 12.980 -3.062 -17.198 1.00 0.00 H new ATOM 0 HD11 LEU A 65 13.074 -5.517 -17.515 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.704 -4.670 -19.036 1.00 0.00 H new ATOM 0 HD13 LEU A 65 14.343 -5.301 -18.745 1.00 0.00 H new ATOM 0 HD21 LEU A 65 14.458 -4.444 -15.790 1.00 0.00 H new ATOM 0 HD22 LEU A 65 15.784 -4.201 -16.952 1.00 0.00 H new ATOM 0 HD23 LEU A 65 15.126 -2.815 -16.050 1.00 0.00 H new ATOM 1019 N THR A 66 13.268 -0.200 -16.433 1.00 0.00 N ATOM 1020 CA THR A 66 12.053 0.285 -15.790 1.00 0.00 C ATOM 1021 C THR A 66 11.840 1.769 -16.088 1.00 0.00 C ATOM 1022 O THR A 66 10.709 2.260 -16.092 1.00 0.00 O ATOM 1023 CB THR A 66 12.080 0.048 -14.261 1.00 0.00 C ATOM 1024 OG1 THR A 66 10.829 0.433 -13.678 1.00 0.00 O ATOM 1025 CG2 THR A 66 13.206 0.828 -13.598 1.00 0.00 C ATOM 0 H THR A 66 14.091 -0.220 -15.831 1.00 0.00 H new ATOM 0 HA THR A 66 11.219 -0.283 -16.202 1.00 0.00 H new ATOM 0 HB THR A 66 12.251 -1.016 -14.095 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.857 0.277 -12.711 1.00 0.00 H new ATOM 0 HG21 THR A 66 13.197 0.639 -12.525 1.00 0.00 H new ATOM 0 HG22 THR A 66 14.162 0.511 -14.014 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.067 1.894 -13.780 1.00 0.00 H new ATOM 1033 N THR A 67 12.930 2.470 -16.363 1.00 0.00 N ATOM 1034 CA THR A 67 12.875 3.882 -16.678 1.00 0.00 C ATOM 1035 C THR A 67 12.668 4.094 -18.175 1.00 0.00 C ATOM 1036 O THR A 67 13.618 4.086 -18.960 1.00 0.00 O ATOM 1037 CB THR A 67 14.159 4.584 -16.208 1.00 0.00 C ATOM 1038 OG1 THR A 67 15.278 3.692 -16.348 1.00 0.00 O ATOM 1039 CG2 THR A 67 14.032 5.023 -14.760 1.00 0.00 C ATOM 0 H THR A 67 13.870 2.075 -16.373 1.00 0.00 H new ATOM 0 HA THR A 67 12.026 4.319 -16.152 1.00 0.00 H new ATOM 0 HB THR A 67 14.317 5.468 -16.826 1.00 0.00 H new ATOM 0 HG1 THR A 67 16.095 4.143 -16.049 1.00 0.00 H new ATOM 0 HG21 THR A 67 14.952 5.518 -14.448 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.196 5.716 -14.662 1.00 0.00 H new ATOM 0 HG23 THR A 67 13.857 4.151 -14.130 1.00 0.00 H new ATOM 1047 N ALA A 68 11.415 4.262 -18.571 1.00 0.00 N ATOM 1048 CA ALA A 68 11.072 4.379 -19.981 1.00 0.00 C ATOM 1049 C ALA A 68 10.966 5.836 -20.422 1.00 0.00 C ATOM 1050 O ALA A 68 9.871 6.398 -20.485 1.00 0.00 O ATOM 1051 CB ALA A 68 9.776 3.638 -20.270 1.00 0.00 C ATOM 0 H ALA A 68 10.619 4.320 -17.936 1.00 0.00 H new ATOM 0 HA ALA A 68 11.878 3.924 -20.556 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.531 3.733 -21.328 1.00 0.00 H new ATOM 0 HB2 ALA A 68 9.896 2.584 -20.019 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.972 4.065 -19.671 1.00 0.00 H new ATOM 1057 N GLU A 69 12.115 6.444 -20.703 1.00 0.00 N ATOM 1058 CA GLU A 69 12.174 7.801 -21.242 1.00 0.00 C ATOM 1059 C GLU A 69 13.618 8.186 -21.533 1.00 0.00 C ATOM 1060 O GLU A 69 14.497 7.994 -20.690 1.00 0.00 O ATOM 1061 CB GLU A 69 11.570 8.819 -20.267 1.00 0.00 C ATOM 1062 CG GLU A 69 11.537 10.237 -20.820 1.00 0.00 C ATOM 1063 CD GLU A 69 11.096 11.260 -19.795 1.00 0.00 C ATOM 1064 OE1 GLU A 69 11.957 11.762 -19.043 1.00 0.00 O ATOM 1065 OE2 GLU A 69 9.892 11.570 -19.736 1.00 0.00 O ATOM 0 H GLU A 69 13.029 6.013 -20.564 1.00 0.00 H new ATOM 0 HA GLU A 69 11.592 7.815 -22.163 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.555 8.511 -20.014 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.146 8.811 -19.341 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.529 10.502 -21.186 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.862 10.272 -21.675 1.00 0.00 H new ATOM 1072 N ARG A 70 13.864 8.699 -22.729 1.00 0.00 N ATOM 1073 CA ARG A 70 15.174 9.236 -23.074 1.00 0.00 C ATOM 1074 C ARG A 70 15.029 10.662 -23.589 1.00 0.00 C ATOM 1075 O ARG A 70 15.558 11.605 -22.999 1.00 0.00 O ATOM 1076 CB ARG A 70 15.883 8.363 -24.118 1.00 0.00 C ATOM 1077 CG ARG A 70 16.132 6.937 -23.654 1.00 0.00 C ATOM 1078 CD ARG A 70 17.108 6.209 -24.569 1.00 0.00 C ATOM 1079 NE ARG A 70 16.637 6.141 -25.954 1.00 0.00 N ATOM 1080 CZ ARG A 70 17.306 5.547 -26.942 1.00 0.00 C ATOM 1081 NH1 ARG A 70 18.469 4.945 -26.706 1.00 0.00 N ATOM 1082 NH2 ARG A 70 16.814 5.556 -28.171 1.00 0.00 N ATOM 0 H ARG A 70 13.174 8.755 -23.478 1.00 0.00 H new ATOM 0 HA ARG A 70 15.787 9.237 -22.173 1.00 0.00 H new ATOM 0 HB2 ARG A 70 15.283 8.340 -25.028 1.00 0.00 H new ATOM 0 HB3 ARG A 70 16.837 8.823 -24.377 1.00 0.00 H new ATOM 0 HG2 ARG A 70 16.526 6.949 -22.638 1.00 0.00 H new ATOM 0 HG3 ARG A 70 15.187 6.394 -23.624 1.00 0.00 H new ATOM 0 HD2 ARG A 70 18.073 6.715 -24.542 1.00 0.00 H new ATOM 0 HD3 ARG A 70 17.268 5.198 -24.193 1.00 0.00 H new ATOM 0 HE ARG A 70 15.741 6.575 -26.176 1.00 0.00 H new ATOM 0 HH11 ARG A 70 18.856 4.935 -25.762 1.00 0.00 H new ATOM 0 HH12 ARG A 70 18.973 4.493 -27.469 1.00 0.00 H new ATOM 0 HH21 ARG A 70 15.924 6.017 -28.361 1.00 0.00 H new ATOM 0 HH22 ARG A 70 17.325 5.102 -28.928 1.00 0.00 H new ATOM 1096 N GLN A 71 14.287 10.821 -24.679 1.00 0.00 N ATOM 1097 CA GLN A 71 14.048 12.137 -25.256 1.00 0.00 C ATOM 1098 C GLN A 71 12.579 12.294 -25.625 1.00 0.00 C ATOM 1099 O GLN A 71 12.043 11.522 -26.425 1.00 0.00 O ATOM 1100 CB GLN A 71 14.923 12.368 -26.493 1.00 0.00 C ATOM 1101 CG GLN A 71 16.416 12.387 -26.203 1.00 0.00 C ATOM 1102 CD GLN A 71 17.236 12.784 -27.417 1.00 0.00 C ATOM 1103 OE1 GLN A 71 17.634 11.936 -28.216 1.00 0.00 O ATOM 1104 NE2 GLN A 71 17.496 14.073 -27.555 1.00 0.00 N ATOM 0 H GLN A 71 13.840 10.053 -25.181 1.00 0.00 H new ATOM 0 HA GLN A 71 14.312 12.883 -24.506 1.00 0.00 H new ATOM 0 HB2 GLN A 71 14.715 11.585 -27.223 1.00 0.00 H new ATOM 0 HB3 GLN A 71 14.641 13.315 -26.953 1.00 0.00 H new ATOM 0 HG2 GLN A 71 16.616 13.084 -25.389 1.00 0.00 H new ATOM 0 HG3 GLN A 71 16.730 11.400 -25.863 1.00 0.00 H new ATOM 0 HE21 GLN A 71 17.145 14.740 -26.868 1.00 0.00 H new ATOM 0 HE22 GLN A 71 18.047 14.400 -28.349 1.00 0.00 H new ATOM 1113 N ARG A 72 11.930 13.293 -25.045 1.00 0.00 N ATOM 1114 CA ARG A 72 10.511 13.525 -25.283 1.00 0.00 C ATOM 1115 C ARG A 72 10.285 14.304 -26.576 1.00 0.00 C ATOM 1116 O ARG A 72 10.024 15.508 -26.558 1.00 0.00 O ATOM 1117 CB ARG A 72 9.868 14.259 -24.102 1.00 0.00 C ATOM 1118 CG ARG A 72 9.955 13.497 -22.791 1.00 0.00 C ATOM 1119 CD ARG A 72 9.102 14.139 -21.706 1.00 0.00 C ATOM 1120 NE ARG A 72 9.544 15.494 -21.368 1.00 0.00 N ATOM 1121 CZ ARG A 72 8.887 16.306 -20.536 1.00 0.00 C ATOM 1122 NH1 ARG A 72 7.761 15.899 -19.960 1.00 0.00 N ATOM 1123 NH2 ARG A 72 9.354 17.522 -20.280 1.00 0.00 N ATOM 0 H ARG A 72 12.364 13.958 -24.405 1.00 0.00 H new ATOM 0 HA ARG A 72 10.034 12.550 -25.385 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.351 15.229 -23.981 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.820 14.451 -24.332 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.631 12.468 -22.947 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.993 13.458 -22.462 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.064 14.172 -22.037 1.00 0.00 H new ATOM 0 HD3 ARG A 72 9.132 13.518 -20.811 1.00 0.00 H new ATOM 0 HE ARG A 72 10.405 15.838 -21.793 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.398 14.966 -20.153 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.260 16.520 -19.325 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.218 17.839 -20.719 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.849 18.139 -19.644 1.00 0.00 H new ATOM 1137 N LEU A 73 10.421 13.602 -27.696 1.00 0.00 N ATOM 1138 CA LEU A 73 10.157 14.167 -29.016 1.00 0.00 C ATOM 1139 C LEU A 73 10.090 13.046 -30.042 1.00 0.00 C ATOM 1140 O LEU A 73 9.042 12.774 -30.619 1.00 0.00 O ATOM 1141 CB LEU A 73 11.235 15.181 -29.413 1.00 0.00 C ATOM 1142 CG LEU A 73 11.006 15.871 -30.761 1.00 0.00 C ATOM 1143 CD1 LEU A 73 9.669 16.593 -30.768 1.00 0.00 C ATOM 1144 CD2 LEU A 73 12.133 16.844 -31.059 1.00 0.00 C ATOM 0 H LEU A 73 10.717 12.626 -27.715 1.00 0.00 H new ATOM 0 HA LEU A 73 9.202 14.692 -28.983 1.00 0.00 H new ATOM 0 HB2 LEU A 73 11.299 15.944 -28.637 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.199 14.673 -29.441 1.00 0.00 H new ATOM 0 HG LEU A 73 10.992 15.108 -31.540 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.522 17.078 -31.733 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.867 15.875 -30.597 1.00 0.00 H new ATOM 0 HD13 LEU A 73 9.657 17.345 -29.979 1.00 0.00 H new ATOM 0 HD21 LEU A 73 11.954 17.325 -32.021 1.00 0.00 H new ATOM 0 HD22 LEU A 73 12.176 17.602 -30.277 1.00 0.00 H new ATOM 0 HD23 LEU A 73 13.080 16.305 -31.094 1.00 0.00 H new ATOM 1156 N LYS A 74 11.215 12.381 -30.255 1.00 0.00 N ATOM 1157 CA LYS A 74 11.249 11.205 -31.111 1.00 0.00 C ATOM 1158 C LYS A 74 11.091 9.956 -30.253 1.00 0.00 C ATOM 1159 O LYS A 74 11.702 8.916 -30.502 1.00 0.00 O ATOM 1160 CB LYS A 74 12.546 11.169 -31.931 1.00 0.00 C ATOM 1161 CG LYS A 74 13.815 11.369 -31.113 1.00 0.00 C ATOM 1162 CD LYS A 74 15.024 11.555 -32.018 1.00 0.00 C ATOM 1163 CE LYS A 74 16.289 11.838 -31.224 1.00 0.00 C ATOM 1164 NZ LYS A 74 17.441 12.156 -32.109 1.00 0.00 N ATOM 0 H LYS A 74 12.115 12.635 -29.848 1.00 0.00 H new ATOM 0 HA LYS A 74 10.423 11.245 -31.821 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.608 10.211 -32.447 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.498 11.942 -32.698 1.00 0.00 H new ATOM 0 HG2 LYS A 74 13.702 12.240 -30.467 1.00 0.00 H new ATOM 0 HG3 LYS A 74 13.972 10.508 -30.463 1.00 0.00 H new ATOM 0 HD2 LYS A 74 15.167 10.658 -32.621 1.00 0.00 H new ATOM 0 HD3 LYS A 74 14.837 12.377 -32.709 1.00 0.00 H new ATOM 0 HE2 LYS A 74 16.112 12.672 -30.545 1.00 0.00 H new ATOM 0 HE3 LYS A 74 16.532 10.972 -30.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 18.284 12.343 -31.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 17.627 11.350 -32.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 17.219 12.998 -32.678 1.00 0.00 H new ATOM 1178 N GLU A 75 10.213 10.080 -29.264 1.00 0.00 N ATOM 1179 CA GLU A 75 9.974 9.043 -28.267 1.00 0.00 C ATOM 1180 C GLU A 75 9.386 7.759 -28.876 1.00 0.00 C ATOM 1181 O GLU A 75 9.902 6.676 -28.604 1.00 0.00 O ATOM 1182 CB GLU A 75 9.070 9.606 -27.157 1.00 0.00 C ATOM 1183 CG GLU A 75 8.614 8.591 -26.120 1.00 0.00 C ATOM 1184 CD GLU A 75 7.264 7.985 -26.452 1.00 0.00 C ATOM 1185 OE1 GLU A 75 6.253 8.711 -26.373 1.00 0.00 O ATOM 1186 OE2 GLU A 75 7.207 6.786 -26.793 1.00 0.00 O ATOM 0 H GLU A 75 9.640 10.913 -29.130 1.00 0.00 H new ATOM 0 HA GLU A 75 10.935 8.754 -27.840 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.603 10.408 -26.647 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.189 10.052 -27.618 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.356 7.796 -26.044 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.562 9.073 -25.144 1.00 0.00 H new ATOM 1193 N PRO A 76 8.315 7.842 -29.710 1.00 0.00 N ATOM 1194 CA PRO A 76 7.689 6.649 -30.308 1.00 0.00 C ATOM 1195 C PRO A 76 8.626 5.888 -31.249 1.00 0.00 C ATOM 1196 O PRO A 76 8.313 4.773 -31.672 1.00 0.00 O ATOM 1197 CB PRO A 76 6.493 7.209 -31.088 1.00 0.00 C ATOM 1198 CG PRO A 76 6.252 8.556 -30.509 1.00 0.00 C ATOM 1199 CD PRO A 76 7.602 9.070 -30.109 1.00 0.00 C ATOM 0 HA PRO A 76 7.414 5.925 -29.541 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.711 7.271 -32.154 1.00 0.00 H new ATOM 0 HB3 PRO A 76 5.617 6.570 -30.979 1.00 0.00 H new ATOM 0 HG2 PRO A 76 5.781 9.217 -31.237 1.00 0.00 H new ATOM 0 HG3 PRO A 76 5.584 8.500 -29.650 1.00 0.00 H new ATOM 0 HD2 PRO A 76 8.102 9.578 -30.934 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.536 9.784 -29.288 1.00 0.00 H new ATOM 1207 N GLU A 77 9.766 6.509 -31.566 1.00 0.00 N ATOM 1208 CA GLU A 77 10.793 5.913 -32.424 1.00 0.00 C ATOM 1209 C GLU A 77 10.288 5.716 -33.848 1.00 0.00 C ATOM 1210 O GLU A 77 9.407 4.900 -34.102 1.00 0.00 O ATOM 1211 CB GLU A 77 11.280 4.576 -31.856 1.00 0.00 C ATOM 1212 CG GLU A 77 11.828 4.678 -30.444 1.00 0.00 C ATOM 1213 CD GLU A 77 12.403 3.370 -29.952 1.00 0.00 C ATOM 1214 OE1 GLU A 77 11.647 2.548 -29.387 1.00 0.00 O ATOM 1215 OE2 GLU A 77 13.621 3.154 -30.125 1.00 0.00 O ATOM 0 H GLU A 77 10.003 7.443 -31.233 1.00 0.00 H new ATOM 0 HA GLU A 77 11.630 6.610 -32.450 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.454 3.865 -31.866 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.055 4.174 -32.509 1.00 0.00 H new ATOM 0 HG2 GLU A 77 12.601 5.446 -30.412 1.00 0.00 H new ATOM 0 HG3 GLU A 77 11.033 4.998 -29.771 1.00 0.00 H new ATOM 1222 N ARG A 78 10.852 6.463 -34.781 1.00 0.00 N ATOM 1223 CA ARG A 78 10.466 6.334 -36.176 1.00 0.00 C ATOM 1224 C ARG A 78 11.559 5.631 -36.971 1.00 0.00 C ATOM 1225 O ARG A 78 11.516 5.577 -38.201 1.00 0.00 O ATOM 1226 CB ARG A 78 10.143 7.702 -36.779 1.00 0.00 C ATOM 1227 CG ARG A 78 11.258 8.724 -36.640 1.00 0.00 C ATOM 1228 CD ARG A 78 10.858 10.047 -37.268 1.00 0.00 C ATOM 1229 NE ARG A 78 10.563 9.897 -38.691 1.00 0.00 N ATOM 1230 CZ ARG A 78 9.559 10.506 -39.317 1.00 0.00 C ATOM 1231 NH1 ARG A 78 8.748 11.320 -38.650 1.00 0.00 N ATOM 1232 NH2 ARG A 78 9.367 10.298 -40.614 1.00 0.00 N ATOM 0 H ARG A 78 11.574 7.161 -34.600 1.00 0.00 H new ATOM 0 HA ARG A 78 9.564 5.724 -36.227 1.00 0.00 H new ATOM 0 HB2 ARG A 78 9.912 7.575 -37.837 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.245 8.094 -36.302 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.492 8.873 -35.586 1.00 0.00 H new ATOM 0 HG3 ARG A 78 12.163 8.349 -37.117 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.983 10.445 -36.754 1.00 0.00 H new ATOM 0 HD3 ARG A 78 11.662 10.771 -37.136 1.00 0.00 H new ATOM 0 HE ARG A 78 11.166 9.285 -39.241 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.893 11.481 -37.653 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.980 11.784 -39.135 1.00 0.00 H new ATOM 0 HH21 ARG A 78 9.988 9.673 -41.128 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.598 10.763 -41.097 1.00 0.00 H new ATOM 1246 N GLU A 79 12.536 5.090 -36.254 1.00 0.00 N ATOM 1247 CA GLU A 79 13.575 4.280 -36.868 1.00 0.00 C ATOM 1248 C GLU A 79 13.011 2.906 -37.209 1.00 0.00 C ATOM 1249 O GLU A 79 13.009 1.998 -36.376 1.00 0.00 O ATOM 1250 CB GLU A 79 14.795 4.129 -35.947 1.00 0.00 C ATOM 1251 CG GLU A 79 15.578 5.417 -35.712 1.00 0.00 C ATOM 1252 CD GLU A 79 14.865 6.398 -34.808 1.00 0.00 C ATOM 1253 OE1 GLU A 79 14.895 6.200 -33.574 1.00 0.00 O ATOM 1254 OE2 GLU A 79 14.274 7.372 -35.323 1.00 0.00 O ATOM 0 H GLU A 79 12.629 5.199 -35.244 1.00 0.00 H new ATOM 0 HA GLU A 79 13.906 4.784 -37.776 1.00 0.00 H new ATOM 0 HB2 GLU A 79 14.461 3.742 -34.984 1.00 0.00 H new ATOM 0 HB3 GLU A 79 15.466 3.384 -36.375 1.00 0.00 H new ATOM 0 HG2 GLU A 79 16.546 5.170 -35.276 1.00 0.00 H new ATOM 0 HG3 GLU A 79 15.773 5.895 -36.672 1.00 0.00 H new ATOM 1261 N ASN A 80 12.517 2.766 -38.429 1.00 0.00 N ATOM 1262 CA ASN A 80 11.892 1.522 -38.869 1.00 0.00 C ATOM 1263 C ASN A 80 12.947 0.534 -39.363 1.00 0.00 C ATOM 1264 O ASN A 80 12.628 -0.506 -39.946 1.00 0.00 O ATOM 1265 CB ASN A 80 10.871 1.807 -39.977 1.00 0.00 C ATOM 1266 CG ASN A 80 11.525 2.225 -41.281 1.00 0.00 C ATOM 1267 OD1 ASN A 80 11.890 3.386 -41.462 1.00 0.00 O ATOM 1268 ND2 ASN A 80 11.649 1.288 -42.207 1.00 0.00 N ATOM 0 H ASN A 80 12.536 3.500 -39.137 1.00 0.00 H new ATOM 0 HA ASN A 80 11.375 1.076 -38.019 1.00 0.00 H new ATOM 0 HB2 ASN A 80 10.267 0.916 -40.147 1.00 0.00 H new ATOM 0 HB3 ASN A 80 10.192 2.594 -39.647 1.00 0.00 H new ATOM 0 HD21 ASN A 80 12.060 1.517 -43.112 1.00 0.00 H new ATOM 0 HD22 ASN A 80 11.333 0.337 -42.016 1.00 0.00 H new ATOM 1275 N ARG A 81 14.204 0.869 -39.124 1.00 0.00 N ATOM 1276 CA ARG A 81 15.312 0.017 -39.503 1.00 0.00 C ATOM 1277 C ARG A 81 16.159 -0.272 -38.270 1.00 0.00 C ATOM 1278 O ARG A 81 16.278 0.578 -37.386 1.00 0.00 O ATOM 1279 CB ARG A 81 16.155 0.704 -40.578 1.00 0.00 C ATOM 1280 CG ARG A 81 17.015 -0.253 -41.387 1.00 0.00 C ATOM 1281 CD ARG A 81 16.154 -1.207 -42.200 1.00 0.00 C ATOM 1282 NE ARG A 81 16.944 -2.043 -43.100 1.00 0.00 N ATOM 1283 CZ ARG A 81 16.420 -2.922 -43.949 1.00 0.00 C ATOM 1284 NH1 ARG A 81 15.099 -3.078 -44.022 1.00 0.00 N ATOM 1285 NH2 ARG A 81 17.219 -3.639 -44.730 1.00 0.00 N ATOM 0 H ARG A 81 14.481 1.736 -38.664 1.00 0.00 H new ATOM 0 HA ARG A 81 14.934 -0.921 -39.910 1.00 0.00 H new ATOM 0 HB2 ARG A 81 15.493 1.244 -41.255 1.00 0.00 H new ATOM 0 HB3 ARG A 81 16.799 1.444 -40.104 1.00 0.00 H new ATOM 0 HG2 ARG A 81 17.666 0.313 -42.054 1.00 0.00 H new ATOM 0 HG3 ARG A 81 17.661 -0.821 -40.718 1.00 0.00 H new ATOM 0 HD2 ARG A 81 15.585 -1.844 -41.523 1.00 0.00 H new ATOM 0 HD3 ARG A 81 15.432 -0.634 -42.782 1.00 0.00 H new ATOM 0 HE ARG A 81 17.959 -1.947 -43.076 1.00 0.00 H new ATOM 0 HH11 ARG A 81 14.486 -2.522 -43.425 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.700 -3.753 -44.674 1.00 0.00 H new ATOM 0 HH21 ARG A 81 18.230 -3.514 -44.677 1.00 0.00 H new ATOM 0 HH22 ARG A 81 16.822 -4.315 -45.383 1.00 0.00 H new ATOM 1299 N GLU A 82 16.721 -1.470 -38.196 1.00 0.00 N ATOM 1300 CA GLU A 82 17.549 -1.849 -37.057 1.00 0.00 C ATOM 1301 C GLU A 82 18.908 -1.154 -37.107 1.00 0.00 C ATOM 1302 O GLU A 82 19.235 -0.473 -38.083 1.00 0.00 O ATOM 1303 CB GLU A 82 17.734 -3.367 -37.009 1.00 0.00 C ATOM 1304 CG GLU A 82 18.391 -3.951 -38.249 1.00 0.00 C ATOM 1305 CD GLU A 82 18.520 -5.457 -38.179 1.00 0.00 C ATOM 1306 OE1 GLU A 82 17.561 -6.160 -38.560 1.00 0.00 O ATOM 1307 OE2 GLU A 82 19.583 -5.947 -37.747 1.00 0.00 O ATOM 0 H GLU A 82 16.620 -2.194 -38.907 1.00 0.00 H new ATOM 0 HA GLU A 82 17.036 -1.528 -36.151 1.00 0.00 H new ATOM 0 HB2 GLU A 82 18.337 -3.621 -36.137 1.00 0.00 H new ATOM 0 HB3 GLU A 82 16.760 -3.837 -36.871 1.00 0.00 H new ATOM 0 HG2 GLU A 82 17.807 -3.680 -39.128 1.00 0.00 H new ATOM 0 HG3 GLU A 82 19.380 -3.510 -38.375 1.00 0.00 H new ATOM 1314 N LEU A 83 19.688 -1.327 -36.047 1.00 0.00 N ATOM 1315 CA LEU A 83 21.012 -0.726 -35.962 1.00 0.00 C ATOM 1316 C LEU A 83 21.992 -1.482 -36.853 1.00 0.00 C ATOM 1317 O LEU A 83 21.655 -2.528 -37.406 1.00 0.00 O ATOM 1318 CB LEU A 83 21.525 -0.712 -34.513 1.00 0.00 C ATOM 1319 CG LEU A 83 20.823 0.268 -33.559 1.00 0.00 C ATOM 1320 CD1 LEU A 83 19.415 -0.204 -33.216 1.00 0.00 C ATOM 1321 CD2 LEU A 83 21.647 0.456 -32.292 1.00 0.00 C ATOM 0 H LEU A 83 19.425 -1.881 -35.232 1.00 0.00 H new ATOM 0 HA LEU A 83 20.935 0.305 -36.306 1.00 0.00 H new ATOM 0 HB2 LEU A 83 21.428 -1.718 -34.105 1.00 0.00 H new ATOM 0 HB3 LEU A 83 22.589 -0.475 -34.527 1.00 0.00 H new ATOM 0 HG LEU A 83 20.737 1.228 -34.068 1.00 0.00 H new ATOM 0 HD11 LEU A 83 18.946 0.511 -32.540 1.00 0.00 H new ATOM 0 HD12 LEU A 83 18.825 -0.281 -34.129 1.00 0.00 H new ATOM 0 HD13 LEU A 83 19.466 -1.180 -32.733 1.00 0.00 H new ATOM 0 HD21 LEU A 83 21.137 1.153 -31.626 1.00 0.00 H new ATOM 0 HD22 LEU A 83 21.767 -0.504 -31.790 1.00 0.00 H new ATOM 0 HD23 LEU A 83 22.628 0.854 -32.552 1.00 0.00 H new ATOM 1333 N ARG A 84 23.200 -0.959 -36.984 1.00 0.00 N ATOM 1334 CA ARG A 84 24.194 -1.550 -37.869 1.00 0.00 C ATOM 1335 C ARG A 84 25.603 -1.236 -37.384 1.00 0.00 C ATOM 1336 O ARG A 84 25.789 -0.443 -36.463 1.00 0.00 O ATOM 1337 CB ARG A 84 24.017 -1.003 -39.287 1.00 0.00 C ATOM 1338 CG ARG A 84 24.259 0.495 -39.377 1.00 0.00 C ATOM 1339 CD ARG A 84 23.942 1.044 -40.757 1.00 0.00 C ATOM 1340 NE ARG A 84 22.563 0.765 -41.152 1.00 0.00 N ATOM 1341 CZ ARG A 84 21.511 1.487 -40.766 1.00 0.00 C ATOM 1342 NH1 ARG A 84 21.670 2.535 -39.964 1.00 0.00 N ATOM 1343 NH2 ARG A 84 20.296 1.155 -41.178 1.00 0.00 N ATOM 0 H ARG A 84 23.518 -0.126 -36.489 1.00 0.00 H new ATOM 0 HA ARG A 84 24.052 -2.631 -37.868 1.00 0.00 H new ATOM 0 HB2 ARG A 84 24.704 -1.518 -39.958 1.00 0.00 H new ATOM 0 HB3 ARG A 84 23.007 -1.224 -39.633 1.00 0.00 H new ATOM 0 HG2 ARG A 84 23.646 1.006 -38.635 1.00 0.00 H new ATOM 0 HG3 ARG A 84 25.300 0.709 -39.133 1.00 0.00 H new ATOM 0 HD2 ARG A 84 24.111 2.121 -40.767 1.00 0.00 H new ATOM 0 HD3 ARG A 84 24.624 0.607 -41.487 1.00 0.00 H new ATOM 0 HE ARG A 84 22.394 -0.034 -41.763 1.00 0.00 H new ATOM 0 HH11 ARG A 84 22.602 2.792 -39.639 1.00 0.00 H new ATOM 0 HH12 ARG A 84 20.860 3.082 -39.673 1.00 0.00 H new ATOM 0 HH21 ARG A 84 20.167 0.349 -41.789 1.00 0.00 H new ATOM 0 HH22 ARG A 84 19.490 1.706 -40.884 1.00 0.00 H new ATOM 1357 N ARG A 85 26.586 -1.867 -38.007 1.00 0.00 N ATOM 1358 CA ARG A 85 27.980 -1.522 -37.795 1.00 0.00 C ATOM 1359 C ARG A 85 28.555 -1.031 -39.113 1.00 0.00 C ATOM 1360 O ARG A 85 29.108 -1.815 -39.880 1.00 0.00 O ATOM 1361 CB ARG A 85 28.775 -2.730 -37.297 1.00 0.00 C ATOM 1362 CG ARG A 85 30.198 -2.392 -36.883 1.00 0.00 C ATOM 1363 CD ARG A 85 31.056 -3.639 -36.720 1.00 0.00 C ATOM 1364 NE ARG A 85 30.495 -4.586 -35.765 1.00 0.00 N ATOM 1365 CZ ARG A 85 31.131 -4.999 -34.672 1.00 0.00 C ATOM 1366 NH1 ARG A 85 32.308 -4.476 -34.349 1.00 0.00 N ATOM 1367 NH2 ARG A 85 30.581 -5.925 -33.897 1.00 0.00 N ATOM 0 H ARG A 85 26.440 -2.628 -38.670 1.00 0.00 H new ATOM 0 HA ARG A 85 28.049 -0.744 -37.035 1.00 0.00 H new ATOM 0 HB2 ARG A 85 28.254 -3.173 -36.448 1.00 0.00 H new ATOM 0 HB3 ARG A 85 28.803 -3.485 -38.083 1.00 0.00 H new ATOM 0 HG2 ARG A 85 30.647 -1.738 -37.630 1.00 0.00 H new ATOM 0 HG3 ARG A 85 30.181 -1.839 -35.944 1.00 0.00 H new ATOM 0 HD2 ARG A 85 31.167 -4.128 -37.688 1.00 0.00 H new ATOM 0 HD3 ARG A 85 32.054 -3.348 -36.393 1.00 0.00 H new ATOM 0 HE ARG A 85 29.561 -4.953 -35.945 1.00 0.00 H new ATOM 0 HH11 ARG A 85 32.726 -3.757 -34.939 1.00 0.00 H new ATOM 0 HH12 ARG A 85 32.794 -4.794 -33.511 1.00 0.00 H new ATOM 0 HH21 ARG A 85 29.672 -6.319 -34.140 1.00 0.00 H new ATOM 0 HH22 ARG A 85 31.067 -6.243 -33.059 1.00 0.00 H new ATOM 1381 N SER A 86 28.380 0.257 -39.384 1.00 0.00 N ATOM 1382 CA SER A 86 28.757 0.842 -40.665 1.00 0.00 C ATOM 1383 C SER A 86 30.207 0.526 -41.029 1.00 0.00 C ATOM 1384 O SER A 86 31.144 1.025 -40.405 1.00 0.00 O ATOM 1385 CB SER A 86 28.545 2.354 -40.625 1.00 0.00 C ATOM 1386 OG SER A 86 27.209 2.672 -40.268 1.00 0.00 O ATOM 0 H SER A 86 27.975 0.922 -38.726 1.00 0.00 H new ATOM 0 HA SER A 86 28.121 0.402 -41.433 1.00 0.00 H new ATOM 0 HB2 SER A 86 29.233 2.802 -39.908 1.00 0.00 H new ATOM 0 HB3 SER A 86 28.776 2.783 -41.600 1.00 0.00 H new ATOM 0 HG SER A 86 27.099 3.646 -40.248 1.00 0.00 H new ATOM 1392 N ASN A 87 30.378 -0.328 -42.029 1.00 0.00 N ATOM 1393 CA ASN A 87 31.697 -0.679 -42.527 1.00 0.00 C ATOM 1394 C ASN A 87 31.623 -0.853 -44.036 1.00 0.00 C ATOM 1395 O ASN A 87 30.621 -1.338 -44.566 1.00 0.00 O ATOM 1396 CB ASN A 87 32.221 -1.956 -41.850 1.00 0.00 C ATOM 1397 CG ASN A 87 31.473 -3.212 -42.263 1.00 0.00 C ATOM 1398 OD1 ASN A 87 31.861 -3.906 -43.201 1.00 0.00 O ATOM 1399 ND2 ASN A 87 30.391 -3.512 -41.565 1.00 0.00 N ATOM 0 H ASN A 87 29.611 -0.793 -42.514 1.00 0.00 H new ATOM 0 HA ASN A 87 32.398 0.121 -42.289 1.00 0.00 H new ATOM 0 HB2 ASN A 87 33.278 -2.077 -42.089 1.00 0.00 H new ATOM 0 HB3 ASN A 87 32.150 -1.840 -40.769 1.00 0.00 H new ATOM 0 HD21 ASN A 87 29.848 -4.343 -41.798 1.00 0.00 H new ATOM 0 HD22 ASN A 87 30.100 -2.912 -40.793 1.00 0.00 H new ATOM 1406 N ASP A 88 32.663 -0.430 -44.730 1.00 0.00 N ATOM 1407 CA ASP A 88 32.654 -0.455 -46.182 1.00 0.00 C ATOM 1408 C ASP A 88 33.549 -1.560 -46.714 1.00 0.00 C ATOM 1409 O ASP A 88 34.763 -1.389 -46.842 1.00 0.00 O ATOM 1410 CB ASP A 88 33.095 0.896 -46.752 1.00 0.00 C ATOM 1411 CG ASP A 88 32.220 2.035 -46.275 1.00 0.00 C ATOM 1412 OD1 ASP A 88 31.083 2.175 -46.774 1.00 0.00 O ATOM 1413 OD2 ASP A 88 32.666 2.804 -45.396 1.00 0.00 O ATOM 0 H ASP A 88 33.521 -0.067 -44.315 1.00 0.00 H new ATOM 0 HA ASP A 88 31.631 -0.654 -46.503 1.00 0.00 H new ATOM 0 HB2 ASP A 88 34.128 1.089 -46.464 1.00 0.00 H new ATOM 0 HB3 ASP A 88 33.071 0.854 -47.841 1.00 0.00 H new ATOM 1418 N ILE A 89 32.948 -2.706 -46.990 1.00 0.00 N ATOM 1419 CA ILE A 89 33.657 -3.813 -47.605 1.00 0.00 C ATOM 1420 C ILE A 89 33.045 -4.115 -48.967 1.00 0.00 C ATOM 1421 O ILE A 89 31.930 -4.630 -49.057 1.00 0.00 O ATOM 1422 CB ILE A 89 33.616 -5.086 -46.727 1.00 0.00 C ATOM 1423 CG1 ILE A 89 34.263 -4.818 -45.364 1.00 0.00 C ATOM 1424 CG2 ILE A 89 34.318 -6.242 -47.432 1.00 0.00 C ATOM 1425 CD1 ILE A 89 34.223 -6.008 -44.429 1.00 0.00 C ATOM 0 H ILE A 89 31.964 -2.893 -46.796 1.00 0.00 H new ATOM 0 HA ILE A 89 34.701 -3.519 -47.716 1.00 0.00 H new ATOM 0 HB ILE A 89 32.574 -5.361 -46.566 1.00 0.00 H new ATOM 0 HG12 ILE A 89 35.301 -4.521 -45.516 1.00 0.00 H new ATOM 0 HG13 ILE A 89 33.757 -3.977 -44.890 1.00 0.00 H new ATOM 0 HG21 ILE A 89 34.280 -7.130 -46.801 1.00 0.00 H new ATOM 0 HG22 ILE A 89 33.818 -6.448 -48.379 1.00 0.00 H new ATOM 0 HG23 ILE A 89 35.358 -5.975 -47.621 1.00 0.00 H new ATOM 0 HD11 ILE A 89 34.699 -5.745 -43.484 1.00 0.00 H new ATOM 0 HD12 ILE A 89 33.187 -6.293 -44.246 1.00 0.00 H new ATOM 0 HD13 ILE A 89 34.755 -6.845 -44.882 1.00 0.00 H new ATOM 1437 N LEU A 90 33.758 -3.751 -50.022 1.00 0.00 N ATOM 1438 CA LEU A 90 33.290 -3.994 -51.379 1.00 0.00 C ATOM 1439 C LEU A 90 34.086 -5.128 -52.014 1.00 0.00 C ATOM 1440 O LEU A 90 33.941 -6.288 -51.626 1.00 0.00 O ATOM 1441 CB LEU A 90 33.381 -2.724 -52.244 1.00 0.00 C ATOM 1442 CG LEU A 90 32.424 -1.581 -51.873 1.00 0.00 C ATOM 1443 CD1 LEU A 90 32.859 -0.881 -50.590 1.00 0.00 C ATOM 1444 CD2 LEU A 90 32.324 -0.585 -53.019 1.00 0.00 C ATOM 0 H LEU A 90 34.664 -3.286 -49.965 1.00 0.00 H new ATOM 0 HA LEU A 90 32.240 -4.282 -51.325 1.00 0.00 H new ATOM 0 HB2 LEU A 90 34.402 -2.346 -52.192 1.00 0.00 H new ATOM 0 HB3 LEU A 90 33.197 -3.002 -53.282 1.00 0.00 H new ATOM 0 HG LEU A 90 31.439 -2.013 -51.694 1.00 0.00 H new ATOM 0 HD11 LEU A 90 32.159 -0.078 -50.358 1.00 0.00 H new ATOM 0 HD12 LEU A 90 32.872 -1.599 -49.770 1.00 0.00 H new ATOM 0 HD13 LEU A 90 33.857 -0.465 -50.723 1.00 0.00 H new ATOM 0 HD21 LEU A 90 31.643 0.220 -52.743 1.00 0.00 H new ATOM 0 HD22 LEU A 90 33.310 -0.170 -53.228 1.00 0.00 H new ATOM 0 HD23 LEU A 90 31.947 -1.090 -53.908 1.00 0.00 H new ATOM 1456 N ARG A 91 34.951 -4.795 -52.962 1.00 0.00 N ATOM 1457 CA ARG A 91 35.758 -5.798 -53.635 1.00 0.00 C ATOM 1458 C ARG A 91 37.228 -5.433 -53.566 1.00 0.00 C ATOM 1459 O ARG A 91 37.654 -4.419 -54.123 1.00 0.00 O ATOM 1460 CB ARG A 91 35.319 -5.968 -55.091 1.00 0.00 C ATOM 1461 CG ARG A 91 33.914 -6.533 -55.230 1.00 0.00 C ATOM 1462 CD ARG A 91 33.789 -7.872 -54.515 1.00 0.00 C ATOM 1463 NE ARG A 91 32.403 -8.332 -54.442 1.00 0.00 N ATOM 1464 CZ ARG A 91 31.839 -8.813 -53.332 1.00 0.00 C ATOM 1465 NH1 ARG A 91 32.539 -8.869 -52.204 1.00 0.00 N ATOM 1466 NH2 ARG A 91 30.579 -9.229 -53.351 1.00 0.00 N ATOM 0 H ARG A 91 35.110 -3.839 -53.281 1.00 0.00 H new ATOM 0 HA ARG A 91 35.611 -6.748 -53.122 1.00 0.00 H new ATOM 0 HB2 ARG A 91 35.367 -5.002 -55.593 1.00 0.00 H new ATOM 0 HB3 ARG A 91 36.021 -6.628 -55.601 1.00 0.00 H new ATOM 0 HG2 ARG A 91 33.193 -5.828 -54.817 1.00 0.00 H new ATOM 0 HG3 ARG A 91 33.671 -6.657 -56.285 1.00 0.00 H new ATOM 0 HD2 ARG A 91 34.390 -8.617 -55.035 1.00 0.00 H new ATOM 0 HD3 ARG A 91 34.194 -7.783 -53.507 1.00 0.00 H new ATOM 0 HE ARG A 91 31.835 -8.282 -55.288 1.00 0.00 H new ATOM 0 HH11 ARG A 91 33.506 -8.545 -52.187 1.00 0.00 H new ATOM 0 HH12 ARG A 91 32.109 -9.236 -51.355 1.00 0.00 H new ATOM 0 HH21 ARG A 91 30.039 -9.182 -54.215 1.00 0.00 H new ATOM 0 HH22 ARG A 91 30.150 -9.596 -52.501 1.00 0.00 H new ATOM 1480 N LEU A 92 37.984 -6.256 -52.860 1.00 0.00 N ATOM 1481 CA LEU A 92 39.418 -6.063 -52.704 1.00 0.00 C ATOM 1482 C LEU A 92 40.055 -7.403 -52.327 1.00 0.00 C ATOM 1483 O LEU A 92 39.463 -8.454 -52.581 1.00 0.00 O ATOM 1484 CB LEU A 92 39.696 -5.002 -51.626 1.00 0.00 C ATOM 1485 CG LEU A 92 41.109 -4.414 -51.631 1.00 0.00 C ATOM 1486 CD1 LEU A 92 41.381 -3.676 -52.933 1.00 0.00 C ATOM 1487 CD2 LEU A 92 41.300 -3.489 -50.444 1.00 0.00 C ATOM 0 H LEU A 92 37.622 -7.078 -52.378 1.00 0.00 H new ATOM 0 HA LEU A 92 39.851 -5.709 -53.640 1.00 0.00 H new ATOM 0 HB2 LEU A 92 38.982 -4.188 -51.749 1.00 0.00 H new ATOM 0 HB3 LEU A 92 39.509 -5.445 -50.648 1.00 0.00 H new ATOM 0 HG LEU A 92 41.823 -5.234 -51.550 1.00 0.00 H new ATOM 0 HD11 LEU A 92 42.391 -3.266 -52.915 1.00 0.00 H new ATOM 0 HD12 LEU A 92 41.285 -4.368 -53.770 1.00 0.00 H new ATOM 0 HD13 LEU A 92 40.662 -2.865 -53.048 1.00 0.00 H new ATOM 0 HD21 LEU A 92 42.310 -3.079 -50.461 1.00 0.00 H new ATOM 0 HD22 LEU A 92 40.577 -2.675 -50.497 1.00 0.00 H new ATOM 0 HD23 LEU A 92 41.151 -4.047 -49.520 1.00 0.00 H new ATOM 1499 N ALA A 93 41.251 -7.358 -51.739 1.00 0.00 N ATOM 1500 CA ALA A 93 41.968 -8.557 -51.292 1.00 0.00 C ATOM 1501 C ALA A 93 42.421 -9.405 -52.476 1.00 0.00 C ATOM 1502 O ALA A 93 41.721 -10.319 -52.914 1.00 0.00 O ATOM 1503 CB ALA A 93 41.126 -9.383 -50.320 1.00 0.00 C ATOM 0 H ALA A 93 41.752 -6.488 -51.558 1.00 0.00 H new ATOM 0 HA ALA A 93 42.858 -8.223 -50.759 1.00 0.00 H new ATOM 0 HB1 ALA A 93 41.688 -10.264 -50.009 1.00 0.00 H new ATOM 0 HB2 ALA A 93 40.884 -8.780 -49.445 1.00 0.00 H new ATOM 0 HB3 ALA A 93 40.205 -9.695 -50.812 1.00 0.00 H new ATOM 1509 N SER A 94 43.591 -9.077 -52.999 1.00 0.00 N ATOM 1510 CA SER A 94 44.162 -9.805 -54.115 1.00 0.00 C ATOM 1511 C SER A 94 44.862 -11.072 -53.626 1.00 0.00 C ATOM 1512 O SER A 94 44.448 -12.184 -53.955 1.00 0.00 O ATOM 1513 CB SER A 94 45.140 -8.902 -54.880 1.00 0.00 C ATOM 1514 OG SER A 94 45.706 -9.567 -55.998 1.00 0.00 O ATOM 0 H SER A 94 44.166 -8.304 -52.664 1.00 0.00 H new ATOM 0 HA SER A 94 43.361 -10.103 -54.791 1.00 0.00 H new ATOM 0 HB2 SER A 94 44.620 -8.005 -55.216 1.00 0.00 H new ATOM 0 HB3 SER A 94 45.935 -8.577 -54.209 1.00 0.00 H new ATOM 0 HG SER A 94 46.322 -8.962 -56.462 1.00 0.00 H new ATOM 1520 N ALA A 95 45.907 -10.896 -52.825 1.00 0.00 N ATOM 1521 CA ALA A 95 46.687 -12.015 -52.313 1.00 0.00 C ATOM 1522 C ALA A 95 47.539 -11.559 -51.137 1.00 0.00 C ATOM 1523 O ALA A 95 47.664 -10.357 -50.892 1.00 0.00 O ATOM 1524 CB ALA A 95 47.567 -12.601 -53.410 1.00 0.00 C ATOM 0 H ALA A 95 46.235 -9.981 -52.515 1.00 0.00 H new ATOM 0 HA ALA A 95 46.002 -12.792 -51.973 1.00 0.00 H new ATOM 0 HB1 ALA A 95 48.142 -13.435 -53.008 1.00 0.00 H new ATOM 0 HB2 ALA A 95 46.941 -12.953 -54.230 1.00 0.00 H new ATOM 0 HB3 ALA A 95 48.249 -11.834 -53.778 1.00 0.00 H new ATOM 1530 N TYR A 96 48.117 -12.503 -50.408 1.00 0.00 N ATOM 1531 CA TYR A 96 48.948 -12.163 -49.258 1.00 0.00 C ATOM 1532 C TYR A 96 49.787 -13.354 -48.807 1.00 0.00 C ATOM 1533 O TYR A 96 49.368 -14.506 -48.921 1.00 0.00 O ATOM 1534 CB TYR A 96 48.076 -11.684 -48.087 1.00 0.00 C ATOM 1535 CG TYR A 96 47.266 -12.787 -47.433 1.00 0.00 C ATOM 1536 CD1 TYR A 96 46.113 -13.283 -48.027 1.00 0.00 C ATOM 1537 CD2 TYR A 96 47.669 -13.342 -46.222 1.00 0.00 C ATOM 1538 CE1 TYR A 96 45.386 -14.298 -47.434 1.00 0.00 C ATOM 1539 CE2 TYR A 96 46.947 -14.358 -45.626 1.00 0.00 C ATOM 1540 CZ TYR A 96 45.808 -14.831 -46.234 1.00 0.00 C ATOM 1541 OH TYR A 96 45.088 -15.842 -45.639 1.00 0.00 O ATOM 0 H TYR A 96 48.028 -13.503 -50.589 1.00 0.00 H new ATOM 0 HA TYR A 96 49.619 -11.361 -49.566 1.00 0.00 H new ATOM 0 HB2 TYR A 96 48.716 -11.222 -47.335 1.00 0.00 H new ATOM 0 HB3 TYR A 96 47.396 -10.911 -48.445 1.00 0.00 H new ATOM 0 HD1 TYR A 96 45.779 -12.869 -48.967 1.00 0.00 H new ATOM 0 HD2 TYR A 96 48.562 -12.972 -45.740 1.00 0.00 H new ATOM 0 HE1 TYR A 96 44.491 -14.672 -47.908 1.00 0.00 H new ATOM 0 HE2 TYR A 96 47.276 -14.779 -44.687 1.00 0.00 H new ATOM 0 HH TYR A 96 45.523 -16.104 -44.801 1.00 0.00 H new ATOM 1551 N PHE A 97 50.974 -13.065 -48.305 1.00 0.00 N ATOM 1552 CA PHE A 97 51.794 -14.070 -47.647 1.00 0.00 C ATOM 1553 C PHE A 97 51.969 -13.684 -46.183 1.00 0.00 C ATOM 1554 O PHE A 97 52.235 -12.520 -45.875 1.00 0.00 O ATOM 1555 CB PHE A 97 53.157 -14.206 -48.331 1.00 0.00 C ATOM 1556 CG PHE A 97 53.073 -14.670 -49.760 1.00 0.00 C ATOM 1557 CD1 PHE A 97 52.671 -15.963 -50.060 1.00 0.00 C ATOM 1558 CD2 PHE A 97 53.406 -13.817 -50.799 1.00 0.00 C ATOM 1559 CE1 PHE A 97 52.601 -16.392 -51.372 1.00 0.00 C ATOM 1560 CE2 PHE A 97 53.337 -14.241 -52.112 1.00 0.00 C ATOM 1561 CZ PHE A 97 52.935 -15.529 -52.398 1.00 0.00 C ATOM 0 H PHE A 97 51.395 -12.137 -48.340 1.00 0.00 H new ATOM 0 HA PHE A 97 51.295 -15.037 -47.716 1.00 0.00 H new ATOM 0 HB2 PHE A 97 53.667 -13.243 -48.300 1.00 0.00 H new ATOM 0 HB3 PHE A 97 53.769 -14.909 -47.765 1.00 0.00 H new ATOM 0 HD1 PHE A 97 52.410 -16.641 -49.261 1.00 0.00 H new ATOM 0 HD2 PHE A 97 53.723 -12.808 -50.580 1.00 0.00 H new ATOM 0 HE1 PHE A 97 52.286 -17.401 -51.595 1.00 0.00 H new ATOM 0 HE2 PHE A 97 53.597 -13.565 -52.913 1.00 0.00 H new ATOM 0 HZ PHE A 97 52.881 -15.863 -53.424 1.00 0.00 H new ATOM 1571 N ALA A 98 51.821 -14.648 -45.283 1.00 0.00 N ATOM 1572 CA ALA A 98 51.813 -14.356 -43.851 1.00 0.00 C ATOM 1573 C ALA A 98 53.219 -14.149 -43.295 1.00 0.00 C ATOM 1574 O ALA A 98 53.768 -15.025 -42.627 1.00 0.00 O ATOM 1575 CB ALA A 98 51.088 -15.453 -43.083 1.00 0.00 C ATOM 0 H ALA A 98 51.705 -15.634 -45.515 1.00 0.00 H new ATOM 0 HA ALA A 98 51.274 -13.418 -43.718 1.00 0.00 H new ATOM 0 HB1 ALA A 98 51.093 -15.217 -42.019 1.00 0.00 H new ATOM 0 HB2 ALA A 98 50.058 -15.523 -43.434 1.00 0.00 H new ATOM 0 HB3 ALA A 98 51.593 -16.405 -43.246 1.00 0.00 H new ATOM 1581 N LYS A 99 53.798 -12.990 -43.616 1.00 0.00 N ATOM 1582 CA LYS A 99 55.081 -12.547 -43.056 1.00 0.00 C ATOM 1583 C LYS A 99 56.203 -13.562 -43.279 1.00 0.00 C ATOM 1584 O LYS A 99 57.181 -13.598 -42.531 1.00 0.00 O ATOM 1585 CB LYS A 99 54.927 -12.234 -41.565 1.00 0.00 C ATOM 1586 CG LYS A 99 53.970 -11.084 -41.294 1.00 0.00 C ATOM 1587 CD LYS A 99 53.854 -10.780 -39.812 1.00 0.00 C ATOM 1588 CE LYS A 99 52.957 -9.578 -39.562 1.00 0.00 C ATOM 1589 NZ LYS A 99 52.786 -9.297 -38.114 1.00 0.00 N ATOM 0 H LYS A 99 53.389 -12.327 -44.275 1.00 0.00 H new ATOM 0 HA LYS A 99 55.368 -11.640 -43.588 1.00 0.00 H new ATOM 0 HB2 LYS A 99 54.571 -13.125 -41.047 1.00 0.00 H new ATOM 0 HB3 LYS A 99 55.904 -11.992 -41.148 1.00 0.00 H new ATOM 0 HG2 LYS A 99 54.314 -10.194 -41.821 1.00 0.00 H new ATOM 0 HG3 LYS A 99 52.986 -11.330 -41.692 1.00 0.00 H new ATOM 0 HD2 LYS A 99 53.454 -11.650 -39.291 1.00 0.00 H new ATOM 0 HD3 LYS A 99 54.845 -10.589 -39.399 1.00 0.00 H new ATOM 0 HE2 LYS A 99 53.381 -8.702 -40.053 1.00 0.00 H new ATOM 0 HE3 LYS A 99 51.981 -9.755 -40.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 52.167 -8.470 -37.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 52.357 -10.122 -37.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 53.714 -9.102 -37.686 1.00 0.00 H new ATOM 1603 N ALA A 100 56.067 -14.366 -44.318 1.00 0.00 N ATOM 1604 CA ALA A 100 57.097 -15.326 -44.680 1.00 0.00 C ATOM 1605 C ALA A 100 57.738 -14.920 -45.998 1.00 0.00 C ATOM 1606 O ALA A 100 58.940 -14.656 -46.064 1.00 0.00 O ATOM 1607 CB ALA A 100 56.503 -16.723 -44.773 1.00 0.00 C ATOM 0 H ALA A 100 55.250 -14.374 -44.929 1.00 0.00 H new ATOM 0 HA ALA A 100 57.867 -15.336 -43.909 1.00 0.00 H new ATOM 0 HB1 ALA A 100 57.284 -17.433 -45.045 1.00 0.00 H new ATOM 0 HB2 ALA A 100 56.078 -17.003 -43.809 1.00 0.00 H new ATOM 0 HB3 ALA A 100 55.721 -16.736 -45.532 1.00 0.00 H new ATOM 1613 N GLU A 101 56.924 -14.860 -47.039 1.00 0.00 N ATOM 1614 CA GLU A 101 57.374 -14.395 -48.336 1.00 0.00 C ATOM 1615 C GLU A 101 57.078 -12.906 -48.470 1.00 0.00 C ATOM 1616 O GLU A 101 55.929 -12.482 -48.342 1.00 0.00 O ATOM 1617 CB GLU A 101 56.687 -15.192 -49.446 1.00 0.00 C ATOM 1618 CG GLU A 101 56.945 -16.689 -49.355 1.00 0.00 C ATOM 1619 CD GLU A 101 56.223 -17.483 -50.425 1.00 0.00 C ATOM 1620 OE1 GLU A 101 56.556 -17.321 -51.616 1.00 0.00 O ATOM 1621 OE2 GLU A 101 55.347 -18.301 -50.071 1.00 0.00 O ATOM 0 H GLU A 101 55.941 -15.130 -47.008 1.00 0.00 H new ATOM 0 HA GLU A 101 58.449 -14.547 -48.427 1.00 0.00 H new ATOM 0 HB2 GLU A 101 55.613 -15.011 -49.403 1.00 0.00 H new ATOM 0 HB3 GLU A 101 57.033 -14.828 -50.413 1.00 0.00 H new ATOM 0 HG2 GLU A 101 58.016 -16.873 -49.436 1.00 0.00 H new ATOM 0 HG3 GLU A 101 56.633 -17.046 -48.373 1.00 0.00 H new ATOM 1628 N PHE A 102 58.119 -12.116 -48.683 1.00 0.00 N ATOM 1629 CA PHE A 102 57.982 -10.668 -48.759 1.00 0.00 C ATOM 1630 C PHE A 102 57.633 -10.233 -50.183 1.00 0.00 C ATOM 1631 O PHE A 102 58.268 -10.666 -51.147 1.00 0.00 O ATOM 1632 CB PHE A 102 59.282 -9.995 -48.298 1.00 0.00 C ATOM 1633 CG PHE A 102 59.185 -8.497 -48.181 1.00 0.00 C ATOM 1634 CD1 PHE A 102 58.607 -7.912 -47.065 1.00 0.00 C ATOM 1635 CD2 PHE A 102 59.672 -7.675 -49.186 1.00 0.00 C ATOM 1636 CE1 PHE A 102 58.515 -6.537 -46.954 1.00 0.00 C ATOM 1637 CE2 PHE A 102 59.583 -6.299 -49.079 1.00 0.00 C ATOM 1638 CZ PHE A 102 59.004 -5.730 -47.962 1.00 0.00 C ATOM 0 H PHE A 102 59.073 -12.455 -48.807 1.00 0.00 H new ATOM 0 HA PHE A 102 57.170 -10.359 -48.100 1.00 0.00 H new ATOM 0 HB2 PHE A 102 59.570 -10.407 -47.331 1.00 0.00 H new ATOM 0 HB3 PHE A 102 60.077 -10.244 -49.000 1.00 0.00 H new ATOM 0 HD1 PHE A 102 58.224 -8.538 -46.273 1.00 0.00 H new ATOM 0 HD2 PHE A 102 60.126 -8.114 -50.062 1.00 0.00 H new ATOM 0 HE1 PHE A 102 58.061 -6.095 -46.080 1.00 0.00 H new ATOM 0 HE2 PHE A 102 59.966 -5.670 -49.869 1.00 0.00 H new ATOM 0 HZ PHE A 102 58.934 -4.656 -47.877 1.00 0.00 H new ATOM 1648 N ASP A 103 56.619 -9.387 -50.313 1.00 0.00 N ATOM 1649 CA ASP A 103 56.208 -8.882 -51.618 1.00 0.00 C ATOM 1650 C ASP A 103 56.767 -7.493 -51.878 1.00 0.00 C ATOM 1651 O ASP A 103 56.298 -6.506 -51.307 1.00 0.00 O ATOM 1652 CB ASP A 103 54.679 -8.832 -51.744 1.00 0.00 C ATOM 1653 CG ASP A 103 54.068 -10.159 -52.134 1.00 0.00 C ATOM 1654 OD1 ASP A 103 54.257 -10.593 -53.293 1.00 0.00 O ATOM 1655 OD2 ASP A 103 53.378 -10.770 -51.294 1.00 0.00 O ATOM 0 H ASP A 103 56.066 -9.036 -49.531 1.00 0.00 H new ATOM 0 HA ASP A 103 56.608 -9.575 -52.358 1.00 0.00 H new ATOM 0 HB2 ASP A 103 54.253 -8.509 -50.794 1.00 0.00 H new ATOM 0 HB3 ASP A 103 54.407 -8.082 -52.487 1.00 0.00 H new ATOM 1660 N ARG A 104 57.778 -7.418 -52.729 1.00 0.00 N ATOM 1661 CA ARG A 104 58.258 -6.134 -53.212 1.00 0.00 C ATOM 1662 C ARG A 104 58.191 -6.107 -54.733 1.00 0.00 C ATOM 1663 O ARG A 104 58.826 -6.914 -55.414 1.00 0.00 O ATOM 1664 CB ARG A 104 59.679 -5.829 -52.717 1.00 0.00 C ATOM 1665 CG ARG A 104 60.754 -6.770 -53.233 1.00 0.00 C ATOM 1666 CD ARG A 104 62.136 -6.247 -52.895 1.00 0.00 C ATOM 1667 NE ARG A 104 63.200 -7.028 -53.519 1.00 0.00 N ATOM 1668 CZ ARG A 104 64.284 -6.487 -54.069 1.00 0.00 C ATOM 1669 NH1 ARG A 104 64.372 -5.172 -54.193 1.00 0.00 N ATOM 1670 NH2 ARG A 104 65.261 -7.258 -54.532 1.00 0.00 N ATOM 0 H ARG A 104 58.279 -8.226 -53.098 1.00 0.00 H new ATOM 0 HA ARG A 104 57.613 -5.353 -52.809 1.00 0.00 H new ATOM 0 HB2 ARG A 104 59.938 -4.811 -53.008 1.00 0.00 H new ATOM 0 HB3 ARG A 104 59.683 -5.860 -51.627 1.00 0.00 H new ATOM 0 HG2 ARG A 104 60.618 -7.759 -52.796 1.00 0.00 H new ATOM 0 HG3 ARG A 104 60.657 -6.883 -54.313 1.00 0.00 H new ATOM 0 HD2 ARG A 104 62.216 -5.209 -53.217 1.00 0.00 H new ATOM 0 HD3 ARG A 104 62.270 -6.257 -51.813 1.00 0.00 H new ATOM 0 HE ARG A 104 63.107 -8.044 -53.534 1.00 0.00 H new ATOM 0 HH11 ARG A 104 63.610 -4.577 -53.867 1.00 0.00 H new ATOM 0 HH12 ARG A 104 65.202 -4.754 -54.614 1.00 0.00 H new ATOM 0 HH21 ARG A 104 65.184 -8.273 -54.467 1.00 0.00 H new ATOM 0 HH22 ARG A 104 66.089 -6.835 -54.952 1.00 0.00 H new ATOM 1684 N LEU A 105 57.391 -5.196 -55.258 1.00 0.00 N ATOM 1685 CA LEU A 105 57.156 -5.128 -56.693 1.00 0.00 C ATOM 1686 C LEU A 105 57.882 -3.944 -57.316 1.00 0.00 C ATOM 1687 O LEU A 105 58.408 -4.040 -58.425 1.00 0.00 O ATOM 1688 CB LEU A 105 55.653 -5.029 -56.999 1.00 0.00 C ATOM 1689 CG LEU A 105 54.808 -6.268 -56.653 1.00 0.00 C ATOM 1690 CD1 LEU A 105 54.590 -6.390 -55.151 1.00 0.00 C ATOM 1691 CD2 LEU A 105 53.474 -6.217 -57.381 1.00 0.00 C ATOM 0 H LEU A 105 56.892 -4.492 -54.714 1.00 0.00 H new ATOM 0 HA LEU A 105 57.548 -6.047 -57.129 1.00 0.00 H new ATOM 0 HB2 LEU A 105 55.248 -4.175 -56.456 1.00 0.00 H new ATOM 0 HB3 LEU A 105 55.532 -4.817 -58.061 1.00 0.00 H new ATOM 0 HG LEU A 105 55.357 -7.151 -56.982 1.00 0.00 H new ATOM 0 HD11 LEU A 105 53.990 -7.275 -54.941 1.00 0.00 H new ATOM 0 HD12 LEU A 105 55.554 -6.478 -54.649 1.00 0.00 H new ATOM 0 HD13 LEU A 105 54.070 -5.504 -54.786 1.00 0.00 H new ATOM 0 HD21 LEU A 105 52.887 -7.100 -57.127 1.00 0.00 H new ATOM 0 HD22 LEU A 105 52.930 -5.321 -57.082 1.00 0.00 H new ATOM 0 HD23 LEU A 105 53.647 -6.194 -58.457 1.00 0.00 H new ATOM 1703 N TRP A 106 57.933 -2.837 -56.591 1.00 0.00 N ATOM 1704 CA TRP A 106 58.465 -1.597 -57.141 1.00 0.00 C ATOM 1705 C TRP A 106 59.539 -0.988 -56.239 1.00 0.00 C ATOM 1706 O TRP A 106 59.735 0.225 -56.233 1.00 0.00 O ATOM 1707 CB TRP A 106 57.323 -0.591 -57.370 1.00 0.00 C ATOM 1708 CG TRP A 106 56.477 -0.341 -56.157 1.00 0.00 C ATOM 1709 CD1 TRP A 106 55.518 -1.167 -55.642 1.00 0.00 C ATOM 1710 CD2 TRP A 106 56.499 0.819 -55.316 1.00 0.00 C ATOM 1711 NE1 TRP A 106 54.963 -0.605 -54.520 1.00 0.00 N ATOM 1712 CE2 TRP A 106 55.541 0.618 -54.303 1.00 0.00 C ATOM 1713 CE3 TRP A 106 57.241 2.007 -55.313 1.00 0.00 C ATOM 1714 CZ2 TRP A 106 55.307 1.558 -53.304 1.00 0.00 C ATOM 1715 CZ3 TRP A 106 57.002 2.939 -54.321 1.00 0.00 C ATOM 1716 CH2 TRP A 106 56.044 2.709 -53.328 1.00 0.00 C ATOM 0 H TRP A 106 57.614 -2.770 -55.624 1.00 0.00 H new ATOM 0 HA TRP A 106 58.937 -1.831 -58.095 1.00 0.00 H new ATOM 0 HB2 TRP A 106 57.748 0.355 -57.705 1.00 0.00 H new ATOM 0 HB3 TRP A 106 56.686 -0.957 -58.175 1.00 0.00 H new ATOM 0 HD1 TRP A 106 55.238 -2.123 -56.058 1.00 0.00 H new ATOM 0 HE1 TRP A 106 54.238 -1.029 -53.941 1.00 0.00 H new ATOM 0 HE3 TRP A 106 57.987 2.191 -56.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 54.568 1.384 -52.536 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 57.565 3.861 -54.312 1.00 0.00 H new ATOM 0 HH2 TRP A 106 55.883 3.456 -52.565 1.00 0.00 H new ATOM 1727 N LYS A 107 60.261 -1.823 -55.505 1.00 0.00 N ATOM 1728 CA LYS A 107 61.310 -1.325 -54.626 1.00 0.00 C ATOM 1729 C LYS A 107 62.652 -1.925 -55.014 1.00 0.00 C ATOM 1730 O LYS A 107 62.778 -3.143 -55.127 1.00 0.00 O ATOM 1731 CB LYS A 107 61.015 -1.666 -53.165 1.00 0.00 C ATOM 1732 CG LYS A 107 61.925 -0.934 -52.187 1.00 0.00 C ATOM 1733 CD LYS A 107 61.875 -1.541 -50.796 1.00 0.00 C ATOM 1734 CE LYS A 107 62.668 -2.839 -50.721 1.00 0.00 C ATOM 1735 NZ LYS A 107 64.127 -2.622 -50.940 1.00 0.00 N ATOM 0 H LYS A 107 60.142 -2.836 -55.500 1.00 0.00 H new ATOM 0 HA LYS A 107 61.344 -0.241 -54.735 1.00 0.00 H new ATOM 0 HB2 LYS A 107 59.977 -1.418 -52.942 1.00 0.00 H new ATOM 0 HB3 LYS A 107 61.124 -2.741 -53.019 1.00 0.00 H new ATOM 0 HG2 LYS A 107 62.950 -0.961 -52.557 1.00 0.00 H new ATOM 0 HG3 LYS A 107 61.632 0.115 -52.135 1.00 0.00 H new ATOM 0 HD2 LYS A 107 62.273 -0.829 -50.073 1.00 0.00 H new ATOM 0 HD3 LYS A 107 60.838 -1.731 -50.519 1.00 0.00 H new ATOM 0 HE2 LYS A 107 62.514 -3.301 -49.746 1.00 0.00 H new ATOM 0 HE3 LYS A 107 62.290 -3.537 -51.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 64.657 -3.445 -50.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 64.311 -2.501 -51.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 64.432 -1.769 -50.429 1.00 0.00 H new ATOM 1749 N LYS A 108 63.651 -1.075 -55.207 1.00 0.00 N ATOM 1750 CA LYS A 108 64.990 -1.537 -55.548 1.00 0.00 C ATOM 1751 C LYS A 108 65.611 -2.272 -54.366 1.00 0.00 C ATOM 1752 O LYS A 108 66.276 -3.308 -54.588 1.00 0.00 O ATOM 1753 CB LYS A 108 65.883 -0.365 -55.965 1.00 0.00 C ATOM 1754 CG LYS A 108 65.410 0.362 -57.214 1.00 0.00 C ATOM 1755 CD LYS A 108 65.393 -0.555 -58.428 1.00 0.00 C ATOM 1756 CE LYS A 108 65.018 0.202 -59.692 1.00 0.00 C ATOM 1757 NZ LYS A 108 66.046 1.213 -60.063 1.00 0.00 N ATOM 1758 OXT LYS A 108 65.397 -1.831 -53.215 1.00 0.00 O ATOM 0 H LYS A 108 63.560 -0.062 -55.133 1.00 0.00 H new ATOM 0 HA LYS A 108 64.908 -2.223 -56.391 1.00 0.00 H new ATOM 0 HB2 LYS A 108 65.937 0.347 -55.142 1.00 0.00 H new ATOM 0 HB3 LYS A 108 66.894 -0.735 -56.134 1.00 0.00 H new ATOM 0 HG2 LYS A 108 64.410 0.761 -57.046 1.00 0.00 H new ATOM 0 HG3 LYS A 108 66.064 1.212 -57.409 1.00 0.00 H new ATOM 0 HD2 LYS A 108 66.374 -1.012 -58.554 1.00 0.00 H new ATOM 0 HD3 LYS A 108 64.683 -1.365 -58.263 1.00 0.00 H new ATOM 0 HE2 LYS A 108 64.891 -0.504 -60.513 1.00 0.00 H new ATOM 0 HE3 LYS A 108 64.058 0.698 -59.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 65.870 1.548 -61.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 65.997 2.016 -59.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 66.991 0.782 -60.013 1.00 0.00 H new TER 1772 LYS A 108