USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 564 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 20 HIS : no HE2:sc= -2.4! C(o=-4!,f=-6.2!) USER MOD Set 1.2: A 67 ASN : amide:sc= -1.57! K(o=-4!,f=-2.2) USER MOD Set 2.1: A 23 GLN : amide:sc= -1.95! C(o=-8.1!,f=-8.1!) USER MOD Set 2.2: A 33 HIS : no HD1:sc= -6.12! C(o=-8.1!,f=-6.7!) USER MOD Set 3.1: A 3 LYS NZ :NH3+ -150:sc= 1.28 (180deg=0.257) USER MOD Set 3.2: A 8 ASN : amide:sc= 0.317 K(o=1.6,f=-4.3!) USER MOD Single : A 1 CYS N :NH3+ -150:sc= 0.178 (180deg=0.00579) USER MOD Single : A 1 CYS SG : rot 180:sc= 0.116 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0152 USER MOD Single : A 9 TYR OH : rot 23:sc= 1.16 USER MOD Single : A 12 ASN : amide:sc= -3.6! C(o=-3.6!,f=-9.8!) USER MOD Single : A 16 THR OG1 : rot -75:sc= 0.705 USER MOD Single : A 18 SER OG : rot 151:sc= 1.06 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.171 X(o=-0.17,f=-0.2) USER MOD Single : A 26 SER OG : rot 180:sc= 0.04 USER MOD Single : A 28 GLN : amide:sc= 0.757 K(o=0.76,f=-0.27) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= 0.559 K(o=0.56,f=-3.4!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0603 USER MOD Single : A 34 ASN : amide:sc= -0.647 K(o=-0.65,f=-0.0069) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.579 K(o=0.58,f=-0.61) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0238 USER MOD Single : A 44 LYS NZ :NH3+ 130:sc= 1.21 (180deg=0.683) USER MOD Single : A 45 ASN : amide:sc= -1.02 K(o=-1,f=-0.25) USER MOD Single : A 49 ASN : amide:sc= 0.352 K(o=0.35,f=-5.4!) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.235 USER MOD Single : A 53 ASN : amide:sc= 0.875 K(o=0.88,f=-9.4!) USER MOD Single : A 57 LYS NZ :NH3+ -157:sc= 1.12 (180deg=0.962) USER MOD Single : A 64 HIS : no HD1:sc= -1.94 K(o=-1.9,f=-3.1!) USER MOD Single : A 65 THR OG1 : rot -73:sc= -0.742 USER MOD Single : A 66 THR OG1 : rot 154:sc= -1.9! USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc=-0.00305 X(o=-0.0031,f=-0.35) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.157 USER MOD Single : A 76 LYS NZ :NH3+ -166:sc= -0.0126 (180deg=-0.162) USER MOD ----------------------------------------------------------------- ATOM 55 N CYS A 1 10.863 26.990 -21.039 1.00 0.00 N ATOM 56 CA CYS A 1 11.465 26.953 -19.723 1.00 0.00 C ATOM 57 C CYS A 1 10.472 26.460 -18.677 1.00 0.00 C ATOM 58 O CYS A 1 9.259 26.602 -18.837 1.00 0.00 O ATOM 59 CB CYS A 1 12.023 28.328 -19.353 1.00 0.00 C ATOM 60 SG CYS A 1 10.826 29.704 -19.396 1.00 0.00 S ATOM 0 H1 CYS A 1 11.594 26.824 -21.760 1.00 0.00 H new ATOM 0 H2 CYS A 1 10.134 26.252 -21.108 1.00 0.00 H new ATOM 0 H3 CYS A 1 10.428 27.922 -21.196 1.00 0.00 H new ATOM 0 HA CYS A 1 12.293 26.244 -19.746 1.00 0.00 H new ATOM 0 HB2 CYS A 1 12.447 28.270 -18.350 1.00 0.00 H new ATOM 0 HB3 CYS A 1 12.843 28.562 -20.032 1.00 0.00 H new ATOM 0 HG CYS A 1 11.423 30.809 -19.061 1.00 0.00 H new ATOM 65 N LEU A 2 11.001 25.836 -17.630 1.00 0.00 N ATOM 66 CA LEU A 2 10.180 25.246 -16.575 1.00 0.00 C ATOM 67 C LEU A 2 9.595 26.305 -15.642 1.00 0.00 C ATOM 68 O LEU A 2 10.164 27.381 -15.474 1.00 0.00 O ATOM 69 CB LEU A 2 11.031 24.261 -15.778 1.00 0.00 C ATOM 70 CG LEU A 2 10.321 23.484 -14.682 1.00 0.00 C ATOM 71 CD1 LEU A 2 9.191 22.667 -15.270 1.00 0.00 C ATOM 72 CD2 LEU A 2 11.313 22.593 -13.951 1.00 0.00 C ATOM 0 H LEU A 2 12.005 25.724 -17.488 1.00 0.00 H new ATOM 0 HA LEU A 2 9.341 24.731 -17.043 1.00 0.00 H new ATOM 0 HB2 LEU A 2 11.468 23.546 -16.475 1.00 0.00 H new ATOM 0 HB3 LEU A 2 11.857 24.811 -15.326 1.00 0.00 H new ATOM 0 HG LEU A 2 9.895 24.185 -13.964 1.00 0.00 H new ATOM 0 HD11 LEU A 2 8.690 22.115 -14.475 1.00 0.00 H new ATOM 0 HD12 LEU A 2 8.477 23.331 -15.757 1.00 0.00 H new ATOM 0 HD13 LEU A 2 9.592 21.966 -16.002 1.00 0.00 H new ATOM 0 HD21 LEU A 2 10.796 22.040 -13.167 1.00 0.00 H new ATOM 0 HD22 LEU A 2 11.760 21.892 -14.656 1.00 0.00 H new ATOM 0 HD23 LEU A 2 12.095 23.208 -13.506 1.00 0.00 H new ATOM 84 N LYS A 3 8.461 25.973 -15.033 1.00 0.00 N ATOM 85 CA LYS A 3 7.784 26.862 -14.096 1.00 0.00 C ATOM 86 C LYS A 3 8.051 26.424 -12.654 1.00 0.00 C ATOM 87 O LYS A 3 7.127 26.281 -11.848 1.00 0.00 O ATOM 88 CB LYS A 3 6.270 26.865 -14.368 1.00 0.00 C ATOM 89 CG LYS A 3 5.638 25.484 -14.243 1.00 0.00 C ATOM 90 CD LYS A 3 4.120 25.512 -14.368 1.00 0.00 C ATOM 91 CE LYS A 3 3.480 26.295 -13.228 1.00 0.00 C ATOM 92 NZ LYS A 3 1.993 26.246 -13.264 1.00 0.00 N1+ ATOM 0 H LYS A 3 7.986 25.081 -15.175 1.00 0.00 H new ATOM 0 HA LYS A 3 8.174 27.870 -14.235 1.00 0.00 H new ATOM 0 HB2 LYS A 3 5.783 27.546 -13.670 1.00 0.00 H new ATOM 0 HB3 LYS A 3 6.088 27.252 -15.370 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.049 24.831 -15.013 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.910 25.051 -13.280 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.841 25.961 -15.321 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.735 24.492 -14.371 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.830 25.895 -12.276 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.807 27.334 -13.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.607 27.121 -12.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 1.672 26.152 -14.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.659 25.430 -12.712 1.00 0.00 H new ATOM 106 N GLY A 4 9.314 26.183 -12.338 1.00 0.00 N ATOM 107 CA GLY A 4 9.676 25.763 -11.000 1.00 0.00 C ATOM 108 C GLY A 4 9.346 24.305 -10.757 1.00 0.00 C ATOM 109 O GLY A 4 10.178 23.431 -10.983 1.00 0.00 O ATOM 0 H GLY A 4 10.097 26.271 -12.986 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.743 25.924 -10.845 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.151 26.380 -10.271 1.00 0.00 H new ATOM 113 N THR A 5 8.127 24.043 -10.303 1.00 0.00 N ATOM 114 CA THR A 5 7.663 22.679 -10.099 1.00 0.00 C ATOM 115 C THR A 5 7.234 22.066 -11.426 1.00 0.00 C ATOM 116 O THR A 5 7.321 20.856 -11.611 1.00 0.00 O ATOM 117 CB THR A 5 6.478 22.635 -9.119 1.00 0.00 C ATOM 118 OG1 THR A 5 5.509 23.629 -9.482 1.00 0.00 O ATOM 119 CG2 THR A 5 6.941 22.866 -7.692 1.00 0.00 C ATOM 0 H THR A 5 7.441 24.760 -10.069 1.00 0.00 H new ATOM 0 HA THR A 5 8.490 22.108 -9.677 1.00 0.00 H new ATOM 0 HB THR A 5 6.025 21.645 -9.176 1.00 0.00 H new ATOM 0 HG1 THR A 5 4.756 23.596 -8.856 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.083 22.830 -7.021 1.00 0.00 H new ATOM 0 HG22 THR A 5 7.655 22.091 -7.411 1.00 0.00 H new ATOM 0 HG23 THR A 5 7.418 23.843 -7.618 1.00 0.00 H new ATOM 127 N GLY A 6 6.782 22.911 -12.340 1.00 0.00 N ATOM 128 CA GLY A 6 6.406 22.453 -13.666 1.00 0.00 C ATOM 129 C GLY A 6 5.289 21.440 -13.677 1.00 0.00 C ATOM 130 O GLY A 6 5.510 20.265 -13.966 1.00 0.00 O ATOM 0 H GLY A 6 6.667 23.913 -12.188 1.00 0.00 H new ATOM 0 HA2 GLY A 6 6.107 23.314 -14.264 1.00 0.00 H new ATOM 0 HA3 GLY A 6 7.281 22.018 -14.149 1.00 0.00 H new ATOM 134 N GLU A 7 4.089 21.897 -13.384 1.00 0.00 N ATOM 135 CA GLU A 7 2.916 21.054 -13.504 1.00 0.00 C ATOM 136 C GLU A 7 2.580 20.912 -14.974 1.00 0.00 C ATOM 137 O GLU A 7 2.820 19.881 -15.601 1.00 0.00 O ATOM 138 CB GLU A 7 1.728 21.691 -12.792 1.00 0.00 C ATOM 139 CG GLU A 7 2.059 22.273 -11.434 1.00 0.00 C ATOM 140 CD GLU A 7 1.016 23.273 -11.003 1.00 0.00 C ATOM 141 OE1 GLU A 7 1.069 24.425 -11.487 1.00 0.00 O ATOM 142 OE2 GLU A 7 0.123 22.908 -10.214 1.00 0.00 O1- ATOM 0 H GLU A 7 3.900 22.846 -13.061 1.00 0.00 H new ATOM 0 HA GLU A 7 3.122 20.083 -13.053 1.00 0.00 H new ATOM 0 HB2 GLU A 7 1.320 22.480 -13.424 1.00 0.00 H new ATOM 0 HB3 GLU A 7 0.945 20.942 -12.673 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.125 21.472 -10.698 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.036 22.755 -11.470 1.00 0.00 H new ATOM 149 N ASN A 8 2.051 21.993 -15.519 1.00 0.00 N ATOM 150 CA ASN A 8 1.682 22.063 -16.906 1.00 0.00 C ATOM 151 C ASN A 8 2.468 23.154 -17.620 1.00 0.00 C ATOM 152 O ASN A 8 1.940 23.796 -18.522 1.00 0.00 O ATOM 153 CB ASN A 8 0.187 22.347 -17.021 1.00 0.00 C ATOM 154 CG ASN A 8 -0.219 23.672 -16.395 1.00 0.00 C ATOM 155 OD1 ASN A 8 0.381 24.129 -15.417 1.00 0.00 O ATOM 156 ND2 ASN A 8 -1.233 24.303 -16.961 1.00 0.00 N ATOM 0 H ASN A 8 1.867 22.851 -14.999 1.00 0.00 H new ATOM 0 HA ASN A 8 1.913 21.108 -17.377 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -0.097 22.347 -18.073 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.368 21.540 -16.542 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.546 25.201 -16.591 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.703 23.892 -17.768 1.00 0.00 H new ATOM 163 N TYR A 9 3.723 23.368 -17.191 1.00 0.00 N ATOM 164 CA TYR A 9 4.620 24.356 -17.817 1.00 0.00 C ATOM 165 C TYR A 9 4.404 24.446 -19.332 1.00 0.00 C ATOM 166 O TYR A 9 3.923 25.457 -19.838 1.00 0.00 O ATOM 167 CB TYR A 9 6.095 24.041 -17.490 1.00 0.00 C ATOM 168 CG TYR A 9 6.547 22.628 -17.825 1.00 0.00 C ATOM 169 CD1 TYR A 9 5.991 21.529 -17.184 1.00 0.00 C ATOM 170 CD2 TYR A 9 7.536 22.398 -18.776 1.00 0.00 C ATOM 171 CE1 TYR A 9 6.399 20.247 -17.480 1.00 0.00 C ATOM 172 CE2 TYR A 9 7.949 21.114 -19.076 1.00 0.00 C ATOM 173 CZ TYR A 9 7.377 20.044 -18.430 1.00 0.00 C ATOM 174 OH TYR A 9 7.795 18.770 -18.729 1.00 0.00 O ATOM 0 H TYR A 9 4.142 22.867 -16.408 1.00 0.00 H new ATOM 0 HA TYR A 9 4.373 25.331 -17.397 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.728 24.745 -18.030 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.260 24.215 -16.427 1.00 0.00 H new ATOM 0 HD1 TYR A 9 5.224 21.682 -16.439 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.988 23.235 -19.287 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.955 19.405 -16.970 1.00 0.00 H new ATOM 0 HE2 TYR A 9 8.719 20.952 -19.816 1.00 0.00 H new ATOM 0 HH TYR A 9 7.092 18.130 -18.489 1.00 0.00 H new ATOM 184 N ARG A 10 4.790 23.407 -20.051 1.00 0.00 N ATOM 185 CA ARG A 10 4.429 23.261 -21.440 1.00 0.00 C ATOM 186 C ARG A 10 3.892 21.857 -21.680 1.00 0.00 C ATOM 187 O ARG A 10 2.690 21.615 -21.604 1.00 0.00 O ATOM 188 CB ARG A 10 5.632 23.538 -22.345 1.00 0.00 C ATOM 189 CG ARG A 10 6.029 24.992 -22.401 1.00 0.00 C ATOM 190 CD ARG A 10 6.982 25.362 -21.294 1.00 0.00 C ATOM 191 NE ARG A 10 7.387 26.761 -21.405 1.00 0.00 N ATOM 192 CZ ARG A 10 6.914 27.750 -20.638 1.00 0.00 C ATOM 193 NH1 ARG A 10 5.975 27.515 -19.728 1.00 0.00 N1+ ATOM 194 NH2 ARG A 10 7.352 28.985 -20.821 1.00 0.00 N ATOM 0 H ARG A 10 5.361 22.645 -19.685 1.00 0.00 H new ATOM 0 HA ARG A 10 3.653 23.987 -21.683 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.482 22.952 -21.994 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.403 23.194 -23.354 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.493 25.204 -23.364 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.136 25.614 -22.333 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.508 25.191 -20.327 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.862 24.720 -21.335 1.00 0.00 H new ATOM 0 HE ARG A 10 8.078 27.000 -22.116 1.00 0.00 H new ATOM 0 HH11 ARG A 10 5.606 26.572 -19.608 1.00 0.00 H new ATOM 0 HH12 ARG A 10 5.623 28.278 -19.150 1.00 0.00 H new ATOM 0 HH21 ARG A 10 8.046 29.178 -21.543 1.00 0.00 H new ATOM 0 HH22 ARG A 10 6.996 29.744 -20.240 1.00 0.00 H new ATOM 208 N GLY A 11 4.799 20.922 -21.902 1.00 0.00 N ATOM 209 CA GLY A 11 4.408 19.559 -22.195 1.00 0.00 C ATOM 210 C GLY A 11 5.216 19.015 -23.342 1.00 0.00 C ATOM 211 O GLY A 11 4.678 18.470 -24.300 1.00 0.00 O ATOM 0 H GLY A 11 5.806 21.083 -21.885 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.552 18.935 -21.313 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.347 19.524 -22.441 1.00 0.00 H new ATOM 215 N ASN A 12 6.521 19.181 -23.237 1.00 0.00 N ATOM 216 CA ASN A 12 7.431 18.854 -24.325 1.00 0.00 C ATOM 217 C ASN A 12 8.171 17.546 -24.064 1.00 0.00 C ATOM 218 O ASN A 12 7.982 16.565 -24.783 1.00 0.00 O ATOM 219 CB ASN A 12 8.416 20.012 -24.534 1.00 0.00 C ATOM 220 CG ASN A 12 8.857 20.644 -23.222 1.00 0.00 C ATOM 221 OD1 ASN A 12 9.781 20.170 -22.565 1.00 0.00 O ATOM 222 ND2 ASN A 12 8.209 21.736 -22.837 1.00 0.00 N ATOM 0 H ASN A 12 6.981 19.544 -22.402 1.00 0.00 H new ATOM 0 HA ASN A 12 6.847 18.712 -25.235 1.00 0.00 H new ATOM 0 HB2 ASN A 12 9.292 19.648 -25.071 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.951 20.772 -25.162 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.474 22.208 -21.972 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.446 22.104 -23.406 1.00 0.00 H new ATOM 229 N VAL A 13 9.014 17.537 -23.041 1.00 0.00 N ATOM 230 CA VAL A 13 9.787 16.358 -22.687 1.00 0.00 C ATOM 231 C VAL A 13 8.891 15.206 -22.235 1.00 0.00 C ATOM 232 O VAL A 13 8.039 15.368 -21.358 1.00 0.00 O ATOM 233 CB VAL A 13 10.798 16.696 -21.579 1.00 0.00 C ATOM 234 CG1 VAL A 13 11.541 15.458 -21.120 1.00 0.00 C ATOM 235 CG2 VAL A 13 11.770 17.754 -22.066 1.00 0.00 C ATOM 0 H VAL A 13 9.180 18.342 -22.437 1.00 0.00 H new ATOM 0 HA VAL A 13 10.320 16.037 -23.582 1.00 0.00 H new ATOM 0 HB VAL A 13 10.249 17.089 -20.723 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.249 15.728 -20.336 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.829 14.730 -20.731 1.00 0.00 H new ATOM 0 HG13 VAL A 13 12.080 15.024 -21.962 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.482 17.986 -21.274 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.307 17.381 -22.938 1.00 0.00 H new ATOM 0 HG23 VAL A 13 11.221 18.656 -22.336 1.00 0.00 H new ATOM 245 N ALA A 14 9.089 14.050 -22.855 1.00 0.00 N ATOM 246 CA ALA A 14 8.361 12.839 -22.498 1.00 0.00 C ATOM 247 C ALA A 14 9.345 11.726 -22.136 1.00 0.00 C ATOM 248 O ALA A 14 9.067 10.533 -22.309 1.00 0.00 O ATOM 249 CB ALA A 14 7.462 12.412 -23.645 1.00 0.00 C ATOM 0 H ALA A 14 9.756 13.925 -23.617 1.00 0.00 H new ATOM 0 HA ALA A 14 7.734 13.042 -21.630 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.923 11.506 -23.367 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.748 13.206 -23.863 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.069 12.216 -24.529 1.00 0.00 H new ATOM 255 N VAL A 15 10.509 12.136 -21.647 1.00 0.00 N ATOM 256 CA VAL A 15 11.569 11.220 -21.252 1.00 0.00 C ATOM 257 C VAL A 15 12.194 11.714 -19.954 1.00 0.00 C ATOM 258 O VAL A 15 12.338 12.919 -19.749 1.00 0.00 O ATOM 259 CB VAL A 15 12.662 11.113 -22.345 1.00 0.00 C ATOM 260 CG1 VAL A 15 13.820 10.243 -21.880 1.00 0.00 C ATOM 261 CG2 VAL A 15 12.077 10.559 -23.636 1.00 0.00 C ATOM 0 H VAL A 15 10.744 13.119 -21.513 1.00 0.00 H new ATOM 0 HA VAL A 15 11.135 10.230 -21.113 1.00 0.00 H new ATOM 0 HB VAL A 15 13.043 12.117 -22.533 1.00 0.00 H new ATOM 0 HG11 VAL A 15 14.571 10.186 -22.667 1.00 0.00 H new ATOM 0 HG12 VAL A 15 14.265 10.677 -20.985 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.455 9.241 -21.654 1.00 0.00 H new ATOM 0 HG21 VAL A 15 12.860 10.492 -24.391 1.00 0.00 H new ATOM 0 HG22 VAL A 15 11.664 9.567 -23.452 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.287 11.221 -23.991 1.00 0.00 H new ATOM 271 N THR A 16 12.550 10.784 -19.080 1.00 0.00 N ATOM 272 CA THR A 16 13.127 11.123 -17.787 1.00 0.00 C ATOM 273 C THR A 16 14.443 11.889 -17.944 1.00 0.00 C ATOM 274 O THR A 16 14.959 12.035 -19.055 1.00 0.00 O ATOM 275 CB THR A 16 13.392 9.854 -16.959 1.00 0.00 C ATOM 276 OG1 THR A 16 14.288 8.989 -17.671 1.00 0.00 O ATOM 277 CG2 THR A 16 12.095 9.116 -16.662 1.00 0.00 C ATOM 0 H THR A 16 12.449 9.782 -19.244 1.00 0.00 H new ATOM 0 HA THR A 16 12.404 11.757 -17.273 1.00 0.00 H new ATOM 0 HB THR A 16 13.843 10.151 -16.012 1.00 0.00 H new ATOM 0 HG1 THR A 16 13.808 8.554 -18.406 1.00 0.00 H new ATOM 0 HG21 THR A 16 12.311 8.223 -16.076 1.00 0.00 H new ATOM 0 HG22 THR A 16 11.427 9.767 -16.099 1.00 0.00 H new ATOM 0 HG23 THR A 16 11.617 8.828 -17.599 1.00 0.00 H new ATOM 285 N VAL A 17 14.988 12.384 -16.841 1.00 0.00 N ATOM 286 CA VAL A 17 16.306 12.999 -16.870 1.00 0.00 C ATOM 287 C VAL A 17 17.360 11.943 -17.223 1.00 0.00 C ATOM 288 O VAL A 17 18.418 12.254 -17.774 1.00 0.00 O ATOM 289 CB VAL A 17 16.637 13.694 -15.528 1.00 0.00 C ATOM 290 CG1 VAL A 17 16.577 12.718 -14.366 1.00 0.00 C ATOM 291 CG2 VAL A 17 17.993 14.378 -15.586 1.00 0.00 C ATOM 0 H VAL A 17 14.542 12.372 -15.924 1.00 0.00 H new ATOM 0 HA VAL A 17 16.311 13.773 -17.638 1.00 0.00 H new ATOM 0 HB VAL A 17 15.877 14.457 -15.361 1.00 0.00 H new ATOM 0 HG11 VAL A 17 16.815 13.240 -13.439 1.00 0.00 H new ATOM 0 HG12 VAL A 17 15.575 12.295 -14.297 1.00 0.00 H new ATOM 0 HG13 VAL A 17 17.298 11.917 -14.526 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.200 14.858 -14.629 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.765 13.638 -15.795 1.00 0.00 H new ATOM 0 HG23 VAL A 17 17.988 15.129 -16.376 1.00 0.00 H new ATOM 301 N SER A 18 17.041 10.690 -16.925 1.00 0.00 N ATOM 302 CA SER A 18 17.864 9.566 -17.337 1.00 0.00 C ATOM 303 C SER A 18 17.356 9.030 -18.680 1.00 0.00 C ATOM 304 O SER A 18 16.545 9.679 -19.342 1.00 0.00 O ATOM 305 CB SER A 18 17.812 8.473 -16.268 1.00 0.00 C ATOM 306 OG SER A 18 18.054 9.009 -14.977 1.00 0.00 O ATOM 0 H SER A 18 16.210 10.428 -16.395 1.00 0.00 H new ATOM 0 HA SER A 18 18.899 9.888 -17.455 1.00 0.00 H new ATOM 0 HB2 SER A 18 16.836 7.988 -16.287 1.00 0.00 H new ATOM 0 HB3 SER A 18 18.553 7.706 -16.491 1.00 0.00 H new ATOM 0 HG SER A 18 17.585 8.470 -14.306 1.00 0.00 H new ATOM 312 N GLY A 19 17.816 7.851 -19.077 1.00 0.00 N ATOM 313 CA GLY A 19 17.418 7.302 -20.361 1.00 0.00 C ATOM 314 C GLY A 19 16.173 6.436 -20.285 1.00 0.00 C ATOM 315 O GLY A 19 15.985 5.538 -21.108 1.00 0.00 O ATOM 0 H GLY A 19 18.454 7.267 -18.537 1.00 0.00 H new ATOM 0 HA2 GLY A 19 17.241 8.120 -21.059 1.00 0.00 H new ATOM 0 HA3 GLY A 19 18.239 6.710 -20.766 1.00 0.00 H new ATOM 319 N HIS A 20 15.323 6.692 -19.298 1.00 0.00 N ATOM 320 CA HIS A 20 14.095 5.922 -19.136 1.00 0.00 C ATOM 321 C HIS A 20 12.941 6.589 -19.876 1.00 0.00 C ATOM 322 O HIS A 20 12.741 7.801 -19.783 1.00 0.00 O ATOM 323 CB HIS A 20 13.732 5.753 -17.655 1.00 0.00 C ATOM 324 CG HIS A 20 14.735 4.972 -16.861 1.00 0.00 C ATOM 325 ND1 HIS A 20 15.676 5.557 -16.046 1.00 0.00 N ATOM 326 CD2 HIS A 20 14.939 3.643 -16.767 1.00 0.00 C ATOM 327 CE1 HIS A 20 16.426 4.620 -15.499 1.00 0.00 C ATOM 328 NE2 HIS A 20 16.000 3.446 -15.920 1.00 0.00 N ATOM 0 H HIS A 20 15.460 7.423 -18.600 1.00 0.00 H new ATOM 0 HA HIS A 20 14.270 4.934 -19.562 1.00 0.00 H new ATOM 0 HB2 HIS A 20 13.618 6.740 -17.206 1.00 0.00 H new ATOM 0 HB3 HIS A 20 12.764 5.257 -17.584 1.00 0.00 H new ATOM 0 HD1 HIS A 20 15.778 6.560 -15.889 1.00 0.00 H new ATOM 0 HD2 HIS A 20 14.371 2.873 -17.268 1.00 0.00 H new ATOM 0 HE1 HIS A 20 17.250 4.787 -14.821 1.00 0.00 H new ATOM 337 N THR A 21 12.195 5.792 -20.621 1.00 0.00 N ATOM 338 CA THR A 21 11.013 6.268 -21.322 1.00 0.00 C ATOM 339 C THR A 21 9.886 6.588 -20.344 1.00 0.00 C ATOM 340 O THR A 21 9.528 5.754 -19.510 1.00 0.00 O ATOM 341 CB THR A 21 10.535 5.207 -22.330 1.00 0.00 C ATOM 342 OG1 THR A 21 11.468 5.119 -23.413 1.00 0.00 O ATOM 343 CG2 THR A 21 9.141 5.520 -22.862 1.00 0.00 C ATOM 0 H THR A 21 12.390 4.800 -20.757 1.00 0.00 H new ATOM 0 HA THR A 21 11.281 7.182 -21.852 1.00 0.00 H new ATOM 0 HB THR A 21 10.480 4.249 -21.812 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.163 4.442 -24.053 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.840 4.748 -23.570 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.433 5.548 -22.034 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.152 6.488 -23.363 1.00 0.00 H new ATOM 351 N CYS A 22 9.350 7.805 -20.423 1.00 0.00 N ATOM 352 CA CYS A 22 8.193 8.162 -19.621 1.00 0.00 C ATOM 353 C CYS A 22 6.963 7.379 -20.069 1.00 0.00 C ATOM 354 O CYS A 22 6.506 7.508 -21.205 1.00 0.00 O ATOM 355 CB CYS A 22 7.903 9.659 -19.690 1.00 0.00 C ATOM 356 SG CYS A 22 9.079 10.692 -18.761 1.00 0.00 S ATOM 0 H CYS A 22 9.697 8.549 -21.028 1.00 0.00 H new ATOM 0 HA CYS A 22 8.425 7.905 -18.587 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.909 9.971 -20.734 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.898 9.841 -19.309 1.00 0.00 H new ATOM 361 N GLN A 23 6.476 6.530 -19.189 1.00 0.00 N ATOM 362 CA GLN A 23 5.208 5.846 -19.373 1.00 0.00 C ATOM 363 C GLN A 23 4.040 6.838 -19.267 1.00 0.00 C ATOM 364 O GLN A 23 4.086 7.785 -18.477 1.00 0.00 O ATOM 365 CB GLN A 23 5.083 4.756 -18.311 1.00 0.00 C ATOM 366 CG GLN A 23 3.704 4.150 -18.214 1.00 0.00 C ATOM 367 CD GLN A 23 3.260 4.010 -16.782 1.00 0.00 C ATOM 368 OE1 GLN A 23 3.492 2.996 -16.129 1.00 0.00 O ATOM 369 NE2 GLN A 23 2.642 5.052 -16.273 1.00 0.00 N ATOM 0 H GLN A 23 6.951 6.291 -18.318 1.00 0.00 H new ATOM 0 HA GLN A 23 5.174 5.397 -20.366 1.00 0.00 H new ATOM 0 HB2 GLN A 23 5.802 3.966 -18.529 1.00 0.00 H new ATOM 0 HB3 GLN A 23 5.354 5.174 -17.342 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.993 4.773 -18.757 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.701 3.171 -18.694 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.469 5.875 -16.851 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.335 5.038 -15.300 1.00 0.00 H new ATOM 378 N HIS A 24 3.002 6.602 -20.067 1.00 0.00 N ATOM 379 CA HIS A 24 1.829 7.482 -20.133 1.00 0.00 C ATOM 380 C HIS A 24 1.075 7.535 -18.806 1.00 0.00 C ATOM 381 O HIS A 24 1.001 6.550 -18.071 1.00 0.00 O ATOM 382 CB HIS A 24 0.870 7.003 -21.225 1.00 0.00 C ATOM 383 CG HIS A 24 1.393 7.156 -22.620 1.00 0.00 C ATOM 384 ND1 HIS A 24 2.295 6.288 -23.180 1.00 0.00 N ATOM 385 CD2 HIS A 24 1.127 8.082 -23.571 1.00 0.00 C ATOM 386 CE1 HIS A 24 2.567 6.669 -24.410 1.00 0.00 C ATOM 387 NE2 HIS A 24 1.869 7.756 -24.678 1.00 0.00 N ATOM 0 H HIS A 24 2.947 5.796 -20.689 1.00 0.00 H new ATOM 0 HA HIS A 24 2.195 8.483 -20.361 1.00 0.00 H new ATOM 0 HB2 HIS A 24 0.636 5.953 -21.051 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -0.065 7.556 -21.138 1.00 0.00 H new ATOM 0 HD2 HIS A 24 0.455 8.922 -23.476 1.00 0.00 H new ATOM 0 HE1 HIS A 24 3.248 6.174 -25.087 1.00 0.00 H new ATOM 0 HE2 HIS A 24 1.879 8.268 -25.560 1.00 0.00 H new ATOM 396 N TRP A 25 0.520 8.707 -18.510 1.00 0.00 N ATOM 397 CA TRP A 25 -0.287 8.914 -17.311 1.00 0.00 C ATOM 398 C TRP A 25 -1.594 8.134 -17.382 1.00 0.00 C ATOM 399 O TRP A 25 -2.093 7.646 -16.370 1.00 0.00 O ATOM 400 CB TRP A 25 -0.587 10.398 -17.116 1.00 0.00 C ATOM 401 CG TRP A 25 0.643 11.239 -17.049 1.00 0.00 C ATOM 402 CD1 TRP A 25 1.094 12.105 -17.999 1.00 0.00 C ATOM 403 CD2 TRP A 25 1.589 11.284 -15.979 1.00 0.00 C ATOM 404 NE1 TRP A 25 2.260 12.691 -17.581 1.00 0.00 N ATOM 405 CE2 TRP A 25 2.589 12.200 -16.347 1.00 0.00 C ATOM 406 CE3 TRP A 25 1.687 10.639 -14.746 1.00 0.00 C ATOM 407 CZ2 TRP A 25 3.674 12.484 -15.526 1.00 0.00 C ATOM 408 CZ3 TRP A 25 2.764 10.921 -13.931 1.00 0.00 C ATOM 409 CH2 TRP A 25 3.746 11.835 -14.324 1.00 0.00 C ATOM 0 H TRP A 25 0.617 9.538 -19.093 1.00 0.00 H new ATOM 0 HA TRP A 25 0.289 8.548 -16.461 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -1.214 10.747 -17.936 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -1.160 10.529 -16.198 1.00 0.00 H new ATOM 0 HD1 TRP A 25 0.605 12.301 -18.942 1.00 0.00 H new ATOM 0 HE1 TRP A 25 2.796 13.382 -18.105 1.00 0.00 H new ATOM 0 HE3 TRP A 25 0.933 9.931 -14.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 4.433 13.191 -15.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 2.850 10.428 -12.974 1.00 0.00 H new ATOM 0 HH2 TRP A 25 4.579 12.033 -13.665 1.00 0.00 H new ATOM 420 N SER A 26 -2.148 8.033 -18.581 1.00 0.00 N ATOM 421 CA SER A 26 -3.382 7.300 -18.804 1.00 0.00 C ATOM 422 C SER A 26 -3.135 5.794 -18.765 1.00 0.00 C ATOM 423 O SER A 26 -4.070 4.993 -18.689 1.00 0.00 O ATOM 424 CB SER A 26 -3.968 7.724 -20.148 1.00 0.00 C ATOM 425 OG SER A 26 -2.956 7.769 -21.144 1.00 0.00 O ATOM 0 H SER A 26 -1.756 8.455 -19.422 1.00 0.00 H new ATOM 0 HA SER A 26 -4.092 7.531 -18.010 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.749 7.025 -20.447 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.436 8.704 -20.054 1.00 0.00 H new ATOM 0 HG SER A 26 -3.350 8.041 -21.999 1.00 0.00 H new ATOM 431 N ALA A 27 -1.866 5.421 -18.798 1.00 0.00 N ATOM 432 CA ALA A 27 -1.470 4.031 -18.752 1.00 0.00 C ATOM 433 C ALA A 27 -1.163 3.618 -17.324 1.00 0.00 C ATOM 434 O ALA A 27 -0.352 4.247 -16.648 1.00 0.00 O ATOM 435 CB ALA A 27 -0.255 3.799 -19.636 1.00 0.00 C ATOM 0 H ALA A 27 -1.086 6.075 -18.857 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.295 3.423 -19.123 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.032 2.748 -19.592 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.497 4.066 -20.665 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.573 4.416 -19.286 1.00 0.00 H new ATOM 441 N GLN A 28 -1.826 2.579 -16.861 1.00 0.00 N ATOM 442 CA GLN A 28 -1.536 2.008 -15.552 1.00 0.00 C ATOM 443 C GLN A 28 -0.563 0.844 -15.711 1.00 0.00 C ATOM 444 O GLN A 28 -0.367 0.034 -14.810 1.00 0.00 O ATOM 445 CB GLN A 28 -2.821 1.551 -14.864 1.00 0.00 C ATOM 446 CG GLN A 28 -3.711 2.694 -14.390 1.00 0.00 C ATOM 447 CD GLN A 28 -3.227 3.283 -13.092 1.00 0.00 C ATOM 448 OE1 GLN A 28 -3.651 2.877 -12.012 1.00 0.00 O ATOM 449 NE2 GLN A 28 -2.314 4.229 -13.185 1.00 0.00 N ATOM 0 H GLN A 28 -2.573 2.107 -17.370 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.078 2.771 -14.923 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -3.387 0.925 -15.554 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.561 0.928 -14.008 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.740 3.472 -15.153 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.731 2.332 -14.266 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -1.990 4.536 -14.102 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.932 4.654 -12.340 1.00 0.00 H new ATOM 458 N THR A 29 0.018 0.771 -16.893 1.00 0.00 N ATOM 459 CA THR A 29 1.044 -0.201 -17.220 1.00 0.00 C ATOM 460 C THR A 29 2.162 0.523 -17.964 1.00 0.00 C ATOM 461 O THR A 29 1.877 1.412 -18.764 1.00 0.00 O ATOM 462 CB THR A 29 0.455 -1.328 -18.098 1.00 0.00 C ATOM 463 OG1 THR A 29 -0.670 -1.913 -17.427 1.00 0.00 O ATOM 464 CG2 THR A 29 1.486 -2.409 -18.394 1.00 0.00 C ATOM 0 H THR A 29 -0.213 1.395 -17.666 1.00 0.00 H new ATOM 0 HA THR A 29 1.434 -0.656 -16.310 1.00 0.00 H new ATOM 0 HB THR A 29 0.146 -0.890 -19.047 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.047 -2.627 -17.982 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.034 -3.183 -19.014 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.332 -1.970 -18.922 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.831 -2.849 -17.458 1.00 0.00 H new ATOM 472 N PRO A 30 3.448 0.197 -17.720 1.00 0.00 N ATOM 473 CA PRO A 30 3.882 -0.868 -16.795 1.00 0.00 C ATOM 474 C PRO A 30 3.538 -0.621 -15.318 1.00 0.00 C ATOM 475 O PRO A 30 3.075 -1.529 -14.628 1.00 0.00 O ATOM 476 CB PRO A 30 5.407 -0.896 -16.976 1.00 0.00 C ATOM 477 CG PRO A 30 5.760 0.437 -17.547 1.00 0.00 C ATOM 478 CD PRO A 30 4.591 0.848 -18.381 1.00 0.00 C ATOM 0 HA PRO A 30 3.369 -1.801 -17.029 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.913 -1.063 -16.025 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.709 -1.703 -17.644 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.950 1.163 -16.756 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.667 0.376 -18.149 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.477 1.932 -18.404 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.699 0.516 -19.414 1.00 0.00 H new ATOM 486 N HIS A 31 3.765 0.595 -14.832 1.00 0.00 N ATOM 487 CA HIS A 31 3.626 0.873 -13.403 1.00 0.00 C ATOM 488 C HIS A 31 2.214 1.334 -13.038 1.00 0.00 C ATOM 489 O HIS A 31 1.700 2.305 -13.599 1.00 0.00 O ATOM 490 CB HIS A 31 4.669 1.900 -12.936 1.00 0.00 C ATOM 491 CG HIS A 31 6.067 1.348 -12.867 1.00 0.00 C ATOM 492 ND1 HIS A 31 6.357 0.072 -12.436 1.00 0.00 N ATOM 493 CD2 HIS A 31 7.259 1.914 -13.177 1.00 0.00 C ATOM 494 CE1 HIS A 31 7.662 -0.124 -12.484 1.00 0.00 C ATOM 495 NE2 HIS A 31 8.235 0.977 -12.933 1.00 0.00 N ATOM 0 H HIS A 31 4.043 1.397 -15.397 1.00 0.00 H new ATOM 0 HA HIS A 31 3.806 -0.066 -12.880 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.657 2.753 -13.615 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.385 2.272 -11.952 1.00 0.00 H new ATOM 0 HD2 HIS A 31 7.414 2.917 -13.548 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.174 -1.032 -12.203 1.00 0.00 H new ATOM 0 HE2 HIS A 31 9.236 1.111 -13.075 1.00 0.00 H new ATOM 504 N THR A 32 1.610 0.643 -12.073 1.00 0.00 N ATOM 505 CA THR A 32 0.271 0.967 -11.592 1.00 0.00 C ATOM 506 C THR A 32 0.313 2.155 -10.634 1.00 0.00 C ATOM 507 O THR A 32 0.318 2.005 -9.413 1.00 0.00 O ATOM 508 CB THR A 32 -0.363 -0.248 -10.895 1.00 0.00 C ATOM 509 OG1 THR A 32 0.640 -0.954 -10.149 1.00 0.00 O ATOM 510 CG2 THR A 32 -1.012 -1.184 -11.906 1.00 0.00 C ATOM 0 H THR A 32 2.036 -0.156 -11.604 1.00 0.00 H new ATOM 0 HA THR A 32 -0.340 1.236 -12.454 1.00 0.00 H new ATOM 0 HB THR A 32 -1.139 0.110 -10.218 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.233 -1.727 -9.704 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.452 -2.034 -11.385 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.791 -0.649 -12.450 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.258 -1.540 -12.608 1.00 0.00 H new ATOM 518 N HIS A 33 0.362 3.339 -11.215 1.00 0.00 N ATOM 519 CA HIS A 33 0.566 4.573 -10.457 1.00 0.00 C ATOM 520 C HIS A 33 -0.744 5.238 -10.073 1.00 0.00 C ATOM 521 O HIS A 33 -1.736 5.116 -10.772 1.00 0.00 O ATOM 522 CB HIS A 33 1.409 5.547 -11.268 1.00 0.00 C ATOM 523 CG HIS A 33 0.845 5.844 -12.623 1.00 0.00 C ATOM 524 ND1 HIS A 33 0.136 6.986 -12.912 1.00 0.00 N ATOM 525 CD2 HIS A 33 0.893 5.138 -13.771 1.00 0.00 C ATOM 526 CE1 HIS A 33 -0.229 6.964 -14.175 1.00 0.00 C ATOM 527 NE2 HIS A 33 0.219 5.857 -14.719 1.00 0.00 N ATOM 0 H HIS A 33 0.263 3.479 -12.220 1.00 0.00 H new ATOM 0 HA HIS A 33 1.083 4.303 -9.536 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.507 6.479 -10.712 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.413 5.137 -11.383 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.374 4.182 -13.915 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.801 7.728 -14.680 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.086 5.578 -15.691 1.00 0.00 H new ATOM 536 N ASN A 34 -0.717 5.995 -8.989 1.00 0.00 N ATOM 537 CA ASN A 34 -1.912 6.671 -8.502 1.00 0.00 C ATOM 538 C ASN A 34 -1.953 8.123 -8.980 1.00 0.00 C ATOM 539 O ASN A 34 -2.727 8.932 -8.483 1.00 0.00 O ATOM 540 CB ASN A 34 -1.964 6.632 -6.974 1.00 0.00 C ATOM 541 CG ASN A 34 -1.731 5.240 -6.399 1.00 0.00 C ATOM 542 OD1 ASN A 34 -1.215 5.095 -5.293 1.00 0.00 O ATOM 543 ND2 ASN A 34 -2.087 4.208 -7.150 1.00 0.00 N ATOM 0 H ASN A 34 0.119 6.158 -8.428 1.00 0.00 H new ATOM 0 HA ASN A 34 -2.779 6.146 -8.904 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -1.213 7.313 -6.574 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.935 6.997 -6.641 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -1.935 3.257 -6.815 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.513 4.365 -8.063 1.00 0.00 H new ATOM 550 N ARG A 36 -1.088 8.461 -9.927 1.00 0.00 N ATOM 551 CA ARG A 36 -1.118 9.787 -10.537 1.00 0.00 C ATOM 552 C ARG A 36 -1.614 9.688 -11.971 1.00 0.00 C ATOM 553 O ARG A 36 -0.822 9.541 -12.897 1.00 0.00 O ATOM 554 CB ARG A 36 0.262 10.474 -10.511 1.00 0.00 C ATOM 555 CG ARG A 36 0.704 10.994 -9.146 1.00 0.00 C ATOM 556 CD ARG A 36 1.149 9.868 -8.229 1.00 0.00 C ATOM 557 NE ARG A 36 1.597 10.355 -6.923 1.00 0.00 N ATOM 558 CZ ARG A 36 1.556 9.633 -5.800 1.00 0.00 C ATOM 559 NH1 ARG A 36 1.005 8.427 -5.801 1.00 0.00 N1+ ATOM 560 NH2 ARG A 36 2.046 10.130 -4.676 1.00 0.00 N ATOM 0 H ARG A 36 -0.362 7.842 -10.288 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.801 10.399 -9.948 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.009 9.767 -10.872 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.248 11.308 -11.213 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.522 11.702 -9.275 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.118 11.538 -8.681 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.324 9.169 -8.090 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.959 9.314 -8.704 1.00 0.00 H new ATOM 0 HE ARG A 36 1.963 11.305 -6.867 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.610 8.047 -6.662 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.976 7.879 -4.941 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.455 11.064 -4.667 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.015 9.579 -3.818 1.00 0.00 H new ATOM 574 N THR A 37 -2.920 9.757 -12.141 1.00 0.00 N ATOM 575 CA THR A 37 -3.546 9.622 -13.445 1.00 0.00 C ATOM 576 C THR A 37 -4.417 10.838 -13.718 1.00 0.00 C ATOM 577 O THR A 37 -4.763 11.567 -12.789 1.00 0.00 O ATOM 578 CB THR A 37 -4.424 8.353 -13.500 1.00 0.00 C ATOM 579 OG1 THR A 37 -5.335 8.353 -12.394 1.00 0.00 O ATOM 580 CG2 THR A 37 -3.569 7.095 -13.464 1.00 0.00 C ATOM 0 H THR A 37 -3.580 9.909 -11.378 1.00 0.00 H new ATOM 0 HA THR A 37 -2.762 9.544 -14.198 1.00 0.00 H new ATOM 0 HB THR A 37 -4.982 8.359 -14.437 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.893 7.548 -12.430 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.213 6.216 -13.504 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.894 7.089 -14.320 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.987 7.077 -12.543 1.00 0.00 H new ATOM 588 N PRO A 38 -4.772 11.095 -14.987 1.00 0.00 N ATOM 589 CA PRO A 38 -5.690 12.182 -15.339 1.00 0.00 C ATOM 590 C PRO A 38 -7.105 11.946 -14.800 1.00 0.00 C ATOM 591 O PRO A 38 -8.032 12.704 -15.084 1.00 0.00 O ATOM 592 CB PRO A 38 -5.680 12.208 -16.870 1.00 0.00 C ATOM 593 CG PRO A 38 -5.100 10.902 -17.304 1.00 0.00 C ATOM 594 CD PRO A 38 -4.266 10.383 -16.170 1.00 0.00 C ATOM 0 HA PRO A 38 -5.377 13.129 -14.899 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.688 12.337 -17.264 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.084 13.042 -17.241 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.891 10.195 -17.554 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.493 11.030 -18.200 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.373 9.304 -16.060 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.207 10.584 -16.332 1.00 0.00 H new ATOM 602 N GLU A 39 -7.258 10.872 -14.030 1.00 0.00 N ATOM 603 CA GLU A 39 -8.485 10.603 -13.297 1.00 0.00 C ATOM 604 C GLU A 39 -8.332 11.090 -11.858 1.00 0.00 C ATOM 605 O GLU A 39 -9.309 11.420 -11.187 1.00 0.00 O ATOM 606 CB GLU A 39 -8.775 9.104 -13.298 1.00 0.00 C ATOM 607 CG GLU A 39 -8.721 8.475 -14.676 1.00 0.00 C ATOM 608 CD GLU A 39 -8.918 6.976 -14.634 1.00 0.00 C ATOM 609 OE1 GLU A 39 -8.107 6.285 -13.986 1.00 0.00 O ATOM 610 OE2 GLU A 39 -9.876 6.476 -15.259 1.00 0.00 O1- ATOM 0 H GLU A 39 -6.534 10.166 -13.899 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.312 11.127 -13.777 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.055 8.603 -12.651 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.762 8.933 -12.869 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.489 8.922 -15.307 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.759 8.700 -15.137 1.00 0.00 H new ATOM 617 N ASN A 40 -7.086 11.138 -11.407 1.00 0.00 N ATOM 618 CA ASN A 40 -6.756 11.516 -10.037 1.00 0.00 C ATOM 619 C ASN A 40 -6.323 12.968 -9.964 1.00 0.00 C ATOM 620 O ASN A 40 -6.618 13.676 -8.999 1.00 0.00 O ATOM 621 CB ASN A 40 -5.637 10.613 -9.500 1.00 0.00 C ATOM 622 CG ASN A 40 -6.164 9.351 -8.847 1.00 0.00 C ATOM 623 OD1 ASN A 40 -7.259 8.889 -9.162 1.00 0.00 O ATOM 624 ND2 ASN A 40 -5.380 8.768 -7.954 1.00 0.00 N ATOM 0 H ASN A 40 -6.273 10.916 -11.981 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.649 11.392 -9.424 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -4.971 10.342 -10.319 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -5.042 11.170 -8.776 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -5.678 7.904 -7.501 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -4.478 9.182 -7.719 1.00 0.00 H new ATOM 631 N PHE A 41 -5.635 13.405 -11.001 1.00 0.00 N ATOM 632 CA PHE A 41 -5.160 14.776 -11.094 1.00 0.00 C ATOM 633 C PHE A 41 -5.486 15.344 -12.474 1.00 0.00 C ATOM 634 O PHE A 41 -4.583 15.671 -13.245 1.00 0.00 O ATOM 635 CB PHE A 41 -3.647 14.840 -10.855 1.00 0.00 C ATOM 636 CG PHE A 41 -3.213 14.324 -9.512 1.00 0.00 C ATOM 637 CD1 PHE A 41 -2.957 12.974 -9.320 1.00 0.00 C ATOM 638 CD2 PHE A 41 -3.052 15.191 -8.444 1.00 0.00 C ATOM 639 CE1 PHE A 41 -2.549 12.502 -8.087 1.00 0.00 C ATOM 640 CE2 PHE A 41 -2.645 14.723 -7.209 1.00 0.00 C ATOM 641 CZ PHE A 41 -2.394 13.377 -7.030 1.00 0.00 C ATOM 0 H PHE A 41 -5.389 12.823 -11.802 1.00 0.00 H new ATOM 0 HA PHE A 41 -5.660 15.369 -10.328 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.143 14.266 -11.632 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.318 15.874 -10.958 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.078 12.285 -10.143 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.247 16.245 -8.578 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.351 11.449 -7.950 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.523 15.410 -6.384 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.077 13.009 -6.065 1.00 0.00 H new ATOM 651 N PRO A 42 -6.781 15.467 -12.809 1.00 0.00 N ATOM 652 CA PRO A 42 -7.208 15.940 -14.130 1.00 0.00 C ATOM 653 C PRO A 42 -6.750 17.371 -14.405 1.00 0.00 C ATOM 654 O PRO A 42 -6.222 17.678 -15.475 1.00 0.00 O ATOM 655 CB PRO A 42 -8.741 15.867 -14.072 1.00 0.00 C ATOM 656 CG PRO A 42 -9.050 14.975 -12.919 1.00 0.00 C ATOM 657 CD PRO A 42 -7.931 15.168 -11.939 1.00 0.00 C ATOM 0 HA PRO A 42 -6.777 15.341 -14.932 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.177 16.856 -13.931 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.151 15.467 -14.999 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.010 15.233 -12.472 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.116 13.934 -13.237 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -8.137 15.984 -11.246 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -7.762 14.275 -11.338 1.00 0.00 H new ATOM 665 N SER A 43 -6.910 18.231 -13.412 1.00 0.00 N ATOM 666 CA SER A 43 -6.562 19.640 -13.543 1.00 0.00 C ATOM 667 C SER A 43 -5.057 19.864 -13.388 1.00 0.00 C ATOM 668 O SER A 43 -4.606 20.994 -13.215 1.00 0.00 O ATOM 669 CB SER A 43 -7.323 20.452 -12.497 1.00 0.00 C ATOM 670 OG SER A 43 -7.190 19.864 -11.212 1.00 0.00 O ATOM 0 H SER A 43 -7.282 17.976 -12.497 1.00 0.00 H new ATOM 0 HA SER A 43 -6.844 19.970 -14.543 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.944 21.474 -12.476 1.00 0.00 H new ATOM 0 HB3 SER A 43 -8.377 20.509 -12.769 1.00 0.00 H new ATOM 0 HG SER A 43 -7.683 20.399 -10.555 1.00 0.00 H new ATOM 676 N LYS A 44 -4.286 18.786 -13.450 1.00 0.00 N ATOM 677 CA LYS A 44 -2.841 18.878 -13.331 1.00 0.00 C ATOM 678 C LYS A 44 -2.188 18.610 -14.686 1.00 0.00 C ATOM 679 O LYS A 44 -0.964 18.627 -14.821 1.00 0.00 O ATOM 680 CB LYS A 44 -2.332 17.892 -12.275 1.00 0.00 C ATOM 681 CG LYS A 44 -0.888 18.124 -11.848 1.00 0.00 C ATOM 682 CD LYS A 44 -0.674 19.487 -11.192 1.00 0.00 C ATOM 683 CE LYS A 44 -1.555 19.681 -9.966 1.00 0.00 C ATOM 684 NZ LYS A 44 -1.130 20.858 -9.158 1.00 0.00 N1+ ATOM 0 H LYS A 44 -4.640 17.838 -13.582 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.573 19.885 -13.012 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.974 17.955 -11.396 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.425 16.879 -12.666 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.590 17.340 -11.151 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.239 18.040 -12.719 1.00 0.00 H new ATOM 0 HD2 LYS A 44 0.372 19.590 -10.905 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.884 20.274 -11.916 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.591 19.811 -10.280 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.519 18.784 -9.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.955 21.459 -8.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.715 20.532 -8.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.422 21.406 -9.688 1.00 0.00 H new ATOM 698 N ASN A 45 -3.039 18.348 -15.682 1.00 0.00 N ATOM 699 CA ASN A 45 -2.610 18.209 -17.076 1.00 0.00 C ATOM 700 C ASN A 45 -1.789 16.949 -17.312 1.00 0.00 C ATOM 701 O ASN A 45 -0.712 17.004 -17.884 1.00 0.00 O ATOM 702 CB ASN A 45 -1.812 19.440 -17.529 1.00 0.00 C ATOM 703 CG ASN A 45 -2.697 20.595 -17.967 1.00 0.00 C ATOM 704 OD1 ASN A 45 -2.332 21.368 -18.849 1.00 0.00 O ATOM 705 ND2 ASN A 45 -3.861 20.731 -17.348 1.00 0.00 N ATOM 0 H ASN A 45 -4.042 18.227 -15.545 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.520 18.127 -17.671 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.171 19.771 -16.712 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.158 19.158 -18.354 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.486 21.497 -17.600 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.132 20.070 -16.620 1.00 0.00 H new ATOM 712 N LEU A 46 -2.310 15.808 -16.901 1.00 0.00 N ATOM 713 CA LEU A 46 -1.632 14.534 -17.132 1.00 0.00 C ATOM 714 C LEU A 46 -1.844 14.066 -18.570 1.00 0.00 C ATOM 715 O LEU A 46 -2.526 13.075 -18.837 1.00 0.00 O ATOM 716 CB LEU A 46 -2.119 13.492 -16.121 1.00 0.00 C ATOM 717 CG LEU A 46 -1.227 13.317 -14.876 1.00 0.00 C ATOM 718 CD1 LEU A 46 -0.272 14.490 -14.699 1.00 0.00 C ATOM 719 CD2 LEU A 46 -2.073 13.150 -13.620 1.00 0.00 C ATOM 0 H LEU A 46 -3.198 15.731 -16.406 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.560 14.668 -16.988 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.122 13.768 -15.794 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.202 12.530 -16.627 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.636 12.414 -15.031 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.340 14.330 -13.811 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.373 14.570 -15.574 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.844 15.411 -14.585 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.421 13.028 -12.755 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.697 14.033 -13.482 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.707 12.269 -13.723 1.00 0.00 H new ATOM 731 N ASP A 47 -1.234 14.809 -19.485 1.00 0.00 N ATOM 732 CA ASP A 47 -1.340 14.559 -20.915 1.00 0.00 C ATOM 733 C ASP A 47 -0.277 13.577 -21.377 1.00 0.00 C ATOM 734 O ASP A 47 0.905 13.743 -21.060 1.00 0.00 O ATOM 735 CB ASP A 47 -1.163 15.865 -21.689 1.00 0.00 C ATOM 736 CG ASP A 47 -2.260 16.869 -21.423 1.00 0.00 C ATOM 737 OD1 ASP A 47 -3.362 16.722 -21.984 1.00 0.00 O1- ATOM 738 OD2 ASP A 47 -2.017 17.821 -20.651 1.00 0.00 O1- ATOM 0 H ASP A 47 -0.646 15.609 -19.252 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.327 14.137 -21.106 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.202 16.308 -21.426 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.131 15.646 -22.756 1.00 0.00 H new ATOM 743 N GLU A 48 -0.706 12.576 -22.138 1.00 0.00 N ATOM 744 CA GLU A 48 0.193 11.598 -22.742 1.00 0.00 C ATOM 745 C GLU A 48 1.149 10.989 -21.723 1.00 0.00 C ATOM 746 O GLU A 48 0.736 10.313 -20.783 1.00 0.00 O ATOM 747 CB GLU A 48 1.001 12.234 -23.879 1.00 0.00 C ATOM 748 CG GLU A 48 0.167 12.688 -25.056 1.00 0.00 C ATOM 749 CD GLU A 48 -0.494 11.532 -25.776 1.00 0.00 C ATOM 750 OE1 GLU A 48 -1.585 11.104 -25.348 1.00 0.00 O ATOM 751 OE2 GLU A 48 0.086 11.044 -26.765 1.00 0.00 O1- ATOM 0 H GLU A 48 -1.690 12.419 -22.354 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.434 10.800 -23.139 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.549 13.090 -23.485 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.742 11.515 -24.229 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.599 13.382 -24.709 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.799 13.235 -25.756 1.00 0.00 H new ATOM 758 N ASN A 49 2.431 11.237 -21.936 1.00 0.00 N ATOM 759 CA ASN A 49 3.478 10.768 -21.049 1.00 0.00 C ATOM 760 C ASN A 49 4.463 11.892 -20.781 1.00 0.00 C ATOM 761 O ASN A 49 5.567 11.665 -20.292 1.00 0.00 O ATOM 762 CB ASN A 49 4.202 9.566 -21.665 1.00 0.00 C ATOM 763 CG ASN A 49 4.881 9.885 -22.990 1.00 0.00 C ATOM 764 OD1 ASN A 49 4.435 10.748 -23.750 1.00 0.00 O ATOM 765 ND2 ASN A 49 5.960 9.178 -23.281 1.00 0.00 N ATOM 0 H ASN A 49 2.774 11.772 -22.734 1.00 0.00 H new ATOM 0 HA ASN A 49 3.029 10.454 -20.107 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.949 9.201 -20.961 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.486 8.758 -21.817 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.453 9.338 -24.159 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.299 8.472 -22.627 1.00 0.00 H new ATOM 772 N TYR A 50 4.051 13.102 -21.134 1.00 0.00 N ATOM 773 CA TYR A 50 4.850 14.294 -20.900 1.00 0.00 C ATOM 774 C TYR A 50 5.190 14.419 -19.427 1.00 0.00 C ATOM 775 O TYR A 50 4.361 14.123 -18.567 1.00 0.00 O ATOM 776 CB TYR A 50 4.087 15.543 -21.341 1.00 0.00 C ATOM 777 CG TYR A 50 3.488 15.459 -22.729 1.00 0.00 C ATOM 778 CD1 TYR A 50 3.996 14.582 -23.673 1.00 0.00 C ATOM 779 CD2 TYR A 50 2.415 16.264 -23.092 1.00 0.00 C ATOM 780 CE1 TYR A 50 3.455 14.506 -24.942 1.00 0.00 C ATOM 781 CE2 TYR A 50 1.865 16.193 -24.359 1.00 0.00 C ATOM 782 CZ TYR A 50 2.392 15.312 -25.280 1.00 0.00 C ATOM 783 OH TYR A 50 1.854 15.230 -26.545 1.00 0.00 O ATOM 0 H TYR A 50 3.156 13.283 -21.589 1.00 0.00 H new ATOM 0 HA TYR A 50 5.768 14.205 -21.481 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.287 15.736 -20.626 1.00 0.00 H new ATOM 0 HB3 TYR A 50 4.762 16.398 -21.302 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.830 13.947 -23.413 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.004 16.957 -22.373 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.865 13.817 -25.666 1.00 0.00 H new ATOM 0 HE2 TYR A 50 1.029 16.823 -24.625 1.00 0.00 H new ATOM 0 HH TYR A 50 1.110 15.862 -26.626 1.00 0.00 H new ATOM 793 N CYS A 51 6.405 14.856 -19.147 1.00 0.00 N ATOM 794 CA CYS A 51 6.853 15.050 -17.776 1.00 0.00 C ATOM 795 C CYS A 51 6.004 16.093 -17.060 1.00 0.00 C ATOM 796 O CYS A 51 6.262 17.288 -17.157 1.00 0.00 O ATOM 797 CB CYS A 51 8.309 15.489 -17.755 1.00 0.00 C ATOM 798 SG CYS A 51 9.489 14.244 -18.351 1.00 0.00 S ATOM 0 H CYS A 51 7.104 15.085 -19.854 1.00 0.00 H new ATOM 0 HA CYS A 51 6.748 14.098 -17.256 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.412 16.387 -18.364 1.00 0.00 H new ATOM 0 HB3 CYS A 51 8.576 15.763 -16.735 1.00 0.00 H new ATOM 803 N ARG A 52 4.966 15.638 -16.385 1.00 0.00 N ATOM 804 CA ARG A 52 4.137 16.510 -15.577 1.00 0.00 C ATOM 805 C ARG A 52 4.581 16.449 -14.125 1.00 0.00 C ATOM 806 O ARG A 52 5.543 15.761 -13.792 1.00 0.00 O ATOM 807 CB ARG A 52 2.673 16.103 -15.700 1.00 0.00 C ATOM 808 CG ARG A 52 2.115 16.234 -17.111 1.00 0.00 C ATOM 809 CD ARG A 52 2.292 17.640 -17.675 1.00 0.00 C ATOM 810 NE ARG A 52 1.567 17.812 -18.935 1.00 0.00 N ATOM 811 CZ ARG A 52 1.604 18.912 -19.684 1.00 0.00 C ATOM 812 NH1 ARG A 52 2.403 19.915 -19.352 1.00 0.00 N1+ ATOM 813 NH2 ARG A 52 0.827 19.015 -20.758 1.00 0.00 N ATOM 0 H ARG A 52 4.675 14.660 -16.381 1.00 0.00 H new ATOM 0 HA ARG A 52 4.245 17.534 -15.935 1.00 0.00 H new ATOM 0 HB2 ARG A 52 2.564 15.070 -15.371 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.077 16.717 -15.025 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.613 15.518 -17.764 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.056 15.978 -17.106 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.938 18.371 -16.948 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.352 17.837 -17.835 1.00 0.00 H new ATOM 0 HE ARG A 52 0.993 17.035 -19.262 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.991 19.845 -18.521 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.430 20.757 -19.927 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.201 18.250 -21.010 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.857 19.859 -21.330 1.00 0.00 H new ATOM 827 N ASN A 53 3.888 17.170 -13.268 1.00 0.00 N ATOM 828 CA ASN A 53 4.155 17.098 -11.840 1.00 0.00 C ATOM 829 C ASN A 53 2.841 17.072 -11.061 1.00 0.00 C ATOM 830 O ASN A 53 2.470 18.039 -10.397 1.00 0.00 O ATOM 831 CB ASN A 53 5.049 18.266 -11.412 1.00 0.00 C ATOM 832 CG ASN A 53 5.472 18.196 -9.956 1.00 0.00 C ATOM 833 OD1 ASN A 53 5.306 17.171 -9.289 1.00 0.00 O ATOM 834 ND2 ASN A 53 6.059 19.280 -9.468 1.00 0.00 N ATOM 0 H ASN A 53 3.139 17.811 -13.530 1.00 0.00 H new ATOM 0 HA ASN A 53 4.689 16.175 -11.616 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.939 18.283 -12.041 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.519 19.203 -11.584 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.394 19.288 -8.505 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.175 20.105 -10.056 1.00 0.00 H new ATOM 841 N PRO A 54 2.108 15.949 -11.161 1.00 0.00 N ATOM 842 CA PRO A 54 0.817 15.775 -10.491 1.00 0.00 C ATOM 843 C PRO A 54 0.950 15.616 -8.983 1.00 0.00 C ATOM 844 O PRO A 54 0.209 16.228 -8.219 1.00 0.00 O ATOM 845 CB PRO A 54 0.255 14.496 -11.114 1.00 0.00 C ATOM 846 CG PRO A 54 1.442 13.744 -11.613 1.00 0.00 C ATOM 847 CD PRO A 54 2.486 14.768 -11.959 1.00 0.00 C ATOM 0 HA PRO A 54 0.178 16.648 -10.625 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.300 13.912 -10.380 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.435 14.725 -11.926 1.00 0.00 H new ATOM 0 HG2 PRO A 54 1.812 13.056 -10.853 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.182 13.145 -12.486 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.487 14.419 -11.705 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.487 14.991 -13.026 1.00 0.00 H new ATOM 855 N ASP A 55 1.893 14.778 -8.573 1.00 0.00 N ATOM 856 CA ASP A 55 2.143 14.512 -7.157 1.00 0.00 C ATOM 857 C ASP A 55 2.449 15.794 -6.387 1.00 0.00 C ATOM 858 O ASP A 55 1.912 16.028 -5.303 1.00 0.00 O ATOM 859 CB ASP A 55 3.308 13.533 -7.027 1.00 0.00 C ATOM 860 CG ASP A 55 3.762 13.342 -5.600 1.00 0.00 C ATOM 861 OD1 ASP A 55 4.601 14.135 -5.133 1.00 0.00 O1- ATOM 862 OD2 ASP A 55 3.305 12.384 -4.950 1.00 0.00 O1- ATOM 0 H ASP A 55 2.505 14.264 -9.207 1.00 0.00 H new ATOM 0 HA ASP A 55 1.241 14.078 -6.726 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.013 12.569 -7.441 1.00 0.00 H new ATOM 0 HB3 ASP A 55 4.146 13.893 -7.624 1.00 0.00 H new ATOM 867 N GLY A 56 3.308 16.623 -6.957 1.00 0.00 N ATOM 868 CA GLY A 56 3.669 17.867 -6.315 1.00 0.00 C ATOM 869 C GLY A 56 5.097 17.850 -5.831 1.00 0.00 C ATOM 870 O GLY A 56 5.374 18.116 -4.662 1.00 0.00 O ATOM 0 H GLY A 56 3.762 16.456 -7.855 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.532 18.691 -7.015 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.001 18.049 -5.473 1.00 0.00 H new ATOM 874 N LYS A 57 5.999 17.515 -6.734 1.00 0.00 N ATOM 875 CA LYS A 57 7.416 17.480 -6.439 1.00 0.00 C ATOM 876 C LYS A 57 8.046 18.833 -6.736 1.00 0.00 C ATOM 877 O LYS A 57 7.359 19.768 -7.134 1.00 0.00 O ATOM 878 CB LYS A 57 8.092 16.381 -7.265 1.00 0.00 C ATOM 879 CG LYS A 57 7.784 14.979 -6.769 1.00 0.00 C ATOM 880 CD LYS A 57 8.546 14.687 -5.484 1.00 0.00 C ATOM 881 CE LYS A 57 8.061 13.422 -4.793 1.00 0.00 C ATOM 882 NZ LYS A 57 6.840 13.665 -3.982 1.00 0.00 N1+ ATOM 0 H LYS A 57 5.768 17.259 -7.694 1.00 0.00 H new ATOM 0 HA LYS A 57 7.555 17.259 -5.381 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.773 16.469 -8.304 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.171 16.536 -7.248 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.713 14.876 -6.595 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.054 14.250 -7.532 1.00 0.00 H new ATOM 0 HD2 LYS A 57 9.608 14.589 -5.710 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.441 15.532 -4.803 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.853 12.657 -5.541 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.852 13.034 -4.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.762 12.935 -3.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.900 14.602 -3.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.002 13.628 -4.597 1.00 0.00 H new ATOM 896 N ARG A 59 9.347 18.929 -6.546 1.00 0.00 N ATOM 897 CA ARG A 59 10.075 20.157 -6.823 1.00 0.00 C ATOM 898 C ARG A 59 10.273 20.353 -8.320 1.00 0.00 C ATOM 899 O ARG A 59 10.609 21.446 -8.772 1.00 0.00 O ATOM 900 CB ARG A 59 11.430 20.100 -6.130 1.00 0.00 C ATOM 901 CG ARG A 59 12.263 18.902 -6.563 1.00 0.00 C ATOM 902 CD ARG A 59 13.416 18.653 -5.608 1.00 0.00 C ATOM 903 NE ARG A 59 12.964 18.513 -4.225 1.00 0.00 N ATOM 904 CZ ARG A 59 13.773 18.586 -3.168 1.00 0.00 C ATOM 905 NH1 ARG A 59 15.084 18.722 -3.334 1.00 0.00 N1+ ATOM 906 NH2 ARG A 59 13.279 18.514 -1.940 1.00 0.00 N ATOM 0 H ARG A 59 9.928 18.166 -6.198 1.00 0.00 H new ATOM 0 HA ARG A 59 9.495 20.999 -6.446 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.981 21.016 -6.343 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.280 20.062 -5.051 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.630 18.016 -6.611 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.651 19.071 -7.567 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.947 17.750 -5.909 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.126 19.477 -5.675 1.00 0.00 H new ATOM 0 HE ARG A 59 11.971 18.350 -4.059 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.477 18.771 -4.274 1.00 0.00 H new ATOM 0 HH12 ARG A 59 15.698 18.777 -2.521 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.275 18.402 -1.800 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.903 18.570 -1.135 1.00 0.00 H new ATOM 920 N ALA A 60 10.056 19.290 -9.077 1.00 0.00 N ATOM 921 CA ALA A 60 10.317 19.298 -10.507 1.00 0.00 C ATOM 922 C ALA A 60 9.454 18.258 -11.208 1.00 0.00 C ATOM 923 O ALA A 60 8.940 17.344 -10.561 1.00 0.00 O ATOM 924 CB ALA A 60 11.794 19.024 -10.765 1.00 0.00 C ATOM 0 H ALA A 60 9.697 18.404 -8.721 1.00 0.00 H new ATOM 0 HA ALA A 60 10.065 20.280 -10.907 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.983 19.031 -11.838 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.396 19.795 -10.285 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.060 18.049 -10.356 1.00 0.00 H new ATOM 930 N PRO A 61 9.278 18.392 -12.537 1.00 0.00 N ATOM 931 CA PRO A 61 8.536 17.423 -13.348 1.00 0.00 C ATOM 932 C PRO A 61 9.085 16.017 -13.182 1.00 0.00 C ATOM 933 O PRO A 61 10.303 15.820 -13.117 1.00 0.00 O ATOM 934 CB PRO A 61 8.761 17.904 -14.784 1.00 0.00 C ATOM 935 CG PRO A 61 9.034 19.353 -14.646 1.00 0.00 C ATOM 936 CD PRO A 61 9.782 19.507 -13.354 1.00 0.00 C ATOM 0 HA PRO A 61 7.485 17.372 -13.063 1.00 0.00 H new ATOM 0 HB2 PRO A 61 9.598 17.384 -15.251 1.00 0.00 H new ATOM 0 HB3 PRO A 61 7.885 17.722 -15.406 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.624 19.721 -15.485 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.107 19.926 -14.632 1.00 0.00 H new ATOM 0 HD2 PRO A 61 10.860 19.442 -13.503 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.583 20.471 -12.886 1.00 0.00 H new ATOM 944 N TRP A 62 8.196 15.047 -13.119 1.00 0.00 N ATOM 945 CA TRP A 62 8.589 13.667 -12.932 1.00 0.00 C ATOM 946 C TRP A 62 7.615 12.760 -13.667 1.00 0.00 C ATOM 947 O TRP A 62 6.476 13.144 -13.927 1.00 0.00 O ATOM 948 CB TRP A 62 8.630 13.323 -11.436 1.00 0.00 C ATOM 949 CG TRP A 62 7.289 13.349 -10.767 1.00 0.00 C ATOM 950 CD1 TRP A 62 6.674 14.418 -10.181 1.00 0.00 C ATOM 951 CD2 TRP A 62 6.405 12.242 -10.605 1.00 0.00 C ATOM 952 NE1 TRP A 62 5.452 14.039 -9.678 1.00 0.00 N ATOM 953 CE2 TRP A 62 5.269 12.705 -9.922 1.00 0.00 C ATOM 954 CE3 TRP A 62 6.467 10.903 -10.979 1.00 0.00 C ATOM 955 CZ2 TRP A 62 4.205 11.868 -9.603 1.00 0.00 C ATOM 956 CZ3 TRP A 62 5.413 10.077 -10.659 1.00 0.00 C ATOM 957 CH2 TRP A 62 4.295 10.563 -9.975 1.00 0.00 C ATOM 0 H TRP A 62 7.189 15.192 -13.195 1.00 0.00 H new ATOM 0 HA TRP A 62 9.588 13.517 -13.340 1.00 0.00 H new ATOM 0 HB2 TRP A 62 9.066 12.332 -11.314 1.00 0.00 H new ATOM 0 HB3 TRP A 62 9.291 14.027 -10.930 1.00 0.00 H new ATOM 0 HD1 TRP A 62 7.087 15.414 -10.121 1.00 0.00 H new ATOM 0 HE1 TRP A 62 4.790 14.652 -9.201 1.00 0.00 H new ATOM 0 HE3 TRP A 62 7.325 10.519 -11.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 3.338 12.241 -9.078 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 5.451 9.035 -10.941 1.00 0.00 H new ATOM 0 HH2 TRP A 62 3.486 9.888 -9.737 1.00 0.00 H new ATOM 968 N CYS A 63 8.054 11.567 -14.008 1.00 0.00 N ATOM 969 CA CYS A 63 7.199 10.638 -14.719 1.00 0.00 C ATOM 970 C CYS A 63 7.496 9.207 -14.287 1.00 0.00 C ATOM 971 O CYS A 63 8.346 8.970 -13.430 1.00 0.00 O ATOM 972 CB CYS A 63 7.398 10.794 -16.230 1.00 0.00 C ATOM 973 SG CYS A 63 8.918 10.011 -16.858 1.00 0.00 S ATOM 0 H CYS A 63 8.991 11.218 -13.807 1.00 0.00 H new ATOM 0 HA CYS A 63 6.160 10.861 -14.478 1.00 0.00 H new ATOM 0 HB2 CYS A 63 6.539 10.364 -16.746 1.00 0.00 H new ATOM 0 HB3 CYS A 63 7.419 11.856 -16.476 1.00 0.00 H new ATOM 978 N HIS A 64 6.782 8.256 -14.871 1.00 0.00 N ATOM 979 CA HIS A 64 6.962 6.851 -14.535 1.00 0.00 C ATOM 980 C HIS A 64 7.740 6.166 -15.632 1.00 0.00 C ATOM 981 O HIS A 64 7.371 6.249 -16.791 1.00 0.00 O ATOM 982 CB HIS A 64 5.604 6.169 -14.335 1.00 0.00 C ATOM 983 CG HIS A 64 4.845 6.747 -13.186 1.00 0.00 C ATOM 984 ND1 HIS A 64 3.903 7.747 -13.328 1.00 0.00 N ATOM 985 CD2 HIS A 64 4.911 6.476 -11.863 1.00 0.00 C ATOM 986 CE1 HIS A 64 3.424 8.066 -12.140 1.00 0.00 C ATOM 987 NE2 HIS A 64 4.019 7.307 -11.236 1.00 0.00 N ATOM 0 H HIS A 64 6.071 8.432 -15.581 1.00 0.00 H new ATOM 0 HA HIS A 64 7.520 6.776 -13.601 1.00 0.00 H new ATOM 0 HB2 HIS A 64 5.012 6.268 -15.245 1.00 0.00 H new ATOM 0 HB3 HIS A 64 5.756 5.103 -14.168 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.547 5.743 -11.389 1.00 0.00 H new ATOM 0 HE1 HIS A 64 2.675 8.818 -11.941 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.843 7.335 -10.232 1.00 0.00 H new ATOM 996 N THR A 65 8.821 5.510 -15.269 1.00 0.00 N ATOM 997 CA THR A 65 9.658 4.856 -16.252 1.00 0.00 C ATOM 998 C THR A 65 8.978 3.583 -16.747 1.00 0.00 C ATOM 999 O THR A 65 8.359 2.858 -15.966 1.00 0.00 O ATOM 1000 CB THR A 65 11.042 4.519 -15.660 1.00 0.00 C ATOM 1001 OG1 THR A 65 10.931 3.428 -14.744 1.00 0.00 O ATOM 1002 CG2 THR A 65 11.623 5.724 -14.928 1.00 0.00 C ATOM 0 H THR A 65 9.140 5.415 -14.305 1.00 0.00 H new ATOM 0 HA THR A 65 9.802 5.538 -17.090 1.00 0.00 H new ATOM 0 HB THR A 65 11.704 4.246 -16.482 1.00 0.00 H new ATOM 0 HG1 THR A 65 10.499 3.735 -13.920 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.599 5.465 -14.518 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.731 6.555 -15.624 1.00 0.00 H new ATOM 0 HG23 THR A 65 10.955 6.014 -14.117 1.00 0.00 H new ATOM 1010 N THR A 66 9.058 3.335 -18.048 1.00 0.00 N ATOM 1011 CA THR A 66 8.524 2.109 -18.631 1.00 0.00 C ATOM 1012 C THR A 66 9.357 0.879 -18.256 1.00 0.00 C ATOM 1013 O THR A 66 9.125 -0.221 -18.764 1.00 0.00 O ATOM 1014 CB THR A 66 8.444 2.217 -20.162 1.00 0.00 C ATOM 1015 OG1 THR A 66 9.699 2.669 -20.684 1.00 0.00 O ATOM 1016 CG2 THR A 66 7.337 3.168 -20.575 1.00 0.00 C ATOM 0 H THR A 66 9.489 3.968 -18.722 1.00 0.00 H new ATOM 0 HA THR A 66 7.522 1.983 -18.220 1.00 0.00 H new ATOM 0 HB THR A 66 8.220 1.231 -20.568 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.802 2.354 -21.606 1.00 0.00 H new ATOM 0 HG21 THR A 66 7.298 3.230 -21.663 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.383 2.801 -20.198 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.534 4.157 -20.162 1.00 0.00 H new ATOM 1024 N ASN A 67 10.317 1.070 -17.360 1.00 0.00 N ATOM 1025 CA ASN A 67 11.190 -0.011 -16.922 1.00 0.00 C ATOM 1026 C ASN A 67 10.796 -0.459 -15.524 1.00 0.00 C ATOM 1027 O ASN A 67 10.281 0.331 -14.735 1.00 0.00 O ATOM 1028 CB ASN A 67 12.660 0.434 -16.922 1.00 0.00 C ATOM 1029 CG ASN A 67 13.171 0.802 -18.304 1.00 0.00 C ATOM 1030 OD1 ASN A 67 13.689 -0.045 -19.028 1.00 0.00 O ATOM 1031 ND2 ASN A 67 13.043 2.071 -18.672 1.00 0.00 N ATOM 0 H ASN A 67 10.511 1.970 -16.920 1.00 0.00 H new ATOM 0 HA ASN A 67 11.079 -0.841 -17.619 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.774 1.292 -16.259 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.276 -0.368 -16.515 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.381 2.374 -19.586 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.607 2.743 -18.041 1.00 0.00 H new ATOM 1038 N SER A 68 11.037 -1.722 -15.221 1.00 0.00 N ATOM 1039 CA SER A 68 10.723 -2.265 -13.908 1.00 0.00 C ATOM 1040 C SER A 68 11.950 -2.210 -13.004 1.00 0.00 C ATOM 1041 O SER A 68 11.917 -2.663 -11.858 1.00 0.00 O ATOM 1042 CB SER A 68 10.219 -3.703 -14.036 1.00 0.00 C ATOM 1043 OG SER A 68 9.069 -3.768 -14.867 1.00 0.00 O ATOM 0 H SER A 68 11.450 -2.394 -15.867 1.00 0.00 H new ATOM 0 HA SER A 68 9.935 -1.659 -13.460 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.007 -4.333 -14.450 1.00 0.00 H new ATOM 0 HB3 SER A 68 9.981 -4.098 -13.048 1.00 0.00 H new ATOM 0 HG SER A 68 8.767 -4.698 -14.935 1.00 0.00 H new ATOM 1049 N GLN A 69 13.030 -1.648 -13.534 1.00 0.00 N ATOM 1050 CA GLN A 69 14.266 -1.491 -12.787 1.00 0.00 C ATOM 1051 C GLN A 69 14.120 -0.350 -11.794 1.00 0.00 C ATOM 1052 O GLN A 69 14.623 -0.402 -10.672 1.00 0.00 O ATOM 1053 CB GLN A 69 15.406 -1.181 -13.753 1.00 0.00 C ATOM 1054 CG GLN A 69 15.323 -1.953 -15.057 1.00 0.00 C ATOM 1055 CD GLN A 69 15.338 -3.452 -14.864 1.00 0.00 C ATOM 1056 OE1 GLN A 69 15.947 -3.972 -13.927 1.00 0.00 O ATOM 1057 NE2 GLN A 69 14.645 -4.154 -15.739 1.00 0.00 N ATOM 0 H GLN A 69 13.071 -1.291 -14.489 1.00 0.00 H new ATOM 0 HA GLN A 69 14.484 -2.413 -12.249 1.00 0.00 H new ATOM 0 HB2 GLN A 69 15.406 -0.113 -13.972 1.00 0.00 H new ATOM 0 HB3 GLN A 69 16.355 -1.406 -13.267 1.00 0.00 H new ATOM 0 HG2 GLN A 69 14.411 -1.670 -15.582 1.00 0.00 H new ATOM 0 HG3 GLN A 69 16.159 -1.667 -15.695 1.00 0.00 H new ATOM 0 HE21 GLN A 69 14.156 -3.682 -16.499 1.00 0.00 H new ATOM 0 HE22 GLN A 69 14.598 -5.169 -15.655 1.00 0.00 H new ATOM 1066 N VAL A 70 13.416 0.677 -12.237 1.00 0.00 N ATOM 1067 CA VAL A 70 13.192 1.874 -11.455 1.00 0.00 C ATOM 1068 C VAL A 70 11.715 2.248 -11.532 1.00 0.00 C ATOM 1069 O VAL A 70 11.019 1.827 -12.456 1.00 0.00 O ATOM 1070 CB VAL A 70 14.080 3.025 -11.984 1.00 0.00 C ATOM 1071 CG1 VAL A 70 13.806 3.284 -13.452 1.00 0.00 C ATOM 1072 CG2 VAL A 70 13.901 4.300 -11.175 1.00 0.00 C ATOM 0 H VAL A 70 12.981 0.701 -13.159 1.00 0.00 H new ATOM 0 HA VAL A 70 13.459 1.693 -10.414 1.00 0.00 H new ATOM 0 HB VAL A 70 15.117 2.710 -11.872 1.00 0.00 H new ATOM 0 HG11 VAL A 70 14.441 4.097 -13.803 1.00 0.00 H new ATOM 0 HG12 VAL A 70 14.020 2.383 -14.027 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.759 3.559 -13.584 1.00 0.00 H new ATOM 0 HG21 VAL A 70 14.543 5.082 -11.581 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.861 4.621 -11.228 1.00 0.00 H new ATOM 0 HG23 VAL A 70 14.171 4.112 -10.136 1.00 0.00 H new ATOM 1082 N ARG A 71 11.222 2.995 -10.562 1.00 0.00 N ATOM 1083 CA ARG A 71 9.832 3.405 -10.571 1.00 0.00 C ATOM 1084 C ARG A 71 9.664 4.737 -11.304 1.00 0.00 C ATOM 1085 O ARG A 71 9.578 4.768 -12.534 1.00 0.00 O ATOM 1086 CB ARG A 71 9.297 3.485 -9.139 1.00 0.00 C ATOM 1087 CG ARG A 71 7.840 3.898 -9.033 1.00 0.00 C ATOM 1088 CD ARG A 71 7.353 3.808 -7.598 1.00 0.00 C ATOM 1089 NE ARG A 71 8.278 4.445 -6.654 1.00 0.00 N ATOM 1090 CZ ARG A 71 8.088 4.470 -5.334 1.00 0.00 C ATOM 1091 NH1 ARG A 71 6.990 3.940 -4.809 1.00 0.00 N1+ ATOM 1092 NH2 ARG A 71 9.000 5.016 -4.540 1.00 0.00 N ATOM 0 H ARG A 71 11.760 3.328 -9.762 1.00 0.00 H new ATOM 0 HA ARG A 71 9.249 2.658 -11.110 1.00 0.00 H new ATOM 0 HB2 ARG A 71 9.421 2.512 -8.663 1.00 0.00 H new ATOM 0 HB3 ARG A 71 9.904 4.194 -8.577 1.00 0.00 H new ATOM 0 HG2 ARG A 71 7.720 4.918 -9.399 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.229 3.257 -9.669 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.374 4.281 -7.519 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.224 2.760 -7.326 1.00 0.00 H new ATOM 0 HE ARG A 71 9.114 4.894 -7.028 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.290 3.513 -5.415 1.00 0.00 H new ATOM 0 HH12 ARG A 71 6.847 3.960 -3.799 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.849 5.418 -4.939 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.853 5.034 -3.531 1.00 0.00 H new ATOM 1106 N TRP A 72 9.591 5.826 -10.555 1.00 0.00 N ATOM 1107 CA TRP A 72 9.457 7.149 -11.144 1.00 0.00 C ATOM 1108 C TRP A 72 10.820 7.824 -11.276 1.00 0.00 C ATOM 1109 O TRP A 72 11.793 7.380 -10.671 1.00 0.00 O ATOM 1110 CB TRP A 72 8.490 8.005 -10.319 1.00 0.00 C ATOM 1111 CG TRP A 72 8.987 8.349 -8.950 1.00 0.00 C ATOM 1112 CD1 TRP A 72 9.038 7.529 -7.862 1.00 0.00 C ATOM 1113 CD2 TRP A 72 9.491 9.616 -8.522 1.00 0.00 C ATOM 1114 NE1 TRP A 72 9.545 8.208 -6.785 1.00 0.00 N ATOM 1115 CE2 TRP A 72 9.831 9.492 -7.163 1.00 0.00 C ATOM 1116 CE3 TRP A 72 9.690 10.843 -9.158 1.00 0.00 C ATOM 1117 CZ2 TRP A 72 10.358 10.549 -6.429 1.00 0.00 C ATOM 1118 CZ3 TRP A 72 10.212 11.893 -8.428 1.00 0.00 C ATOM 1119 CH2 TRP A 72 10.541 11.740 -7.076 1.00 0.00 C ATOM 0 H TRP A 72 9.622 5.819 -9.536 1.00 0.00 H new ATOM 0 HA TRP A 72 9.043 7.042 -12.147 1.00 0.00 H new ATOM 0 HB2 TRP A 72 8.287 8.928 -10.862 1.00 0.00 H new ATOM 0 HB3 TRP A 72 7.542 7.475 -10.226 1.00 0.00 H new ATOM 0 HD1 TRP A 72 8.725 6.496 -7.851 1.00 0.00 H new ATOM 0 HE1 TRP A 72 9.686 7.819 -5.853 1.00 0.00 H new ATOM 0 HE3 TRP A 72 9.440 10.969 -10.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 10.613 10.434 -5.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 10.369 12.848 -8.908 1.00 0.00 H new ATOM 0 HH2 TRP A 72 10.948 12.580 -6.532 1.00 0.00 H new ATOM 1130 N GLU A 73 10.880 8.892 -12.057 1.00 0.00 N ATOM 1131 CA GLU A 73 12.096 9.682 -12.194 1.00 0.00 C ATOM 1132 C GLU A 73 11.752 11.123 -12.518 1.00 0.00 C ATOM 1133 O GLU A 73 10.687 11.403 -13.067 1.00 0.00 O ATOM 1134 CB GLU A 73 13.003 9.132 -13.291 1.00 0.00 C ATOM 1135 CG GLU A 73 13.954 8.052 -12.818 1.00 0.00 C ATOM 1136 CD GLU A 73 15.232 8.025 -13.624 1.00 0.00 C ATOM 1137 OE1 GLU A 73 15.175 7.724 -14.829 1.00 0.00 O1- ATOM 1138 OE2 GLU A 73 16.303 8.311 -13.051 1.00 0.00 O1- ATOM 0 H GLU A 73 10.094 9.234 -12.610 1.00 0.00 H new ATOM 0 HA GLU A 73 12.626 9.628 -11.243 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.384 8.731 -14.093 1.00 0.00 H new ATOM 0 HB3 GLU A 73 13.582 9.952 -13.715 1.00 0.00 H new ATOM 0 HG2 GLU A 73 14.193 8.215 -11.767 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.462 7.082 -12.887 1.00 0.00 H new ATOM 1145 N TYR A 74 12.658 12.026 -12.168 1.00 0.00 N ATOM 1146 CA TYR A 74 12.504 13.436 -12.496 1.00 0.00 C ATOM 1147 C TYR A 74 12.837 13.688 -13.958 1.00 0.00 C ATOM 1148 O TYR A 74 13.390 12.825 -14.640 1.00 0.00 O ATOM 1149 CB TYR A 74 13.432 14.301 -11.641 1.00 0.00 C ATOM 1150 CG TYR A 74 13.029 14.428 -10.192 1.00 0.00 C ATOM 1151 CD1 TYR A 74 11.873 15.103 -9.824 1.00 0.00 C ATOM 1152 CD2 TYR A 74 13.823 13.891 -9.192 1.00 0.00 C ATOM 1153 CE1 TYR A 74 11.521 15.235 -8.492 1.00 0.00 C ATOM 1154 CE2 TYR A 74 13.475 14.015 -7.865 1.00 0.00 C ATOM 1155 CZ TYR A 74 12.327 14.688 -7.520 1.00 0.00 C ATOM 1156 OH TYR A 74 11.985 14.817 -6.193 1.00 0.00 O ATOM 0 H TYR A 74 13.511 11.805 -11.654 1.00 0.00 H new ATOM 0 HA TYR A 74 11.465 13.701 -12.298 1.00 0.00 H new ATOM 0 HB2 TYR A 74 14.438 13.884 -11.688 1.00 0.00 H new ATOM 0 HB3 TYR A 74 13.480 15.298 -12.078 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.240 15.531 -10.587 1.00 0.00 H new ATOM 0 HD2 TYR A 74 14.729 13.367 -9.457 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.620 15.764 -8.217 1.00 0.00 H new ATOM 0 HE2 TYR A 74 14.102 13.585 -7.098 1.00 0.00 H new ATOM 0 HH TYR A 74 12.659 14.373 -5.637 1.00 0.00 H new ATOM 1166 N CYS A 75 12.514 14.880 -14.425 1.00 0.00 N ATOM 1167 CA CYS A 75 12.894 15.306 -15.760 1.00 0.00 C ATOM 1168 C CYS A 75 13.581 16.661 -15.689 1.00 0.00 C ATOM 1169 O CYS A 75 13.121 17.564 -14.988 1.00 0.00 O ATOM 1170 CB CYS A 75 11.680 15.408 -16.671 1.00 0.00 C ATOM 1171 SG CYS A 75 10.628 13.926 -16.708 1.00 0.00 S ATOM 0 H CYS A 75 11.986 15.574 -13.896 1.00 0.00 H new ATOM 0 HA CYS A 75 13.575 14.561 -16.172 1.00 0.00 H new ATOM 0 HB2 CYS A 75 11.075 16.258 -16.354 1.00 0.00 H new ATOM 0 HB3 CYS A 75 12.021 15.620 -17.684 1.00 0.00 H new ATOM 1176 N LYS A 76 14.670 16.807 -16.417 1.00 0.00 N ATOM 1177 CA LYS A 76 15.436 18.040 -16.379 1.00 0.00 C ATOM 1178 C LYS A 76 14.914 19.033 -17.414 1.00 0.00 C ATOM 1179 O LYS A 76 15.372 19.062 -18.559 1.00 0.00 O ATOM 1180 CB LYS A 76 16.924 17.753 -16.602 1.00 0.00 C ATOM 1181 CG LYS A 76 17.809 18.987 -16.524 1.00 0.00 C ATOM 1182 CD LYS A 76 19.278 18.622 -16.632 1.00 0.00 C ATOM 1183 CE LYS A 76 20.149 19.862 -16.743 1.00 0.00 C ATOM 1184 NZ LYS A 76 19.966 20.560 -18.045 1.00 0.00 N1+ ATOM 0 H LYS A 76 15.045 16.091 -17.040 1.00 0.00 H new ATOM 0 HA LYS A 76 15.318 18.488 -15.392 1.00 0.00 H new ATOM 0 HB2 LYS A 76 17.260 17.030 -15.859 1.00 0.00 H new ATOM 0 HB3 LYS A 76 17.052 17.288 -17.579 1.00 0.00 H new ATOM 0 HG2 LYS A 76 17.544 19.678 -17.325 1.00 0.00 H new ATOM 0 HG3 LYS A 76 17.630 19.506 -15.583 1.00 0.00 H new ATOM 0 HD2 LYS A 76 19.576 18.043 -15.758 1.00 0.00 H new ATOM 0 HD3 LYS A 76 19.434 17.987 -17.504 1.00 0.00 H new ATOM 0 HE2 LYS A 76 19.910 20.546 -15.929 1.00 0.00 H new ATOM 0 HE3 LYS A 76 21.196 19.581 -16.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 20.733 21.249 -18.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 19.985 19.864 -18.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 19.052 21.055 -18.048 1.00 0.00 H new ATOM 1198 N ILE A 77 13.933 19.828 -17.012 1.00 0.00 N ATOM 1199 CA ILE A 77 13.426 20.893 -17.862 1.00 0.00 C ATOM 1200 C ILE A 77 14.279 22.142 -17.624 1.00 0.00 C ATOM 1201 O ILE A 77 14.808 22.309 -16.522 1.00 0.00 O ATOM 1202 CB ILE A 77 11.932 21.197 -17.550 1.00 0.00 C ATOM 1203 CG1 ILE A 77 11.106 19.906 -17.477 1.00 0.00 C ATOM 1204 CG2 ILE A 77 11.328 22.141 -18.580 1.00 0.00 C ATOM 1205 CD1 ILE A 77 11.272 18.976 -18.660 1.00 0.00 C ATOM 0 H ILE A 77 13.474 19.755 -16.104 1.00 0.00 H new ATOM 0 HA ILE A 77 13.486 20.584 -18.906 1.00 0.00 H new ATOM 0 HB ILE A 77 11.903 21.686 -16.576 1.00 0.00 H new ATOM 0 HG12 ILE A 77 11.379 19.368 -16.569 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.052 20.170 -17.386 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.284 22.331 -18.331 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.879 23.082 -18.579 1.00 0.00 H new ATOM 0 HG23 ILE A 77 11.388 21.687 -19.569 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.650 18.092 -18.518 1.00 0.00 H new ATOM 0 HD12 ILE A 77 10.969 19.490 -19.572 1.00 0.00 H new ATOM 0 HD13 ILE A 77 12.316 18.675 -18.743 1.00 0.00 H new ATOM 1217 N PRO A 78 14.472 23.012 -18.638 1.00 0.00 N ATOM 1218 CA PRO A 78 15.194 24.281 -18.460 1.00 0.00 C ATOM 1219 C PRO A 78 14.498 25.187 -17.447 1.00 0.00 C ATOM 1220 O PRO A 78 13.628 24.755 -16.708 1.00 0.00 O ATOM 1221 CB PRO A 78 15.159 24.915 -19.855 1.00 0.00 C ATOM 1222 CG PRO A 78 14.937 23.770 -20.776 1.00 0.00 C ATOM 1223 CD PRO A 78 14.032 22.840 -20.030 1.00 0.00 C ATOM 0 HA PRO A 78 16.203 24.131 -18.077 1.00 0.00 H new ATOM 0 HB2 PRO A 78 14.360 25.651 -19.937 1.00 0.00 H new ATOM 0 HB3 PRO A 78 16.092 25.431 -20.080 1.00 0.00 H new ATOM 0 HG2 PRO A 78 14.482 24.098 -21.710 1.00 0.00 H new ATOM 0 HG3 PRO A 78 15.878 23.283 -21.033 1.00 0.00 H new ATOM 0 HD2 PRO A 78 12.983 23.105 -20.159 1.00 0.00 H new ATOM 0 HD3 PRO A 78 14.144 21.809 -20.366 1.00 0.00 H new