USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=23 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 23 GLN : amide:sc= -0.89! C(o=-6.9!,f=-10!) USER MOD Set 1.2: A 33 HIS : no HD1:sc= -6.06! C(o=-6.9!,f=-7.2!) USER MOD Set 2.1: A 16 THR OG1 : rot -66:sc= -0.533 USER MOD Set 2.2: A 20 HIS : no HE2:sc= -3.75! C(o=-4.3!,f=-7.2!) USER MOD Set 3.1: A 3 LYS NZ :NH3+ -154:sc= 0.381 (180deg=0) USER MOD Set 3.2: A 8 ASN : amide:sc= -0.0409 K(o=0.34,f=-3.8!) USER MOD Single : A 1 CYS N :NH3+ -139:sc= 0.623 (180deg=0.121) USER MOD Single : A 1 CYS SG : rot 180:sc= 0.224 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00317 USER MOD Single : A 9 TYR OH : rot -35:sc= 0.0132 USER MOD Single : A 12 ASN : amide:sc= -2.79! C(o=-2.8!,f=-7.1!) USER MOD Single : A 18 SER OG : rot 86:sc= 1.3 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.0329 X(o=-0.033,f=-0.084) USER MOD Single : A 26 SER OG : rot 180:sc= 0.00823 USER MOD Single : A 28 GLN : amide:sc= 0.401 K(o=0.4,f=-0.63) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= -1.62 X(o=-1.6,f=-1.9) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.466 X(o=-0.47,f=-0.81) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.0299 K(o=0.03,f=-0.75) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0763 USER MOD Single : A 44 LYS NZ :NH3+ -163:sc= 1.97 (180deg=1.71) USER MOD Single : A 45 ASN : amide:sc= -1.06 X(o=-1.1,f=-0.59) USER MOD Single : A 49 ASN : amide:sc= 0.31 K(o=0.31,f=-6.3!) USER MOD Single : A 50 TYR OH : rot 102:sc= 0.583 USER MOD Single : A 53 ASN : amide:sc= 0.781 K(o=0.78,f=-9.7!) USER MOD Single : A 57 LYS NZ :NH3+ -118:sc= 0.353 (180deg=-0.0752) USER MOD Single : A 64 HIS : no HD1:sc= -1.67 X(o=-1.7,f=-2.1) USER MOD Single : A 65 THR OG1 : rot -95:sc= 0.775 USER MOD Single : A 66 THR OG1 : rot 148:sc= -1.4 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.0131 USER MOD Single : A 76 LYS NZ :NH3+ 169:sc= -0.0475 (180deg=-0.252) USER MOD ----------------------------------------------------------------- ATOM 55 N CYS A 1 10.639 26.578 -21.276 1.00 0.00 N ATOM 56 CA CYS A 1 11.457 26.402 -20.093 1.00 0.00 C ATOM 57 C CYS A 1 10.603 26.016 -18.894 1.00 0.00 C ATOM 58 O CYS A 1 9.382 26.158 -18.921 1.00 0.00 O ATOM 59 CB CYS A 1 12.235 27.689 -19.821 1.00 0.00 C ATOM 60 SG CYS A 1 11.254 29.226 -19.949 1.00 0.00 S ATOM 0 H1 CYS A 1 11.124 26.165 -22.098 1.00 0.00 H new ATOM 0 H2 CYS A 1 9.724 26.103 -21.139 1.00 0.00 H new ATOM 0 H3 CYS A 1 10.481 27.593 -21.441 1.00 0.00 H new ATOM 0 HA CYS A 1 12.163 25.589 -20.264 1.00 0.00 H new ATOM 0 HB2 CYS A 1 12.664 27.632 -18.821 1.00 0.00 H new ATOM 0 HB3 CYS A 1 13.068 27.748 -20.522 1.00 0.00 H new ATOM 0 HG CYS A 1 12.015 30.249 -19.697 1.00 0.00 H new ATOM 65 N LEU A 2 11.244 25.496 -17.856 1.00 0.00 N ATOM 66 CA LEU A 2 10.526 25.032 -16.677 1.00 0.00 C ATOM 67 C LEU A 2 10.041 26.183 -15.791 1.00 0.00 C ATOM 68 O LEU A 2 10.539 27.307 -15.867 1.00 0.00 O ATOM 69 CB LEU A 2 11.418 24.097 -15.869 1.00 0.00 C ATOM 70 CG LEU A 2 10.753 23.412 -14.687 1.00 0.00 C ATOM 71 CD1 LEU A 2 9.540 22.636 -15.159 1.00 0.00 C ATOM 72 CD2 LEU A 2 11.741 22.499 -13.983 1.00 0.00 C ATOM 0 H LEU A 2 12.257 25.385 -17.806 1.00 0.00 H new ATOM 0 HA LEU A 2 9.640 24.501 -17.025 1.00 0.00 H new ATOM 0 HB2 LEU A 2 11.809 23.330 -16.537 1.00 0.00 H new ATOM 0 HB3 LEU A 2 12.272 24.666 -15.502 1.00 0.00 H new ATOM 0 HG LEU A 2 10.425 24.168 -13.973 1.00 0.00 H new ATOM 0 HD11 LEU A 2 9.067 22.147 -14.307 1.00 0.00 H new ATOM 0 HD12 LEU A 2 8.830 23.319 -15.625 1.00 0.00 H new ATOM 0 HD13 LEU A 2 9.849 21.883 -15.884 1.00 0.00 H new ATOM 0 HD21 LEU A 2 11.251 22.015 -13.138 1.00 0.00 H new ATOM 0 HD22 LEU A 2 12.096 21.740 -14.680 1.00 0.00 H new ATOM 0 HD23 LEU A 2 12.587 23.086 -13.624 1.00 0.00 H new ATOM 84 N LYS A 3 9.071 25.859 -14.943 1.00 0.00 N ATOM 85 CA LYS A 3 8.479 26.801 -14.003 1.00 0.00 C ATOM 86 C LYS A 3 8.669 26.302 -12.570 1.00 0.00 C ATOM 87 O LYS A 3 7.700 26.128 -11.825 1.00 0.00 O ATOM 88 CB LYS A 3 6.980 26.959 -14.296 1.00 0.00 C ATOM 89 CG LYS A 3 6.252 25.622 -14.400 1.00 0.00 C ATOM 90 CD LYS A 3 4.736 25.775 -14.389 1.00 0.00 C ATOM 91 CE LYS A 3 4.267 26.814 -15.388 1.00 0.00 C ATOM 92 NZ LYS A 3 2.796 27.007 -15.343 1.00 0.00 N1+ ATOM 0 H LYS A 3 8.669 24.923 -14.889 1.00 0.00 H new ATOM 0 HA LYS A 3 8.973 27.766 -14.115 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.522 27.556 -13.508 1.00 0.00 H new ATOM 0 HB3 LYS A 3 6.853 27.510 -15.228 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.555 25.118 -15.318 1.00 0.00 H new ATOM 0 HG3 LYS A 3 6.555 24.983 -13.571 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.272 24.815 -14.618 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.407 26.058 -13.389 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.763 27.763 -15.184 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.562 26.510 -16.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.462 27.350 -16.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.334 26.102 -15.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.560 27.704 -14.609 1.00 0.00 H new ATOM 106 N GLY A 4 9.912 26.055 -12.188 1.00 0.00 N ATOM 107 CA GLY A 4 10.191 25.549 -10.857 1.00 0.00 C ATOM 108 C GLY A 4 9.779 24.098 -10.698 1.00 0.00 C ATOM 109 O GLY A 4 10.546 23.193 -11.023 1.00 0.00 O ATOM 0 H GLY A 4 10.735 26.195 -12.775 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.256 25.647 -10.649 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.665 26.157 -10.121 1.00 0.00 H new ATOM 113 N THR A 5 8.560 23.875 -10.216 1.00 0.00 N ATOM 114 CA THR A 5 8.046 22.525 -10.021 1.00 0.00 C ATOM 115 C THR A 5 7.507 21.945 -11.326 1.00 0.00 C ATOM 116 O THR A 5 7.437 20.733 -11.502 1.00 0.00 O ATOM 117 CB THR A 5 6.940 22.501 -8.950 1.00 0.00 C ATOM 118 OG1 THR A 5 6.022 23.580 -9.178 1.00 0.00 O ATOM 119 CG2 THR A 5 7.527 22.607 -7.550 1.00 0.00 C ATOM 0 H THR A 5 7.909 24.615 -9.953 1.00 0.00 H new ATOM 0 HA THR A 5 8.879 21.910 -9.681 1.00 0.00 H new ATOM 0 HB THR A 5 6.413 21.550 -9.024 1.00 0.00 H new ATOM 0 HG1 THR A 5 5.319 23.561 -8.496 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.722 22.587 -6.815 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.200 21.768 -7.373 1.00 0.00 H new ATOM 0 HG23 THR A 5 8.080 23.542 -7.457 1.00 0.00 H new ATOM 127 N GLY A 6 7.116 22.847 -12.228 1.00 0.00 N ATOM 128 CA GLY A 6 6.721 22.469 -13.575 1.00 0.00 C ATOM 129 C GLY A 6 5.532 21.547 -13.638 1.00 0.00 C ATOM 130 O GLY A 6 5.440 20.718 -14.537 1.00 0.00 O ATOM 0 H GLY A 6 7.066 23.849 -12.043 1.00 0.00 H new ATOM 0 HA2 GLY A 6 6.495 23.372 -14.142 1.00 0.00 H new ATOM 0 HA3 GLY A 6 7.566 21.987 -14.067 1.00 0.00 H new ATOM 134 N GLU A 7 4.603 21.740 -12.719 1.00 0.00 N ATOM 135 CA GLU A 7 3.442 20.874 -12.592 1.00 0.00 C ATOM 136 C GLU A 7 2.639 20.832 -13.884 1.00 0.00 C ATOM 137 O GLU A 7 2.220 19.765 -14.327 1.00 0.00 O ATOM 138 CB GLU A 7 2.590 21.353 -11.421 1.00 0.00 C ATOM 139 CG GLU A 7 3.420 21.578 -10.167 1.00 0.00 C ATOM 140 CD GLU A 7 2.586 21.873 -8.942 1.00 0.00 C ATOM 141 OE1 GLU A 7 1.723 21.046 -8.586 1.00 0.00 O ATOM 142 OE2 GLU A 7 2.805 22.928 -8.315 1.00 0.00 O1- ATOM 0 H GLU A 7 4.631 22.500 -12.040 1.00 0.00 H new ATOM 0 HA GLU A 7 3.775 19.854 -12.397 1.00 0.00 H new ATOM 0 HB2 GLU A 7 2.087 22.281 -11.694 1.00 0.00 H new ATOM 0 HB3 GLU A 7 1.812 20.618 -11.214 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.028 20.693 -9.979 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.107 22.407 -10.338 1.00 0.00 H new ATOM 149 N ASN A 8 2.454 21.993 -14.491 1.00 0.00 N ATOM 150 CA ASN A 8 1.755 22.085 -15.763 1.00 0.00 C ATOM 151 C ASN A 8 2.428 23.120 -16.665 1.00 0.00 C ATOM 152 O ASN A 8 1.758 23.849 -17.388 1.00 0.00 O ATOM 153 CB ASN A 8 0.278 22.439 -15.535 1.00 0.00 C ATOM 154 CG ASN A 8 0.082 23.732 -14.753 1.00 0.00 C ATOM 155 OD1 ASN A 8 0.938 24.624 -14.759 1.00 0.00 O ATOM 156 ND2 ASN A 8 -1.053 23.850 -14.084 1.00 0.00 N ATOM 0 H ASN A 8 2.779 22.887 -14.123 1.00 0.00 H new ATOM 0 HA ASN A 8 1.802 21.116 -16.260 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -0.220 22.527 -16.500 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.206 21.622 -15.000 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.245 24.698 -13.550 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.737 23.093 -14.102 1.00 0.00 H new ATOM 163 N TYR A 9 3.766 23.167 -16.600 1.00 0.00 N ATOM 164 CA TYR A 9 4.575 24.122 -17.372 1.00 0.00 C ATOM 165 C TYR A 9 4.074 24.306 -18.815 1.00 0.00 C ATOM 166 O TYR A 9 3.401 25.285 -19.116 1.00 0.00 O ATOM 167 CB TYR A 9 6.077 23.732 -17.343 1.00 0.00 C ATOM 168 CG TYR A 9 6.432 22.380 -17.951 1.00 0.00 C ATOM 169 CD1 TYR A 9 5.655 21.249 -17.727 1.00 0.00 C ATOM 170 CD2 TYR A 9 7.553 22.247 -18.763 1.00 0.00 C ATOM 171 CE1 TYR A 9 5.983 20.033 -18.292 1.00 0.00 C ATOM 172 CE2 TYR A 9 7.885 21.035 -19.332 1.00 0.00 C ATOM 173 CZ TYR A 9 7.099 19.931 -19.094 1.00 0.00 C ATOM 174 OH TYR A 9 7.421 18.727 -19.676 1.00 0.00 O ATOM 0 H TYR A 9 4.318 22.544 -16.011 1.00 0.00 H new ATOM 0 HA TYR A 9 4.461 25.090 -16.884 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.641 24.503 -17.868 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.413 23.741 -16.306 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.779 21.323 -17.100 1.00 0.00 H new ATOM 0 HD2 TYR A 9 8.176 23.109 -18.952 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.368 19.165 -18.106 1.00 0.00 H new ATOM 0 HE2 TYR A 9 8.758 20.953 -19.962 1.00 0.00 H new ATOM 0 HH TYR A 9 7.188 17.996 -19.066 1.00 0.00 H new ATOM 184 N ARG A 10 4.431 23.397 -19.702 1.00 0.00 N ATOM 185 CA ARG A 10 3.967 23.438 -21.074 1.00 0.00 C ATOM 186 C ARG A 10 3.477 22.061 -21.483 1.00 0.00 C ATOM 187 O ARG A 10 2.293 21.860 -21.746 1.00 0.00 O ATOM 188 CB ARG A 10 5.093 23.898 -22.012 1.00 0.00 C ATOM 189 CG ARG A 10 5.558 25.315 -21.758 1.00 0.00 C ATOM 190 CD ARG A 10 6.580 25.357 -20.645 1.00 0.00 C ATOM 191 NE ARG A 10 7.078 26.709 -20.387 1.00 0.00 N ATOM 192 CZ ARG A 10 6.480 27.602 -19.587 1.00 0.00 C ATOM 193 NH1 ARG A 10 5.262 27.378 -19.107 1.00 0.00 N1+ ATOM 194 NH2 ARG A 10 7.088 28.744 -19.302 1.00 0.00 N ATOM 0 H ARG A 10 5.048 22.613 -19.492 1.00 0.00 H new ATOM 0 HA ARG A 10 3.147 24.152 -21.149 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.942 23.222 -21.905 1.00 0.00 H new ATOM 0 HB3 ARG A 10 4.750 23.817 -23.043 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.990 25.729 -22.669 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.704 25.941 -21.497 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.135 24.958 -19.733 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.418 24.708 -20.902 1.00 0.00 H new ATOM 0 HE ARG A 10 7.942 26.992 -20.849 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.770 26.517 -19.346 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.819 28.067 -18.499 1.00 0.00 H new ATOM 0 HH21 ARG A 10 8.010 28.942 -19.691 1.00 0.00 H new ATOM 0 HH22 ARG A 10 6.634 29.425 -18.693 1.00 0.00 H new ATOM 208 N GLY A 11 4.392 21.105 -21.475 1.00 0.00 N ATOM 209 CA GLY A 11 4.070 19.763 -21.908 1.00 0.00 C ATOM 210 C GLY A 11 4.834 19.410 -23.158 1.00 0.00 C ATOM 211 O GLY A 11 4.267 19.335 -24.245 1.00 0.00 O ATOM 0 H GLY A 11 5.358 21.236 -21.174 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.309 19.053 -21.117 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.999 19.683 -22.095 1.00 0.00 H new ATOM 215 N ASN A 12 6.134 19.224 -23.009 1.00 0.00 N ATOM 216 CA ASN A 12 6.997 18.985 -24.156 1.00 0.00 C ATOM 217 C ASN A 12 7.839 17.726 -23.971 1.00 0.00 C ATOM 218 O ASN A 12 7.696 16.765 -24.728 1.00 0.00 O ATOM 219 CB ASN A 12 7.884 20.211 -24.435 1.00 0.00 C ATOM 220 CG ASN A 12 8.434 20.875 -23.179 1.00 0.00 C ATOM 221 OD1 ASN A 12 9.469 20.476 -22.655 1.00 0.00 O ATOM 222 ND2 ASN A 12 7.764 21.921 -22.702 1.00 0.00 N ATOM 0 H ASN A 12 6.615 19.233 -22.110 1.00 0.00 H new ATOM 0 HA ASN A 12 6.359 18.823 -25.025 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.718 19.907 -25.068 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.307 20.944 -24.998 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.108 22.415 -21.879 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.906 22.229 -23.160 1.00 0.00 H new ATOM 229 N VAL A 13 8.719 17.735 -22.979 1.00 0.00 N ATOM 230 CA VAL A 13 9.550 16.580 -22.679 1.00 0.00 C ATOM 231 C VAL A 13 8.707 15.394 -22.200 1.00 0.00 C ATOM 232 O VAL A 13 7.864 15.535 -21.313 1.00 0.00 O ATOM 233 CB VAL A 13 10.602 16.938 -21.614 1.00 0.00 C ATOM 234 CG1 VAL A 13 11.407 15.715 -21.209 1.00 0.00 C ATOM 235 CG2 VAL A 13 11.514 18.040 -22.131 1.00 0.00 C ATOM 0 H VAL A 13 8.875 18.535 -22.366 1.00 0.00 H new ATOM 0 HA VAL A 13 10.055 16.289 -23.600 1.00 0.00 H new ATOM 0 HB VAL A 13 10.084 17.301 -20.726 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.143 15.997 -20.456 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.738 14.959 -20.798 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.919 15.311 -22.082 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.255 18.286 -21.370 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.021 17.699 -23.034 1.00 0.00 H new ATOM 0 HG23 VAL A 13 10.921 18.926 -22.360 1.00 0.00 H new ATOM 245 N ALA A 14 8.937 14.234 -22.808 1.00 0.00 N ATOM 246 CA ALA A 14 8.224 13.010 -22.452 1.00 0.00 C ATOM 247 C ALA A 14 9.220 11.905 -22.085 1.00 0.00 C ATOM 248 O ALA A 14 8.949 10.708 -22.241 1.00 0.00 O ATOM 249 CB ALA A 14 7.337 12.571 -23.607 1.00 0.00 C ATOM 0 H ALA A 14 9.619 14.115 -23.557 1.00 0.00 H new ATOM 0 HA ALA A 14 7.593 13.205 -21.585 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.809 11.658 -23.333 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.614 13.356 -23.829 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.952 12.385 -24.488 1.00 0.00 H new ATOM 255 N VAL A 15 10.383 12.327 -21.609 1.00 0.00 N ATOM 256 CA VAL A 15 11.458 11.414 -21.238 1.00 0.00 C ATOM 257 C VAL A 15 12.112 11.913 -19.956 1.00 0.00 C ATOM 258 O VAL A 15 12.273 13.118 -19.765 1.00 0.00 O ATOM 259 CB VAL A 15 12.522 11.310 -22.360 1.00 0.00 C ATOM 260 CG1 VAL A 15 13.659 10.382 -21.955 1.00 0.00 C ATOM 261 CG2 VAL A 15 11.890 10.829 -23.659 1.00 0.00 C ATOM 0 H VAL A 15 10.609 13.312 -21.469 1.00 0.00 H new ATOM 0 HA VAL A 15 11.034 10.422 -21.085 1.00 0.00 H new ATOM 0 HB VAL A 15 12.934 12.307 -22.519 1.00 0.00 H new ATOM 0 HG11 VAL A 15 14.390 10.329 -22.762 1.00 0.00 H new ATOM 0 HG12 VAL A 15 14.139 10.766 -21.055 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.263 9.386 -21.758 1.00 0.00 H new ATOM 0 HG21 VAL A 15 12.655 10.763 -24.433 1.00 0.00 H new ATOM 0 HG22 VAL A 15 11.444 9.846 -23.505 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.118 11.533 -23.970 1.00 0.00 H new ATOM 271 N THR A 16 12.477 10.984 -19.083 1.00 0.00 N ATOM 272 CA THR A 16 13.048 11.325 -17.785 1.00 0.00 C ATOM 273 C THR A 16 14.392 12.040 -17.937 1.00 0.00 C ATOM 274 O THR A 16 14.916 12.154 -19.044 1.00 0.00 O ATOM 275 CB THR A 16 13.245 10.058 -16.927 1.00 0.00 C ATOM 276 OG1 THR A 16 14.252 9.222 -17.516 1.00 0.00 O ATOM 277 CG2 THR A 16 11.943 9.278 -16.814 1.00 0.00 C ATOM 0 H THR A 16 12.387 9.982 -19.251 1.00 0.00 H new ATOM 0 HA THR A 16 12.346 11.996 -17.290 1.00 0.00 H new ATOM 0 HB THR A 16 13.560 10.364 -15.929 1.00 0.00 H new ATOM 0 HG1 THR A 16 13.934 8.886 -18.380 1.00 0.00 H new ATOM 0 HG21 THR A 16 12.104 8.388 -16.205 1.00 0.00 H new ATOM 0 HG22 THR A 16 11.183 9.905 -16.348 1.00 0.00 H new ATOM 0 HG23 THR A 16 11.609 8.982 -17.808 1.00 0.00 H new ATOM 285 N VAL A 17 14.953 12.517 -16.833 1.00 0.00 N ATOM 286 CA VAL A 17 16.274 13.129 -16.859 1.00 0.00 C ATOM 287 C VAL A 17 17.316 12.105 -17.316 1.00 0.00 C ATOM 288 O VAL A 17 18.269 12.435 -18.029 1.00 0.00 O ATOM 289 CB VAL A 17 16.656 13.716 -15.476 1.00 0.00 C ATOM 290 CG1 VAL A 17 16.654 12.643 -14.395 1.00 0.00 C ATOM 291 CG2 VAL A 17 18.008 14.413 -15.534 1.00 0.00 C ATOM 0 H VAL A 17 14.515 12.492 -15.912 1.00 0.00 H new ATOM 0 HA VAL A 17 16.251 13.955 -17.570 1.00 0.00 H new ATOM 0 HB VAL A 17 15.899 14.455 -15.215 1.00 0.00 H new ATOM 0 HG11 VAL A 17 16.926 13.090 -13.439 1.00 0.00 H new ATOM 0 HG12 VAL A 17 15.659 12.204 -14.320 1.00 0.00 H new ATOM 0 HG13 VAL A 17 17.375 11.867 -14.651 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.252 14.816 -14.551 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.774 13.697 -15.833 1.00 0.00 H new ATOM 0 HG23 VAL A 17 17.968 15.226 -16.259 1.00 0.00 H new ATOM 301 N SER A 18 17.098 10.855 -16.929 1.00 0.00 N ATOM 302 CA SER A 18 17.935 9.755 -17.370 1.00 0.00 C ATOM 303 C SER A 18 17.365 9.170 -18.665 1.00 0.00 C ATOM 304 O SER A 18 16.452 9.743 -19.255 1.00 0.00 O ATOM 305 CB SER A 18 17.993 8.690 -16.277 1.00 0.00 C ATOM 306 OG SER A 18 18.270 9.274 -15.012 1.00 0.00 O ATOM 0 H SER A 18 16.340 10.580 -16.304 1.00 0.00 H new ATOM 0 HA SER A 18 18.947 10.112 -17.563 1.00 0.00 H new ATOM 0 HB2 SER A 18 17.044 8.155 -16.235 1.00 0.00 H new ATOM 0 HB3 SER A 18 18.762 7.957 -16.519 1.00 0.00 H new ATOM 0 HG SER A 18 17.433 9.571 -14.599 1.00 0.00 H new ATOM 312 N GLY A 19 17.874 8.023 -19.095 1.00 0.00 N ATOM 313 CA GLY A 19 17.432 7.452 -20.356 1.00 0.00 C ATOM 314 C GLY A 19 16.190 6.588 -20.214 1.00 0.00 C ATOM 315 O GLY A 19 16.032 5.597 -20.924 1.00 0.00 O ATOM 0 H GLY A 19 18.580 7.480 -18.599 1.00 0.00 H new ATOM 0 HA2 GLY A 19 17.229 8.257 -21.062 1.00 0.00 H new ATOM 0 HA3 GLY A 19 18.238 6.853 -20.780 1.00 0.00 H new ATOM 319 N HIS A 20 15.318 6.942 -19.276 1.00 0.00 N ATOM 320 CA HIS A 20 14.076 6.201 -19.071 1.00 0.00 C ATOM 321 C HIS A 20 12.943 6.818 -19.886 1.00 0.00 C ATOM 322 O HIS A 20 12.712 8.026 -19.823 1.00 0.00 O ATOM 323 CB HIS A 20 13.669 6.185 -17.592 1.00 0.00 C ATOM 324 CG HIS A 20 14.745 5.747 -16.648 1.00 0.00 C ATOM 325 ND1 HIS A 20 15.439 6.629 -15.850 1.00 0.00 N ATOM 326 CD2 HIS A 20 15.224 4.516 -16.349 1.00 0.00 C ATOM 327 CE1 HIS A 20 16.302 5.963 -15.106 1.00 0.00 C ATOM 328 NE2 HIS A 20 16.191 4.678 -15.387 1.00 0.00 N ATOM 0 H HIS A 20 15.446 7.735 -18.647 1.00 0.00 H new ATOM 0 HA HIS A 20 14.255 5.177 -19.400 1.00 0.00 H new ATOM 0 HB2 HIS A 20 13.343 7.186 -17.309 1.00 0.00 H new ATOM 0 HB3 HIS A 20 12.810 5.524 -17.473 1.00 0.00 H new ATOM 0 HD1 HIS A 20 15.307 7.640 -15.836 1.00 0.00 H new ATOM 0 HD2 HIS A 20 14.905 3.581 -16.786 1.00 0.00 H new ATOM 0 HE1 HIS A 20 16.984 6.396 -14.389 1.00 0.00 H new ATOM 337 N THR A 21 12.240 5.990 -20.641 1.00 0.00 N ATOM 338 CA THR A 21 11.053 6.428 -21.362 1.00 0.00 C ATOM 339 C THR A 21 9.900 6.679 -20.394 1.00 0.00 C ATOM 340 O THR A 21 9.579 5.815 -19.569 1.00 0.00 O ATOM 341 CB THR A 21 10.634 5.373 -22.408 1.00 0.00 C ATOM 342 OG1 THR A 21 11.547 5.387 -23.513 1.00 0.00 O ATOM 343 CG2 THR A 21 9.210 5.599 -22.901 1.00 0.00 C ATOM 0 H THR A 21 12.471 5.005 -20.772 1.00 0.00 H new ATOM 0 HA THR A 21 11.294 7.359 -21.875 1.00 0.00 H new ATOM 0 HB THR A 21 10.664 4.397 -21.924 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.275 4.714 -24.171 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.954 4.836 -23.636 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.520 5.539 -22.060 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.136 6.584 -23.361 1.00 0.00 H new ATOM 351 N CYS A 22 9.310 7.870 -20.458 1.00 0.00 N ATOM 352 CA CYS A 22 8.151 8.170 -19.633 1.00 0.00 C ATOM 353 C CYS A 22 6.940 7.343 -20.056 1.00 0.00 C ATOM 354 O CYS A 22 6.431 7.476 -21.168 1.00 0.00 O ATOM 355 CB CYS A 22 7.805 9.657 -19.674 1.00 0.00 C ATOM 356 SG CYS A 22 8.937 10.715 -18.717 1.00 0.00 S ATOM 0 H CYS A 22 9.613 8.632 -21.065 1.00 0.00 H new ATOM 0 HA CYS A 22 8.413 7.905 -18.609 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.805 9.990 -20.712 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.792 9.793 -19.296 1.00 0.00 H new ATOM 361 N GLN A 23 6.521 6.460 -19.174 1.00 0.00 N ATOM 362 CA GLN A 23 5.264 5.751 -19.308 1.00 0.00 C ATOM 363 C GLN A 23 4.093 6.734 -19.225 1.00 0.00 C ATOM 364 O GLN A 23 4.148 7.719 -18.486 1.00 0.00 O ATOM 365 CB GLN A 23 5.167 4.713 -18.192 1.00 0.00 C ATOM 366 CG GLN A 23 3.796 4.095 -18.043 1.00 0.00 C ATOM 367 CD GLN A 23 3.347 4.062 -16.609 1.00 0.00 C ATOM 368 OE1 GLN A 23 3.607 3.113 -15.875 1.00 0.00 O ATOM 369 NE2 GLN A 23 2.677 5.118 -16.195 1.00 0.00 N ATOM 0 H GLN A 23 7.047 6.211 -18.336 1.00 0.00 H new ATOM 0 HA GLN A 23 5.221 5.253 -20.276 1.00 0.00 H new ATOM 0 HB2 GLN A 23 5.892 3.922 -18.382 1.00 0.00 H new ATOM 0 HB3 GLN A 23 5.447 5.182 -17.249 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.077 4.661 -18.635 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.810 3.081 -18.442 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.483 5.884 -16.840 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.352 5.169 -15.230 1.00 0.00 H new ATOM 378 N HIS A 24 3.034 6.442 -19.971 1.00 0.00 N ATOM 379 CA HIS A 24 1.886 7.340 -20.079 1.00 0.00 C ATOM 380 C HIS A 24 1.116 7.426 -18.768 1.00 0.00 C ATOM 381 O HIS A 24 1.004 6.449 -18.029 1.00 0.00 O ATOM 382 CB HIS A 24 0.946 6.871 -21.191 1.00 0.00 C ATOM 383 CG HIS A 24 1.586 6.829 -22.546 1.00 0.00 C ATOM 384 ND1 HIS A 24 2.266 5.730 -23.023 1.00 0.00 N ATOM 385 CD2 HIS A 24 1.651 7.761 -23.525 1.00 0.00 C ATOM 386 CE1 HIS A 24 2.722 5.987 -24.233 1.00 0.00 C ATOM 387 NE2 HIS A 24 2.363 7.212 -24.559 1.00 0.00 N ATOM 0 H HIS A 24 2.945 5.584 -20.515 1.00 0.00 H new ATOM 0 HA HIS A 24 2.270 8.332 -20.317 1.00 0.00 H new ATOM 0 HB2 HIS A 24 0.574 5.877 -20.944 1.00 0.00 H new ATOM 0 HB3 HIS A 24 0.082 7.535 -21.228 1.00 0.00 H new ATOM 0 HD2 HIS A 24 1.222 8.752 -23.497 1.00 0.00 H new ATOM 0 HE1 HIS A 24 3.292 5.309 -24.851 1.00 0.00 H new ATOM 0 HE2 HIS A 24 2.580 7.677 -25.440 1.00 0.00 H new ATOM 396 N TRP A 25 0.596 8.614 -18.485 1.00 0.00 N ATOM 397 CA TRP A 25 -0.193 8.847 -17.284 1.00 0.00 C ATOM 398 C TRP A 25 -1.510 8.085 -17.344 1.00 0.00 C ATOM 399 O TRP A 25 -2.006 7.606 -16.329 1.00 0.00 O ATOM 400 CB TRP A 25 -0.474 10.336 -17.092 1.00 0.00 C ATOM 401 CG TRP A 25 0.758 11.174 -17.000 1.00 0.00 C ATOM 402 CD1 TRP A 25 1.234 12.035 -17.942 1.00 0.00 C ATOM 403 CD2 TRP A 25 1.674 11.227 -15.903 1.00 0.00 C ATOM 404 NE1 TRP A 25 2.385 12.628 -17.494 1.00 0.00 N ATOM 405 CE2 TRP A 25 2.680 12.143 -16.248 1.00 0.00 C ATOM 406 CE3 TRP A 25 1.738 10.590 -14.666 1.00 0.00 C ATOM 407 CZ2 TRP A 25 3.740 12.437 -15.398 1.00 0.00 C ATOM 408 CZ3 TRP A 25 2.790 10.878 -13.824 1.00 0.00 C ATOM 409 CH2 TRP A 25 3.780 11.793 -14.193 1.00 0.00 C ATOM 0 H TRP A 25 0.709 9.437 -19.077 1.00 0.00 H new ATOM 0 HA TRP A 25 0.389 8.486 -16.436 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -1.083 10.692 -17.923 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -1.063 10.471 -16.185 1.00 0.00 H new ATOM 0 HD1 TRP A 25 0.772 12.222 -18.900 1.00 0.00 H new ATOM 0 HE1 TRP A 25 2.933 13.319 -18.006 1.00 0.00 H new ATOM 0 HE3 TRP A 25 0.977 9.883 -14.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 4.503 13.148 -15.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 2.851 10.389 -12.863 1.00 0.00 H new ATOM 0 HH2 TRP A 25 4.593 11.995 -13.512 1.00 0.00 H new ATOM 420 N SER A 26 -2.070 7.982 -18.538 1.00 0.00 N ATOM 421 CA SER A 26 -3.319 7.267 -18.734 1.00 0.00 C ATOM 422 C SER A 26 -3.076 5.761 -18.811 1.00 0.00 C ATOM 423 O SER A 26 -4.002 4.979 -19.019 1.00 0.00 O ATOM 424 CB SER A 26 -3.994 7.773 -20.004 1.00 0.00 C ATOM 425 OG SER A 26 -3.087 7.786 -21.095 1.00 0.00 O ATOM 0 H SER A 26 -1.677 8.386 -19.388 1.00 0.00 H new ATOM 0 HA SER A 26 -3.974 7.451 -17.883 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.847 7.138 -20.244 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.382 8.778 -19.838 1.00 0.00 H new ATOM 0 HG SER A 26 -3.545 8.113 -21.897 1.00 0.00 H new ATOM 431 N ALA A 27 -1.822 5.368 -18.646 1.00 0.00 N ATOM 432 CA ALA A 27 -1.447 3.971 -18.638 1.00 0.00 C ATOM 433 C ALA A 27 -1.152 3.517 -17.220 1.00 0.00 C ATOM 434 O ALA A 27 -0.297 4.081 -16.541 1.00 0.00 O ATOM 435 CB ALA A 27 -0.232 3.742 -19.519 1.00 0.00 C ATOM 0 H ALA A 27 -1.041 6.010 -18.515 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.279 3.387 -19.032 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.036 2.686 -19.501 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.463 4.041 -20.542 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.604 4.335 -19.147 1.00 0.00 H new ATOM 441 N GLN A 28 -1.878 2.515 -16.771 1.00 0.00 N ATOM 442 CA GLN A 28 -1.622 1.906 -15.476 1.00 0.00 C ATOM 443 C GLN A 28 -0.662 0.732 -15.638 1.00 0.00 C ATOM 444 O GLN A 28 -0.578 -0.158 -14.789 1.00 0.00 O ATOM 445 CB GLN A 28 -2.928 1.456 -14.821 1.00 0.00 C ATOM 446 CG GLN A 28 -3.818 2.609 -14.383 1.00 0.00 C ATOM 447 CD GLN A 28 -3.306 3.257 -13.130 1.00 0.00 C ATOM 448 OE1 GLN A 28 -3.705 2.910 -12.022 1.00 0.00 O ATOM 449 NE2 GLN A 28 -2.380 4.179 -13.298 1.00 0.00 N ATOM 0 H GLN A 28 -2.656 2.101 -17.285 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.161 2.647 -14.823 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -3.479 0.829 -15.522 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.696 0.838 -13.954 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.873 3.350 -15.180 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.832 2.244 -14.217 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -2.080 4.435 -14.239 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.963 4.637 -12.487 1.00 0.00 H new ATOM 458 N THR A 29 0.044 0.746 -16.754 1.00 0.00 N ATOM 459 CA THR A 29 1.072 -0.228 -17.059 1.00 0.00 C ATOM 460 C THR A 29 2.189 0.487 -17.821 1.00 0.00 C ATOM 461 O THR A 29 1.901 1.362 -18.640 1.00 0.00 O ATOM 462 CB THR A 29 0.493 -1.385 -17.906 1.00 0.00 C ATOM 463 OG1 THR A 29 -0.629 -1.961 -17.226 1.00 0.00 O ATOM 464 CG2 THR A 29 1.532 -2.467 -18.167 1.00 0.00 C ATOM 0 H THR A 29 -0.084 1.446 -17.484 1.00 0.00 H new ATOM 0 HA THR A 29 1.462 -0.660 -16.137 1.00 0.00 H new ATOM 0 HB THR A 29 0.184 -0.973 -18.867 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.997 -2.693 -17.764 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.087 -3.262 -18.765 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.377 -2.038 -18.705 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.877 -2.877 -17.218 1.00 0.00 H new ATOM 472 N PRO A 30 3.476 0.168 -17.572 1.00 0.00 N ATOM 473 CA PRO A 30 3.915 -0.881 -16.631 1.00 0.00 C ATOM 474 C PRO A 30 3.557 -0.615 -15.161 1.00 0.00 C ATOM 475 O PRO A 30 3.177 -1.536 -14.439 1.00 0.00 O ATOM 476 CB PRO A 30 5.440 -0.906 -16.805 1.00 0.00 C ATOM 477 CG PRO A 30 5.797 0.402 -17.429 1.00 0.00 C ATOM 478 CD PRO A 30 4.615 0.812 -18.247 1.00 0.00 C ATOM 0 HA PRO A 30 3.413 -1.822 -16.855 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.941 -1.032 -15.845 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.748 -1.739 -17.437 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.020 1.149 -16.667 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.687 0.306 -18.052 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.503 1.896 -18.272 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.709 0.477 -19.280 1.00 0.00 H new ATOM 486 N HIS A 31 3.678 0.629 -14.720 1.00 0.00 N ATOM 487 CA HIS A 31 3.486 0.961 -13.307 1.00 0.00 C ATOM 488 C HIS A 31 2.035 1.351 -13.002 1.00 0.00 C ATOM 489 O HIS A 31 1.460 2.215 -13.669 1.00 0.00 O ATOM 490 CB HIS A 31 4.447 2.080 -12.888 1.00 0.00 C ATOM 491 CG HIS A 31 5.880 1.640 -12.798 1.00 0.00 C ATOM 492 ND1 HIS A 31 6.823 1.904 -13.773 1.00 0.00 N ATOM 493 CD2 HIS A 31 6.534 0.967 -11.821 1.00 0.00 C ATOM 494 CE1 HIS A 31 7.990 1.408 -13.395 1.00 0.00 C ATOM 495 NE2 HIS A 31 7.840 0.839 -12.218 1.00 0.00 N ATOM 0 H HIS A 31 3.907 1.426 -15.314 1.00 0.00 H new ATOM 0 HA HIS A 31 3.709 0.067 -12.725 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.371 2.899 -13.603 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.135 2.472 -11.920 1.00 0.00 H new ATOM 0 HD1 HIS A 31 6.647 2.402 -14.646 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.106 0.599 -10.900 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.910 1.461 -13.958 1.00 0.00 H new ATOM 504 N THR A 32 1.460 0.734 -11.971 1.00 0.00 N ATOM 505 CA THR A 32 0.079 1.005 -11.576 1.00 0.00 C ATOM 506 C THR A 32 0.023 2.179 -10.588 1.00 0.00 C ATOM 507 O THR A 32 -0.068 2.018 -9.373 1.00 0.00 O ATOM 508 CB THR A 32 -0.603 -0.259 -10.994 1.00 0.00 C ATOM 509 OG1 THR A 32 -1.926 0.049 -10.539 1.00 0.00 O ATOM 510 CG2 THR A 32 0.214 -0.869 -9.859 1.00 0.00 C ATOM 0 H THR A 32 1.932 0.040 -11.392 1.00 0.00 H new ATOM 0 HA THR A 32 -0.479 1.287 -12.469 1.00 0.00 H new ATOM 0 HB THR A 32 -0.664 -0.996 -11.795 1.00 0.00 H new ATOM 0 HG1 THR A 32 -2.344 -0.760 -10.176 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.297 -1.753 -9.477 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.199 -1.151 -10.231 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.324 -0.139 -9.057 1.00 0.00 H new ATOM 518 N HIS A 33 0.110 3.370 -11.154 1.00 0.00 N ATOM 519 CA HIS A 33 0.229 4.610 -10.380 1.00 0.00 C ATOM 520 C HIS A 33 -1.119 5.281 -10.144 1.00 0.00 C ATOM 521 O HIS A 33 -1.993 5.236 -10.991 1.00 0.00 O ATOM 522 CB HIS A 33 1.151 5.579 -11.112 1.00 0.00 C ATOM 523 CG HIS A 33 0.714 5.865 -12.514 1.00 0.00 C ATOM 524 ND1 HIS A 33 0.038 7.004 -12.874 1.00 0.00 N ATOM 525 CD2 HIS A 33 0.854 5.141 -13.647 1.00 0.00 C ATOM 526 CE1 HIS A 33 -0.220 6.970 -14.163 1.00 0.00 C ATOM 527 NE2 HIS A 33 0.266 5.853 -14.659 1.00 0.00 N ATOM 0 H HIS A 33 0.101 3.513 -12.164 1.00 0.00 H new ATOM 0 HA HIS A 33 0.641 4.347 -9.406 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.199 6.515 -10.555 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.160 5.167 -11.130 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.339 4.180 -13.738 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.744 7.732 -14.721 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.214 5.564 -15.636 1.00 0.00 H new ATOM 536 N ASN A 34 -1.260 5.957 -9.016 1.00 0.00 N ATOM 537 CA ASN A 34 -2.481 6.708 -8.726 1.00 0.00 C ATOM 538 C ASN A 34 -2.432 8.127 -9.290 1.00 0.00 C ATOM 539 O ASN A 34 -3.405 8.870 -9.191 1.00 0.00 O ATOM 540 CB ASN A 34 -2.744 6.763 -7.222 1.00 0.00 C ATOM 541 CG ASN A 34 -1.472 6.695 -6.403 1.00 0.00 C ATOM 542 OD1 ASN A 34 -0.853 7.712 -6.096 1.00 0.00 O ATOM 543 ND2 ASN A 34 -1.067 5.485 -6.057 1.00 0.00 N ATOM 0 H ASN A 34 -0.550 6.004 -8.285 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.298 6.178 -9.216 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.276 7.684 -6.984 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.397 5.936 -6.941 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -0.211 5.369 -5.515 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -1.611 4.667 -6.332 1.00 0.00 H new ATOM 550 N ARG A 36 -1.304 8.518 -9.872 1.00 0.00 N ATOM 551 CA ARG A 36 -1.227 9.821 -10.530 1.00 0.00 C ATOM 552 C ARG A 36 -1.645 9.701 -11.987 1.00 0.00 C ATOM 553 O ARG A 36 -0.799 9.590 -12.873 1.00 0.00 O ATOM 554 CB ARG A 36 0.179 10.448 -10.441 1.00 0.00 C ATOM 555 CG ARG A 36 0.598 10.899 -9.043 1.00 0.00 C ATOM 556 CD ARG A 36 1.143 9.743 -8.220 1.00 0.00 C ATOM 557 NE ARG A 36 1.482 10.135 -6.852 1.00 0.00 N ATOM 558 CZ ARG A 36 1.995 9.305 -5.938 1.00 0.00 C ATOM 559 NH1 ARG A 36 2.212 8.030 -6.233 1.00 0.00 N1+ ATOM 560 NH2 ARG A 36 2.294 9.761 -4.732 1.00 0.00 N ATOM 0 H ARG A 36 -0.446 7.967 -9.903 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.913 10.483 -10.001 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.907 9.724 -10.806 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.220 11.307 -11.111 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.356 11.678 -9.124 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.258 11.339 -8.531 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.404 8.942 -8.192 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.030 9.341 -8.709 1.00 0.00 H new ATOM 0 HE ARG A 36 1.316 11.103 -6.578 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.987 7.676 -7.163 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.604 7.403 -5.530 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.133 10.742 -4.503 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.686 9.132 -4.031 1.00 0.00 H new ATOM 574 N THR A 37 -2.944 9.712 -12.221 1.00 0.00 N ATOM 575 CA THR A 37 -3.502 9.565 -13.558 1.00 0.00 C ATOM 576 C THR A 37 -4.300 10.813 -13.916 1.00 0.00 C ATOM 577 O THR A 37 -4.701 11.560 -13.027 1.00 0.00 O ATOM 578 CB THR A 37 -4.420 8.324 -13.637 1.00 0.00 C ATOM 579 OG1 THR A 37 -5.426 8.400 -12.618 1.00 0.00 O ATOM 580 CG2 THR A 37 -3.611 7.048 -13.461 1.00 0.00 C ATOM 0 H THR A 37 -3.646 9.823 -11.489 1.00 0.00 H new ATOM 0 HA THR A 37 -2.682 9.434 -14.264 1.00 0.00 H new ATOM 0 HB THR A 37 -4.894 8.305 -14.618 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.007 7.613 -12.672 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.275 6.185 -13.520 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.860 6.982 -14.248 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.118 7.061 -12.489 1.00 0.00 H new ATOM 588 N PRO A 38 -4.509 11.082 -15.215 1.00 0.00 N ATOM 589 CA PRO A 38 -5.277 12.246 -15.667 1.00 0.00 C ATOM 590 C PRO A 38 -6.727 12.208 -15.195 1.00 0.00 C ATOM 591 O PRO A 38 -7.436 13.205 -15.270 1.00 0.00 O ATOM 592 CB PRO A 38 -5.205 12.185 -17.196 1.00 0.00 C ATOM 593 CG PRO A 38 -4.731 10.812 -17.530 1.00 0.00 C ATOM 594 CD PRO A 38 -3.981 10.298 -16.338 1.00 0.00 C ATOM 0 HA PRO A 38 -4.868 13.170 -15.258 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.181 12.380 -17.641 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.521 12.939 -17.585 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.573 10.161 -17.764 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.088 10.831 -18.410 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.148 9.231 -16.192 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.906 10.440 -16.452 1.00 0.00 H new ATOM 602 N GLU A 39 -7.158 11.046 -14.717 1.00 0.00 N ATOM 603 CA GLU A 39 -8.477 10.902 -14.120 1.00 0.00 C ATOM 604 C GLU A 39 -8.439 11.323 -12.655 1.00 0.00 C ATOM 605 O GLU A 39 -9.469 11.614 -12.047 1.00 0.00 O ATOM 606 CB GLU A 39 -8.947 9.451 -14.227 1.00 0.00 C ATOM 607 CG GLU A 39 -9.064 8.951 -15.653 1.00 0.00 C ATOM 608 CD GLU A 39 -9.501 7.506 -15.717 1.00 0.00 C ATOM 609 OE1 GLU A 39 -10.716 7.245 -15.591 1.00 0.00 O ATOM 610 OE2 GLU A 39 -8.634 6.622 -15.891 1.00 0.00 O1- ATOM 0 H GLU A 39 -6.608 10.187 -14.733 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.175 11.544 -14.657 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.251 8.812 -13.684 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.916 9.355 -13.737 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.779 9.569 -16.196 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.103 9.061 -16.155 1.00 0.00 H new ATOM 617 N ASN A 40 -7.239 11.350 -12.101 1.00 0.00 N ATOM 618 CA ASN A 40 -7.039 11.680 -10.698 1.00 0.00 C ATOM 619 C ASN A 40 -6.518 13.095 -10.530 1.00 0.00 C ATOM 620 O ASN A 40 -6.848 13.781 -9.561 1.00 0.00 O ATOM 621 CB ASN A 40 -6.071 10.681 -10.051 1.00 0.00 C ATOM 622 CG ASN A 40 -6.775 9.433 -9.546 1.00 0.00 C ATOM 623 OD1 ASN A 40 -7.800 9.024 -10.090 1.00 0.00 O ATOM 624 ND2 ASN A 40 -6.225 8.803 -8.517 1.00 0.00 N ATOM 0 H ASN A 40 -6.378 11.145 -12.608 1.00 0.00 H new ATOM 0 HA ASN A 40 -8.006 11.617 -10.199 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -5.309 10.396 -10.777 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -5.556 11.165 -9.221 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -6.652 7.951 -8.153 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -5.375 9.170 -8.090 1.00 0.00 H new ATOM 631 N PHE A 41 -5.720 13.533 -11.486 1.00 0.00 N ATOM 632 CA PHE A 41 -5.115 14.855 -11.440 1.00 0.00 C ATOM 633 C PHE A 41 -5.295 15.569 -12.775 1.00 0.00 C ATOM 634 O PHE A 41 -4.317 15.878 -13.459 1.00 0.00 O ATOM 635 CB PHE A 41 -3.619 14.749 -11.113 1.00 0.00 C ATOM 636 CG PHE A 41 -3.317 14.159 -9.763 1.00 0.00 C ATOM 637 CD1 PHE A 41 -3.247 12.785 -9.592 1.00 0.00 C ATOM 638 CD2 PHE A 41 -3.091 14.979 -8.670 1.00 0.00 C ATOM 639 CE1 PHE A 41 -2.963 12.242 -8.353 1.00 0.00 C ATOM 640 CE2 PHE A 41 -2.808 14.441 -7.430 1.00 0.00 C ATOM 641 CZ PHE A 41 -2.743 13.072 -7.271 1.00 0.00 C ATOM 0 H PHE A 41 -5.473 12.988 -12.312 1.00 0.00 H new ATOM 0 HA PHE A 41 -5.611 15.429 -10.658 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.135 14.142 -11.878 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.176 15.744 -11.168 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.416 12.132 -10.436 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.137 16.051 -8.789 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.913 11.170 -8.231 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.638 15.092 -6.585 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.520 12.650 -6.302 1.00 0.00 H new ATOM 651 N PRO A 42 -6.550 15.851 -13.168 1.00 0.00 N ATOM 652 CA PRO A 42 -6.838 16.499 -14.447 1.00 0.00 C ATOM 653 C PRO A 42 -6.321 17.934 -14.473 1.00 0.00 C ATOM 654 O PRO A 42 -5.982 18.475 -15.526 1.00 0.00 O ATOM 655 CB PRO A 42 -8.371 16.478 -14.542 1.00 0.00 C ATOM 656 CG PRO A 42 -8.823 15.523 -13.491 1.00 0.00 C ATOM 657 CD PRO A 42 -7.781 15.571 -12.414 1.00 0.00 C ATOM 0 HA PRO A 42 -6.353 15.992 -15.281 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.788 17.471 -14.375 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.698 16.157 -15.531 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -9.801 15.806 -13.101 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -8.920 14.515 -13.895 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -7.992 16.349 -11.680 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -7.717 14.629 -11.870 1.00 0.00 H new ATOM 665 N SER A 43 -6.225 18.522 -13.288 1.00 0.00 N ATOM 666 CA SER A 43 -5.782 19.896 -13.123 1.00 0.00 C ATOM 667 C SER A 43 -4.260 20.000 -13.207 1.00 0.00 C ATOM 668 O SER A 43 -3.700 21.097 -13.220 1.00 0.00 O ATOM 669 CB SER A 43 -6.272 20.401 -11.768 1.00 0.00 C ATOM 670 OG SER A 43 -6.110 19.388 -10.787 1.00 0.00 O ATOM 0 H SER A 43 -6.454 18.055 -12.411 1.00 0.00 H new ATOM 0 HA SER A 43 -6.196 20.507 -13.926 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.714 21.292 -11.479 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.321 20.690 -11.835 1.00 0.00 H new ATOM 0 HG SER A 43 -6.425 19.719 -9.920 1.00 0.00 H new ATOM 676 N LYS A 44 -3.594 18.854 -13.277 1.00 0.00 N ATOM 677 CA LYS A 44 -2.140 18.822 -13.368 1.00 0.00 C ATOM 678 C LYS A 44 -1.725 18.483 -14.787 1.00 0.00 C ATOM 679 O LYS A 44 -0.543 18.422 -15.118 1.00 0.00 O ATOM 680 CB LYS A 44 -1.540 17.822 -12.373 1.00 0.00 C ATOM 681 CG LYS A 44 -1.717 18.229 -10.916 1.00 0.00 C ATOM 682 CD LYS A 44 -1.164 19.623 -10.655 1.00 0.00 C ATOM 683 CE LYS A 44 -1.292 20.013 -9.191 1.00 0.00 C ATOM 684 NZ LYS A 44 -0.285 19.330 -8.334 1.00 0.00 N1+ ATOM 0 H LYS A 44 -4.037 17.935 -13.272 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.755 19.809 -13.109 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.002 16.847 -12.528 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.477 17.708 -12.583 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.775 18.202 -10.655 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.211 17.509 -10.272 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.116 19.660 -10.951 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.696 20.347 -11.272 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.176 21.092 -9.094 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.293 19.766 -8.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.579 19.390 -7.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.212 18.331 -8.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 0.640 19.791 -8.451 1.00 0.00 H new ATOM 698 N ASN A 45 -2.749 18.254 -15.605 1.00 0.00 N ATOM 699 CA ASN A 45 -2.605 18.075 -17.044 1.00 0.00 C ATOM 700 C ASN A 45 -1.758 16.855 -17.383 1.00 0.00 C ATOM 701 O ASN A 45 -0.747 16.957 -18.062 1.00 0.00 O ATOM 702 CB ASN A 45 -2.018 19.338 -17.691 1.00 0.00 C ATOM 703 CG ASN A 45 -2.861 20.579 -17.441 1.00 0.00 C ATOM 704 OD1 ASN A 45 -2.370 21.704 -17.551 1.00 0.00 O ATOM 705 ND2 ASN A 45 -4.118 20.392 -17.053 1.00 0.00 N ATOM 0 H ASN A 45 -3.714 18.187 -15.281 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.601 17.904 -17.452 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.013 19.504 -17.304 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.924 19.179 -18.765 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.709 21.194 -16.835 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.492 19.446 -16.973 1.00 0.00 H new ATOM 712 N LEU A 46 -2.202 15.691 -16.938 1.00 0.00 N ATOM 713 CA LEU A 46 -1.479 14.446 -17.187 1.00 0.00 C ATOM 714 C LEU A 46 -1.709 13.966 -18.620 1.00 0.00 C ATOM 715 O LEU A 46 -2.402 12.979 -18.870 1.00 0.00 O ATOM 716 CB LEU A 46 -1.911 13.385 -16.166 1.00 0.00 C ATOM 717 CG LEU A 46 -1.002 13.231 -14.932 1.00 0.00 C ATOM 718 CD1 LEU A 46 -0.140 14.463 -14.707 1.00 0.00 C ATOM 719 CD2 LEU A 46 -1.823 12.942 -13.682 1.00 0.00 C ATOM 0 H LEU A 46 -3.062 15.578 -16.401 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.410 14.623 -17.070 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.918 13.626 -15.824 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.969 12.422 -16.674 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.343 12.386 -15.129 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.486 14.313 -13.827 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.493 14.628 -15.579 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.780 15.332 -14.553 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.157 12.838 -12.825 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.517 13.764 -13.504 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.383 12.017 -13.821 1.00 0.00 H new ATOM 731 N ASP A 47 -1.099 14.691 -19.552 1.00 0.00 N ATOM 732 CA ASP A 47 -1.239 14.437 -20.978 1.00 0.00 C ATOM 733 C ASP A 47 -0.206 13.433 -21.456 1.00 0.00 C ATOM 734 O ASP A 47 0.988 13.605 -21.202 1.00 0.00 O ATOM 735 CB ASP A 47 -1.044 15.738 -21.755 1.00 0.00 C ATOM 736 CG ASP A 47 -2.043 16.808 -21.388 1.00 0.00 C ATOM 737 OD1 ASP A 47 -3.259 16.580 -21.566 1.00 0.00 O1- ATOM 738 OD2 ASP A 47 -1.614 17.890 -20.931 1.00 0.00 O1- ATOM 0 H ASP A 47 -0.488 15.478 -19.335 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.237 14.035 -21.151 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.037 16.114 -21.574 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.120 15.530 -22.822 1.00 0.00 H new ATOM 743 N GLU A 48 -0.673 12.405 -22.164 1.00 0.00 N ATOM 744 CA GLU A 48 0.192 11.369 -22.727 1.00 0.00 C ATOM 745 C GLU A 48 1.144 10.811 -21.683 1.00 0.00 C ATOM 746 O GLU A 48 0.755 10.033 -20.813 1.00 0.00 O ATOM 747 CB GLU A 48 1.014 11.889 -23.916 1.00 0.00 C ATOM 748 CG GLU A 48 0.281 11.921 -25.250 1.00 0.00 C ATOM 749 CD GLU A 48 -0.975 12.765 -25.235 1.00 0.00 C ATOM 750 OE1 GLU A 48 -2.058 12.224 -24.918 1.00 0.00 O ATOM 751 OE2 GLU A 48 -0.891 13.969 -25.556 1.00 0.00 O1- ATOM 0 H GLU A 48 -1.664 12.267 -22.364 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.472 10.578 -23.074 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.358 12.897 -23.685 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.902 11.266 -24.023 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.956 12.303 -26.016 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.020 10.902 -25.535 1.00 0.00 H new ATOM 758 N ASN A 49 2.389 11.237 -21.779 1.00 0.00 N ATOM 759 CA ASN A 49 3.442 10.787 -20.891 1.00 0.00 C ATOM 760 C ASN A 49 4.401 11.930 -20.610 1.00 0.00 C ATOM 761 O ASN A 49 5.501 11.723 -20.106 1.00 0.00 O ATOM 762 CB ASN A 49 4.191 9.609 -21.519 1.00 0.00 C ATOM 763 CG ASN A 49 4.843 9.951 -22.854 1.00 0.00 C ATOM 764 OD1 ASN A 49 4.370 10.813 -23.598 1.00 0.00 O ATOM 765 ND2 ASN A 49 5.925 9.262 -23.171 1.00 0.00 N ATOM 0 H ASN A 49 2.699 11.910 -22.480 1.00 0.00 H new ATOM 0 HA ASN A 49 3.000 10.457 -19.951 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.958 9.264 -20.826 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.497 8.781 -21.663 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.399 9.436 -24.058 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.287 8.557 -22.529 1.00 0.00 H new ATOM 772 N TYR A 50 3.967 13.140 -20.953 1.00 0.00 N ATOM 773 CA TYR A 50 4.770 14.340 -20.736 1.00 0.00 C ATOM 774 C TYR A 50 5.159 14.460 -19.273 1.00 0.00 C ATOM 775 O TYR A 50 4.360 14.154 -18.390 1.00 0.00 O ATOM 776 CB TYR A 50 4.000 15.599 -21.133 1.00 0.00 C ATOM 777 CG TYR A 50 3.352 15.551 -22.500 1.00 0.00 C ATOM 778 CD1 TYR A 50 3.764 14.643 -23.468 1.00 0.00 C ATOM 779 CD2 TYR A 50 2.322 16.427 -22.818 1.00 0.00 C ATOM 780 CE1 TYR A 50 3.165 14.608 -24.714 1.00 0.00 C ATOM 781 CE2 TYR A 50 1.717 16.397 -24.060 1.00 0.00 C ATOM 782 CZ TYR A 50 2.142 15.486 -25.003 1.00 0.00 C ATOM 783 OH TYR A 50 1.545 15.457 -26.242 1.00 0.00 O ATOM 0 H TYR A 50 3.060 13.316 -21.384 1.00 0.00 H new ATOM 0 HA TYR A 50 5.662 14.249 -21.356 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.226 15.783 -20.388 1.00 0.00 H new ATOM 0 HB3 TYR A 50 4.682 16.449 -21.101 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.565 13.954 -23.244 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.988 17.144 -22.082 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.497 13.897 -25.456 1.00 0.00 H new ATOM 0 HE2 TYR A 50 0.916 17.083 -24.290 1.00 0.00 H new ATOM 0 HH TYR A 50 0.685 14.992 -26.180 1.00 0.00 H new ATOM 793 N CYS A 51 6.379 14.901 -19.023 1.00 0.00 N ATOM 794 CA CYS A 51 6.864 15.081 -17.663 1.00 0.00 C ATOM 795 C CYS A 51 6.071 16.152 -16.921 1.00 0.00 C ATOM 796 O CYS A 51 6.407 17.337 -16.965 1.00 0.00 O ATOM 797 CB CYS A 51 8.336 15.461 -17.669 1.00 0.00 C ATOM 798 SG CYS A 51 9.451 14.177 -18.309 1.00 0.00 S ATOM 0 H CYS A 51 7.056 15.143 -19.747 1.00 0.00 H new ATOM 0 HA CYS A 51 6.732 14.131 -17.145 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.462 16.363 -18.268 1.00 0.00 H new ATOM 0 HB3 CYS A 51 8.637 15.710 -16.651 1.00 0.00 H new ATOM 803 N ARG A 52 5.010 15.733 -16.258 1.00 0.00 N ATOM 804 CA ARG A 52 4.216 16.630 -15.435 1.00 0.00 C ATOM 805 C ARG A 52 4.661 16.533 -13.987 1.00 0.00 C ATOM 806 O ARG A 52 5.593 15.804 -13.665 1.00 0.00 O ATOM 807 CB ARG A 52 2.735 16.281 -15.545 1.00 0.00 C ATOM 808 CG ARG A 52 2.150 16.481 -16.936 1.00 0.00 C ATOM 809 CD ARG A 52 2.292 17.920 -17.423 1.00 0.00 C ATOM 810 NE ARG A 52 1.468 18.172 -18.608 1.00 0.00 N ATOM 811 CZ ARG A 52 1.435 19.318 -19.279 1.00 0.00 C ATOM 812 NH1 ARG A 52 2.229 20.319 -18.927 1.00 0.00 N1+ ATOM 813 NH2 ARG A 52 0.591 19.467 -20.298 1.00 0.00 N ATOM 0 H ARG A 52 4.675 14.770 -16.273 1.00 0.00 H new ATOM 0 HA ARG A 52 4.363 17.650 -15.789 1.00 0.00 H new ATOM 0 HB2 ARG A 52 2.595 15.241 -15.250 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.175 16.891 -14.836 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.649 15.812 -17.637 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.096 16.205 -16.927 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.003 18.605 -16.626 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.337 18.125 -17.656 1.00 0.00 H new ATOM 0 HE ARG A 52 0.876 17.412 -18.942 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.868 20.211 -18.139 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.202 21.198 -19.444 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.029 18.702 -20.563 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.565 20.346 -20.814 1.00 0.00 H new ATOM 827 N ASN A 53 4.004 17.269 -13.116 1.00 0.00 N ATOM 828 CA ASN A 53 4.254 17.138 -11.689 1.00 0.00 C ATOM 829 C ASN A 53 2.926 17.122 -10.933 1.00 0.00 C ATOM 830 O ASN A 53 2.567 18.075 -10.241 1.00 0.00 O ATOM 831 CB ASN A 53 5.185 18.256 -11.201 1.00 0.00 C ATOM 832 CG ASN A 53 5.591 18.110 -9.748 1.00 0.00 C ATOM 833 OD1 ASN A 53 5.351 17.077 -9.115 1.00 0.00 O ATOM 834 ND2 ASN A 53 6.254 19.137 -9.229 1.00 0.00 N ATOM 0 H ASN A 53 3.297 17.961 -13.364 1.00 0.00 H new ATOM 0 HA ASN A 53 4.761 16.194 -11.492 1.00 0.00 H new ATOM 0 HB2 ASN A 53 6.081 18.269 -11.821 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.689 19.217 -11.337 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.590 19.094 -8.267 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.428 19.969 -9.793 1.00 0.00 H new ATOM 841 N PRO A 54 2.162 16.024 -11.091 1.00 0.00 N ATOM 842 CA PRO A 54 0.840 15.875 -10.480 1.00 0.00 C ATOM 843 C PRO A 54 0.900 15.743 -8.964 1.00 0.00 C ATOM 844 O PRO A 54 0.233 16.490 -8.246 1.00 0.00 O ATOM 845 CB PRO A 54 0.290 14.590 -11.105 1.00 0.00 C ATOM 846 CG PRO A 54 1.486 13.828 -11.569 1.00 0.00 C ATOM 847 CD PRO A 54 2.536 14.848 -11.901 1.00 0.00 C ATOM 0 HA PRO A 54 0.219 16.752 -10.661 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.284 14.015 -10.378 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.380 14.813 -11.936 1.00 0.00 H new ATOM 0 HG2 PRO A 54 1.837 13.147 -10.794 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.245 13.221 -12.441 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.534 14.490 -11.648 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.542 15.082 -12.965 1.00 0.00 H new ATOM 855 N ASP A 55 1.697 14.790 -8.491 1.00 0.00 N ATOM 856 CA ASP A 55 1.819 14.515 -7.062 1.00 0.00 C ATOM 857 C ASP A 55 2.269 15.746 -6.280 1.00 0.00 C ATOM 858 O ASP A 55 1.753 16.029 -5.201 1.00 0.00 O ATOM 859 CB ASP A 55 2.800 13.372 -6.828 1.00 0.00 C ATOM 860 CG ASP A 55 2.892 12.995 -5.367 1.00 0.00 C ATOM 861 OD1 ASP A 55 1.957 12.343 -4.862 1.00 0.00 O1- ATOM 862 OD2 ASP A 55 3.897 13.345 -4.724 1.00 0.00 O1- ATOM 0 H ASP A 55 2.273 14.190 -9.082 1.00 0.00 H new ATOM 0 HA ASP A 55 0.831 14.232 -6.700 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.489 12.503 -7.408 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.786 13.661 -7.191 1.00 0.00 H new ATOM 867 N GLY A 56 3.221 16.479 -6.840 1.00 0.00 N ATOM 868 CA GLY A 56 3.701 17.682 -6.191 1.00 0.00 C ATOM 869 C GLY A 56 5.115 17.540 -5.675 1.00 0.00 C ATOM 870 O GLY A 56 5.371 17.687 -4.483 1.00 0.00 O ATOM 0 H GLY A 56 3.669 16.263 -7.731 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.657 18.513 -6.895 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.039 17.932 -5.362 1.00 0.00 H new ATOM 874 N LYS A 57 6.035 17.253 -6.577 1.00 0.00 N ATOM 875 CA LYS A 57 7.440 17.151 -6.229 1.00 0.00 C ATOM 876 C LYS A 57 8.139 18.473 -6.504 1.00 0.00 C ATOM 877 O LYS A 57 7.487 19.480 -6.776 1.00 0.00 O ATOM 878 CB LYS A 57 8.109 16.012 -7.008 1.00 0.00 C ATOM 879 CG LYS A 57 7.509 14.648 -6.711 1.00 0.00 C ATOM 880 CD LYS A 57 7.592 14.326 -5.228 1.00 0.00 C ATOM 881 CE LYS A 57 6.848 13.046 -4.884 1.00 0.00 C ATOM 882 NZ LYS A 57 7.554 11.834 -5.369 1.00 0.00 N1+ ATOM 0 H LYS A 57 5.832 17.085 -7.563 1.00 0.00 H new ATOM 0 HA LYS A 57 7.523 16.925 -5.166 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.025 16.213 -8.076 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.172 15.993 -6.769 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.468 14.627 -7.033 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.035 13.883 -7.283 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.637 14.228 -4.936 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.176 15.153 -4.653 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.722 12.982 -3.803 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.850 13.081 -5.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.955 11.335 -6.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.447 12.111 -5.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.756 11.205 -4.566 1.00 0.00 H new ATOM 896 N ARG A 59 9.458 18.471 -6.447 1.00 0.00 N ATOM 897 CA ARG A 59 10.231 19.687 -6.648 1.00 0.00 C ATOM 898 C ARG A 59 10.409 19.987 -8.134 1.00 0.00 C ATOM 899 O ARG A 59 10.748 21.104 -8.517 1.00 0.00 O ATOM 900 CB ARG A 59 11.597 19.534 -5.981 1.00 0.00 C ATOM 901 CG ARG A 59 12.469 18.481 -6.643 1.00 0.00 C ATOM 902 CD ARG A 59 13.687 18.155 -5.795 1.00 0.00 C ATOM 903 NE ARG A 59 13.335 17.397 -4.596 1.00 0.00 N ATOM 904 CZ ARG A 59 13.729 17.713 -3.365 1.00 0.00 C ATOM 905 NH1 ARG A 59 14.405 18.833 -3.142 1.00 0.00 N1+ ATOM 906 NH2 ARG A 59 13.417 16.915 -2.354 1.00 0.00 N ATOM 0 H ARG A 59 10.019 17.640 -6.263 1.00 0.00 H new ATOM 0 HA ARG A 59 9.691 20.520 -6.199 1.00 0.00 H new ATOM 0 HB2 ARG A 59 12.115 20.493 -6.004 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.455 19.273 -4.932 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.886 17.575 -6.808 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.790 18.836 -7.622 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.399 17.583 -6.389 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.185 19.080 -5.505 1.00 0.00 H new ATOM 0 HE ARG A 59 12.748 16.571 -4.711 1.00 0.00 H new ATOM 0 HH11 ARG A 59 14.626 19.458 -3.917 1.00 0.00 H new ATOM 0 HH12 ARG A 59 14.704 19.069 -2.196 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.878 16.065 -2.522 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.715 17.150 -1.408 1.00 0.00 H new ATOM 920 N ALA A 60 10.162 18.985 -8.964 1.00 0.00 N ATOM 921 CA ALA A 60 10.399 19.099 -10.395 1.00 0.00 C ATOM 922 C ALA A 60 9.494 18.138 -11.153 1.00 0.00 C ATOM 923 O ALA A 60 8.932 17.218 -10.554 1.00 0.00 O ATOM 924 CB ALA A 60 11.862 18.803 -10.705 1.00 0.00 C ATOM 0 H ALA A 60 9.796 18.080 -8.669 1.00 0.00 H new ATOM 0 HA ALA A 60 10.171 20.117 -10.713 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.031 18.890 -11.778 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.497 19.515 -10.178 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.105 17.791 -10.381 1.00 0.00 H new ATOM 930 N PRO A 61 9.327 18.349 -12.473 1.00 0.00 N ATOM 931 CA PRO A 61 8.564 17.438 -13.330 1.00 0.00 C ATOM 932 C PRO A 61 9.092 16.017 -13.249 1.00 0.00 C ATOM 933 O PRO A 61 10.306 15.791 -13.257 1.00 0.00 O ATOM 934 CB PRO A 61 8.785 18.000 -14.735 1.00 0.00 C ATOM 935 CG PRO A 61 9.083 19.433 -14.517 1.00 0.00 C ATOM 936 CD PRO A 61 9.854 19.495 -13.232 1.00 0.00 C ATOM 0 HA PRO A 61 7.515 17.383 -13.040 1.00 0.00 H new ATOM 0 HB2 PRO A 61 9.609 17.495 -15.239 1.00 0.00 H new ATOM 0 HB3 PRO A 61 7.901 17.869 -15.359 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.665 19.842 -15.343 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.166 20.018 -14.452 1.00 0.00 H new ATOM 0 HD2 PRO A 61 10.927 19.408 -13.401 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.689 20.436 -12.708 1.00 0.00 H new ATOM 944 N TRP A 62 8.183 15.068 -13.178 1.00 0.00 N ATOM 945 CA TRP A 62 8.548 13.679 -13.040 1.00 0.00 C ATOM 946 C TRP A 62 7.562 12.807 -13.792 1.00 0.00 C ATOM 947 O TRP A 62 6.487 13.262 -14.177 1.00 0.00 O ATOM 948 CB TRP A 62 8.594 13.288 -11.560 1.00 0.00 C ATOM 949 CG TRP A 62 7.268 13.351 -10.859 1.00 0.00 C ATOM 950 CD1 TRP A 62 6.713 14.428 -10.232 1.00 0.00 C ATOM 951 CD2 TRP A 62 6.343 12.274 -10.698 1.00 0.00 C ATOM 952 NE1 TRP A 62 5.497 14.081 -9.691 1.00 0.00 N ATOM 953 CE2 TRP A 62 5.251 12.761 -9.959 1.00 0.00 C ATOM 954 CE3 TRP A 62 6.340 10.943 -11.109 1.00 0.00 C ATOM 955 CZ2 TRP A 62 4.166 11.954 -9.619 1.00 0.00 C ATOM 956 CZ3 TRP A 62 5.267 10.149 -10.772 1.00 0.00 C ATOM 957 CH2 TRP A 62 4.194 10.656 -10.030 1.00 0.00 C ATOM 0 H TRP A 62 7.178 15.238 -13.214 1.00 0.00 H new ATOM 0 HA TRP A 62 9.540 13.529 -13.466 1.00 0.00 H new ATOM 0 HB2 TRP A 62 8.987 12.275 -11.477 1.00 0.00 H new ATOM 0 HB3 TRP A 62 9.295 13.945 -11.045 1.00 0.00 H new ATOM 0 HD1 TRP A 62 7.162 15.408 -10.170 1.00 0.00 H new ATOM 0 HE1 TRP A 62 4.879 14.706 -9.174 1.00 0.00 H new ATOM 0 HE3 TRP A 62 7.164 10.542 -11.681 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 3.334 12.344 -9.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 5.253 9.116 -11.086 1.00 0.00 H new ATOM 0 HH2 TRP A 62 3.371 10.004 -9.778 1.00 0.00 H new ATOM 968 N CYS A 63 7.926 11.564 -14.008 1.00 0.00 N ATOM 969 CA CYS A 63 7.045 10.636 -14.680 1.00 0.00 C ATOM 970 C CYS A 63 7.341 9.218 -14.218 1.00 0.00 C ATOM 971 O CYS A 63 8.184 9.003 -13.353 1.00 0.00 O ATOM 972 CB CYS A 63 7.217 10.750 -16.200 1.00 0.00 C ATOM 973 SG CYS A 63 8.763 10.015 -16.818 1.00 0.00 S ATOM 0 H CYS A 63 8.825 11.172 -13.729 1.00 0.00 H new ATOM 0 HA CYS A 63 6.012 10.880 -14.430 1.00 0.00 H new ATOM 0 HB2 CYS A 63 6.373 10.264 -16.690 1.00 0.00 H new ATOM 0 HB3 CYS A 63 7.187 11.802 -16.482 1.00 0.00 H new ATOM 978 N HIS A 64 6.631 8.255 -14.777 1.00 0.00 N ATOM 979 CA HIS A 64 6.864 6.857 -14.455 1.00 0.00 C ATOM 980 C HIS A 64 7.640 6.228 -15.583 1.00 0.00 C ATOM 981 O HIS A 64 7.321 6.448 -16.737 1.00 0.00 O ATOM 982 CB HIS A 64 5.536 6.128 -14.242 1.00 0.00 C ATOM 983 CG HIS A 64 4.770 6.673 -13.085 1.00 0.00 C ATOM 984 ND1 HIS A 64 3.838 7.677 -13.214 1.00 0.00 N ATOM 985 CD2 HIS A 64 4.819 6.368 -11.767 1.00 0.00 C ATOM 986 CE1 HIS A 64 3.345 7.968 -12.027 1.00 0.00 C ATOM 987 NE2 HIS A 64 3.923 7.188 -11.134 1.00 0.00 N ATOM 0 H HIS A 64 5.887 8.414 -15.457 1.00 0.00 H new ATOM 0 HA HIS A 64 7.435 6.781 -13.530 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.931 6.208 -15.145 1.00 0.00 H new ATOM 0 HB3 HIS A 64 5.728 5.067 -14.080 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.445 5.620 -11.303 1.00 0.00 H new ATOM 0 HE1 HIS A 64 2.595 8.718 -11.821 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.733 7.194 -10.132 1.00 0.00 H new ATOM 996 N THR A 65 8.665 5.472 -15.263 1.00 0.00 N ATOM 997 CA THR A 65 9.506 4.903 -16.295 1.00 0.00 C ATOM 998 C THR A 65 8.886 3.616 -16.820 1.00 0.00 C ATOM 999 O THR A 65 8.183 2.911 -16.094 1.00 0.00 O ATOM 1000 CB THR A 65 10.934 4.628 -15.772 1.00 0.00 C ATOM 1001 OG1 THR A 65 10.981 3.385 -15.067 1.00 0.00 O ATOM 1002 CG2 THR A 65 11.392 5.749 -14.849 1.00 0.00 C ATOM 0 H THR A 65 8.936 5.238 -14.308 1.00 0.00 H new ATOM 0 HA THR A 65 9.580 5.627 -17.106 1.00 0.00 H new ATOM 0 HB THR A 65 11.601 4.577 -16.632 1.00 0.00 H new ATOM 0 HG1 THR A 65 10.869 3.549 -14.107 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.400 5.537 -14.491 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.392 6.693 -15.395 1.00 0.00 H new ATOM 0 HG23 THR A 65 10.713 5.821 -13.999 1.00 0.00 H new ATOM 1010 N THR A 66 9.109 3.341 -18.093 1.00 0.00 N ATOM 1011 CA THR A 66 8.690 2.086 -18.691 1.00 0.00 C ATOM 1012 C THR A 66 9.645 0.952 -18.322 1.00 0.00 C ATOM 1013 O THR A 66 9.602 -0.134 -18.907 1.00 0.00 O ATOM 1014 CB THR A 66 8.610 2.213 -20.219 1.00 0.00 C ATOM 1015 OG1 THR A 66 9.809 2.821 -20.715 1.00 0.00 O ATOM 1016 CG2 THR A 66 7.405 3.044 -20.625 1.00 0.00 C ATOM 0 H THR A 66 9.582 3.976 -18.737 1.00 0.00 H new ATOM 0 HA THR A 66 7.701 1.851 -18.298 1.00 0.00 H new ATOM 0 HB THR A 66 8.503 1.216 -20.647 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.011 2.467 -21.606 1.00 0.00 H new ATOM 0 HG21 THR A 66 7.366 3.122 -21.712 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.495 2.566 -20.263 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.488 4.041 -20.192 1.00 0.00 H new ATOM 1024 N ASN A 67 10.499 1.211 -17.339 1.00 0.00 N ATOM 1025 CA ASN A 67 11.495 0.245 -16.897 1.00 0.00 C ATOM 1026 C ASN A 67 11.167 -0.225 -15.491 1.00 0.00 C ATOM 1027 O ASN A 67 10.479 0.466 -14.748 1.00 0.00 O ATOM 1028 CB ASN A 67 12.895 0.870 -16.903 1.00 0.00 C ATOM 1029 CG ASN A 67 13.350 1.302 -18.282 1.00 0.00 C ATOM 1030 OD1 ASN A 67 13.967 0.531 -19.017 1.00 0.00 O ATOM 1031 ND2 ASN A 67 13.059 2.543 -18.641 1.00 0.00 N ATOM 0 H ASN A 67 10.520 2.094 -16.828 1.00 0.00 H new ATOM 0 HA ASN A 67 11.480 -0.601 -17.584 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.903 1.733 -16.238 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.609 0.151 -16.501 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.348 2.890 -19.555 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.546 3.151 -18.003 1.00 0.00 H new ATOM 1038 N SER A 68 11.660 -1.395 -15.128 1.00 0.00 N ATOM 1039 CA SER A 68 11.452 -1.922 -13.790 1.00 0.00 C ATOM 1040 C SER A 68 12.690 -1.669 -12.935 1.00 0.00 C ATOM 1041 O SER A 68 12.768 -2.101 -11.784 1.00 0.00 O ATOM 1042 CB SER A 68 11.138 -3.417 -13.851 1.00 0.00 C ATOM 1043 OG SER A 68 10.039 -3.667 -14.707 1.00 0.00 O ATOM 0 H SER A 68 12.208 -1.999 -15.741 1.00 0.00 H new ATOM 0 HA SER A 68 10.602 -1.412 -13.336 1.00 0.00 H new ATOM 0 HB2 SER A 68 12.012 -3.962 -14.206 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.916 -3.787 -12.850 1.00 0.00 H new ATOM 0 HG SER A 68 9.857 -4.630 -14.733 1.00 0.00 H new ATOM 1049 N GLN A 69 13.656 -0.966 -13.520 1.00 0.00 N ATOM 1050 CA GLN A 69 14.874 -0.582 -12.815 1.00 0.00 C ATOM 1051 C GLN A 69 14.537 0.454 -11.756 1.00 0.00 C ATOM 1052 O GLN A 69 15.086 0.457 -10.655 1.00 0.00 O ATOM 1053 CB GLN A 69 15.886 0.019 -13.792 1.00 0.00 C ATOM 1054 CG GLN A 69 16.151 -0.830 -15.018 1.00 0.00 C ATOM 1055 CD GLN A 69 17.034 -0.123 -16.028 1.00 0.00 C ATOM 1056 OE1 GLN A 69 17.879 0.694 -15.670 1.00 0.00 O ATOM 1057 NE2 GLN A 69 16.830 -0.420 -17.300 1.00 0.00 N ATOM 0 H GLN A 69 13.617 -0.649 -14.489 1.00 0.00 H new ATOM 0 HA GLN A 69 15.306 -1.469 -12.351 1.00 0.00 H new ATOM 0 HB2 GLN A 69 15.527 0.997 -14.113 1.00 0.00 H new ATOM 0 HB3 GLN A 69 16.827 0.182 -13.267 1.00 0.00 H new ATOM 0 HG2 GLN A 69 16.625 -1.764 -14.715 1.00 0.00 H new ATOM 0 HG3 GLN A 69 15.203 -1.092 -15.488 1.00 0.00 H new ATOM 0 HE21 GLN A 69 16.118 -1.104 -17.556 1.00 0.00 H new ATOM 0 HE22 GLN A 69 17.384 0.035 -18.025 1.00 0.00 H new ATOM 1066 N VAL A 70 13.619 1.328 -12.122 1.00 0.00 N ATOM 1067 CA VAL A 70 13.210 2.437 -11.292 1.00 0.00 C ATOM 1068 C VAL A 70 11.718 2.682 -11.480 1.00 0.00 C ATOM 1069 O VAL A 70 11.178 2.425 -12.555 1.00 0.00 O ATOM 1070 CB VAL A 70 14.010 3.695 -11.681 1.00 0.00 C ATOM 1071 CG1 VAL A 70 13.841 3.991 -13.155 1.00 0.00 C ATOM 1072 CG2 VAL A 70 13.611 4.901 -10.851 1.00 0.00 C ATOM 0 H VAL A 70 13.132 1.284 -13.017 1.00 0.00 H new ATOM 0 HA VAL A 70 13.405 2.206 -10.245 1.00 0.00 H new ATOM 0 HB VAL A 70 15.061 3.491 -11.475 1.00 0.00 H new ATOM 0 HG11 VAL A 70 14.412 4.882 -13.415 1.00 0.00 H new ATOM 0 HG12 VAL A 70 14.203 3.145 -13.740 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.786 4.159 -13.374 1.00 0.00 H new ATOM 0 HG21 VAL A 70 14.200 5.765 -11.159 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.552 5.111 -11.001 1.00 0.00 H new ATOM 0 HG23 VAL A 70 13.794 4.694 -9.797 1.00 0.00 H new ATOM 1082 N ARG A 71 11.052 3.164 -10.450 1.00 0.00 N ATOM 1083 CA ARG A 71 9.626 3.419 -10.530 1.00 0.00 C ATOM 1084 C ARG A 71 9.365 4.718 -11.292 1.00 0.00 C ATOM 1085 O ARG A 71 9.207 4.715 -12.517 1.00 0.00 O ATOM 1086 CB ARG A 71 9.022 3.471 -9.125 1.00 0.00 C ATOM 1087 CG ARG A 71 7.528 3.746 -9.095 1.00 0.00 C ATOM 1088 CD ARG A 71 6.975 3.616 -7.687 1.00 0.00 C ATOM 1089 NE ARG A 71 7.727 4.411 -6.712 1.00 0.00 N ATOM 1090 CZ ARG A 71 7.397 4.495 -5.425 1.00 0.00 C ATOM 1091 NH1 ARG A 71 6.299 3.891 -4.982 1.00 0.00 N1+ ATOM 1092 NH2 ARG A 71 8.160 5.181 -4.582 1.00 0.00 N ATOM 0 H ARG A 71 11.474 3.387 -9.548 1.00 0.00 H new ATOM 0 HA ARG A 71 9.147 2.606 -11.075 1.00 0.00 H new ATOM 0 HB2 ARG A 71 9.215 2.522 -8.624 1.00 0.00 H new ATOM 0 HB3 ARG A 71 9.533 4.244 -8.551 1.00 0.00 H new ATOM 0 HG2 ARG A 71 7.332 4.749 -9.474 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.014 3.049 -9.757 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.931 3.931 -7.680 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.994 2.568 -7.388 1.00 0.00 H new ATOM 0 HE ARG A 71 8.545 4.926 -7.036 1.00 0.00 H new ATOM 0 HH11 ARG A 71 5.711 3.364 -5.628 1.00 0.00 H new ATOM 0 HH12 ARG A 71 6.045 3.954 -3.996 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.003 5.646 -4.920 1.00 0.00 H new ATOM 0 HH22 ARG A 71 7.903 5.243 -3.597 1.00 0.00 H new ATOM 1106 N TRP A 72 9.300 5.820 -10.566 1.00 0.00 N ATOM 1107 CA TRP A 72 9.164 7.127 -11.176 1.00 0.00 C ATOM 1108 C TRP A 72 10.540 7.776 -11.337 1.00 0.00 C ATOM 1109 O TRP A 72 11.501 7.371 -10.678 1.00 0.00 O ATOM 1110 CB TRP A 72 8.221 8.009 -10.352 1.00 0.00 C ATOM 1111 CG TRP A 72 8.735 8.345 -8.993 1.00 0.00 C ATOM 1112 CD1 TRP A 72 8.743 7.542 -7.894 1.00 0.00 C ATOM 1113 CD2 TRP A 72 9.307 9.586 -8.592 1.00 0.00 C ATOM 1114 NE1 TRP A 72 9.295 8.205 -6.833 1.00 0.00 N ATOM 1115 CE2 TRP A 72 9.649 9.466 -7.234 1.00 0.00 C ATOM 1116 CE3 TRP A 72 9.566 10.784 -9.253 1.00 0.00 C ATOM 1117 CZ2 TRP A 72 10.237 10.507 -6.524 1.00 0.00 C ATOM 1118 CZ3 TRP A 72 10.146 11.816 -8.550 1.00 0.00 C ATOM 1119 CH2 TRP A 72 10.478 11.674 -7.198 1.00 0.00 C ATOM 0 H TRP A 72 9.340 5.833 -9.547 1.00 0.00 H new ATOM 0 HA TRP A 72 8.725 7.013 -12.167 1.00 0.00 H new ATOM 0 HB2 TRP A 72 8.036 8.934 -10.898 1.00 0.00 H new ATOM 0 HB3 TRP A 72 7.262 7.502 -10.251 1.00 0.00 H new ATOM 0 HD1 TRP A 72 8.368 6.530 -7.864 1.00 0.00 H new ATOM 0 HE1 TRP A 72 9.422 7.823 -5.896 1.00 0.00 H new ATOM 0 HE3 TRP A 72 9.317 10.901 -10.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 10.494 10.399 -5.481 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 10.348 12.751 -9.051 1.00 0.00 H new ATOM 0 HH2 TRP A 72 10.934 12.502 -6.676 1.00 0.00 H new ATOM 1130 N GLU A 73 10.631 8.775 -12.198 1.00 0.00 N ATOM 1131 CA GLU A 73 11.884 9.475 -12.439 1.00 0.00 C ATOM 1132 C GLU A 73 11.619 10.943 -12.717 1.00 0.00 C ATOM 1133 O GLU A 73 10.582 11.297 -13.276 1.00 0.00 O ATOM 1134 CB GLU A 73 12.616 8.848 -13.624 1.00 0.00 C ATOM 1135 CG GLU A 73 13.907 8.152 -13.249 1.00 0.00 C ATOM 1136 CD GLU A 73 15.018 9.132 -12.951 1.00 0.00 C ATOM 1137 OE1 GLU A 73 15.015 9.712 -11.844 1.00 0.00 O1- ATOM 1138 OE2 GLU A 73 15.891 9.321 -13.827 1.00 0.00 O1- ATOM 0 H GLU A 73 9.845 9.123 -12.747 1.00 0.00 H new ATOM 0 HA GLU A 73 12.508 9.390 -11.549 1.00 0.00 H new ATOM 0 HB2 GLU A 73 11.955 8.129 -14.108 1.00 0.00 H new ATOM 0 HB3 GLU A 73 12.833 9.625 -14.357 1.00 0.00 H new ATOM 0 HG2 GLU A 73 13.738 7.521 -12.376 1.00 0.00 H new ATOM 0 HG3 GLU A 73 14.213 7.495 -14.063 1.00 0.00 H new ATOM 1145 N TYR A 74 12.554 11.790 -12.310 1.00 0.00 N ATOM 1146 CA TYR A 74 12.461 13.216 -12.580 1.00 0.00 C ATOM 1147 C TYR A 74 12.823 13.509 -14.023 1.00 0.00 C ATOM 1148 O TYR A 74 13.364 12.656 -14.722 1.00 0.00 O ATOM 1149 CB TYR A 74 13.398 14.019 -11.676 1.00 0.00 C ATOM 1150 CG TYR A 74 12.914 14.192 -10.261 1.00 0.00 C ATOM 1151 CD1 TYR A 74 11.759 14.913 -9.994 1.00 0.00 C ATOM 1152 CD2 TYR A 74 13.622 13.659 -9.194 1.00 0.00 C ATOM 1153 CE1 TYR A 74 11.323 15.098 -8.695 1.00 0.00 C ATOM 1154 CE2 TYR A 74 13.191 13.836 -7.895 1.00 0.00 C ATOM 1155 CZ TYR A 74 12.042 14.559 -7.652 1.00 0.00 C ATOM 1156 OH TYR A 74 11.608 14.739 -6.358 1.00 0.00 O ATOM 0 H TYR A 74 13.387 11.513 -11.791 1.00 0.00 H new ATOM 0 HA TYR A 74 11.430 13.511 -12.383 1.00 0.00 H new ATOM 0 HB2 TYR A 74 14.370 13.527 -11.655 1.00 0.00 H new ATOM 0 HB3 TYR A 74 13.549 15.004 -12.117 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.193 15.335 -10.811 1.00 0.00 H new ATOM 0 HD2 TYR A 74 14.525 13.097 -9.383 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.423 15.662 -8.500 1.00 0.00 H new ATOM 0 HE2 TYR A 74 13.750 13.411 -7.074 1.00 0.00 H new ATOM 0 HH TYR A 74 12.226 14.295 -5.741 1.00 0.00 H new ATOM 1166 N CYS A 75 12.536 14.724 -14.450 1.00 0.00 N ATOM 1167 CA CYS A 75 12.935 15.185 -15.771 1.00 0.00 C ATOM 1168 C CYS A 75 13.556 16.567 -15.663 1.00 0.00 C ATOM 1169 O CYS A 75 12.994 17.462 -15.028 1.00 0.00 O ATOM 1170 CB CYS A 75 11.743 15.257 -16.723 1.00 0.00 C ATOM 1171 SG CYS A 75 10.644 13.808 -16.713 1.00 0.00 S ATOM 0 H CYS A 75 12.025 15.415 -13.900 1.00 0.00 H new ATOM 0 HA CYS A 75 13.656 14.470 -16.168 1.00 0.00 H new ATOM 0 HB2 CYS A 75 11.154 16.140 -16.474 1.00 0.00 H new ATOM 0 HB3 CYS A 75 12.118 15.400 -17.736 1.00 0.00 H new ATOM 1176 N LYS A 76 14.699 16.762 -16.292 1.00 0.00 N ATOM 1177 CA LYS A 76 15.346 18.053 -16.238 1.00 0.00 C ATOM 1178 C LYS A 76 14.893 18.905 -17.405 1.00 0.00 C ATOM 1179 O LYS A 76 15.459 18.856 -18.497 1.00 0.00 O ATOM 1180 CB LYS A 76 16.871 17.943 -16.220 1.00 0.00 C ATOM 1181 CG LYS A 76 17.551 19.292 -16.041 1.00 0.00 C ATOM 1182 CD LYS A 76 19.053 19.152 -15.900 1.00 0.00 C ATOM 1183 CE LYS A 76 19.731 20.512 -15.779 1.00 0.00 C ATOM 1184 NZ LYS A 76 19.175 21.319 -14.660 1.00 0.00 N1+ ATOM 0 H LYS A 76 15.190 16.054 -16.837 1.00 0.00 H new ATOM 0 HA LYS A 76 15.051 18.527 -15.301 1.00 0.00 H new ATOM 0 HB2 LYS A 76 17.174 17.277 -15.412 1.00 0.00 H new ATOM 0 HB3 LYS A 76 17.210 17.490 -17.151 1.00 0.00 H new ATOM 0 HG2 LYS A 76 17.324 19.929 -16.896 1.00 0.00 H new ATOM 0 HG3 LYS A 76 17.148 19.788 -15.158 1.00 0.00 H new ATOM 0 HD2 LYS A 76 19.283 18.550 -15.021 1.00 0.00 H new ATOM 0 HD3 LYS A 76 19.453 18.620 -16.763 1.00 0.00 H new ATOM 0 HE2 LYS A 76 20.801 20.370 -15.626 1.00 0.00 H new ATOM 0 HE3 LYS A 76 19.612 21.060 -16.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 19.781 22.148 -14.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 18.215 21.635 -14.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 19.140 20.739 -13.797 1.00 0.00 H new ATOM 1198 N ILE A 77 13.842 19.663 -17.165 1.00 0.00 N ATOM 1199 CA ILE A 77 13.356 20.628 -18.135 1.00 0.00 C ATOM 1200 C ILE A 77 14.276 21.848 -18.067 1.00 0.00 C ATOM 1201 O ILE A 77 14.893 22.075 -17.022 1.00 0.00 O ATOM 1202 CB ILE A 77 11.889 21.037 -17.810 1.00 0.00 C ATOM 1203 CG1 ILE A 77 11.018 19.799 -17.562 1.00 0.00 C ATOM 1204 CG2 ILE A 77 11.275 21.895 -18.905 1.00 0.00 C ATOM 1205 CD1 ILE A 77 11.150 18.712 -18.608 1.00 0.00 C ATOM 0 H ILE A 77 13.303 19.630 -16.300 1.00 0.00 H new ATOM 0 HA ILE A 77 13.362 20.198 -19.137 1.00 0.00 H new ATOM 0 HB ILE A 77 11.924 21.636 -16.900 1.00 0.00 H new ATOM 0 HG12 ILE A 77 11.274 19.381 -16.589 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.975 20.110 -17.511 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.252 22.155 -18.633 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.861 22.806 -19.025 1.00 0.00 H new ATOM 0 HG23 ILE A 77 11.271 21.340 -19.843 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.498 17.877 -18.350 1.00 0.00 H new ATOM 0 HD12 ILE A 77 10.864 19.108 -19.582 1.00 0.00 H new ATOM 0 HD13 ILE A 77 12.183 18.367 -18.646 1.00 0.00 H new ATOM 1217 N PRO A 78 14.438 22.631 -19.157 1.00 0.00 N ATOM 1218 CA PRO A 78 15.223 23.866 -19.107 1.00 0.00 C ATOM 1219 C PRO A 78 14.643 24.833 -18.087 1.00 0.00 C ATOM 1220 O PRO A 78 13.750 24.491 -17.335 1.00 0.00 O ATOM 1221 CB PRO A 78 15.101 24.436 -20.522 1.00 0.00 C ATOM 1222 CG PRO A 78 14.756 23.266 -21.367 1.00 0.00 C ATOM 1223 CD PRO A 78 13.891 22.399 -20.504 1.00 0.00 C ATOM 0 HA PRO A 78 16.257 23.695 -18.808 1.00 0.00 H new ATOM 0 HB2 PRO A 78 14.330 25.205 -20.575 1.00 0.00 H new ATOM 0 HB3 PRO A 78 16.034 24.898 -20.845 1.00 0.00 H new ATOM 0 HG2 PRO A 78 14.228 23.574 -22.270 1.00 0.00 H new ATOM 0 HG3 PRO A 78 15.652 22.734 -21.687 1.00 0.00 H new ATOM 0 HD2 PRO A 78 12.841 22.683 -20.569 1.00 0.00 H new ATOM 0 HD3 PRO A 78 13.955 21.350 -20.792 1.00 0.00 H new