USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=21 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 16 THR OG1 : rot -67:sc= -0.478 USER MOD Set 1.2: A 20 HIS : no HD1:sc= -2.32 K(o=-3.9,f=-4.8!) USER MOD Set 1.3: A 67 ASN : amide:sc= -1.08 K(o=-3.9,f=-2.5) USER MOD Set 1.4: A 69 GLN : amide:sc= 0.0076 K(o=-3.9,f=-2.5) USER MOD Set 2.1: A 24 HIS : no HD1:sc= 0 X(o=-4.3,f=-4.4) USER MOD Set 2.2: A 49 ASN : amide:sc= -4.27! C(o=-4.3!,f=-3.1!) USER MOD Set 3.1: A 23 GLN : amide:sc= -1.15! C(o=-7.4!,f=-10!) USER MOD Set 3.2: A 33 HIS : no HD1:sc= -6.2! C(o=-7.4!,f=-8.6!) USER MOD Set 4.1: A 3 LYS NZ :NH3+ 142:sc= 0.397 (180deg=0) USER MOD Set 4.2: A 8 ASN : amide:sc= 0.102 K(o=0.5,f=-4.6!) USER MOD Single : A 1 CYS N :NH3+ -151:sc= 0.297 (180deg=0.0377) USER MOD Single : A 1 CYS SG : rot 180:sc= 0.145 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00647 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -4.03! C(o=-4!,f=-11!) USER MOD Single : A 18 SER OG : rot 114:sc= 1.29 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0361 USER MOD Single : A 28 GLN : amide:sc= 0.276 K(o=0.28,f=-0.67) USER MOD Single : A 29 THR OG1 : rot 180:sc=-0.00793 USER MOD Single : A 31 HIS : no HE2:sc= -1.25 K(o=-1.3,f=-2.1) USER MOD Single : A 32 THR OG1 : rot 57:sc= 0.0428 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.113 K(o=-0.11,f=-0.76) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 142:sc= 0.249 (180deg=-0.00175) USER MOD Single : A 45 ASN : amide:sc= -1.4 K(o=-1.4,f=-0.56) USER MOD Single : A 50 TYR OH : rot 85:sc= 1.27 USER MOD Single : A 53 ASN : amide:sc= 1.08 K(o=1.1,f=-14!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -1.13 K(o=-1.1,f=-1.8) USER MOD Single : A 65 THR OG1 : rot -84:sc= 0.428 USER MOD Single : A 66 THR OG1 : rot 129:sc= -2.67! USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc=-0.000773 USER MOD Single : A 76 LYS NZ :NH3+ -129:sc= -0.0437 (180deg=-0.366) USER MOD ----------------------------------------------------------------- ATOM 55 N CYS A 1 11.006 26.909 -20.994 1.00 0.00 N ATOM 56 CA CYS A 1 11.640 26.774 -19.697 1.00 0.00 C ATOM 57 C CYS A 1 10.652 26.239 -18.676 1.00 0.00 C ATOM 58 O CYS A 1 9.439 26.292 -18.880 1.00 0.00 O ATOM 59 CB CYS A 1 12.218 28.110 -19.231 1.00 0.00 C ATOM 60 SG CYS A 1 11.058 29.516 -19.280 1.00 0.00 S ATOM 0 H1 CYS A 1 11.718 26.789 -21.743 1.00 0.00 H new ATOM 0 H2 CYS A 1 10.269 26.182 -21.098 1.00 0.00 H new ATOM 0 H3 CYS A 1 10.575 27.852 -21.073 1.00 0.00 H new ATOM 0 HA CYS A 1 12.461 26.063 -19.793 1.00 0.00 H new ATOM 0 HB2 CYS A 1 12.581 27.994 -18.210 1.00 0.00 H new ATOM 0 HB3 CYS A 1 13.082 28.350 -19.851 1.00 0.00 H new ATOM 0 HG CYS A 1 11.660 30.590 -18.861 1.00 0.00 H new ATOM 65 N LEU A 2 11.182 25.690 -17.596 1.00 0.00 N ATOM 66 CA LEU A 2 10.362 25.103 -16.549 1.00 0.00 C ATOM 67 C LEU A 2 9.775 26.159 -15.618 1.00 0.00 C ATOM 68 O LEU A 2 10.387 27.195 -15.365 1.00 0.00 O ATOM 69 CB LEU A 2 11.201 24.126 -15.741 1.00 0.00 C ATOM 70 CG LEU A 2 10.459 23.365 -14.666 1.00 0.00 C ATOM 71 CD1 LEU A 2 9.337 22.556 -15.283 1.00 0.00 C ATOM 72 CD2 LEU A 2 11.426 22.478 -13.907 1.00 0.00 C ATOM 0 H LEU A 2 12.185 25.638 -17.420 1.00 0.00 H new ATOM 0 HA LEU A 2 9.530 24.587 -17.029 1.00 0.00 H new ATOM 0 HB2 LEU A 2 11.651 23.407 -16.426 1.00 0.00 H new ATOM 0 HB3 LEU A 2 12.018 24.676 -15.274 1.00 0.00 H new ATOM 0 HG LEU A 2 10.016 24.068 -13.961 1.00 0.00 H new ATOM 0 HD11 LEU A 2 8.808 22.011 -14.501 1.00 0.00 H new ATOM 0 HD12 LEU A 2 8.643 23.225 -15.792 1.00 0.00 H new ATOM 0 HD13 LEU A 2 9.751 21.848 -16.001 1.00 0.00 H new ATOM 0 HD21 LEU A 2 10.887 21.931 -13.133 1.00 0.00 H new ATOM 0 HD22 LEU A 2 11.888 21.771 -14.596 1.00 0.00 H new ATOM 0 HD23 LEU A 2 12.199 23.093 -13.446 1.00 0.00 H new ATOM 84 N LYS A 3 8.595 25.856 -15.094 1.00 0.00 N ATOM 85 CA LYS A 3 7.911 26.723 -14.148 1.00 0.00 C ATOM 86 C LYS A 3 8.181 26.263 -12.716 1.00 0.00 C ATOM 87 O LYS A 3 7.253 26.063 -11.931 1.00 0.00 O ATOM 88 CB LYS A 3 6.401 26.710 -14.420 1.00 0.00 C ATOM 89 CG LYS A 3 5.792 25.314 -14.359 1.00 0.00 C ATOM 90 CD LYS A 3 4.272 25.341 -14.428 1.00 0.00 C ATOM 91 CE LYS A 3 3.668 26.056 -13.226 1.00 0.00 C ATOM 92 NZ LYS A 3 2.190 26.217 -13.336 1.00 0.00 N1+ ATOM 0 H LYS A 3 8.085 25.000 -15.314 1.00 0.00 H new ATOM 0 HA LYS A 3 8.289 27.738 -14.270 1.00 0.00 H new ATOM 0 HB2 LYS A 3 5.902 27.349 -13.692 1.00 0.00 H new ATOM 0 HB3 LYS A 3 6.212 27.139 -15.404 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.180 24.715 -15.183 1.00 0.00 H new ATOM 0 HG3 LYS A 3 6.103 24.825 -13.436 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.958 25.840 -15.345 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.891 24.321 -14.474 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.902 25.497 -12.320 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.130 27.038 -13.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.756 26.082 -12.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 1.970 27.172 -13.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.812 25.510 -13.999 1.00 0.00 H new ATOM 106 N GLY A 4 9.450 26.064 -12.392 1.00 0.00 N ATOM 107 CA GLY A 4 9.817 25.632 -11.054 1.00 0.00 C ATOM 108 C GLY A 4 9.485 24.173 -10.812 1.00 0.00 C ATOM 109 O GLY A 4 10.315 23.299 -11.047 1.00 0.00 O ATOM 0 H GLY A 4 10.235 26.193 -13.031 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.885 25.790 -10.903 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.297 26.248 -10.320 1.00 0.00 H new ATOM 113 N THR A 5 8.269 23.909 -10.355 1.00 0.00 N ATOM 114 CA THR A 5 7.818 22.543 -10.138 1.00 0.00 C ATOM 115 C THR A 5 7.399 21.897 -11.453 1.00 0.00 C ATOM 116 O THR A 5 7.483 20.683 -11.613 1.00 0.00 O ATOM 117 CB THR A 5 6.638 22.491 -9.150 1.00 0.00 C ATOM 118 OG1 THR A 5 5.639 23.455 -9.515 1.00 0.00 O ATOM 119 CG2 THR A 5 7.109 22.742 -7.730 1.00 0.00 C ATOM 0 H THR A 5 7.577 24.623 -10.127 1.00 0.00 H new ATOM 0 HA THR A 5 8.656 21.991 -9.713 1.00 0.00 H new ATOM 0 HB THR A 5 6.202 21.493 -9.196 1.00 0.00 H new ATOM 0 HG1 THR A 5 4.894 23.410 -8.880 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.257 22.700 -7.051 1.00 0.00 H new ATOM 0 HG22 THR A 5 7.836 21.980 -7.448 1.00 0.00 H new ATOM 0 HG23 THR A 5 7.573 23.726 -7.669 1.00 0.00 H new ATOM 127 N GLY A 6 6.947 22.726 -12.386 1.00 0.00 N ATOM 128 CA GLY A 6 6.547 22.239 -13.693 1.00 0.00 C ATOM 129 C GLY A 6 5.350 21.328 -13.641 1.00 0.00 C ATOM 130 O GLY A 6 5.415 20.179 -14.065 1.00 0.00 O ATOM 0 H GLY A 6 6.850 23.733 -12.259 1.00 0.00 H new ATOM 0 HA2 GLY A 6 6.322 23.089 -14.338 1.00 0.00 H new ATOM 0 HA3 GLY A 6 7.382 21.706 -14.147 1.00 0.00 H new ATOM 134 N GLU A 7 4.249 21.862 -13.152 1.00 0.00 N ATOM 135 CA GLU A 7 3.017 21.098 -13.045 1.00 0.00 C ATOM 136 C GLU A 7 2.470 20.861 -14.438 1.00 0.00 C ATOM 137 O GLU A 7 2.265 19.728 -14.871 1.00 0.00 O ATOM 138 CB GLU A 7 1.991 21.873 -12.220 1.00 0.00 C ATOM 139 CG GLU A 7 2.573 22.521 -10.978 1.00 0.00 C ATOM 140 CD GLU A 7 1.578 23.423 -10.292 1.00 0.00 C ATOM 141 OE1 GLU A 7 1.358 24.549 -10.786 1.00 0.00 O ATOM 142 OE2 GLU A 7 1.008 23.018 -9.259 1.00 0.00 O1- ATOM 0 H GLU A 7 4.180 22.824 -12.821 1.00 0.00 H new ATOM 0 HA GLU A 7 3.218 20.146 -12.553 1.00 0.00 H new ATOM 0 HB2 GLU A 7 1.543 22.645 -12.846 1.00 0.00 H new ATOM 0 HB3 GLU A 7 1.189 21.196 -11.925 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.899 21.746 -10.284 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.457 23.097 -11.250 1.00 0.00 H new ATOM 149 N ASN A 8 2.270 21.963 -15.135 1.00 0.00 N ATOM 150 CA ASN A 8 1.753 21.960 -16.485 1.00 0.00 C ATOM 151 C ASN A 8 2.486 23.016 -17.303 1.00 0.00 C ATOM 152 O ASN A 8 1.890 23.704 -18.126 1.00 0.00 O ATOM 153 CB ASN A 8 0.245 22.229 -16.455 1.00 0.00 C ATOM 154 CG ASN A 8 -0.115 23.590 -15.866 1.00 0.00 C ATOM 155 OD1 ASN A 8 0.630 24.158 -15.056 1.00 0.00 O ATOM 156 ND2 ASN A 8 -1.270 24.109 -16.247 1.00 0.00 N ATOM 0 H ASN A 8 2.465 22.896 -14.773 1.00 0.00 H new ATOM 0 HA ASN A 8 1.916 20.988 -16.950 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -0.149 22.165 -17.469 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.245 21.448 -15.873 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.574 25.007 -15.871 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.857 23.611 -16.917 1.00 0.00 H new ATOM 163 N TYR A 9 3.798 23.126 -17.039 1.00 0.00 N ATOM 164 CA TYR A 9 4.685 24.088 -17.707 1.00 0.00 C ATOM 165 C TYR A 9 4.341 24.278 -19.195 1.00 0.00 C ATOM 166 O TYR A 9 3.778 25.298 -19.576 1.00 0.00 O ATOM 167 CB TYR A 9 6.165 23.670 -17.520 1.00 0.00 C ATOM 168 CG TYR A 9 6.546 22.310 -18.098 1.00 0.00 C ATOM 169 CD1 TYR A 9 5.752 21.185 -17.898 1.00 0.00 C ATOM 170 CD2 TYR A 9 7.701 22.164 -18.858 1.00 0.00 C ATOM 171 CE1 TYR A 9 6.097 19.961 -18.438 1.00 0.00 C ATOM 172 CE2 TYR A 9 8.048 20.941 -19.402 1.00 0.00 C ATOM 173 CZ TYR A 9 7.243 19.845 -19.189 1.00 0.00 C ATOM 174 OH TYR A 9 7.579 18.633 -19.742 1.00 0.00 O ATOM 0 H TYR A 9 4.275 22.544 -16.350 1.00 0.00 H new ATOM 0 HA TYR A 9 4.530 25.057 -17.233 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.799 24.429 -17.978 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.391 23.667 -16.454 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.850 21.270 -17.310 1.00 0.00 H new ATOM 0 HD2 TYR A 9 8.338 23.020 -19.026 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.469 19.098 -18.271 1.00 0.00 H new ATOM 0 HE2 TYR A 9 8.948 20.846 -19.992 1.00 0.00 H new ATOM 0 HH TYR A 9 8.417 18.723 -20.243 1.00 0.00 H new ATOM 184 N ARG A 10 4.717 23.323 -20.031 1.00 0.00 N ATOM 185 CA ARG A 10 4.319 23.308 -21.422 1.00 0.00 C ATOM 186 C ARG A 10 3.729 21.948 -21.772 1.00 0.00 C ATOM 187 O ARG A 10 2.528 21.728 -21.651 1.00 0.00 O ATOM 188 CB ARG A 10 5.520 23.608 -22.330 1.00 0.00 C ATOM 189 CG ARG A 10 6.045 25.020 -22.225 1.00 0.00 C ATOM 190 CD ARG A 10 6.949 25.189 -21.033 1.00 0.00 C ATOM 191 NE ARG A 10 7.449 26.555 -20.926 1.00 0.00 N ATOM 192 CZ ARG A 10 6.800 27.555 -20.323 1.00 0.00 C ATOM 193 NH1 ARG A 10 5.575 27.383 -19.835 1.00 0.00 N1+ ATOM 194 NH2 ARG A 10 7.370 28.747 -20.243 1.00 0.00 N ATOM 0 H ARG A 10 5.308 22.537 -19.760 1.00 0.00 H new ATOM 0 HA ARG A 10 3.566 24.080 -21.579 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.326 22.915 -22.087 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.235 23.415 -23.364 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.590 25.275 -23.134 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.209 25.715 -22.149 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.406 24.928 -20.125 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.789 24.499 -21.112 1.00 0.00 H new ATOM 0 HE ARG A 10 8.358 26.761 -21.341 1.00 0.00 H new ATOM 0 HH11 ARG A 10 5.116 26.476 -19.918 1.00 0.00 H new ATOM 0 HH12 ARG A 10 5.095 28.158 -19.378 1.00 0.00 H new ATOM 0 HH21 ARG A 10 8.298 28.896 -20.640 1.00 0.00 H new ATOM 0 HH22 ARG A 10 6.882 29.516 -19.784 1.00 0.00 H new ATOM 208 N GLY A 11 4.599 21.020 -22.141 1.00 0.00 N ATOM 209 CA GLY A 11 4.167 19.692 -22.526 1.00 0.00 C ATOM 210 C GLY A 11 5.067 19.133 -23.598 1.00 0.00 C ATOM 211 O GLY A 11 4.603 18.596 -24.600 1.00 0.00 O ATOM 0 H GLY A 11 5.608 21.166 -22.181 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.175 19.034 -21.657 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.140 19.728 -22.888 1.00 0.00 H new ATOM 215 N ASN A 12 6.362 19.266 -23.374 1.00 0.00 N ATOM 216 CA ASN A 12 7.351 18.935 -24.387 1.00 0.00 C ATOM 217 C ASN A 12 8.087 17.642 -24.056 1.00 0.00 C ATOM 218 O ASN A 12 7.875 16.621 -24.707 1.00 0.00 O ATOM 219 CB ASN A 12 8.342 20.092 -24.548 1.00 0.00 C ATOM 220 CG ASN A 12 8.711 20.734 -23.219 1.00 0.00 C ATOM 221 OD1 ASN A 12 9.607 20.281 -22.519 1.00 0.00 O ATOM 222 ND2 ASN A 12 8.022 21.808 -22.869 1.00 0.00 N ATOM 0 H ASN A 12 6.756 19.603 -22.495 1.00 0.00 H new ATOM 0 HA ASN A 12 6.827 18.778 -25.330 1.00 0.00 H new ATOM 0 HB2 ASN A 12 9.246 19.726 -25.034 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.910 20.847 -25.205 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.231 22.285 -21.992 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.281 22.159 -23.476 1.00 0.00 H new ATOM 229 N VAL A 13 8.951 17.693 -23.050 1.00 0.00 N ATOM 230 CA VAL A 13 9.723 16.539 -22.637 1.00 0.00 C ATOM 231 C VAL A 13 8.826 15.406 -22.150 1.00 0.00 C ATOM 232 O VAL A 13 7.996 15.586 -21.254 1.00 0.00 O ATOM 233 CB VAL A 13 10.726 16.930 -21.537 1.00 0.00 C ATOM 234 CG1 VAL A 13 11.453 15.712 -21.001 1.00 0.00 C ATOM 235 CG2 VAL A 13 11.716 17.952 -22.075 1.00 0.00 C ATOM 0 H VAL A 13 9.132 18.534 -22.502 1.00 0.00 H new ATOM 0 HA VAL A 13 10.270 16.181 -23.509 1.00 0.00 H new ATOM 0 HB VAL A 13 10.173 17.376 -20.710 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.155 16.019 -20.226 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.730 15.013 -20.580 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.997 15.227 -21.811 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.422 18.223 -21.290 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.258 17.525 -22.919 1.00 0.00 H new ATOM 0 HG23 VAL A 13 11.178 18.842 -22.403 1.00 0.00 H new ATOM 245 N ALA A 14 9.002 14.244 -22.759 1.00 0.00 N ATOM 246 CA ALA A 14 8.236 13.058 -22.418 1.00 0.00 C ATOM 247 C ALA A 14 9.187 11.929 -22.031 1.00 0.00 C ATOM 248 O ALA A 14 8.842 10.742 -22.080 1.00 0.00 O ATOM 249 CB ALA A 14 7.361 12.658 -23.594 1.00 0.00 C ATOM 0 H ALA A 14 9.682 14.098 -23.505 1.00 0.00 H new ATOM 0 HA ALA A 14 7.588 13.268 -21.567 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.788 11.768 -23.335 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.678 13.473 -23.833 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.989 12.446 -24.459 1.00 0.00 H new ATOM 255 N VAL A 15 10.400 12.321 -21.662 1.00 0.00 N ATOM 256 CA VAL A 15 11.446 11.385 -21.278 1.00 0.00 C ATOM 257 C VAL A 15 12.160 11.896 -20.031 1.00 0.00 C ATOM 258 O VAL A 15 12.442 13.090 -19.914 1.00 0.00 O ATOM 259 CB VAL A 15 12.478 11.195 -22.417 1.00 0.00 C ATOM 260 CG1 VAL A 15 13.593 10.258 -21.986 1.00 0.00 C ATOM 261 CG2 VAL A 15 11.803 10.671 -23.678 1.00 0.00 C ATOM 0 H VAL A 15 10.686 13.299 -21.621 1.00 0.00 H new ATOM 0 HA VAL A 15 10.978 10.422 -21.074 1.00 0.00 H new ATOM 0 HB VAL A 15 12.914 12.169 -22.639 1.00 0.00 H new ATOM 0 HG11 VAL A 15 14.305 10.140 -22.803 1.00 0.00 H new ATOM 0 HG12 VAL A 15 14.103 10.674 -21.117 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.172 9.286 -21.729 1.00 0.00 H new ATOM 0 HG21 VAL A 15 12.548 10.546 -24.464 1.00 0.00 H new ATOM 0 HG22 VAL A 15 11.333 9.711 -23.467 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.045 11.382 -24.007 1.00 0.00 H new ATOM 271 N THR A 16 12.452 10.987 -19.112 1.00 0.00 N ATOM 272 CA THR A 16 13.084 11.336 -17.843 1.00 0.00 C ATOM 273 C THR A 16 14.435 12.025 -18.048 1.00 0.00 C ATOM 274 O THR A 16 14.949 12.080 -19.165 1.00 0.00 O ATOM 275 CB THR A 16 13.299 10.079 -16.984 1.00 0.00 C ATOM 276 OG1 THR A 16 14.225 9.200 -17.640 1.00 0.00 O ATOM 277 CG2 THR A 16 11.985 9.348 -16.748 1.00 0.00 C ATOM 0 H THR A 16 12.260 9.991 -19.222 1.00 0.00 H new ATOM 0 HA THR A 16 12.411 12.028 -17.336 1.00 0.00 H new ATOM 0 HB THR A 16 13.701 10.388 -16.019 1.00 0.00 H new ATOM 0 HG1 THR A 16 13.819 8.850 -18.460 1.00 0.00 H new ATOM 0 HG21 THR A 16 12.165 8.463 -16.138 1.00 0.00 H new ATOM 0 HG22 THR A 16 11.289 10.009 -16.232 1.00 0.00 H new ATOM 0 HG23 THR A 16 11.559 9.048 -17.705 1.00 0.00 H new ATOM 285 N VAL A 17 15.015 12.543 -16.971 1.00 0.00 N ATOM 286 CA VAL A 17 16.353 13.123 -17.028 1.00 0.00 C ATOM 287 C VAL A 17 17.369 12.066 -17.478 1.00 0.00 C ATOM 288 O VAL A 17 18.374 12.378 -18.123 1.00 0.00 O ATOM 289 CB VAL A 17 16.760 13.730 -15.660 1.00 0.00 C ATOM 290 CG1 VAL A 17 16.693 12.687 -14.554 1.00 0.00 C ATOM 291 CG2 VAL A 17 18.146 14.357 -15.727 1.00 0.00 C ATOM 0 H VAL A 17 14.581 12.573 -16.049 1.00 0.00 H new ATOM 0 HA VAL A 17 16.344 13.932 -17.758 1.00 0.00 H new ATOM 0 HB VAL A 17 16.045 14.518 -15.424 1.00 0.00 H new ATOM 0 HG11 VAL A 17 16.984 13.142 -13.607 1.00 0.00 H new ATOM 0 HG12 VAL A 17 15.675 12.305 -14.476 1.00 0.00 H new ATOM 0 HG13 VAL A 17 17.372 11.867 -14.786 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.404 14.774 -14.754 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.877 13.596 -16.001 1.00 0.00 H new ATOM 0 HG23 VAL A 17 18.151 15.150 -16.475 1.00 0.00 H new ATOM 301 N SER A 18 17.078 10.815 -17.154 1.00 0.00 N ATOM 302 CA SER A 18 17.890 9.697 -17.598 1.00 0.00 C ATOM 303 C SER A 18 17.308 9.128 -18.895 1.00 0.00 C ATOM 304 O SER A 18 16.422 9.732 -19.497 1.00 0.00 O ATOM 305 CB SER A 18 17.918 8.627 -16.508 1.00 0.00 C ATOM 306 OG SER A 18 18.103 9.212 -15.229 1.00 0.00 O ATOM 0 H SER A 18 16.278 10.550 -16.580 1.00 0.00 H new ATOM 0 HA SER A 18 18.910 10.031 -17.789 1.00 0.00 H new ATOM 0 HB2 SER A 18 16.986 8.063 -16.523 1.00 0.00 H new ATOM 0 HB3 SER A 18 18.722 7.919 -16.708 1.00 0.00 H new ATOM 0 HG SER A 18 17.295 9.082 -14.690 1.00 0.00 H new ATOM 312 N GLY A 19 17.778 7.966 -19.316 1.00 0.00 N ATOM 313 CA GLY A 19 17.306 7.391 -20.561 1.00 0.00 C ATOM 314 C GLY A 19 16.043 6.565 -20.390 1.00 0.00 C ATOM 315 O GLY A 19 15.798 5.631 -21.154 1.00 0.00 O ATOM 0 H GLY A 19 18.476 7.410 -18.822 1.00 0.00 H new ATOM 0 HA2 GLY A 19 17.116 8.192 -21.276 1.00 0.00 H new ATOM 0 HA3 GLY A 19 18.090 6.763 -20.986 1.00 0.00 H new ATOM 319 N HIS A 20 15.235 6.903 -19.389 1.00 0.00 N ATOM 320 CA HIS A 20 13.995 6.176 -19.142 1.00 0.00 C ATOM 321 C HIS A 20 12.844 6.817 -19.906 1.00 0.00 C ATOM 322 O HIS A 20 12.616 8.022 -19.806 1.00 0.00 O ATOM 323 CB HIS A 20 13.645 6.134 -17.648 1.00 0.00 C ATOM 324 CG HIS A 20 14.686 5.500 -16.779 1.00 0.00 C ATOM 325 ND1 HIS A 20 15.529 6.217 -15.952 1.00 0.00 N ATOM 326 CD2 HIS A 20 15.014 4.201 -16.609 1.00 0.00 C ATOM 327 CE1 HIS A 20 16.331 5.380 -15.318 1.00 0.00 C ATOM 328 NE2 HIS A 20 16.038 4.154 -15.700 1.00 0.00 N ATOM 0 H HIS A 20 15.415 7.670 -18.741 1.00 0.00 H new ATOM 0 HA HIS A 20 14.148 5.154 -19.488 1.00 0.00 H new ATOM 0 HB2 HIS A 20 13.472 7.153 -17.300 1.00 0.00 H new ATOM 0 HB3 HIS A 20 12.708 5.592 -17.523 1.00 0.00 H new ATOM 0 HD2 HIS A 20 14.554 3.356 -17.099 1.00 0.00 H new ATOM 0 HE1 HIS A 20 17.097 5.654 -14.607 1.00 0.00 H new ATOM 0 HE2 HIS A 20 16.499 3.306 -15.372 1.00 0.00 H new ATOM 337 N THR A 21 12.133 6.009 -20.673 1.00 0.00 N ATOM 338 CA THR A 21 10.934 6.461 -21.359 1.00 0.00 C ATOM 339 C THR A 21 9.811 6.708 -20.355 1.00 0.00 C ATOM 340 O THR A 21 9.501 5.834 -19.540 1.00 0.00 O ATOM 341 CB THR A 21 10.486 5.416 -22.404 1.00 0.00 C ATOM 342 OG1 THR A 21 11.438 5.359 -23.475 1.00 0.00 O ATOM 343 CG2 THR A 21 9.097 5.718 -22.955 1.00 0.00 C ATOM 0 H THR A 21 12.367 5.030 -20.837 1.00 0.00 H new ATOM 0 HA THR A 21 11.161 7.396 -21.872 1.00 0.00 H new ATOM 0 HB THR A 21 10.436 4.449 -21.904 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.150 4.693 -24.134 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.822 4.958 -23.686 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.374 5.715 -22.140 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.100 6.697 -23.434 1.00 0.00 H new ATOM 351 N CYS A 22 9.245 7.911 -20.366 1.00 0.00 N ATOM 352 CA CYS A 22 8.110 8.205 -19.510 1.00 0.00 C ATOM 353 C CYS A 22 6.884 7.411 -19.948 1.00 0.00 C ATOM 354 O CYS A 22 6.368 7.601 -21.048 1.00 0.00 O ATOM 355 CB CYS A 22 7.790 9.698 -19.502 1.00 0.00 C ATOM 356 SG CYS A 22 8.979 10.713 -18.567 1.00 0.00 S ATOM 0 H CYS A 22 9.552 8.687 -20.952 1.00 0.00 H new ATOM 0 HA CYS A 22 8.379 7.909 -18.496 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.755 10.056 -20.531 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.796 9.843 -19.080 1.00 0.00 H new ATOM 361 N GLN A 23 6.456 6.495 -19.102 1.00 0.00 N ATOM 362 CA GLN A 23 5.209 5.775 -19.292 1.00 0.00 C ATOM 363 C GLN A 23 4.015 6.730 -19.169 1.00 0.00 C ATOM 364 O GLN A 23 4.018 7.639 -18.333 1.00 0.00 O ATOM 365 CB GLN A 23 5.119 4.666 -18.247 1.00 0.00 C ATOM 366 CG GLN A 23 3.727 4.106 -18.064 1.00 0.00 C ATOM 367 CD GLN A 23 3.331 4.069 -16.612 1.00 0.00 C ATOM 368 OE1 GLN A 23 3.560 3.089 -15.910 1.00 0.00 O ATOM 369 NE2 GLN A 23 2.757 5.158 -16.145 1.00 0.00 N ATOM 0 H GLN A 23 6.964 6.227 -18.259 1.00 0.00 H new ATOM 0 HA GLN A 23 5.185 5.338 -20.290 1.00 0.00 H new ATOM 0 HB2 GLN A 23 5.791 3.856 -18.532 1.00 0.00 H new ATOM 0 HB3 GLN A 23 5.473 5.052 -17.291 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.014 4.714 -18.621 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.682 3.099 -18.480 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.585 5.950 -16.765 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.484 5.210 -15.164 1.00 0.00 H new ATOM 378 N HIS A 24 3.000 6.504 -20.002 1.00 0.00 N ATOM 379 CA HIS A 24 1.819 7.370 -20.062 1.00 0.00 C ATOM 380 C HIS A 24 1.097 7.449 -18.720 1.00 0.00 C ATOM 381 O HIS A 24 1.023 6.473 -17.975 1.00 0.00 O ATOM 382 CB HIS A 24 0.840 6.866 -21.125 1.00 0.00 C ATOM 383 CG HIS A 24 1.319 7.035 -22.532 1.00 0.00 C ATOM 384 ND1 HIS A 24 2.272 6.227 -23.105 1.00 0.00 N ATOM 385 CD2 HIS A 24 0.976 7.936 -23.482 1.00 0.00 C ATOM 386 CE1 HIS A 24 2.496 6.621 -24.343 1.00 0.00 C ATOM 387 NE2 HIS A 24 1.722 7.658 -24.599 1.00 0.00 N ATOM 0 H HIS A 24 2.971 5.719 -20.653 1.00 0.00 H new ATOM 0 HA HIS A 24 2.172 8.368 -20.322 1.00 0.00 H new ATOM 0 HB2 HIS A 24 0.640 5.810 -20.946 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -0.107 7.394 -21.010 1.00 0.00 H new ATOM 0 HD2 HIS A 24 0.249 8.728 -23.379 1.00 0.00 H new ATOM 0 HE1 HIS A 24 3.195 6.171 -25.032 1.00 0.00 H new ATOM 0 HE2 HIS A 24 1.684 8.168 -25.481 1.00 0.00 H new ATOM 396 N TRP A 25 0.571 8.634 -18.427 1.00 0.00 N ATOM 397 CA TRP A 25 -0.201 8.866 -17.210 1.00 0.00 C ATOM 398 C TRP A 25 -1.509 8.096 -17.250 1.00 0.00 C ATOM 399 O TRP A 25 -1.998 7.624 -16.227 1.00 0.00 O ATOM 400 CB TRP A 25 -0.491 10.355 -17.026 1.00 0.00 C ATOM 401 CG TRP A 25 0.737 11.201 -16.938 1.00 0.00 C ATOM 402 CD1 TRP A 25 1.190 12.081 -17.875 1.00 0.00 C ATOM 403 CD2 TRP A 25 1.666 11.253 -15.851 1.00 0.00 C ATOM 404 NE1 TRP A 25 2.343 12.677 -17.436 1.00 0.00 N ATOM 405 CE2 TRP A 25 2.658 12.184 -16.200 1.00 0.00 C ATOM 406 CE3 TRP A 25 1.755 10.604 -14.618 1.00 0.00 C ATOM 407 CZ2 TRP A 25 3.725 12.482 -15.359 1.00 0.00 C ATOM 408 CZ3 TRP A 25 2.815 10.898 -13.785 1.00 0.00 C ATOM 409 CH2 TRP A 25 3.789 11.830 -14.159 1.00 0.00 C ATOM 0 H TRP A 25 0.667 9.457 -19.022 1.00 0.00 H new ATOM 0 HA TRP A 25 0.394 8.515 -16.367 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -1.102 10.703 -17.859 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -1.081 10.492 -16.120 1.00 0.00 H new ATOM 0 HD1 TRP A 25 0.711 12.279 -18.823 1.00 0.00 H new ATOM 0 HE1 TRP A 25 2.880 13.376 -17.949 1.00 0.00 H new ATOM 0 HE3 TRP A 25 1.007 9.884 -14.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 4.477 13.203 -15.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 2.894 10.401 -12.829 1.00 0.00 H new ATOM 0 HH2 TRP A 25 4.608 12.039 -13.486 1.00 0.00 H new ATOM 420 N SER A 26 -2.079 7.983 -18.436 1.00 0.00 N ATOM 421 CA SER A 26 -3.313 7.247 -18.633 1.00 0.00 C ATOM 422 C SER A 26 -3.056 5.742 -18.624 1.00 0.00 C ATOM 423 O SER A 26 -3.989 4.935 -18.638 1.00 0.00 O ATOM 424 CB SER A 26 -3.933 7.682 -19.953 1.00 0.00 C ATOM 425 OG SER A 26 -2.944 7.745 -20.967 1.00 0.00 O ATOM 0 H SER A 26 -1.700 8.398 -19.287 1.00 0.00 H new ATOM 0 HA SER A 26 -4.002 7.464 -17.816 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.716 6.981 -20.243 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.406 8.657 -19.836 1.00 0.00 H new ATOM 0 HG SER A 26 -3.358 8.024 -21.810 1.00 0.00 H new ATOM 431 N ALA A 27 -1.782 5.379 -18.599 1.00 0.00 N ATOM 432 CA ALA A 27 -1.374 3.989 -18.575 1.00 0.00 C ATOM 433 C ALA A 27 -1.104 3.535 -17.154 1.00 0.00 C ATOM 434 O ALA A 27 -0.272 4.107 -16.454 1.00 0.00 O ATOM 435 CB ALA A 27 -0.134 3.790 -19.429 1.00 0.00 C ATOM 0 H ALA A 27 -1.006 6.041 -18.595 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.186 3.387 -18.983 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.162 2.741 -19.402 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.350 4.080 -20.457 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.677 4.406 -19.041 1.00 0.00 H new ATOM 441 N GLN A 28 -1.821 2.514 -16.725 1.00 0.00 N ATOM 442 CA GLN A 28 -1.572 1.895 -15.434 1.00 0.00 C ATOM 443 C GLN A 28 -0.625 0.717 -15.611 1.00 0.00 C ATOM 444 O GLN A 28 -0.591 -0.212 -14.809 1.00 0.00 O ATOM 445 CB GLN A 28 -2.883 1.452 -14.786 1.00 0.00 C ATOM 446 CG GLN A 28 -3.769 2.612 -14.363 1.00 0.00 C ATOM 447 CD GLN A 28 -3.256 3.273 -13.118 1.00 0.00 C ATOM 448 OE1 GLN A 28 -3.665 2.946 -12.006 1.00 0.00 O ATOM 449 NE2 GLN A 28 -2.317 4.179 -13.294 1.00 0.00 N ATOM 0 H GLN A 28 -2.585 2.093 -17.254 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.107 2.624 -14.771 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -3.431 0.822 -15.487 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.659 0.838 -13.913 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.821 3.344 -15.169 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.784 2.252 -14.193 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -2.009 4.418 -14.237 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.897 4.642 -12.488 1.00 0.00 H new ATOM 458 N THR A 29 0.121 0.770 -16.697 1.00 0.00 N ATOM 459 CA THR A 29 1.139 -0.210 -17.011 1.00 0.00 C ATOM 460 C THR A 29 2.232 0.489 -17.818 1.00 0.00 C ATOM 461 O THR A 29 1.917 1.343 -18.647 1.00 0.00 O ATOM 462 CB THR A 29 0.535 -1.385 -17.816 1.00 0.00 C ATOM 463 OG1 THR A 29 -0.531 -1.988 -17.068 1.00 0.00 O ATOM 464 CG2 THR A 29 1.578 -2.446 -18.134 1.00 0.00 C ATOM 0 H THR A 29 0.034 1.507 -17.396 1.00 0.00 H new ATOM 0 HA THR A 29 1.557 -0.624 -16.093 1.00 0.00 H new ATOM 0 HB THR A 29 0.159 -0.981 -18.756 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.912 -2.731 -17.582 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.114 -3.254 -18.700 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.380 -2.003 -18.725 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.988 -2.843 -17.205 1.00 0.00 H new ATOM 472 N PRO A 30 3.525 0.179 -17.602 1.00 0.00 N ATOM 473 CA PRO A 30 4.000 -0.834 -16.641 1.00 0.00 C ATOM 474 C PRO A 30 3.598 -0.577 -15.180 1.00 0.00 C ATOM 475 O PRO A 30 3.188 -1.499 -14.476 1.00 0.00 O ATOM 476 CB PRO A 30 5.532 -0.777 -16.780 1.00 0.00 C ATOM 477 CG PRO A 30 5.830 0.503 -17.494 1.00 0.00 C ATOM 478 CD PRO A 30 4.637 0.796 -18.341 1.00 0.00 C ATOM 0 HA PRO A 30 3.553 -1.802 -16.868 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.014 -0.801 -15.803 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.906 -1.634 -17.341 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.012 1.311 -16.785 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.727 0.408 -18.105 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.488 1.869 -18.466 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.740 0.370 -19.339 1.00 0.00 H new ATOM 486 N HIS A 31 3.704 0.667 -14.732 1.00 0.00 N ATOM 487 CA HIS A 31 3.503 0.990 -13.320 1.00 0.00 C ATOM 488 C HIS A 31 2.048 1.347 -13.005 1.00 0.00 C ATOM 489 O HIS A 31 1.449 2.199 -13.666 1.00 0.00 O ATOM 490 CB HIS A 31 4.434 2.132 -12.893 1.00 0.00 C ATOM 491 CG HIS A 31 5.862 1.708 -12.707 1.00 0.00 C ATOM 492 ND1 HIS A 31 6.872 2.002 -13.601 1.00 0.00 N ATOM 493 CD2 HIS A 31 6.449 1.021 -11.698 1.00 0.00 C ATOM 494 CE1 HIS A 31 8.012 1.515 -13.147 1.00 0.00 C ATOM 495 NE2 HIS A 31 7.782 0.917 -11.997 1.00 0.00 N ATOM 0 H HIS A 31 3.927 1.469 -15.321 1.00 0.00 H new ATOM 0 HA HIS A 31 3.747 0.094 -12.750 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.393 2.922 -13.643 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.066 2.559 -11.960 1.00 0.00 H new ATOM 0 HD1 HIS A 31 6.756 2.515 -14.475 1.00 0.00 H new ATOM 0 HD2 HIS A 31 5.957 0.628 -10.820 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.971 1.594 -13.636 1.00 0.00 H new ATOM 504 N THR A 32 1.498 0.706 -11.975 1.00 0.00 N ATOM 505 CA THR A 32 0.127 0.954 -11.535 1.00 0.00 C ATOM 506 C THR A 32 0.071 2.139 -10.565 1.00 0.00 C ATOM 507 O THR A 32 -0.030 1.979 -9.350 1.00 0.00 O ATOM 508 CB THR A 32 -0.470 -0.301 -10.868 1.00 0.00 C ATOM 509 OG1 THR A 32 0.486 -0.890 -9.976 1.00 0.00 O ATOM 510 CG2 THR A 32 -0.888 -1.330 -11.906 1.00 0.00 C ATOM 0 H THR A 32 1.989 0.002 -11.424 1.00 0.00 H new ATOM 0 HA THR A 32 -0.466 1.197 -12.417 1.00 0.00 H new ATOM 0 HB THR A 32 -1.353 0.009 -10.309 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.762 -0.228 -9.308 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.305 -2.204 -11.405 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.640 -0.897 -12.566 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.019 -1.629 -12.493 1.00 0.00 H new ATOM 518 N HIS A 33 0.165 3.332 -11.129 1.00 0.00 N ATOM 519 CA HIS A 33 0.280 4.571 -10.346 1.00 0.00 C ATOM 520 C HIS A 33 -1.074 5.237 -10.120 1.00 0.00 C ATOM 521 O HIS A 33 -1.940 5.183 -10.973 1.00 0.00 O ATOM 522 CB HIS A 33 1.211 5.547 -11.063 1.00 0.00 C ATOM 523 CG HIS A 33 0.788 5.845 -12.469 1.00 0.00 C ATOM 524 ND1 HIS A 33 0.124 6.992 -12.835 1.00 0.00 N ATOM 525 CD2 HIS A 33 0.943 5.129 -13.602 1.00 0.00 C ATOM 526 CE1 HIS A 33 -0.105 6.967 -14.129 1.00 0.00 C ATOM 527 NE2 HIS A 33 0.382 5.850 -14.619 1.00 0.00 N ATOM 0 H HIS A 33 0.165 3.478 -12.138 1.00 0.00 H new ATOM 0 HA HIS A 33 0.687 4.305 -9.370 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.254 6.479 -10.499 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.220 5.134 -11.074 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.422 4.165 -13.689 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.609 7.736 -14.695 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.347 5.567 -15.598 1.00 0.00 H new ATOM 536 N ASN A 34 -1.232 5.915 -8.997 1.00 0.00 N ATOM 537 CA ASN A 34 -2.480 6.626 -8.724 1.00 0.00 C ATOM 538 C ASN A 34 -2.456 8.036 -9.310 1.00 0.00 C ATOM 539 O ASN A 34 -3.461 8.734 -9.299 1.00 0.00 O ATOM 540 CB ASN A 34 -2.762 6.703 -7.227 1.00 0.00 C ATOM 541 CG ASN A 34 -2.878 5.338 -6.579 1.00 0.00 C ATOM 542 OD1 ASN A 34 -3.957 4.746 -6.541 1.00 0.00 O ATOM 543 ND2 ASN A 34 -1.777 4.838 -6.043 1.00 0.00 N ATOM 0 H ASN A 34 -0.526 5.992 -8.265 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.278 6.058 -9.203 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -1.964 7.264 -6.740 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.687 7.257 -7.064 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -1.803 3.931 -5.577 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -0.902 5.360 -6.095 1.00 0.00 H new ATOM 550 N ARG A 36 -1.303 8.465 -9.810 1.00 0.00 N ATOM 551 CA ARG A 36 -1.217 9.771 -10.458 1.00 0.00 C ATOM 552 C ARG A 36 -1.622 9.661 -11.922 1.00 0.00 C ATOM 553 O ARG A 36 -0.768 9.556 -12.800 1.00 0.00 O ATOM 554 CB ARG A 36 0.195 10.383 -10.354 1.00 0.00 C ATOM 555 CG ARG A 36 0.590 10.879 -8.964 1.00 0.00 C ATOM 556 CD ARG A 36 1.039 9.739 -8.064 1.00 0.00 C ATOM 557 NE ARG A 36 1.348 10.188 -6.704 1.00 0.00 N ATOM 558 CZ ARG A 36 1.290 9.406 -5.624 1.00 0.00 C ATOM 559 NH1 ARG A 36 0.888 8.146 -5.724 1.00 0.00 N1+ ATOM 560 NH2 ARG A 36 1.625 9.897 -4.441 1.00 0.00 N ATOM 0 H ARG A 36 -0.429 7.940 -9.781 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.905 10.434 -9.934 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.921 9.637 -10.676 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.264 11.217 -11.053 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.394 11.609 -9.054 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.257 11.391 -8.507 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.256 8.981 -8.024 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.920 9.265 -8.496 1.00 0.00 H new ATOM 0 HE ARG A 36 1.625 11.161 -6.574 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.620 7.767 -6.632 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.847 7.556 -4.893 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.925 10.868 -4.358 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.583 9.304 -3.612 1.00 0.00 H new ATOM 574 N THR A 37 -2.921 9.668 -12.167 1.00 0.00 N ATOM 575 CA THR A 37 -3.464 9.557 -13.513 1.00 0.00 C ATOM 576 C THR A 37 -4.288 10.801 -13.821 1.00 0.00 C ATOM 577 O THR A 37 -4.713 11.498 -12.902 1.00 0.00 O ATOM 578 CB THR A 37 -4.350 8.296 -13.652 1.00 0.00 C ATOM 579 OG1 THR A 37 -5.419 8.345 -12.700 1.00 0.00 O ATOM 580 CG2 THR A 37 -3.532 7.032 -13.430 1.00 0.00 C ATOM 0 H THR A 37 -3.631 9.751 -11.439 1.00 0.00 H new ATOM 0 HA THR A 37 -2.638 9.470 -14.219 1.00 0.00 H new ATOM 0 HB THR A 37 -4.758 8.275 -14.662 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.977 7.545 -12.794 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.176 6.159 -13.533 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.732 6.982 -14.169 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.101 7.049 -12.429 1.00 0.00 H new ATOM 588 N PRO A 38 -4.512 11.124 -15.106 1.00 0.00 N ATOM 589 CA PRO A 38 -5.304 12.298 -15.497 1.00 0.00 C ATOM 590 C PRO A 38 -6.745 12.205 -15.008 1.00 0.00 C ATOM 591 O PRO A 38 -7.483 13.191 -15.005 1.00 0.00 O ATOM 592 CB PRO A 38 -5.253 12.295 -17.027 1.00 0.00 C ATOM 593 CG PRO A 38 -4.801 10.925 -17.416 1.00 0.00 C ATOM 594 CD PRO A 38 -3.993 10.395 -16.271 1.00 0.00 C ATOM 0 HA PRO A 38 -4.908 13.214 -15.059 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.232 12.519 -17.451 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.564 13.054 -17.397 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.655 10.279 -17.618 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.204 10.959 -18.327 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.119 9.318 -16.157 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.928 10.578 -16.415 1.00 0.00 H new ATOM 602 N GLU A 39 -7.127 11.009 -14.595 1.00 0.00 N ATOM 603 CA GLU A 39 -8.449 10.756 -14.051 1.00 0.00 C ATOM 604 C GLU A 39 -8.460 11.076 -12.559 1.00 0.00 C ATOM 605 O GLU A 39 -9.512 11.276 -11.955 1.00 0.00 O ATOM 606 CB GLU A 39 -8.813 9.291 -14.285 1.00 0.00 C ATOM 607 CG GLU A 39 -8.650 8.863 -15.729 1.00 0.00 C ATOM 608 CD GLU A 39 -8.729 7.364 -15.907 1.00 0.00 C ATOM 609 OE1 GLU A 39 -7.684 6.696 -15.785 1.00 0.00 O ATOM 610 OE2 GLU A 39 -9.829 6.847 -16.178 1.00 0.00 O1- ATOM 0 H GLU A 39 -6.527 10.184 -14.628 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.183 11.391 -14.547 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.187 8.662 -13.653 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.845 9.125 -13.977 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.423 9.338 -16.333 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.690 9.219 -16.103 1.00 0.00 H new ATOM 617 N ASN A 40 -7.267 11.124 -11.983 1.00 0.00 N ATOM 618 CA ASN A 40 -7.092 11.396 -10.562 1.00 0.00 C ATOM 619 C ASN A 40 -6.616 12.821 -10.336 1.00 0.00 C ATOM 620 O ASN A 40 -6.926 13.443 -9.319 1.00 0.00 O ATOM 621 CB ASN A 40 -6.085 10.407 -9.963 1.00 0.00 C ATOM 622 CG ASN A 40 -6.717 9.079 -9.576 1.00 0.00 C ATOM 623 OD1 ASN A 40 -7.713 8.655 -10.161 1.00 0.00 O ATOM 624 ND2 ASN A 40 -6.132 8.402 -8.595 1.00 0.00 N ATOM 0 H ASN A 40 -6.393 10.976 -12.487 1.00 0.00 H new ATOM 0 HA ASN A 40 -8.056 11.275 -10.068 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -5.287 10.227 -10.684 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -5.624 10.854 -9.082 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -6.507 7.499 -8.304 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -5.307 8.785 -8.132 1.00 0.00 H new ATOM 631 N PHE A 41 -5.874 13.337 -11.301 1.00 0.00 N ATOM 632 CA PHE A 41 -5.320 14.679 -11.216 1.00 0.00 C ATOM 633 C PHE A 41 -5.577 15.440 -12.510 1.00 0.00 C ATOM 634 O PHE A 41 -4.636 15.797 -13.221 1.00 0.00 O ATOM 635 CB PHE A 41 -3.811 14.623 -10.959 1.00 0.00 C ATOM 636 CG PHE A 41 -3.425 14.021 -9.639 1.00 0.00 C ATOM 637 CD1 PHE A 41 -3.320 12.648 -9.492 1.00 0.00 C ATOM 638 CD2 PHE A 41 -3.157 14.831 -8.548 1.00 0.00 C ATOM 639 CE1 PHE A 41 -2.958 12.094 -8.282 1.00 0.00 C ATOM 640 CE2 PHE A 41 -2.795 14.282 -7.335 1.00 0.00 C ATOM 641 CZ PHE A 41 -2.695 12.912 -7.201 1.00 0.00 C ATOM 0 H PHE A 41 -5.639 12.842 -12.161 1.00 0.00 H new ATOM 0 HA PHE A 41 -5.807 15.193 -10.388 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.341 14.049 -11.757 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.408 15.634 -11.014 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.524 12.004 -10.334 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.232 15.904 -8.648 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.880 11.022 -8.180 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.590 14.924 -6.491 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.412 12.480 -6.252 1.00 0.00 H new ATOM 651 N PRO A 42 -6.852 15.703 -12.843 1.00 0.00 N ATOM 652 CA PRO A 42 -7.206 16.387 -14.089 1.00 0.00 C ATOM 653 C PRO A 42 -6.618 17.796 -14.167 1.00 0.00 C ATOM 654 O PRO A 42 -6.299 18.290 -15.248 1.00 0.00 O ATOM 655 CB PRO A 42 -8.738 16.449 -14.060 1.00 0.00 C ATOM 656 CG PRO A 42 -9.154 15.416 -13.070 1.00 0.00 C ATOM 657 CD PRO A 42 -8.048 15.347 -12.056 1.00 0.00 C ATOM 0 HA PRO A 42 -6.810 15.861 -14.958 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.086 17.439 -13.765 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.159 16.243 -15.044 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.099 15.685 -12.599 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.302 14.450 -13.553 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -8.211 16.043 -11.233 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -7.962 14.352 -11.620 1.00 0.00 H new ATOM 665 N SER A 43 -6.451 18.424 -13.009 1.00 0.00 N ATOM 666 CA SER A 43 -5.964 19.796 -12.941 1.00 0.00 C ATOM 667 C SER A 43 -4.445 19.857 -13.105 1.00 0.00 C ATOM 668 O SER A 43 -3.883 20.922 -13.355 1.00 0.00 O ATOM 669 CB SER A 43 -6.359 20.420 -11.602 1.00 0.00 C ATOM 670 OG SER A 43 -7.709 20.123 -11.282 1.00 0.00 O ATOM 0 H SER A 43 -6.647 18.003 -12.101 1.00 0.00 H new ATOM 0 HA SER A 43 -6.418 20.355 -13.759 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.704 20.046 -10.815 1.00 0.00 H new ATOM 0 HB3 SER A 43 -6.221 21.500 -11.645 1.00 0.00 H new ATOM 0 HG SER A 43 -7.938 20.531 -10.421 1.00 0.00 H new ATOM 676 N LYS A 44 -3.788 18.707 -12.986 1.00 0.00 N ATOM 677 CA LYS A 44 -2.332 18.658 -13.037 1.00 0.00 C ATOM 678 C LYS A 44 -1.842 18.361 -14.446 1.00 0.00 C ATOM 679 O LYS A 44 -0.644 18.216 -14.683 1.00 0.00 O ATOM 680 CB LYS A 44 -1.789 17.621 -12.053 1.00 0.00 C ATOM 681 CG LYS A 44 -1.983 18.008 -10.594 1.00 0.00 C ATOM 682 CD LYS A 44 -1.124 19.206 -10.207 1.00 0.00 C ATOM 683 CE LYS A 44 -1.354 19.610 -8.758 1.00 0.00 C ATOM 684 NZ LYS A 44 -0.504 20.761 -8.349 1.00 0.00 N1+ ATOM 0 H LYS A 44 -4.239 17.801 -12.854 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.956 19.639 -12.747 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.281 16.666 -12.236 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.726 17.473 -12.243 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.033 18.241 -10.416 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.732 17.160 -9.957 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.072 18.964 -10.356 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.354 20.047 -10.861 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.404 19.869 -8.618 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.146 18.759 -8.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.047 21.387 -7.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.337 20.411 -7.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.207 21.291 -9.193 1.00 0.00 H new ATOM 698 N ASN A 45 -2.798 18.246 -15.370 1.00 0.00 N ATOM 699 CA ASN A 45 -2.505 18.173 -16.802 1.00 0.00 C ATOM 700 C ASN A 45 -1.741 16.911 -17.174 1.00 0.00 C ATOM 701 O ASN A 45 -0.741 16.970 -17.865 1.00 0.00 O ATOM 702 CB ASN A 45 -1.719 19.416 -17.247 1.00 0.00 C ATOM 703 CG ASN A 45 -2.613 20.618 -17.487 1.00 0.00 C ATOM 704 OD1 ASN A 45 -2.341 21.445 -18.359 1.00 0.00 O ATOM 705 ND2 ASN A 45 -3.677 20.734 -16.709 1.00 0.00 N ATOM 0 H ASN A 45 -3.792 18.201 -15.148 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.461 18.138 -17.324 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.979 19.665 -16.486 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.172 19.187 -18.161 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.306 21.529 -16.820 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.868 20.028 -15.998 1.00 0.00 H new ATOM 712 N LEU A 46 -2.235 15.761 -16.762 1.00 0.00 N ATOM 713 CA LEU A 46 -1.552 14.503 -17.051 1.00 0.00 C ATOM 714 C LEU A 46 -1.802 14.066 -18.498 1.00 0.00 C ATOM 715 O LEU A 46 -2.539 13.118 -18.769 1.00 0.00 O ATOM 716 CB LEU A 46 -1.992 13.433 -16.045 1.00 0.00 C ATOM 717 CG LEU A 46 -1.062 13.245 -14.831 1.00 0.00 C ATOM 718 CD1 LEU A 46 -0.176 14.462 -14.614 1.00 0.00 C ATOM 719 CD2 LEU A 46 -1.871 12.958 -13.569 1.00 0.00 C ATOM 0 H LEU A 46 -3.100 15.665 -16.230 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.477 14.646 -16.945 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.988 13.687 -15.682 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.077 12.480 -16.567 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.420 12.390 -15.043 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.467 14.295 -13.750 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.440 14.626 -15.498 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.799 15.339 -14.438 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.194 12.829 -12.724 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.544 13.792 -13.370 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.454 12.048 -13.710 1.00 0.00 H new ATOM 731 N ASP A 47 -1.163 14.791 -19.414 1.00 0.00 N ATOM 732 CA ASP A 47 -1.284 14.560 -20.849 1.00 0.00 C ATOM 733 C ASP A 47 -0.249 13.556 -21.328 1.00 0.00 C ATOM 734 O ASP A 47 0.942 13.703 -21.034 1.00 0.00 O ATOM 735 CB ASP A 47 -1.075 15.872 -21.611 1.00 0.00 C ATOM 736 CG ASP A 47 -2.167 16.887 -21.363 1.00 0.00 C ATOM 737 OD1 ASP A 47 -3.283 16.706 -21.891 1.00 0.00 O1- ATOM 738 OD2 ASP A 47 -1.911 17.877 -20.638 1.00 0.00 O1- ATOM 0 H ASP A 47 -0.540 15.563 -19.176 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.283 14.167 -21.039 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.116 16.303 -21.323 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.021 15.660 -22.679 1.00 0.00 H new ATOM 743 N GLU A 48 -0.709 12.556 -22.077 1.00 0.00 N ATOM 744 CA GLU A 48 0.155 11.537 -22.667 1.00 0.00 C ATOM 745 C GLU A 48 1.094 10.921 -21.638 1.00 0.00 C ATOM 746 O GLU A 48 0.689 10.105 -20.810 1.00 0.00 O ATOM 747 CB GLU A 48 0.986 12.102 -23.829 1.00 0.00 C ATOM 748 CG GLU A 48 0.225 12.282 -25.135 1.00 0.00 C ATOM 749 CD GLU A 48 -0.881 13.309 -25.057 1.00 0.00 C ATOM 750 OE1 GLU A 48 -2.026 12.936 -24.721 1.00 0.00 O ATOM 751 OE2 GLU A 48 -0.615 14.486 -25.351 1.00 0.00 O1- ATOM 0 H GLU A 48 -1.698 12.430 -22.293 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.509 10.761 -23.046 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.395 13.067 -23.528 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.832 11.438 -24.007 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.926 12.575 -25.916 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.201 11.324 -25.432 1.00 0.00 H new ATOM 758 N ASN A 49 2.346 11.340 -21.700 1.00 0.00 N ATOM 759 CA ASN A 49 3.377 10.859 -20.803 1.00 0.00 C ATOM 760 C ASN A 49 4.416 11.944 -20.590 1.00 0.00 C ATOM 761 O ASN A 49 5.554 11.673 -20.218 1.00 0.00 O ATOM 762 CB ASN A 49 4.018 9.591 -21.368 1.00 0.00 C ATOM 763 CG ASN A 49 4.598 9.773 -22.759 1.00 0.00 C ATOM 764 OD1 ASN A 49 3.888 9.660 -23.758 1.00 0.00 O ATOM 765 ND2 ASN A 49 5.893 10.021 -22.837 1.00 0.00 N ATOM 0 H ASN A 49 2.675 12.027 -22.378 1.00 0.00 H new ATOM 0 HA ASN A 49 2.931 10.612 -19.840 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.809 9.262 -20.694 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.271 8.797 -21.395 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.338 10.126 -23.749 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.448 10.108 -21.986 1.00 0.00 H new ATOM 772 N TYR A 50 4.004 13.179 -20.851 1.00 0.00 N ATOM 773 CA TYR A 50 4.852 14.345 -20.626 1.00 0.00 C ATOM 774 C TYR A 50 5.300 14.397 -19.177 1.00 0.00 C ATOM 775 O TYR A 50 4.574 13.960 -18.284 1.00 0.00 O ATOM 776 CB TYR A 50 4.099 15.640 -20.928 1.00 0.00 C ATOM 777 CG TYR A 50 3.422 15.695 -22.277 1.00 0.00 C ATOM 778 CD1 TYR A 50 3.767 14.825 -23.302 1.00 0.00 C ATOM 779 CD2 TYR A 50 2.432 16.634 -22.516 1.00 0.00 C ATOM 780 CE1 TYR A 50 3.137 14.892 -24.533 1.00 0.00 C ATOM 781 CE2 TYR A 50 1.798 16.709 -23.736 1.00 0.00 C ATOM 782 CZ TYR A 50 2.152 15.838 -24.741 1.00 0.00 C ATOM 783 OH TYR A 50 1.519 15.917 -25.959 1.00 0.00 O ATOM 0 H TYR A 50 3.080 13.400 -21.222 1.00 0.00 H new ATOM 0 HA TYR A 50 5.711 14.254 -21.291 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.345 15.791 -20.155 1.00 0.00 H new ATOM 0 HB3 TYR A 50 4.799 16.473 -20.857 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.537 14.086 -23.137 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.152 17.320 -21.730 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.413 14.210 -25.324 1.00 0.00 H new ATOM 0 HE2 TYR A 50 1.027 17.447 -23.903 1.00 0.00 H new ATOM 0 HH TYR A 50 0.780 15.274 -25.986 1.00 0.00 H new ATOM 793 N CYS A 51 6.480 14.938 -18.945 1.00 0.00 N ATOM 794 CA CYS A 51 6.969 15.133 -17.591 1.00 0.00 C ATOM 795 C CYS A 51 6.147 16.194 -16.869 1.00 0.00 C ATOM 796 O CYS A 51 6.490 17.377 -16.874 1.00 0.00 O ATOM 797 CB CYS A 51 8.431 15.548 -17.613 1.00 0.00 C ATOM 798 SG CYS A 51 9.557 14.301 -18.308 1.00 0.00 S ATOM 0 H CYS A 51 7.119 15.251 -19.676 1.00 0.00 H new ATOM 0 HA CYS A 51 6.872 14.188 -17.056 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.526 16.467 -18.191 1.00 0.00 H new ATOM 0 HB3 CYS A 51 8.746 15.777 -16.595 1.00 0.00 H new ATOM 803 N ARG A 52 5.054 15.762 -16.266 1.00 0.00 N ATOM 804 CA ARG A 52 4.197 16.644 -15.496 1.00 0.00 C ATOM 805 C ARG A 52 4.576 16.573 -14.028 1.00 0.00 C ATOM 806 O ARG A 52 5.519 15.876 -13.655 1.00 0.00 O ATOM 807 CB ARG A 52 2.733 16.246 -15.671 1.00 0.00 C ATOM 808 CG ARG A 52 2.191 16.459 -17.079 1.00 0.00 C ATOM 809 CD ARG A 52 2.231 17.925 -17.510 1.00 0.00 C ATOM 810 NE ARG A 52 1.348 18.163 -18.654 1.00 0.00 N ATOM 811 CZ ARG A 52 1.433 19.185 -19.501 1.00 0.00 C ATOM 812 NH1 ARG A 52 2.434 20.047 -19.415 1.00 0.00 N1+ ATOM 813 NH2 ARG A 52 0.506 19.340 -20.442 1.00 0.00 N ATOM 0 H ARG A 52 4.737 14.793 -16.296 1.00 0.00 H new ATOM 0 HA ARG A 52 4.329 17.665 -15.855 1.00 0.00 H new ATOM 0 HB2 ARG A 52 2.620 15.195 -15.406 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.126 16.819 -14.970 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.772 15.862 -17.782 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.164 16.098 -17.127 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.931 18.560 -16.677 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.252 18.203 -17.771 1.00 0.00 H new ATOM 0 HE ARG A 52 0.603 17.486 -18.815 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.147 19.930 -18.695 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.492 20.828 -20.068 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.266 18.677 -20.512 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.567 20.122 -21.094 1.00 0.00 H new ATOM 827 N ASN A 53 3.852 17.294 -13.199 1.00 0.00 N ATOM 828 CA ASN A 53 4.065 17.224 -11.765 1.00 0.00 C ATOM 829 C ASN A 53 2.719 17.131 -11.039 1.00 0.00 C ATOM 830 O ASN A 53 2.271 18.086 -10.407 1.00 0.00 O ATOM 831 CB ASN A 53 4.857 18.443 -11.288 1.00 0.00 C ATOM 832 CG ASN A 53 5.352 18.311 -9.864 1.00 0.00 C ATOM 833 OD1 ASN A 53 4.901 17.451 -9.109 1.00 0.00 O ATOM 834 ND2 ASN A 53 6.279 19.175 -9.489 1.00 0.00 N ATOM 0 H ASN A 53 3.113 17.934 -13.490 1.00 0.00 H new ATOM 0 HA ASN A 53 4.644 16.330 -11.534 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.710 18.596 -11.950 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.229 19.330 -11.367 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.650 19.145 -8.539 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.624 19.872 -10.149 1.00 0.00 H new ATOM 841 N PRO A 54 2.042 15.972 -11.155 1.00 0.00 N ATOM 842 CA PRO A 54 0.744 15.743 -10.510 1.00 0.00 C ATOM 843 C PRO A 54 0.841 15.639 -8.990 1.00 0.00 C ATOM 844 O PRO A 54 0.126 16.333 -8.271 1.00 0.00 O ATOM 845 CB PRO A 54 0.269 14.412 -11.102 1.00 0.00 C ATOM 846 CG PRO A 54 1.504 13.728 -11.581 1.00 0.00 C ATOM 847 CD PRO A 54 2.474 14.814 -11.960 1.00 0.00 C ATOM 0 HA PRO A 54 0.064 16.575 -10.691 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.248 13.811 -10.353 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.433 14.574 -11.920 1.00 0.00 H new ATOM 0 HG2 PRO A 54 1.921 13.090 -10.802 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.286 13.087 -12.435 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.501 14.530 -11.732 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.433 15.032 -13.027 1.00 0.00 H new ATOM 855 N ASP A 55 1.719 14.760 -8.514 1.00 0.00 N ATOM 856 CA ASP A 55 1.889 14.536 -7.078 1.00 0.00 C ATOM 857 C ASP A 55 2.307 15.813 -6.352 1.00 0.00 C ATOM 858 O ASP A 55 1.816 16.110 -5.262 1.00 0.00 O ATOM 859 CB ASP A 55 2.926 13.438 -6.826 1.00 0.00 C ATOM 860 CG ASP A 55 3.096 13.134 -5.352 1.00 0.00 C ATOM 861 OD1 ASP A 55 2.243 12.423 -4.792 1.00 0.00 O1- ATOM 862 OD2 ASP A 55 4.082 13.603 -4.749 1.00 0.00 O1- ATOM 0 H ASP A 55 2.326 14.189 -9.102 1.00 0.00 H new ATOM 0 HA ASP A 55 0.923 14.221 -6.683 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.625 12.530 -7.349 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.885 13.744 -7.244 1.00 0.00 H new ATOM 867 N GLY A 56 3.205 16.570 -6.971 1.00 0.00 N ATOM 868 CA GLY A 56 3.683 17.800 -6.371 1.00 0.00 C ATOM 869 C GLY A 56 5.081 17.659 -5.813 1.00 0.00 C ATOM 870 O GLY A 56 5.285 17.727 -4.601 1.00 0.00 O ATOM 0 H GLY A 56 3.612 16.352 -7.881 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.670 18.595 -7.117 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.004 18.101 -5.573 1.00 0.00 H new ATOM 874 N LYS A 57 6.043 17.444 -6.695 1.00 0.00 N ATOM 875 CA LYS A 57 7.438 17.387 -6.296 1.00 0.00 C ATOM 876 C LYS A 57 8.095 18.730 -6.592 1.00 0.00 C ATOM 877 O LYS A 57 7.410 19.692 -6.928 1.00 0.00 O ATOM 878 CB LYS A 57 8.187 16.269 -7.033 1.00 0.00 C ATOM 879 CG LYS A 57 7.426 14.950 -7.128 1.00 0.00 C ATOM 880 CD LYS A 57 6.926 14.453 -5.780 1.00 0.00 C ATOM 881 CE LYS A 57 8.051 14.206 -4.788 1.00 0.00 C ATOM 882 NZ LYS A 57 7.532 13.619 -3.524 1.00 0.00 N1+ ATOM 0 H LYS A 57 5.882 17.306 -7.693 1.00 0.00 H new ATOM 0 HA LYS A 57 7.485 17.171 -5.229 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.423 16.611 -8.041 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.136 16.090 -6.527 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.577 15.074 -7.801 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.075 14.194 -7.570 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.234 15.184 -5.362 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.365 13.529 -5.924 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.788 13.534 -5.229 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.563 15.144 -4.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.321 13.461 -2.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.847 14.272 -3.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.065 12.713 -3.728 1.00 0.00 H new ATOM 896 N ARG A 59 9.410 18.791 -6.492 1.00 0.00 N ATOM 897 CA ARG A 59 10.139 20.030 -6.733 1.00 0.00 C ATOM 898 C ARG A 59 10.434 20.220 -8.219 1.00 0.00 C ATOM 899 O ARG A 59 10.843 21.298 -8.650 1.00 0.00 O ATOM 900 CB ARG A 59 11.443 20.004 -5.949 1.00 0.00 C ATOM 901 CG ARG A 59 12.358 18.866 -6.362 1.00 0.00 C ATOM 902 CD ARG A 59 13.411 18.606 -5.305 1.00 0.00 C ATOM 903 NE ARG A 59 12.817 18.233 -4.021 1.00 0.00 N ATOM 904 CZ ARG A 59 13.521 17.811 -2.974 1.00 0.00 C ATOM 905 NH1 ARG A 59 14.847 17.725 -3.049 1.00 0.00 N1+ ATOM 906 NH2 ARG A 59 12.899 17.481 -1.851 1.00 0.00 N ATOM 0 H ARG A 59 10.000 17.996 -6.245 1.00 0.00 H new ATOM 0 HA ARG A 59 9.521 20.865 -6.404 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.964 20.951 -6.089 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.220 19.917 -4.886 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.770 17.963 -6.525 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.840 19.108 -7.309 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.075 17.810 -5.642 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.023 19.498 -5.176 1.00 0.00 H new ATOM 0 HE ARG A 59 11.804 18.300 -3.923 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.327 17.983 -3.911 1.00 0.00 H new ATOM 0 HH12 ARG A 59 15.383 17.401 -2.244 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.883 17.551 -1.791 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.436 17.157 -1.047 1.00 0.00 H new ATOM 920 N ALA A 60 10.229 19.163 -8.990 1.00 0.00 N ATOM 921 CA ALA A 60 10.527 19.182 -10.414 1.00 0.00 C ATOM 922 C ALA A 60 9.631 18.198 -11.155 1.00 0.00 C ATOM 923 O ALA A 60 9.046 17.308 -10.533 1.00 0.00 O ATOM 924 CB ALA A 60 11.998 18.844 -10.641 1.00 0.00 C ATOM 0 H ALA A 60 9.855 18.277 -8.651 1.00 0.00 H new ATOM 0 HA ALA A 60 10.333 20.181 -10.804 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.214 18.860 -11.709 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.623 19.579 -10.133 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.209 17.851 -10.243 1.00 0.00 H new ATOM 930 N PRO A 61 9.497 18.360 -12.486 1.00 0.00 N ATOM 931 CA PRO A 61 8.723 17.448 -13.333 1.00 0.00 C ATOM 932 C PRO A 61 9.187 16.016 -13.174 1.00 0.00 C ATOM 933 O PRO A 61 10.391 15.745 -13.140 1.00 0.00 O ATOM 934 CB PRO A 61 9.020 17.935 -14.753 1.00 0.00 C ATOM 935 CG PRO A 61 9.365 19.362 -14.584 1.00 0.00 C ATOM 936 CD PRO A 61 10.087 19.453 -13.273 1.00 0.00 C ATOM 0 HA PRO A 61 7.663 17.454 -13.080 1.00 0.00 H new ATOM 0 HB2 PRO A 61 9.842 17.377 -15.201 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.156 17.809 -15.406 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.994 19.712 -15.402 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.470 19.984 -14.582 1.00 0.00 H new ATOM 0 HD2 PRO A 61 11.162 19.325 -13.396 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.934 20.421 -12.796 1.00 0.00 H new ATOM 944 N TRP A 62 8.243 15.104 -13.082 1.00 0.00 N ATOM 945 CA TRP A 62 8.572 13.714 -12.884 1.00 0.00 C ATOM 946 C TRP A 62 7.599 12.829 -13.638 1.00 0.00 C ATOM 947 O TRP A 62 6.531 13.279 -14.048 1.00 0.00 O ATOM 948 CB TRP A 62 8.570 13.372 -11.393 1.00 0.00 C ATOM 949 CG TRP A 62 7.217 13.401 -10.750 1.00 0.00 C ATOM 950 CD1 TRP A 62 6.561 14.486 -10.249 1.00 0.00 C ATOM 951 CD2 TRP A 62 6.364 12.278 -10.530 1.00 0.00 C ATOM 952 NE1 TRP A 62 5.354 14.099 -9.712 1.00 0.00 N ATOM 953 CE2 TRP A 62 5.210 12.744 -9.875 1.00 0.00 C ATOM 954 CE3 TRP A 62 6.474 10.921 -10.821 1.00 0.00 C ATOM 955 CZ2 TRP A 62 4.172 11.888 -9.507 1.00 0.00 C ATOM 956 CZ3 TRP A 62 5.447 10.080 -10.458 1.00 0.00 C ATOM 957 CH2 TRP A 62 4.310 10.566 -9.803 1.00 0.00 C ATOM 0 H TRP A 62 7.244 15.302 -13.141 1.00 0.00 H new ATOM 0 HA TRP A 62 9.573 13.534 -13.275 1.00 0.00 H new ATOM 0 HB2 TRP A 62 9.000 12.379 -11.260 1.00 0.00 H new ATOM 0 HB3 TRP A 62 9.221 14.074 -10.871 1.00 0.00 H new ATOM 0 HD1 TRP A 62 6.933 15.500 -10.270 1.00 0.00 H new ATOM 0 HE1 TRP A 62 4.677 14.718 -9.266 1.00 0.00 H new ATOM 0 HE3 TRP A 62 7.349 10.535 -11.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 3.291 12.260 -9.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 5.520 9.026 -10.683 1.00 0.00 H new ATOM 0 HH2 TRP A 62 3.525 9.878 -9.526 1.00 0.00 H new ATOM 968 N CYS A 63 7.968 11.578 -13.827 1.00 0.00 N ATOM 969 CA CYS A 63 7.110 10.642 -14.523 1.00 0.00 C ATOM 970 C CYS A 63 7.422 9.221 -14.077 1.00 0.00 C ATOM 971 O CYS A 63 8.260 9.004 -13.204 1.00 0.00 O ATOM 972 CB CYS A 63 7.296 10.781 -16.039 1.00 0.00 C ATOM 973 SG CYS A 63 8.816 10.006 -16.672 1.00 0.00 S ATOM 0 H CYS A 63 8.855 11.187 -13.509 1.00 0.00 H new ATOM 0 HA CYS A 63 6.071 10.865 -14.280 1.00 0.00 H new ATOM 0 HB2 CYS A 63 6.437 10.337 -16.542 1.00 0.00 H new ATOM 0 HB3 CYS A 63 7.305 11.840 -16.298 1.00 0.00 H new ATOM 978 N HIS A 64 6.729 8.258 -14.662 1.00 0.00 N ATOM 979 CA HIS A 64 6.940 6.858 -14.340 1.00 0.00 C ATOM 980 C HIS A 64 7.685 6.198 -15.477 1.00 0.00 C ATOM 981 O HIS A 64 7.297 6.339 -16.627 1.00 0.00 O ATOM 982 CB HIS A 64 5.596 6.160 -14.104 1.00 0.00 C ATOM 983 CG HIS A 64 4.839 6.738 -12.954 1.00 0.00 C ATOM 984 ND1 HIS A 64 3.859 7.700 -13.102 1.00 0.00 N ATOM 985 CD2 HIS A 64 4.929 6.497 -11.627 1.00 0.00 C ATOM 986 CE1 HIS A 64 3.384 8.026 -11.914 1.00 0.00 C ATOM 987 NE2 HIS A 64 4.016 7.307 -11.003 1.00 0.00 N ATOM 0 H HIS A 64 6.011 8.423 -15.367 1.00 0.00 H new ATOM 0 HA HIS A 64 7.529 6.778 -13.427 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.990 6.234 -15.007 1.00 0.00 H new ATOM 0 HB3 HIS A 64 5.769 5.099 -13.923 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.596 5.796 -11.147 1.00 0.00 H new ATOM 0 HE1 HIS A 64 2.611 8.755 -11.720 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.851 7.348 -9.997 1.00 0.00 H new ATOM 996 N THR A 65 8.759 5.500 -15.165 1.00 0.00 N ATOM 997 CA THR A 65 9.574 4.896 -16.200 1.00 0.00 C ATOM 998 C THR A 65 8.887 3.658 -16.756 1.00 0.00 C ATOM 999 O THR A 65 8.160 2.958 -16.043 1.00 0.00 O ATOM 1000 CB THR A 65 10.979 4.516 -15.675 1.00 0.00 C ATOM 1001 OG1 THR A 65 10.932 3.263 -14.992 1.00 0.00 O ATOM 1002 CG2 THR A 65 11.508 5.583 -14.727 1.00 0.00 C ATOM 0 H THR A 65 9.085 5.338 -14.212 1.00 0.00 H new ATOM 0 HA THR A 65 9.696 5.635 -16.991 1.00 0.00 H new ATOM 0 HB THR A 65 11.647 4.438 -16.533 1.00 0.00 H new ATOM 0 HG1 THR A 65 10.656 3.407 -14.063 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.497 5.295 -14.370 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.575 6.536 -15.252 1.00 0.00 H new ATOM 0 HG23 THR A 65 10.831 5.684 -13.878 1.00 0.00 H new ATOM 1010 N THR A 66 9.087 3.421 -18.039 1.00 0.00 N ATOM 1011 CA THR A 66 8.635 2.202 -18.685 1.00 0.00 C ATOM 1012 C THR A 66 9.535 1.015 -18.335 1.00 0.00 C ATOM 1013 O THR A 66 9.505 -0.020 -19.002 1.00 0.00 O ATOM 1014 CB THR A 66 8.609 2.394 -20.207 1.00 0.00 C ATOM 1015 OG1 THR A 66 9.812 3.052 -20.628 1.00 0.00 O ATOM 1016 CG2 THR A 66 7.399 3.212 -20.621 1.00 0.00 C ATOM 0 H THR A 66 9.568 4.068 -18.664 1.00 0.00 H new ATOM 0 HA THR A 66 7.630 1.987 -18.323 1.00 0.00 H new ATOM 0 HB THR A 66 8.543 1.416 -20.684 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.222 2.546 -21.360 1.00 0.00 H new ATOM 0 HG21 THR A 66 7.398 3.338 -21.704 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.489 2.696 -20.315 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.440 4.190 -20.142 1.00 0.00 H new ATOM 1024 N ASN A 67 10.321 1.172 -17.279 1.00 0.00 N ATOM 1025 CA ASN A 67 11.253 0.142 -16.847 1.00 0.00 C ATOM 1026 C ASN A 67 10.822 -0.411 -15.498 1.00 0.00 C ATOM 1027 O ASN A 67 10.235 0.299 -14.690 1.00 0.00 O ATOM 1028 CB ASN A 67 12.672 0.716 -16.726 1.00 0.00 C ATOM 1029 CG ASN A 67 13.243 1.189 -18.051 1.00 0.00 C ATOM 1030 OD1 ASN A 67 13.901 0.429 -18.757 1.00 0.00 O ATOM 1031 ND2 ASN A 67 13.011 2.452 -18.392 1.00 0.00 N ATOM 0 H ASN A 67 10.330 2.012 -16.701 1.00 0.00 H new ATOM 0 HA ASN A 67 11.253 -0.655 -17.590 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.660 1.550 -16.025 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.330 -0.045 -16.306 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.384 2.821 -19.267 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.460 3.053 -17.779 1.00 0.00 H new ATOM 1038 N SER A 68 11.122 -1.674 -15.255 1.00 0.00 N ATOM 1039 CA SER A 68 10.841 -2.293 -13.968 1.00 0.00 C ATOM 1040 C SER A 68 12.085 -2.208 -13.088 1.00 0.00 C ATOM 1041 O SER A 68 12.133 -2.746 -11.979 1.00 0.00 O ATOM 1042 CB SER A 68 10.421 -3.751 -14.168 1.00 0.00 C ATOM 1043 OG SER A 68 9.303 -3.843 -15.040 1.00 0.00 O ATOM 0 H SER A 68 11.562 -2.295 -15.934 1.00 0.00 H new ATOM 0 HA SER A 68 10.022 -1.766 -13.479 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.255 -4.321 -14.578 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.173 -4.197 -13.205 1.00 0.00 H new ATOM 0 HG SER A 68 9.054 -4.784 -15.154 1.00 0.00 H new ATOM 1049 N GLN A 69 13.089 -1.517 -13.613 1.00 0.00 N ATOM 1050 CA GLN A 69 14.359 -1.343 -12.932 1.00 0.00 C ATOM 1051 C GLN A 69 14.277 -0.183 -11.946 1.00 0.00 C ATOM 1052 O GLN A 69 15.032 -0.119 -10.976 1.00 0.00 O ATOM 1053 CB GLN A 69 15.458 -1.069 -13.961 1.00 0.00 C ATOM 1054 CG GLN A 69 15.448 -2.039 -15.130 1.00 0.00 C ATOM 1055 CD GLN A 69 16.572 -1.786 -16.112 1.00 0.00 C ATOM 1056 OE1 GLN A 69 17.676 -2.310 -15.956 1.00 0.00 O ATOM 1057 NE2 GLN A 69 16.295 -1.000 -17.142 1.00 0.00 N ATOM 0 H GLN A 69 13.042 -1.062 -14.525 1.00 0.00 H new ATOM 0 HA GLN A 69 14.593 -2.254 -12.382 1.00 0.00 H new ATOM 0 HB2 GLN A 69 15.345 -0.054 -14.341 1.00 0.00 H new ATOM 0 HB3 GLN A 69 16.428 -1.118 -13.467 1.00 0.00 H new ATOM 0 HG2 GLN A 69 15.525 -3.058 -14.751 1.00 0.00 H new ATOM 0 HG3 GLN A 69 14.493 -1.964 -15.650 1.00 0.00 H new ATOM 0 HE21 GLN A 69 15.367 -0.586 -17.233 1.00 0.00 H new ATOM 0 HE22 GLN A 69 17.010 -0.809 -17.844 1.00 0.00 H new ATOM 1066 N VAL A 70 13.365 0.738 -12.228 1.00 0.00 N ATOM 1067 CA VAL A 70 13.160 1.919 -11.410 1.00 0.00 C ATOM 1068 C VAL A 70 11.701 2.360 -11.500 1.00 0.00 C ATOM 1069 O VAL A 70 11.055 2.151 -12.523 1.00 0.00 O ATOM 1070 CB VAL A 70 14.087 3.056 -11.881 1.00 0.00 C ATOM 1071 CG1 VAL A 70 13.844 3.383 -13.340 1.00 0.00 C ATOM 1072 CG2 VAL A 70 13.926 4.296 -11.019 1.00 0.00 C ATOM 0 H VAL A 70 12.745 0.683 -13.036 1.00 0.00 H new ATOM 0 HA VAL A 70 13.398 1.681 -10.373 1.00 0.00 H new ATOM 0 HB VAL A 70 15.114 2.708 -11.775 1.00 0.00 H new ATOM 0 HG11 VAL A 70 14.511 4.189 -13.648 1.00 0.00 H new ATOM 0 HG12 VAL A 70 14.037 2.499 -13.948 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.809 3.697 -13.475 1.00 0.00 H new ATOM 0 HG21 VAL A 70 14.594 5.078 -11.379 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.895 4.646 -11.074 1.00 0.00 H new ATOM 0 HG23 VAL A 70 14.173 4.055 -9.985 1.00 0.00 H new ATOM 1082 N ARG A 71 11.179 2.949 -10.436 1.00 0.00 N ATOM 1083 CA ARG A 71 9.795 3.392 -10.426 1.00 0.00 C ATOM 1084 C ARG A 71 9.639 4.727 -11.164 1.00 0.00 C ATOM 1085 O ARG A 71 9.487 4.755 -12.390 1.00 0.00 O ATOM 1086 CB ARG A 71 9.274 3.494 -8.988 1.00 0.00 C ATOM 1087 CG ARG A 71 7.820 3.921 -8.878 1.00 0.00 C ATOM 1088 CD ARG A 71 7.327 3.884 -7.436 1.00 0.00 C ATOM 1089 NE ARG A 71 8.082 4.771 -6.544 1.00 0.00 N ATOM 1090 CZ ARG A 71 7.565 5.324 -5.445 1.00 0.00 C ATOM 1091 NH1 ARG A 71 6.275 5.176 -5.166 1.00 0.00 N1+ ATOM 1092 NH2 ARG A 71 8.330 6.040 -4.631 1.00 0.00 N ATOM 0 H ARG A 71 11.690 3.131 -9.572 1.00 0.00 H new ATOM 0 HA ARG A 71 9.196 2.650 -10.954 1.00 0.00 H new ATOM 0 HB2 ARG A 71 9.394 2.526 -8.501 1.00 0.00 H new ATOM 0 HB3 ARG A 71 9.892 4.205 -8.440 1.00 0.00 H new ATOM 0 HG2 ARG A 71 7.706 4.930 -9.275 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.201 3.265 -9.491 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.274 4.165 -7.411 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.393 2.862 -7.062 1.00 0.00 H new ATOM 0 HE ARG A 71 9.054 4.976 -6.776 1.00 0.00 H new ATOM 0 HH11 ARG A 71 5.676 4.638 -5.793 1.00 0.00 H new ATOM 0 HH12 ARG A 71 5.883 5.600 -4.325 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.319 6.170 -4.844 1.00 0.00 H new ATOM 0 HH22 ARG A 71 7.929 6.460 -3.793 1.00 0.00 H new ATOM 1106 N TRP A 72 9.636 5.823 -10.420 1.00 0.00 N ATOM 1107 CA TRP A 72 9.502 7.143 -11.013 1.00 0.00 C ATOM 1108 C TRP A 72 10.870 7.794 -11.233 1.00 0.00 C ATOM 1109 O TRP A 72 11.872 7.360 -10.664 1.00 0.00 O ATOM 1110 CB TRP A 72 8.594 8.030 -10.158 1.00 0.00 C ATOM 1111 CG TRP A 72 9.163 8.392 -8.827 1.00 0.00 C ATOM 1112 CD1 TRP A 72 9.369 7.564 -7.767 1.00 0.00 C ATOM 1113 CD2 TRP A 72 9.574 9.692 -8.412 1.00 0.00 C ATOM 1114 NE1 TRP A 72 9.898 8.266 -6.717 1.00 0.00 N ATOM 1115 CE2 TRP A 72 10.031 9.580 -7.087 1.00 0.00 C ATOM 1116 CE3 TRP A 72 9.603 10.939 -9.037 1.00 0.00 C ATOM 1117 CZ2 TRP A 72 10.511 10.676 -6.375 1.00 0.00 C ATOM 1118 CZ3 TRP A 72 10.077 12.024 -8.331 1.00 0.00 C ATOM 1119 CH2 TRP A 72 10.525 11.890 -7.012 1.00 0.00 C ATOM 0 H TRP A 72 9.725 5.823 -9.404 1.00 0.00 H new ATOM 0 HA TRP A 72 9.035 7.028 -11.991 1.00 0.00 H new ATOM 0 HB2 TRP A 72 8.378 8.946 -10.708 1.00 0.00 H new ATOM 0 HB3 TRP A 72 7.644 7.518 -10.006 1.00 0.00 H new ATOM 0 HD1 TRP A 72 9.148 6.507 -7.755 1.00 0.00 H new ATOM 0 HE1 TRP A 72 10.151 7.876 -5.809 1.00 0.00 H new ATOM 0 HE3 TRP A 72 9.260 11.052 -10.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 10.860 10.574 -5.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 10.103 12.995 -8.804 1.00 0.00 H new ATOM 0 HH2 TRP A 72 10.889 12.760 -6.486 1.00 0.00 H new ATOM 1130 N GLU A 73 10.892 8.842 -12.048 1.00 0.00 N ATOM 1131 CA GLU A 73 12.115 9.572 -12.364 1.00 0.00 C ATOM 1132 C GLU A 73 11.796 11.043 -12.613 1.00 0.00 C ATOM 1133 O GLU A 73 10.693 11.374 -13.047 1.00 0.00 O ATOM 1134 CB GLU A 73 12.767 8.971 -13.607 1.00 0.00 C ATOM 1135 CG GLU A 73 13.718 7.828 -13.334 1.00 0.00 C ATOM 1136 CD GLU A 73 15.142 8.294 -13.136 1.00 0.00 C ATOM 1137 OE1 GLU A 73 15.866 8.424 -14.145 1.00 0.00 O1- ATOM 1138 OE2 GLU A 73 15.548 8.526 -11.978 1.00 0.00 O1- ATOM 0 H GLU A 73 10.061 9.211 -12.510 1.00 0.00 H new ATOM 0 HA GLU A 73 12.802 9.494 -11.521 1.00 0.00 H new ATOM 0 HB2 GLU A 73 11.983 8.620 -14.278 1.00 0.00 H new ATOM 0 HB3 GLU A 73 13.308 9.758 -14.133 1.00 0.00 H new ATOM 0 HG2 GLU A 73 13.388 7.290 -12.445 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.682 7.123 -14.165 1.00 0.00 H new ATOM 1145 N TYR A 74 12.758 11.914 -12.326 1.00 0.00 N ATOM 1146 CA TYR A 74 12.620 13.340 -12.603 1.00 0.00 C ATOM 1147 C TYR A 74 12.957 13.634 -14.057 1.00 0.00 C ATOM 1148 O TYR A 74 13.474 12.773 -14.770 1.00 0.00 O ATOM 1149 CB TYR A 74 13.559 14.167 -11.720 1.00 0.00 C ATOM 1150 CG TYR A 74 13.126 14.325 -10.282 1.00 0.00 C ATOM 1151 CD1 TYR A 74 12.017 15.091 -9.950 1.00 0.00 C ATOM 1152 CD2 TYR A 74 13.852 13.738 -9.254 1.00 0.00 C ATOM 1153 CE1 TYR A 74 11.643 15.270 -8.630 1.00 0.00 C ATOM 1154 CE2 TYR A 74 13.481 13.905 -7.935 1.00 0.00 C ATOM 1155 CZ TYR A 74 12.378 14.674 -7.628 1.00 0.00 C ATOM 1156 OH TYR A 74 12.019 14.859 -6.312 1.00 0.00 O ATOM 0 H TYR A 74 13.647 11.655 -11.899 1.00 0.00 H new ATOM 0 HA TYR A 74 11.586 13.612 -12.392 1.00 0.00 H new ATOM 0 HB2 TYR A 74 14.546 13.704 -11.736 1.00 0.00 H new ATOM 0 HB3 TYR A 74 13.665 15.158 -12.161 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.437 15.555 -10.734 1.00 0.00 H new ATOM 0 HD2 TYR A 74 14.721 13.141 -9.490 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.781 15.873 -8.386 1.00 0.00 H new ATOM 0 HE2 TYR A 74 14.052 13.436 -7.147 1.00 0.00 H new ATOM 0 HH TYR A 74 12.639 14.370 -5.732 1.00 0.00 H new ATOM 1166 N CYS A 75 12.681 14.856 -14.484 1.00 0.00 N ATOM 1167 CA CYS A 75 13.061 15.306 -15.817 1.00 0.00 C ATOM 1168 C CYS A 75 13.711 16.682 -15.738 1.00 0.00 C ATOM 1169 O CYS A 75 13.210 17.579 -15.056 1.00 0.00 O ATOM 1170 CB CYS A 75 11.850 15.384 -16.739 1.00 0.00 C ATOM 1171 SG CYS A 75 10.785 13.913 -16.748 1.00 0.00 S ATOM 0 H CYS A 75 12.194 15.557 -13.926 1.00 0.00 H new ATOM 0 HA CYS A 75 13.767 14.581 -16.223 1.00 0.00 H new ATOM 0 HB2 CYS A 75 11.249 16.246 -16.450 1.00 0.00 H new ATOM 0 HB3 CYS A 75 12.199 15.566 -17.755 1.00 0.00 H new ATOM 1176 N LYS A 76 14.808 16.862 -16.449 1.00 0.00 N ATOM 1177 CA LYS A 76 15.535 18.116 -16.394 1.00 0.00 C ATOM 1178 C LYS A 76 15.041 19.075 -17.468 1.00 0.00 C ATOM 1179 O LYS A 76 15.531 19.073 -18.597 1.00 0.00 O ATOM 1180 CB LYS A 76 17.039 17.874 -16.531 1.00 0.00 C ATOM 1181 CG LYS A 76 17.865 19.148 -16.484 1.00 0.00 C ATOM 1182 CD LYS A 76 19.347 18.842 -16.390 1.00 0.00 C ATOM 1183 CE LYS A 76 19.712 18.268 -15.029 1.00 0.00 C ATOM 1184 NZ LYS A 76 19.459 19.236 -13.929 1.00 0.00 N1+ ATOM 0 H LYS A 76 15.214 16.160 -17.068 1.00 0.00 H new ATOM 0 HA LYS A 76 15.351 18.574 -15.422 1.00 0.00 H new ATOM 0 HB2 LYS A 76 17.366 17.209 -15.732 1.00 0.00 H new ATOM 0 HB3 LYS A 76 17.232 17.360 -17.473 1.00 0.00 H new ATOM 0 HG2 LYS A 76 17.670 19.743 -17.376 1.00 0.00 H new ATOM 0 HG3 LYS A 76 17.561 19.749 -15.627 1.00 0.00 H new ATOM 0 HD2 LYS A 76 19.624 18.134 -17.171 1.00 0.00 H new ATOM 0 HD3 LYS A 76 19.920 19.752 -16.568 1.00 0.00 H new ATOM 0 HE2 LYS A 76 19.136 17.360 -14.852 1.00 0.00 H new ATOM 0 HE3 LYS A 76 20.764 17.983 -15.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 20.310 19.319 -13.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 19.225 20.166 -14.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 18.665 18.901 -13.347 1.00 0.00 H new ATOM 1198 N ILE A 77 14.037 19.864 -17.118 1.00 0.00 N ATOM 1199 CA ILE A 77 13.544 20.914 -18.002 1.00 0.00 C ATOM 1200 C ILE A 77 14.410 22.163 -17.790 1.00 0.00 C ATOM 1201 O ILE A 77 14.975 22.322 -16.705 1.00 0.00 O ATOM 1202 CB ILE A 77 12.052 21.242 -17.695 1.00 0.00 C ATOM 1203 CG1 ILE A 77 11.215 19.963 -17.553 1.00 0.00 C ATOM 1204 CG2 ILE A 77 11.441 22.142 -18.760 1.00 0.00 C ATOM 1205 CD1 ILE A 77 11.355 18.978 -18.694 1.00 0.00 C ATOM 0 H ILE A 77 13.545 19.799 -16.227 1.00 0.00 H new ATOM 0 HA ILE A 77 13.605 20.579 -19.037 1.00 0.00 H new ATOM 0 HB ILE A 77 12.039 21.776 -16.745 1.00 0.00 H new ATOM 0 HG12 ILE A 77 11.496 19.464 -16.625 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.165 20.242 -17.460 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.400 22.347 -18.509 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.995 23.080 -18.806 1.00 0.00 H new ATOM 0 HG23 ILE A 77 11.490 21.644 -19.729 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.727 18.108 -18.503 1.00 0.00 H new ATOM 0 HD12 ILE A 77 11.044 19.453 -19.625 1.00 0.00 H new ATOM 0 HD13 ILE A 77 12.395 18.663 -18.777 1.00 0.00 H new ATOM 1217 N PRO A 78 14.579 23.050 -18.802 1.00 0.00 N ATOM 1218 CA PRO A 78 15.292 24.321 -18.615 1.00 0.00 C ATOM 1219 C PRO A 78 14.590 25.185 -17.579 1.00 0.00 C ATOM 1220 O PRO A 78 13.650 24.741 -16.942 1.00 0.00 O ATOM 1221 CB PRO A 78 15.234 24.982 -19.993 1.00 0.00 C ATOM 1222 CG PRO A 78 14.994 23.861 -20.936 1.00 0.00 C ATOM 1223 CD PRO A 78 14.118 22.900 -20.191 1.00 0.00 C ATOM 0 HA PRO A 78 16.312 24.181 -18.256 1.00 0.00 H new ATOM 0 HB2 PRO A 78 14.435 25.721 -20.045 1.00 0.00 H new ATOM 0 HB3 PRO A 78 16.164 25.501 -20.223 1.00 0.00 H new ATOM 0 HG2 PRO A 78 14.509 24.210 -21.847 1.00 0.00 H new ATOM 0 HG3 PRO A 78 15.931 23.390 -21.234 1.00 0.00 H new ATOM 0 HD2 PRO A 78 13.062 23.150 -20.296 1.00 0.00 H new ATOM 0 HD3 PRO A 78 14.241 21.878 -20.550 1.00 0.00 H new