USER MOD reduce.3.24.130724 H: found=0, std=0, add=533, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 533 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: 1 68 ASN :FLIP amide:sc= -1.71 F(o=-7.4!,f=-6) USER MOD Set 1.2: 1 83 HIS :FLIP+bothHN:sc= -4.34! C(o=-9.3!,f=-6!) USER MOD Set 2.1: 1 37 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: 1 40 SER OG : rot 7:sc= -0.573 USER MOD Set 3.1: 1 33 THR OG1 : rot -34:sc= 0.0418 USER MOD Set 3.2: 1 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 7 ASN : amide:sc= -1.21 K(o=-1.2,f=-1.8) USER MOD Single : 1 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 12 GLN : amide:sc= -2.44 K(o=-2.4,f=-4.1!) USER MOD Single : 1 20 SER OG : rot 180:sc= 0 USER MOD Single : 1 23 ASN :FLIP amide:sc= 0.257 F(o=-0.63,f=0.26) USER MOD Single : 1 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 30 ASN :FLIP amide:sc= -0.615 F(o=-4.9!,f=-0.62) USER MOD Single : 1 41 GLN : amide:sc= -0.239 X(o=-0.24,f=0) USER MOD Single : 1 43 ASN : amide:sc= -7 K(o=-7,f=-7.5!) USER MOD Single : 1 44 TYR OH : rot 180:sc= 0 USER MOD Single : 1 50 GLN : amide:sc= -0.0304 X(o=-0.03,f=0) USER MOD Single : 1 54 LYS NZ :NH3+ 179:sc= 1.14 (180deg=1.12) USER MOD Single : 1 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 58 THR OG1 : rot 75:sc= 0.737 USER MOD Single : 1 71 TYR OH : rot 180:sc= 0 USER MOD Single : 1 73 THR OG1 : rot -160:sc= -2.55 USER MOD Single : 1 75 LYS NZ :NH3+ 149:sc= -0.376 (180deg=-1.35!) USER MOD Single : 1 76 SER OG : rot 9:sc= 1.16 USER MOD Single : 1 77 SER OG : rot 180:sc= 0.0792 USER MOD Single : 1 82 ASN : amide:sc=-0.00648 K(o=-0.0065,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 28 N PRO 1 3 15.744 0.969 -7.414 1.00 0.00 N ATOM 29 CA PRO 1 3 15.150 1.999 -6.582 1.00 0.00 C ATOM 30 C PRO 1 3 15.423 3.399 -7.115 1.00 0.00 C ATOM 31 O PRO 1 3 16.429 4.018 -6.770 1.00 0.00 O ATOM 32 CB PRO 1 3 15.857 1.786 -5.245 1.00 0.00 C ATOM 33 CG PRO 1 3 17.194 1.196 -5.584 1.00 0.00 C ATOM 34 CD PRO 1 3 17.133 0.714 -7.017 1.00 0.00 C ATOM 0 HA PRO 1 3 14.064 1.926 -6.532 1.00 0.00 H new ATOM 0 HB2 PRO 1 3 15.969 2.727 -4.707 1.00 0.00 H new ATOM 0 HB3 PRO 1 3 15.285 1.117 -4.602 1.00 0.00 H new ATOM 0 HG2 PRO 1 3 17.982 1.939 -5.464 1.00 0.00 H new ATOM 0 HG3 PRO 1 3 17.429 0.370 -4.912 1.00 0.00 H new ATOM 0 HD2 PRO 1 3 17.836 1.255 -7.651 1.00 0.00 H new ATOM 0 HD3 PRO 1 3 17.383 -0.344 -7.094 1.00 0.00 H new ATOM 42 N VAL 1 4 14.520 3.899 -7.955 1.00 0.00 N ATOM 43 CA VAL 1 4 14.668 5.232 -8.524 1.00 0.00 C ATOM 44 C VAL 1 4 13.489 6.128 -8.150 1.00 0.00 C ATOM 45 O VAL 1 4 12.378 5.944 -8.646 1.00 0.00 O ATOM 46 CB VAL 1 4 14.794 5.177 -10.060 1.00 0.00 C ATOM 47 CG1 VAL 1 4 16.257 5.119 -10.473 1.00 0.00 C ATOM 48 CG2 VAL 1 4 14.028 3.986 -10.623 1.00 0.00 C ATOM 0 H VAL 1 4 13.681 3.402 -8.255 1.00 0.00 H new ATOM 0 HA VAL 1 4 15.583 5.653 -8.107 1.00 0.00 H new ATOM 0 HB VAL 1 4 14.356 6.086 -10.472 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 16.327 5.081 -11.560 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 16.774 6.006 -10.107 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 16.720 4.228 -10.048 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 14.131 3.967 -11.708 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 14.431 3.064 -10.204 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 12.974 4.074 -10.360 1.00 0.00 H new ATOM 58 N CYS 1 5 13.743 7.110 -7.288 1.00 0.00 N ATOM 59 CA CYS 1 5 12.703 8.044 -6.870 1.00 0.00 C ATOM 60 C CYS 1 5 12.557 9.130 -7.929 1.00 0.00 C ATOM 61 O CYS 1 5 13.391 10.028 -8.036 1.00 0.00 O ATOM 62 CB CYS 1 5 13.045 8.653 -5.501 1.00 0.00 C ATOM 63 SG CYS 1 5 12.159 10.199 -5.093 1.00 0.00 S ATOM 0 H CYS 1 5 14.657 7.278 -6.867 1.00 0.00 H new ATOM 0 HA CYS 1 5 11.756 7.515 -6.768 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 12.829 7.915 -4.729 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 14.117 8.847 -5.465 1.00 0.00 H new ATOM 68 N GLY 1 6 11.513 9.010 -8.732 1.00 0.00 N ATOM 69 CA GLY 1 6 11.285 9.949 -9.810 1.00 0.00 C ATOM 70 C GLY 1 6 11.450 9.265 -11.149 1.00 0.00 C ATOM 71 O GLY 1 6 11.824 9.886 -12.144 1.00 0.00 O ATOM 0 H GLY 1 6 10.813 8.272 -8.656 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 10.282 10.368 -9.730 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 11.985 10.781 -9.731 1.00 0.00 H new ATOM 75 N ASN 1 7 11.167 7.967 -11.154 1.00 0.00 N ATOM 76 CA ASN 1 7 11.269 7.140 -12.343 1.00 0.00 C ATOM 77 C ASN 1 7 9.976 6.360 -12.534 1.00 0.00 C ATOM 78 O ASN 1 7 9.891 5.465 -13.375 1.00 0.00 O ATOM 79 CB ASN 1 7 12.442 6.168 -12.194 1.00 0.00 C ATOM 80 CG ASN 1 7 12.624 5.286 -13.414 1.00 0.00 C ATOM 81 OD1 ASN 1 7 12.220 4.123 -13.420 1.00 0.00 O ATOM 82 ND2 ASN 1 7 13.235 5.836 -14.457 1.00 0.00 N ATOM 0 H ASN 1 7 10.858 7.459 -10.325 1.00 0.00 H new ATOM 0 HA ASN 1 7 11.438 7.775 -13.212 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 13.358 6.733 -12.018 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 12.281 5.541 -11.317 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 13.385 5.291 -15.306 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 13.554 6.804 -14.409 1.00 0.00 H new ATOM 89 N LYS 1 8 8.975 6.700 -11.725 1.00 0.00 N ATOM 90 CA LYS 1 8 7.687 6.033 -11.770 1.00 0.00 C ATOM 91 C LYS 1 8 7.789 4.644 -11.153 1.00 0.00 C ATOM 92 O LYS 1 8 6.963 3.772 -11.422 1.00 0.00 O ATOM 93 CB LYS 1 8 7.169 5.938 -13.208 1.00 0.00 C ATOM 94 CG LYS 1 8 5.653 5.953 -13.311 1.00 0.00 C ATOM 95 CD LYS 1 8 5.168 5.152 -14.508 1.00 0.00 C ATOM 96 CE LYS 1 8 4.912 3.700 -14.140 1.00 0.00 C ATOM 97 NZ LYS 1 8 5.241 2.776 -15.260 1.00 0.00 N ATOM 0 H LYS 1 8 9.038 7.441 -11.027 1.00 0.00 H new ATOM 0 HA LYS 1 8 6.978 6.625 -11.191 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 7.572 6.769 -13.786 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 7.547 5.022 -13.661 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 5.221 5.543 -12.398 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 5.303 6.982 -13.395 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 4.252 5.597 -14.898 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 5.910 5.201 -15.305 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 5.507 3.437 -13.266 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 3.865 3.575 -13.862 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 5.052 1.796 -14.968 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 4.655 3.010 -16.087 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 6.246 2.876 -15.509 1.00 0.00 H new ATOM 111 N ILE 1 9 8.811 4.443 -10.322 1.00 0.00 N ATOM 112 CA ILE 1 9 9.021 3.163 -9.670 1.00 0.00 C ATOM 113 C ILE 1 9 8.834 3.277 -8.163 1.00 0.00 C ATOM 114 O ILE 1 9 9.460 4.111 -7.508 1.00 0.00 O ATOM 115 CB ILE 1 9 10.436 2.598 -9.980 1.00 0.00 C ATOM 116 CG1 ILE 1 9 10.350 1.138 -10.430 1.00 0.00 C ATOM 117 CG2 ILE 1 9 11.372 2.718 -8.784 1.00 0.00 C ATOM 118 CD1 ILE 1 9 9.413 0.291 -9.594 1.00 0.00 C ATOM 0 H ILE 1 9 9.504 5.154 -10.088 1.00 0.00 H new ATOM 0 HA ILE 1 9 8.275 2.474 -10.066 1.00 0.00 H new ATOM 0 HB ILE 1 9 10.849 3.199 -10.790 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 10.022 1.107 -11.469 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 11.347 0.699 -10.397 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 12.349 2.311 -9.045 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 11.477 3.767 -8.508 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 10.960 2.161 -7.942 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 9.407 -0.730 -9.976 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 9.751 0.289 -8.558 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 8.405 0.704 -9.646 1.00 0.00 H new ATOM 130 N LEU 1 10 7.998 2.411 -7.614 1.00 0.00 N ATOM 131 CA LEU 1 10 7.769 2.390 -6.179 1.00 0.00 C ATOM 132 C LEU 1 10 8.829 1.505 -5.544 1.00 0.00 C ATOM 133 O LEU 1 10 8.520 0.512 -4.885 1.00 0.00 O ATOM 134 CB LEU 1 10 6.366 1.863 -5.854 1.00 0.00 C ATOM 135 CG LEU 1 10 5.330 2.028 -6.969 1.00 0.00 C ATOM 136 CD1 LEU 1 10 5.322 0.806 -7.876 1.00 0.00 C ATOM 137 CD2 LEU 1 10 3.948 2.268 -6.379 1.00 0.00 C ATOM 0 H LEU 1 10 7.468 1.715 -8.139 1.00 0.00 H new ATOM 0 HA LEU 1 10 7.836 3.403 -5.782 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 6.442 0.804 -5.605 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 6.001 2.374 -4.963 1.00 0.00 H new ATOM 0 HG LEU 1 10 5.603 2.896 -7.569 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 4.580 0.941 -8.662 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 6.307 0.680 -8.325 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 5.074 -0.080 -7.291 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 3.223 2.383 -7.185 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 3.666 1.419 -5.756 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 3.963 3.174 -5.773 1.00 0.00 H new ATOM 149 N GLU 1 11 10.090 1.861 -5.778 1.00 0.00 N ATOM 150 CA GLU 1 11 11.207 1.085 -5.261 1.00 0.00 C ATOM 151 C GLU 1 11 12.147 1.952 -4.440 1.00 0.00 C ATOM 152 O GLU 1 11 12.526 1.578 -3.331 1.00 0.00 O ATOM 153 CB GLU 1 11 11.965 0.423 -6.412 1.00 0.00 C ATOM 154 CG GLU 1 11 13.048 -0.540 -5.956 1.00 0.00 C ATOM 155 CD GLU 1 11 12.535 -1.571 -4.968 1.00 0.00 C ATOM 156 OE1 GLU 1 11 11.329 -1.891 -5.017 1.00 0.00 O ATOM 157 OE2 GLU 1 11 13.340 -2.058 -4.147 1.00 0.00 O ATOM 0 H GLU 1 11 10.360 2.681 -6.322 1.00 0.00 H new ATOM 0 HA GLU 1 11 10.807 0.311 -4.606 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 11.255 -0.114 -7.042 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 12.417 1.198 -7.031 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 13.464 -1.050 -6.825 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 13.861 0.024 -5.498 1.00 0.00 H new ATOM 164 N GLN 1 12 12.527 3.109 -4.981 1.00 0.00 N ATOM 165 CA GLN 1 12 13.430 4.014 -4.263 1.00 0.00 C ATOM 166 C GLN 1 12 12.773 4.581 -3.001 1.00 0.00 C ATOM 167 O GLN 1 12 12.617 5.795 -2.866 1.00 0.00 O ATOM 168 CB GLN 1 12 13.867 5.163 -5.168 1.00 0.00 C ATOM 169 CG GLN 1 12 15.294 5.624 -4.920 1.00 0.00 C ATOM 170 CD GLN 1 12 15.375 6.773 -3.934 1.00 0.00 C ATOM 171 OE1 GLN 1 12 14.943 6.654 -2.788 1.00 0.00 O ATOM 172 NE2 GLN 1 12 15.933 7.894 -4.377 1.00 0.00 N ATOM 0 H GLN 1 12 12.231 3.440 -5.899 1.00 0.00 H new ATOM 0 HA GLN 1 12 14.303 3.432 -3.966 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 13.770 4.852 -6.208 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 13.191 6.006 -5.023 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 15.882 4.786 -4.545 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 15.742 5.930 -5.865 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 16.278 7.948 -5.335 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 16.017 8.701 -3.759 1.00 0.00 H new ATOM 181 N GLY 1 13 12.402 3.699 -2.073 1.00 0.00 N ATOM 182 CA GLY 1 13 11.777 4.127 -0.830 1.00 0.00 C ATOM 183 C GLY 1 13 10.748 5.228 -1.019 1.00 0.00 C ATOM 184 O GLY 1 13 10.659 6.143 -0.200 1.00 0.00 O ATOM 0 H GLY 1 13 12.524 2.690 -2.161 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 11.297 3.269 -0.359 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 12.550 4.476 -0.145 1.00 0.00 H new ATOM 188 N GLU 1 14 9.971 5.145 -2.094 1.00 0.00 N ATOM 189 CA GLU 1 14 8.950 6.152 -2.368 1.00 0.00 C ATOM 190 C GLU 1 14 7.581 5.697 -1.875 1.00 0.00 C ATOM 191 O GLU 1 14 6.964 6.349 -1.033 1.00 0.00 O ATOM 192 CB GLU 1 14 8.870 6.458 -3.867 1.00 0.00 C ATOM 193 CG GLU 1 14 10.216 6.471 -4.569 1.00 0.00 C ATOM 194 CD GLU 1 14 10.602 5.109 -5.102 1.00 0.00 C ATOM 195 OE1 GLU 1 14 10.203 4.097 -4.489 1.00 0.00 O ATOM 196 OE2 GLU 1 14 11.302 5.053 -6.135 1.00 0.00 O ATOM 0 H GLU 1 14 10.027 4.397 -2.785 1.00 0.00 H new ATOM 0 HA GLU 1 14 9.238 7.056 -1.832 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 8.230 5.716 -4.345 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 8.391 7.428 -4.004 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 10.187 7.185 -5.392 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 10.982 6.817 -3.874 1.00 0.00 H new ATOM 203 N ASP 1 15 7.107 4.581 -2.421 1.00 0.00 N ATOM 204 CA ASP 1 15 5.799 4.037 -2.057 1.00 0.00 C ATOM 205 C ASP 1 15 4.680 4.860 -2.693 1.00 0.00 C ATOM 206 O ASP 1 15 3.518 4.752 -2.303 1.00 0.00 O ATOM 207 CB ASP 1 15 5.628 4.008 -0.535 1.00 0.00 C ATOM 208 CG ASP 1 15 4.860 2.789 -0.063 1.00 0.00 C ATOM 209 OD1 ASP 1 15 4.111 2.207 -0.876 1.00 0.00 O ATOM 210 OD2 ASP 1 15 5.008 2.415 1.119 1.00 0.00 O ATOM 0 H ASP 1 15 7.610 4.033 -3.119 1.00 0.00 H new ATOM 0 HA ASP 1 15 5.742 3.016 -2.433 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 6.610 4.021 -0.061 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 5.107 4.910 -0.213 1.00 0.00 H new ATOM 215 N CYS 1 16 5.049 5.682 -3.677 1.00 0.00 N ATOM 216 CA CYS 1 16 4.102 6.537 -4.389 1.00 0.00 C ATOM 217 C CYS 1 16 4.856 7.620 -5.149 1.00 0.00 C ATOM 218 O CYS 1 16 4.858 8.785 -4.753 1.00 0.00 O ATOM 219 CB CYS 1 16 3.101 7.181 -3.424 1.00 0.00 C ATOM 220 SG CYS 1 16 1.439 6.434 -3.449 1.00 0.00 S ATOM 0 H CYS 1 16 6.012 5.773 -4.001 1.00 0.00 H new ATOM 0 HA CYS 1 16 3.545 5.916 -5.091 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 3.499 7.117 -2.411 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 3.013 8.240 -3.665 1.00 0.00 H new ATOM 225 N ASP 1 17 5.505 7.226 -6.236 1.00 0.00 N ATOM 226 CA ASP 1 17 6.272 8.166 -7.039 1.00 0.00 C ATOM 227 C ASP 1 17 5.887 8.088 -8.514 1.00 0.00 C ATOM 228 O ASP 1 17 5.336 7.091 -8.980 1.00 0.00 O ATOM 229 CB ASP 1 17 7.769 7.893 -6.871 1.00 0.00 C ATOM 230 CG ASP 1 17 8.614 8.599 -7.915 1.00 0.00 C ATOM 231 OD1 ASP 1 17 8.663 9.847 -7.897 1.00 0.00 O ATOM 232 OD2 ASP 1 17 9.221 7.902 -8.755 1.00 0.00 O ATOM 0 H ASP 1 17 5.515 6.266 -6.580 1.00 0.00 H new ATOM 0 HA ASP 1 17 6.044 9.173 -6.689 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 8.083 8.214 -5.878 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 7.947 6.819 -6.931 1.00 0.00 H new ATOM 237 N CYS 1 18 6.207 9.153 -9.238 1.00 0.00 N ATOM 238 CA CYS 1 18 5.930 9.238 -10.665 1.00 0.00 C ATOM 239 C CYS 1 18 7.209 9.575 -11.425 1.00 0.00 C ATOM 240 O CYS 1 18 8.032 10.358 -10.951 1.00 0.00 O ATOM 241 CB CYS 1 18 4.873 10.306 -10.946 1.00 0.00 C ATOM 242 SG CYS 1 18 3.207 9.901 -10.329 1.00 0.00 S ATOM 0 H CYS 1 18 6.664 9.980 -8.853 1.00 0.00 H new ATOM 0 HA CYS 1 18 5.552 8.272 -10.999 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 5.195 11.245 -10.496 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 4.818 10.471 -12.022 1.00 0.00 H new ATOM 247 N GLY 1 19 7.377 8.985 -12.602 1.00 0.00 N ATOM 248 CA GLY 1 19 8.563 9.246 -13.402 1.00 0.00 C ATOM 249 C GLY 1 19 8.885 10.727 -13.495 1.00 0.00 C ATOM 250 O GLY 1 19 10.040 11.128 -13.351 1.00 0.00 O ATOM 0 H GLY 1 19 6.715 8.330 -13.018 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 9.413 8.719 -12.969 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 8.417 8.845 -14.405 1.00 0.00 H new ATOM 254 N SER 1 20 7.859 11.538 -13.729 1.00 0.00 N ATOM 255 CA SER 1 20 8.033 12.982 -13.834 1.00 0.00 C ATOM 256 C SER 1 20 6.898 13.719 -13.120 1.00 0.00 C ATOM 257 O SER 1 20 5.726 13.507 -13.428 1.00 0.00 O ATOM 258 CB SER 1 20 8.084 13.405 -15.303 1.00 0.00 C ATOM 259 OG SER 1 20 9.193 12.821 -15.964 1.00 0.00 O ATOM 0 H SER 1 20 6.898 11.220 -13.850 1.00 0.00 H new ATOM 0 HA SER 1 20 8.975 13.246 -13.354 1.00 0.00 H new ATOM 0 HB2 SER 1 20 7.162 13.108 -15.802 1.00 0.00 H new ATOM 0 HB3 SER 1 20 8.148 14.491 -15.370 1.00 0.00 H new ATOM 0 HG SER 1 20 9.202 13.106 -16.902 1.00 0.00 H new ATOM 265 N PRO 1 21 7.226 14.598 -12.153 1.00 0.00 N ATOM 266 CA PRO 1 21 6.219 15.359 -11.406 1.00 0.00 C ATOM 267 C PRO 1 21 5.166 15.983 -12.317 1.00 0.00 C ATOM 268 O PRO 1 21 4.024 16.194 -11.909 1.00 0.00 O ATOM 269 CB PRO 1 21 7.042 16.447 -10.719 1.00 0.00 C ATOM 270 CG PRO 1 21 8.390 15.841 -10.538 1.00 0.00 C ATOM 271 CD PRO 1 21 8.598 14.919 -11.711 1.00 0.00 C ATOM 0 HA PRO 1 21 5.658 14.727 -10.717 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 7.092 17.350 -11.328 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 6.603 16.731 -9.762 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 9.161 16.610 -10.506 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 8.447 15.293 -9.597 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 9.171 15.402 -12.503 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 9.146 14.022 -11.423 1.00 0.00 H new ATOM 279 N ALA 1 22 5.557 16.273 -13.554 1.00 0.00 N ATOM 280 CA ALA 1 22 4.647 16.869 -14.525 1.00 0.00 C ATOM 281 C ALA 1 22 3.835 15.795 -15.241 1.00 0.00 C ATOM 282 O ALA 1 22 2.717 16.044 -15.692 1.00 0.00 O ATOM 283 CB ALA 1 22 5.422 17.707 -15.530 1.00 0.00 C ATOM 0 H ALA 1 22 6.499 16.105 -13.908 1.00 0.00 H new ATOM 0 HA ALA 1 22 3.954 17.517 -13.989 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 4.730 18.146 -16.249 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 5.954 18.502 -15.007 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 6.138 17.075 -16.055 1.00 0.00 H new ATOM 289 N ASN 1 23 4.404 14.598 -15.336 1.00 0.00 N ATOM 290 CA ASN 1 23 3.735 13.480 -15.990 1.00 0.00 C ATOM 291 C ASN 1 23 3.264 12.457 -14.961 1.00 0.00 C ATOM 292 O ASN 1 23 3.054 11.288 -15.284 1.00 0.00 O ATOM 293 CB ASN 1 23 4.672 12.815 -16.999 1.00 0.00 C ATOM 294 CG ASN 1 23 3.919 12.075 -18.087 1.00 0.00 C ATOM 295 OD1 ASN 1 23 4.418 12.160 -19.315 1.00 0.00 O flip ATOM 296 ND2 ASN 1 23 2.901 11.433 -17.827 1.00 0.00 N flip ATOM 0 H ASN 1 23 5.329 14.377 -14.967 1.00 0.00 H new ATOM 0 HA ASN 1 23 2.864 13.867 -16.519 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 5.309 13.574 -17.454 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 5.328 12.119 -16.477 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 2.553 11.395 -16.869 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 2.406 10.939 -18.570 1.00 0.00 H new ATOM 303 N CYS 1 24 3.104 12.906 -13.720 1.00 0.00 N ATOM 304 CA CYS 1 24 2.663 12.038 -12.641 1.00 0.00 C ATOM 305 C CYS 1 24 1.235 11.575 -12.874 1.00 0.00 C ATOM 306 O CYS 1 24 0.280 12.201 -12.414 1.00 0.00 O ATOM 307 CB CYS 1 24 2.775 12.759 -11.299 1.00 0.00 C ATOM 308 SG CYS 1 24 2.412 11.710 -9.851 1.00 0.00 S ATOM 0 H CYS 1 24 3.275 13.871 -13.439 1.00 0.00 H new ATOM 0 HA CYS 1 24 3.309 11.161 -12.621 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 3.783 13.161 -11.199 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 2.092 13.609 -11.298 1.00 0.00 H new ATOM 313 N GLN 1 25 1.101 10.473 -13.597 1.00 0.00 N ATOM 314 CA GLN 1 25 -0.209 9.908 -13.908 1.00 0.00 C ATOM 315 C GLN 1 25 -0.746 9.071 -12.746 1.00 0.00 C ATOM 316 O GLN 1 25 -1.338 8.011 -12.956 1.00 0.00 O ATOM 317 CB GLN 1 25 -0.127 9.051 -15.172 1.00 0.00 C ATOM 318 CG GLN 1 25 0.775 7.836 -15.028 1.00 0.00 C ATOM 319 CD GLN 1 25 1.442 7.447 -16.332 1.00 0.00 C ATOM 320 OE1 GLN 1 25 0.937 6.602 -17.073 1.00 0.00 O ATOM 321 NE2 GLN 1 25 2.583 8.061 -16.620 1.00 0.00 N ATOM 0 H GLN 1 25 1.886 9.948 -13.982 1.00 0.00 H new ATOM 0 HA GLN 1 25 -0.898 10.736 -14.076 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 -1.130 8.718 -15.441 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 0.236 9.667 -15.995 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 1.541 8.043 -14.280 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 0.189 6.995 -14.659 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 2.965 8.755 -15.977 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 3.078 7.839 -17.484 1.00 0.00 H new ATOM 330 N ASP 1 26 -0.546 9.555 -11.524 1.00 0.00 N ATOM 331 CA ASP 1 26 -1.019 8.859 -10.336 1.00 0.00 C ATOM 332 C ASP 1 26 -1.611 9.853 -9.344 1.00 0.00 C ATOM 333 O ASP 1 26 -0.889 10.470 -8.562 1.00 0.00 O ATOM 334 CB ASP 1 26 0.125 8.082 -9.681 1.00 0.00 C ATOM 335 CG ASP 1 26 0.892 7.234 -10.677 1.00 0.00 C ATOM 336 OD1 ASP 1 26 0.252 6.656 -11.581 1.00 0.00 O ATOM 337 OD2 ASP 1 26 2.132 7.148 -10.553 1.00 0.00 O ATOM 0 H ASP 1 26 -0.058 10.430 -11.332 1.00 0.00 H new ATOM 0 HA ASP 1 26 -1.794 8.153 -10.634 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 0.809 8.783 -9.202 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 -0.277 7.441 -8.896 1.00 0.00 H new ATOM 342 N ARG 1 27 -2.927 10.010 -9.387 1.00 0.00 N ATOM 343 CA ARG 1 27 -3.615 10.937 -8.497 1.00 0.00 C ATOM 344 C ARG 1 27 -3.487 10.509 -7.036 1.00 0.00 C ATOM 345 O ARG 1 27 -3.747 11.296 -6.126 1.00 0.00 O ATOM 346 CB ARG 1 27 -5.089 11.038 -8.887 1.00 0.00 C ATOM 347 CG ARG 1 27 -5.877 12.024 -8.040 1.00 0.00 C ATOM 348 CD ARG 1 27 -7.018 12.647 -8.829 1.00 0.00 C ATOM 349 NE ARG 1 27 -8.135 13.027 -7.967 1.00 0.00 N ATOM 350 CZ ARG 1 27 -9.027 12.164 -7.486 1.00 0.00 C ATOM 351 NH1 ARG 1 27 -8.937 10.872 -7.780 1.00 0.00 N ATOM 352 NH2 ARG 1 27 -10.013 12.593 -6.710 1.00 0.00 N ATOM 0 H ARG 1 27 -3.540 9.508 -10.029 1.00 0.00 H new ATOM 0 HA ARG 1 27 -3.145 11.915 -8.601 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 -5.160 11.334 -9.934 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 -5.547 10.052 -8.803 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 -6.275 11.515 -7.162 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 -5.212 12.808 -7.679 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 -6.654 13.527 -9.360 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 -7.366 11.941 -9.583 1.00 0.00 H new ATOM 0 HE ARG 1 27 -8.237 14.011 -7.719 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 -8.181 10.536 -8.377 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 -9.623 10.215 -7.408 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 -10.088 13.584 -6.482 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 -10.697 11.932 -6.341 1.00 0.00 H new ATOM 366 N CYS 1 28 -3.086 9.260 -6.815 1.00 0.00 N ATOM 367 CA CYS 1 28 -2.927 8.737 -5.463 1.00 0.00 C ATOM 368 C CYS 1 28 -1.468 8.815 -5.006 1.00 0.00 C ATOM 369 O CYS 1 28 -1.179 8.734 -3.812 1.00 0.00 O ATOM 370 CB CYS 1 28 -3.423 7.290 -5.398 1.00 0.00 C ATOM 371 SG CYS 1 28 -4.162 6.825 -3.798 1.00 0.00 S ATOM 0 H CYS 1 28 -2.866 8.593 -7.554 1.00 0.00 H new ATOM 0 HA CYS 1 28 -3.524 9.352 -4.790 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 -4.161 7.135 -6.185 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 -2.588 6.622 -5.608 1.00 0.00 H new ATOM 376 N CYS 1 29 -0.552 8.970 -5.961 1.00 0.00 N ATOM 377 CA CYS 1 29 0.873 9.054 -5.650 1.00 0.00 C ATOM 378 C CYS 1 29 1.499 10.303 -6.269 1.00 0.00 C ATOM 379 O CYS 1 29 1.219 10.642 -7.417 1.00 0.00 O ATOM 380 CB CYS 1 29 1.594 7.807 -6.158 1.00 0.00 C ATOM 381 SG CYS 1 29 0.999 6.250 -5.423 1.00 0.00 S ATOM 0 H CYS 1 29 -0.771 9.040 -6.955 1.00 0.00 H new ATOM 0 HA CYS 1 29 0.980 9.118 -4.567 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 1.481 7.751 -7.241 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 2.660 7.908 -5.954 1.00 0.00 H new ATOM 386 N ASN 1 30 2.345 10.988 -5.503 1.00 0.00 N ATOM 387 CA ASN 1 30 2.999 12.202 -5.988 1.00 0.00 C ATOM 388 C ASN 1 30 4.505 12.004 -6.155 1.00 0.00 C ATOM 389 O ASN 1 30 5.184 11.508 -5.251 1.00 0.00 O ATOM 390 CB ASN 1 30 2.725 13.367 -5.033 1.00 0.00 C ATOM 391 CG ASN 1 30 3.432 14.643 -5.449 1.00 0.00 C ATOM 392 OD1 ASN 1 30 4.091 15.293 -4.497 1.00 0.00 O flip ATOM 393 ND2 ASN 1 30 3.386 15.040 -6.614 1.00 0.00 N flip ATOM 0 H ASN 1 30 2.593 10.725 -4.549 1.00 0.00 H new ATOM 0 HA ASN 1 30 2.583 12.433 -6.969 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 1.651 13.550 -4.988 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 3.044 13.091 -4.028 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 2.868 14.509 -7.314 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 3.866 15.900 -6.879 1.00 0.00 H new ATOM 400 N ALA 1 31 5.016 12.410 -7.318 1.00 0.00 N ATOM 401 CA ALA 1 31 6.440 12.301 -7.620 1.00 0.00 C ATOM 402 C ALA 1 31 7.239 13.331 -6.833 1.00 0.00 C ATOM 403 O ALA 1 31 8.295 13.027 -6.278 1.00 0.00 O ATOM 404 CB ALA 1 31 6.676 12.495 -9.110 1.00 0.00 C ATOM 0 H ALA 1 31 4.460 12.819 -8.069 1.00 0.00 H new ATOM 0 HA ALA 1 31 6.775 11.305 -7.330 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 7.742 12.412 -9.323 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 6.133 11.731 -9.667 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 6.322 13.482 -9.409 1.00 0.00 H new ATOM 410 N ALA 1 32 6.721 14.555 -6.794 1.00 0.00 N ATOM 411 CA ALA 1 32 7.374 15.648 -6.081 1.00 0.00 C ATOM 412 C ALA 1 32 7.688 15.269 -4.636 1.00 0.00 C ATOM 413 O ALA 1 32 8.531 15.894 -3.992 1.00 0.00 O ATOM 414 CB ALA 1 32 6.499 16.893 -6.122 1.00 0.00 C ATOM 0 H ALA 1 32 5.847 14.816 -7.250 1.00 0.00 H new ATOM 0 HA ALA 1 32 8.320 15.856 -6.580 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 6.994 17.704 -5.587 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 6.335 17.189 -7.158 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 5.540 16.680 -5.650 1.00 0.00 H new ATOM 420 N THR 1 33 7.008 14.245 -4.130 1.00 0.00 N ATOM 421 CA THR 1 33 7.219 13.789 -2.764 1.00 0.00 C ATOM 422 C THR 1 33 7.696 12.344 -2.745 1.00 0.00 C ATOM 423 O THR 1 33 8.231 11.870 -1.742 1.00 0.00 O ATOM 424 CB THR 1 33 5.921 13.911 -1.961 1.00 0.00 C ATOM 425 OG1 THR 1 33 6.169 13.740 -0.577 1.00 0.00 O ATOM 426 CG2 THR 1 33 4.866 12.899 -2.368 1.00 0.00 C ATOM 0 H THR 1 33 6.306 13.716 -4.647 1.00 0.00 H new ATOM 0 HA THR 1 33 7.986 14.417 -2.311 1.00 0.00 H new ATOM 0 HB THR 1 33 5.543 14.911 -2.174 1.00 0.00 H new ATOM 0 HG1 THR 1 33 6.897 13.096 -0.452 1.00 0.00 H new ATOM 0 HG21 THR 1 33 3.972 13.041 -1.760 1.00 0.00 H new ATOM 0 HG22 THR 1 33 4.615 13.038 -3.420 1.00 0.00 H new ATOM 0 HG23 THR 1 33 5.252 11.891 -2.217 1.00 0.00 H new ATOM 434 N CYS 1 34 7.476 11.638 -3.850 1.00 0.00 N ATOM 435 CA CYS 1 34 7.860 10.242 -3.944 1.00 0.00 C ATOM 436 C CYS 1 34 7.170 9.455 -2.837 1.00 0.00 C ATOM 437 O CYS 1 34 7.770 8.593 -2.200 1.00 0.00 O ATOM 438 CB CYS 1 34 9.383 10.091 -3.846 1.00 0.00 C ATOM 439 SG CYS 1 34 10.205 9.770 -5.443 1.00 0.00 S ATOM 0 H CYS 1 34 7.034 12.013 -4.689 1.00 0.00 H new ATOM 0 HA CYS 1 34 7.548 9.849 -4.912 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 9.800 10.999 -3.411 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 9.613 9.275 -3.161 1.00 0.00 H new ATOM 444 N LYS 1 35 5.901 9.779 -2.605 1.00 0.00 N ATOM 445 CA LYS 1 35 5.123 9.119 -1.563 1.00 0.00 C ATOM 446 C LYS 1 35 3.641 9.478 -1.676 1.00 0.00 C ATOM 447 O LYS 1 35 3.266 10.394 -2.410 1.00 0.00 O ATOM 448 CB LYS 1 35 5.684 9.498 -0.179 1.00 0.00 C ATOM 449 CG LYS 1 35 4.634 9.891 0.853 1.00 0.00 C ATOM 450 CD LYS 1 35 5.276 10.360 2.149 1.00 0.00 C ATOM 451 CE LYS 1 35 4.320 11.210 2.969 1.00 0.00 C ATOM 452 NZ LYS 1 35 4.311 12.629 2.518 1.00 0.00 N ATOM 0 H LYS 1 35 5.391 10.494 -3.124 1.00 0.00 H new ATOM 0 HA LYS 1 35 5.206 8.040 -1.690 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 6.256 8.655 0.209 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 6.381 10.327 -0.300 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 4.005 10.684 0.450 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 3.984 9.040 1.055 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 5.589 9.496 2.734 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 6.174 10.935 1.924 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 3.313 10.799 2.894 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 4.605 11.165 4.020 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 3.646 13.175 3.103 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 5.266 13.030 2.614 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 4.014 12.675 1.522 1.00 0.00 H new ATOM 466 N LEU 1 36 2.805 8.740 -0.948 1.00 0.00 N ATOM 467 CA LEU 1 36 1.360 8.960 -0.959 1.00 0.00 C ATOM 468 C LEU 1 36 1.021 10.445 -0.846 1.00 0.00 C ATOM 469 O LEU 1 36 1.580 11.159 -0.013 1.00 0.00 O ATOM 470 CB LEU 1 36 0.700 8.193 0.191 1.00 0.00 C ATOM 471 CG LEU 1 36 0.601 6.677 -0.004 1.00 0.00 C ATOM 472 CD1 LEU 1 36 0.849 5.952 1.310 1.00 0.00 C ATOM 473 CD2 LEU 1 36 -0.759 6.301 -0.570 1.00 0.00 C ATOM 0 H LEU 1 36 3.106 7.979 -0.339 1.00 0.00 H new ATOM 0 HA LEU 1 36 0.976 8.593 -1.911 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 1.260 8.389 1.105 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 -0.304 8.590 0.341 1.00 0.00 H new ATOM 0 HG LEU 1 36 1.368 6.371 -0.716 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 0.775 4.876 1.152 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 1.845 6.196 1.678 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 0.105 6.263 2.043 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 -0.812 5.220 -0.702 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 -1.541 6.621 0.119 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 -0.901 6.792 -1.533 1.00 0.00 H new ATOM 485 N THR 1 37 0.096 10.899 -1.685 1.00 0.00 N ATOM 486 CA THR 1 37 -0.327 12.295 -1.679 1.00 0.00 C ATOM 487 C THR 1 37 -1.403 12.524 -0.619 1.00 0.00 C ATOM 488 O THR 1 37 -1.885 11.576 -0.001 1.00 0.00 O ATOM 489 CB THR 1 37 -0.858 12.698 -3.060 1.00 0.00 C ATOM 490 OG1 THR 1 37 -2.228 12.361 -3.191 1.00 0.00 O ATOM 491 CG2 THR 1 37 -0.115 12.045 -4.205 1.00 0.00 C ATOM 0 H THR 1 37 -0.376 10.319 -2.379 1.00 0.00 H new ATOM 0 HA THR 1 37 0.538 12.914 -1.439 1.00 0.00 H new ATOM 0 HB THR 1 37 -0.708 13.776 -3.119 1.00 0.00 H new ATOM 0 HG1 THR 1 37 -2.547 12.628 -4.078 1.00 0.00 H new ATOM 0 HG21 THR 1 37 -0.543 12.375 -5.152 1.00 0.00 H new ATOM 0 HG22 THR 1 37 0.937 12.328 -4.164 1.00 0.00 H new ATOM 0 HG23 THR 1 37 -0.203 10.962 -4.125 1.00 0.00 H new ATOM 499 N PRO 1 38 -1.799 13.788 -0.393 1.00 0.00 N ATOM 500 CA PRO 1 38 -2.827 14.119 0.599 1.00 0.00 C ATOM 501 C PRO 1 38 -4.143 13.403 0.315 1.00 0.00 C ATOM 502 O PRO 1 38 -4.779 13.638 -0.713 1.00 0.00 O ATOM 503 CB PRO 1 38 -2.999 15.635 0.453 1.00 0.00 C ATOM 504 CG PRO 1 38 -1.738 16.106 -0.186 1.00 0.00 C ATOM 505 CD PRO 1 38 -1.286 14.986 -1.078 1.00 0.00 C ATOM 0 HA PRO 1 38 -2.539 13.811 1.604 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 -3.867 15.877 -0.161 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 -3.152 16.110 1.422 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 -1.907 17.018 -0.759 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 -0.982 16.337 0.565 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 -1.695 15.082 -2.084 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 -0.201 14.961 -1.176 1.00 0.00 H new ATOM 513 N GLY 1 39 -4.545 12.526 1.229 1.00 0.00 N ATOM 514 CA GLY 1 39 -5.781 11.787 1.054 1.00 0.00 C ATOM 515 C GLY 1 39 -5.539 10.328 0.722 1.00 0.00 C ATOM 516 O GLY 1 39 -6.369 9.470 1.023 1.00 0.00 O ATOM 0 H GLY 1 39 -4.037 12.314 2.088 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 -6.375 11.856 1.966 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 -6.366 12.246 0.257 1.00 0.00 H new ATOM 520 N SER 1 40 -4.397 10.045 0.102 1.00 0.00 N ATOM 521 CA SER 1 40 -4.048 8.679 -0.270 1.00 0.00 C ATOM 522 C SER 1 40 -3.360 7.961 0.885 1.00 0.00 C ATOM 523 O SER 1 40 -2.281 8.362 1.322 1.00 0.00 O ATOM 524 CB SER 1 40 -3.137 8.677 -1.497 1.00 0.00 C ATOM 525 OG SER 1 40 -2.010 9.509 -1.298 1.00 0.00 O ATOM 0 H SER 1 40 -3.699 10.743 -0.153 1.00 0.00 H new ATOM 0 HA SER 1 40 -4.970 8.149 -0.510 1.00 0.00 H new ATOM 0 HB2 SER 1 40 -2.808 7.659 -1.708 1.00 0.00 H new ATOM 0 HB3 SER 1 40 -3.695 9.019 -2.369 1.00 0.00 H new ATOM 0 HG SER 1 40 -1.996 9.825 -0.370 1.00 0.00 H new ATOM 531 N GLN 1 41 -3.992 6.903 1.380 1.00 0.00 N ATOM 532 CA GLN 1 41 -3.439 6.137 2.490 1.00 0.00 C ATOM 533 C GLN 1 41 -3.054 4.718 2.068 1.00 0.00 C ATOM 534 O GLN 1 41 -2.861 3.852 2.918 1.00 0.00 O ATOM 535 CB GLN 1 41 -4.443 6.082 3.644 1.00 0.00 C ATOM 536 CG GLN 1 41 -4.185 7.120 4.724 1.00 0.00 C ATOM 537 CD GLN 1 41 -4.407 6.574 6.121 1.00 0.00 C ATOM 538 OE1 GLN 1 41 -3.456 6.237 6.826 1.00 0.00 O ATOM 539 NE2 GLN 1 41 -5.668 6.484 6.528 1.00 0.00 N ATOM 0 H GLN 1 41 -4.886 6.557 1.031 1.00 0.00 H new ATOM 0 HA GLN 1 41 -2.532 6.644 2.818 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 -5.448 6.225 3.247 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 -4.415 5.089 4.092 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 -3.160 7.482 4.638 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 -4.840 7.976 4.564 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 -6.425 6.775 5.910 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 -5.879 6.124 7.459 1.00 0.00 H new ATOM 548 N CYS 1 42 -2.945 4.475 0.762 1.00 0.00 N ATOM 549 CA CYS 1 42 -2.584 3.145 0.278 1.00 0.00 C ATOM 550 C CYS 1 42 -2.073 3.173 -1.164 1.00 0.00 C ATOM 551 O CYS 1 42 -0.973 2.699 -1.445 1.00 0.00 O ATOM 552 CB CYS 1 42 -3.775 2.190 0.417 1.00 0.00 C ATOM 553 SG CYS 1 42 -5.162 2.508 -0.723 1.00 0.00 S ATOM 0 H CYS 1 42 -3.099 5.170 0.031 1.00 0.00 H new ATOM 0 HA CYS 1 42 -1.764 2.781 0.897 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 -3.423 1.170 0.260 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 -4.147 2.245 1.440 1.00 0.00 H new ATOM 558 N ASN 1 43 -2.875 3.714 -2.072 1.00 0.00 N ATOM 559 CA ASN 1 43 -2.517 3.794 -3.488 1.00 0.00 C ATOM 560 C ASN 1 43 -2.428 2.403 -4.131 1.00 0.00 C ATOM 561 O ASN 1 43 -2.592 2.262 -5.343 1.00 0.00 O ATOM 562 CB ASN 1 43 -1.203 4.569 -3.665 1.00 0.00 C ATOM 563 CG ASN 1 43 0.011 3.672 -3.847 1.00 0.00 C ATOM 564 OD1 ASN 1 43 0.810 3.493 -2.927 1.00 0.00 O ATOM 565 ND2 ASN 1 43 0.156 3.109 -5.041 1.00 0.00 N ATOM 0 H ASN 1 43 -3.789 4.109 -1.852 1.00 0.00 H new ATOM 0 HA ASN 1 43 -3.311 4.335 -4.003 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 -1.292 5.226 -4.530 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 -1.047 5.207 -2.795 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 0.954 2.501 -5.224 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 -0.531 3.285 -5.775 1.00 0.00 H new ATOM 572 N TYR 1 44 -2.174 1.384 -3.313 1.00 0.00 N ATOM 573 CA TYR 1 44 -2.067 0.009 -3.792 1.00 0.00 C ATOM 574 C TYR 1 44 -1.718 -0.930 -2.638 1.00 0.00 C ATOM 575 O TYR 1 44 -1.196 -0.495 -1.611 1.00 0.00 O ATOM 576 CB TYR 1 44 -1.013 -0.094 -4.908 1.00 0.00 C ATOM 577 CG TYR 1 44 0.358 -0.535 -4.435 1.00 0.00 C ATOM 578 CD1 TYR 1 44 1.204 0.347 -3.774 1.00 0.00 C ATOM 579 CD2 TYR 1 44 0.803 -1.833 -4.651 1.00 0.00 C ATOM 580 CE1 TYR 1 44 2.454 -0.052 -3.342 1.00 0.00 C ATOM 581 CE2 TYR 1 44 2.052 -2.240 -4.222 1.00 0.00 C ATOM 582 CZ TYR 1 44 2.873 -1.346 -3.568 1.00 0.00 C ATOM 583 OH TYR 1 44 4.118 -1.747 -3.139 1.00 0.00 O ATOM 0 H TYR 1 44 -2.038 1.487 -2.307 1.00 0.00 H new ATOM 0 HA TYR 1 44 -3.031 -0.290 -4.203 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 -1.367 -0.797 -5.662 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 -0.921 0.877 -5.395 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 0.879 1.361 -3.595 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 0.162 -2.536 -5.163 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 3.100 0.646 -2.830 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 2.383 -3.253 -4.398 1.00 0.00 H new ATOM 0 HH TYR 1 44 4.258 -2.688 -3.376 1.00 0.00 H new ATOM 593 N GLY 1 45 -2.002 -2.216 -2.812 1.00 0.00 N ATOM 594 CA GLY 1 45 -1.701 -3.187 -1.774 1.00 0.00 C ATOM 595 C GLY 1 45 -2.937 -3.895 -1.256 1.00 0.00 C ATOM 596 O GLY 1 45 -4.063 -3.498 -1.556 1.00 0.00 O ATOM 0 H GLY 1 45 -2.434 -2.604 -3.651 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -1.002 -3.926 -2.166 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -1.202 -2.684 -0.946 1.00 0.00 H new ATOM 600 N GLU 1 46 -2.724 -4.948 -0.472 1.00 0.00 N ATOM 601 CA GLU 1 46 -3.823 -5.720 0.095 1.00 0.00 C ATOM 602 C GLU 1 46 -4.710 -4.844 0.970 1.00 0.00 C ATOM 603 O GLU 1 46 -5.936 -4.894 0.883 1.00 0.00 O ATOM 604 CB GLU 1 46 -3.273 -6.879 0.925 1.00 0.00 C ATOM 605 CG GLU 1 46 -2.974 -8.126 0.110 1.00 0.00 C ATOM 606 CD GLU 1 46 -2.062 -7.848 -1.069 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -2.549 -7.303 -2.082 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -0.859 -8.175 -0.979 1.00 0.00 O ATOM 0 H GLU 1 46 -1.797 -5.286 -0.215 1.00 0.00 H new ATOM 0 HA GLU 1 46 -4.423 -6.111 -0.727 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -2.360 -6.555 1.425 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -3.992 -7.129 1.705 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -2.511 -8.874 0.754 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -3.910 -8.552 -0.252 1.00 0.00 H new ATOM 615 N CYS 1 47 -4.074 -4.048 1.818 1.00 0.00 N ATOM 616 CA CYS 1 47 -4.788 -3.159 2.724 1.00 0.00 C ATOM 617 C CYS 1 47 -5.385 -1.967 1.981 1.00 0.00 C ATOM 618 O CYS 1 47 -6.259 -1.278 2.504 1.00 0.00 O ATOM 619 CB CYS 1 47 -3.840 -2.670 3.816 1.00 0.00 C ATOM 620 SG CYS 1 47 -3.869 -3.675 5.329 1.00 0.00 S ATOM 0 H CYS 1 47 -3.058 -4.000 1.898 1.00 0.00 H new ATOM 0 HA CYS 1 47 -5.609 -3.719 3.173 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 -2.824 -2.657 3.421 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 -4.096 -1.642 4.071 1.00 0.00 H new ATOM 625 N CYS 1 48 -4.903 -1.713 0.768 1.00 0.00 N ATOM 626 CA CYS 1 48 -5.390 -0.590 -0.018 1.00 0.00 C ATOM 627 C CYS 1 48 -6.839 -0.784 -0.450 1.00 0.00 C ATOM 628 O CYS 1 48 -7.230 -1.857 -0.911 1.00 0.00 O ATOM 629 CB CYS 1 48 -4.519 -0.393 -1.257 1.00 0.00 C ATOM 630 SG CYS 1 48 -4.907 1.124 -2.184 1.00 0.00 S ATOM 0 H CYS 1 48 -4.179 -2.268 0.312 1.00 0.00 H new ATOM 0 HA CYS 1 48 -5.338 0.294 0.618 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 -3.472 -0.367 -0.955 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 -4.639 -1.253 -1.916 1.00 0.00 H new ATOM 635 N ASP 1 49 -7.624 0.279 -0.304 1.00 0.00 N ATOM 636 CA ASP 1 49 -9.031 0.268 -0.679 1.00 0.00 C ATOM 637 C ASP 1 49 -9.526 1.694 -0.896 1.00 0.00 C ATOM 638 O ASP 1 49 -9.731 2.441 0.061 1.00 0.00 O ATOM 639 CB ASP 1 49 -9.868 -0.421 0.400 1.00 0.00 C ATOM 640 CG ASP 1 49 -11.004 -1.239 -0.183 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -10.879 -1.687 -1.342 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -12.019 -1.431 0.520 1.00 0.00 O ATOM 0 H ASP 1 49 -7.302 1.169 0.077 1.00 0.00 H new ATOM 0 HA ASP 1 49 -9.138 -0.290 -1.609 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -9.225 -1.070 0.995 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -10.275 0.331 1.076 1.00 0.00 H new ATOM 647 N GLN 1 50 -9.703 2.073 -2.158 1.00 0.00 N ATOM 648 CA GLN 1 50 -10.161 3.417 -2.494 1.00 0.00 C ATOM 649 C GLN 1 50 -9.135 4.457 -2.052 1.00 0.00 C ATOM 650 O GLN 1 50 -9.489 5.512 -1.525 1.00 0.00 O ATOM 651 CB GLN 1 50 -11.514 3.701 -1.837 1.00 0.00 C ATOM 652 CG GLN 1 50 -12.510 2.562 -1.978 1.00 0.00 C ATOM 653 CD GLN 1 50 -13.189 2.546 -3.334 1.00 0.00 C ATOM 654 OE1 GLN 1 50 -13.004 1.620 -4.123 1.00 0.00 O ATOM 655 NE2 GLN 1 50 -13.980 3.576 -3.612 1.00 0.00 N ATOM 0 H GLN 1 50 -9.537 1.470 -2.963 1.00 0.00 H new ATOM 0 HA GLN 1 50 -10.277 3.479 -3.576 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 -11.358 3.907 -0.778 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 -11.940 4.602 -2.278 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 -11.996 1.613 -1.822 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 -13.266 2.647 -1.198 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 -14.105 4.322 -2.928 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 -14.463 3.621 -4.509 1.00 0.00 H new ATOM 664 N CYS 1 51 -7.861 4.144 -2.267 1.00 0.00 N ATOM 665 CA CYS 1 51 -6.772 5.040 -1.889 1.00 0.00 C ATOM 666 C CYS 1 51 -6.728 5.241 -0.375 1.00 0.00 C ATOM 667 O CYS 1 51 -6.197 6.238 0.113 1.00 0.00 O ATOM 668 CB CYS 1 51 -6.912 6.390 -2.596 1.00 0.00 C ATOM 669 SG CYS 1 51 -6.111 6.461 -4.233 1.00 0.00 S ATOM 0 H CYS 1 51 -7.556 3.274 -2.703 1.00 0.00 H new ATOM 0 HA CYS 1 51 -5.836 4.577 -2.202 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 -7.971 6.619 -2.712 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 -6.485 7.166 -1.961 1.00 0.00 H new ATOM 674 N ARG 1 52 -7.281 4.280 0.364 1.00 0.00 N ATOM 675 CA ARG 1 52 -7.297 4.342 1.822 1.00 0.00 C ATOM 676 C ARG 1 52 -7.125 2.947 2.418 1.00 0.00 C ATOM 677 O ARG 1 52 -7.789 2.000 1.997 1.00 0.00 O ATOM 678 CB ARG 1 52 -8.606 4.964 2.314 1.00 0.00 C ATOM 679 CG ARG 1 52 -8.544 6.476 2.460 1.00 0.00 C ATOM 680 CD ARG 1 52 -8.108 6.883 3.858 1.00 0.00 C ATOM 681 NE ARG 1 52 -7.713 8.288 3.920 1.00 0.00 N ATOM 682 CZ ARG 1 52 -8.577 9.299 3.983 1.00 0.00 C ATOM 683 NH1 ARG 1 52 -9.883 9.065 3.993 1.00 0.00 N ATOM 684 NH2 ARG 1 52 -8.133 10.548 4.037 1.00 0.00 N ATOM 0 H ARG 1 52 -7.724 3.448 -0.026 1.00 0.00 H new ATOM 0 HA ARG 1 52 -6.466 4.967 2.148 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 -9.405 4.707 1.618 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 -8.868 4.525 3.277 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 -7.848 6.885 1.727 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 -9.523 6.904 2.244 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 -8.924 6.704 4.559 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 -7.273 6.257 4.174 1.00 0.00 H new ATOM 0 HE ARG 1 52 -6.717 8.507 3.915 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 -10.230 8.107 3.952 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 -10.540 9.844 4.041 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 -7.130 10.733 4.030 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 -8.795 11.323 4.085 1.00 0.00 H new ATOM 698 N PHE 1 53 -6.227 2.822 3.394 1.00 0.00 N ATOM 699 CA PHE 1 53 -5.975 1.532 4.031 1.00 0.00 C ATOM 700 C PHE 1 53 -7.247 0.955 4.627 1.00 0.00 C ATOM 701 O PHE 1 53 -8.108 1.688 5.114 1.00 0.00 O ATOM 702 CB PHE 1 53 -4.909 1.656 5.126 1.00 0.00 C ATOM 703 CG PHE 1 53 -3.511 1.790 4.597 1.00 0.00 C ATOM 704 CD1 PHE 1 53 -3.144 1.180 3.408 1.00 0.00 C ATOM 705 CD2 PHE 1 53 -2.563 2.529 5.287 1.00 0.00 C ATOM 706 CE1 PHE 1 53 -1.863 1.303 2.917 1.00 0.00 C ATOM 707 CE2 PHE 1 53 -1.276 2.656 4.799 1.00 0.00 C ATOM 708 CZ PHE 1 53 -0.925 2.043 3.612 1.00 0.00 C ATOM 0 H PHE 1 53 -5.666 3.592 3.758 1.00 0.00 H new ATOM 0 HA PHE 1 53 -5.611 0.857 3.256 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 -5.138 2.523 5.746 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 -4.961 0.779 5.772 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 -3.872 0.601 2.859 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 -2.833 3.011 6.215 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 -1.592 0.821 1.989 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 -0.545 3.234 5.345 1.00 0.00 H new ATOM 0 HZ PHE 1 53 0.080 2.142 3.228 1.00 0.00 H new ATOM 718 N LYS 1 54 -7.353 -0.366 4.594 1.00 0.00 N ATOM 719 CA LYS 1 54 -8.517 -1.044 5.142 1.00 0.00 C ATOM 720 C LYS 1 54 -8.507 -0.958 6.663 1.00 0.00 C ATOM 721 O LYS 1 54 -7.647 -1.543 7.317 1.00 0.00 O ATOM 722 CB LYS 1 54 -8.543 -2.507 4.697 1.00 0.00 C ATOM 723 CG LYS 1 54 -9.351 -2.743 3.431 1.00 0.00 C ATOM 724 CD LYS 1 54 -8.774 -3.882 2.604 1.00 0.00 C ATOM 725 CE LYS 1 54 -8.678 -3.510 1.134 1.00 0.00 C ATOM 726 NZ LYS 1 54 -8.449 -4.703 0.273 1.00 0.00 N ATOM 0 H LYS 1 54 -6.649 -0.987 4.195 1.00 0.00 H new ATOM 0 HA LYS 1 54 -9.414 -0.551 4.767 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -7.520 -2.847 4.534 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -8.957 -3.116 5.501 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -10.384 -2.971 3.695 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -9.368 -1.831 2.834 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -7.784 -4.141 2.980 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -9.399 -4.768 2.716 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -9.596 -3.010 0.825 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -7.865 -2.798 0.992 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -8.406 -4.409 -0.724 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -7.551 -5.156 0.539 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -9.229 -5.379 0.401 1.00 0.00 H new ATOM 740 N LYS 1 55 -9.464 -0.221 7.223 1.00 0.00 N ATOM 741 CA LYS 1 55 -9.560 -0.052 8.672 1.00 0.00 C ATOM 742 C LYS 1 55 -9.182 -1.337 9.402 1.00 0.00 C ATOM 743 O LYS 1 55 -9.723 -2.409 9.114 1.00 0.00 O ATOM 744 CB LYS 1 55 -10.977 0.371 9.063 1.00 0.00 C ATOM 745 CG LYS 1 55 -11.141 0.648 10.548 1.00 0.00 C ATOM 746 CD LYS 1 55 -12.559 1.084 10.880 1.00 0.00 C ATOM 747 CE LYS 1 55 -12.791 1.130 12.382 1.00 0.00 C ATOM 748 NZ LYS 1 55 -13.692 2.249 12.771 1.00 0.00 N ATOM 0 H LYS 1 55 -10.185 0.270 6.695 1.00 0.00 H new ATOM 0 HA LYS 1 55 -8.858 0.728 8.966 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 -11.248 1.266 8.503 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 -11.675 -0.412 8.769 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 -10.892 -0.248 11.116 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 -10.439 1.424 10.854 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 -12.748 2.068 10.451 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 -13.269 0.395 10.422 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 -13.223 0.185 12.712 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 -11.835 1.239 12.894 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 -13.825 2.245 13.803 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 -13.269 3.153 12.480 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 -14.613 2.132 12.303 1.00 0.00 H new ATOM 762 N ALA 1 56 -8.239 -1.225 10.339 1.00 0.00 N ATOM 763 CA ALA 1 56 -7.783 -2.380 11.100 1.00 0.00 C ATOM 764 C ALA 1 56 -8.946 -3.291 11.442 1.00 0.00 C ATOM 765 O ALA 1 56 -9.989 -2.837 11.913 1.00 0.00 O ATOM 766 CB ALA 1 56 -7.072 -1.954 12.369 1.00 0.00 C ATOM 0 H ALA 1 56 -7.780 -0.348 10.585 1.00 0.00 H new ATOM 0 HA ALA 1 56 -7.077 -2.927 10.476 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 -6.743 -2.838 12.916 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 -6.207 -1.343 12.113 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 -7.754 -1.375 12.991 1.00 0.00 H new ATOM 772 N GLY 1 57 -8.772 -4.570 11.176 1.00 0.00 N ATOM 773 CA GLY 1 57 -9.833 -5.520 11.437 1.00 0.00 C ATOM 774 C GLY 1 57 -10.338 -6.146 10.157 1.00 0.00 C ATOM 775 O GLY 1 57 -11.039 -7.158 10.185 1.00 0.00 O ATOM 0 H GLY 1 57 -7.919 -4.971 10.785 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -9.469 -6.299 12.107 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -10.655 -5.019 11.948 1.00 0.00 H new ATOM 779 N THR 1 58 -9.965 -5.550 9.025 1.00 0.00 N ATOM 780 CA THR 1 58 -10.362 -6.070 7.727 1.00 0.00 C ATOM 781 C THR 1 58 -9.501 -7.276 7.374 1.00 0.00 C ATOM 782 O THR 1 58 -8.281 -7.163 7.261 1.00 0.00 O ATOM 783 CB THR 1 58 -10.213 -4.998 6.649 1.00 0.00 C ATOM 784 OG1 THR 1 58 -11.005 -3.863 6.953 1.00 0.00 O ATOM 785 CG2 THR 1 58 -10.615 -5.488 5.279 1.00 0.00 C ATOM 0 H THR 1 58 -9.390 -4.709 8.985 1.00 0.00 H new ATOM 0 HA THR 1 58 -11.409 -6.370 7.777 1.00 0.00 H new ATOM 0 HB THR 1 58 -9.154 -4.739 6.634 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -10.580 -3.351 7.672 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -10.489 -4.684 4.554 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -9.988 -6.334 4.997 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -11.659 -5.800 5.296 1.00 0.00 H new ATOM 793 N VAL 1 59 -10.131 -8.433 7.217 1.00 0.00 N ATOM 794 CA VAL 1 59 -9.397 -9.648 6.896 1.00 0.00 C ATOM 795 C VAL 1 59 -8.983 -9.689 5.428 1.00 0.00 C ATOM 796 O VAL 1 59 -9.829 -9.693 4.534 1.00 0.00 O ATOM 797 CB VAL 1 59 -10.218 -10.915 7.217 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -11.519 -10.923 6.430 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -9.405 -12.168 6.929 1.00 0.00 C ATOM 0 H VAL 1 59 -11.140 -8.555 7.306 1.00 0.00 H new ATOM 0 HA VAL 1 59 -8.503 -9.633 7.520 1.00 0.00 H new ATOM 0 HB VAL 1 59 -10.463 -10.906 8.279 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -12.084 -11.824 6.670 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -12.108 -10.045 6.693 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -11.299 -10.906 5.363 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -10.001 -13.050 7.162 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -9.126 -12.186 5.876 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -8.504 -12.167 7.543 1.00 0.00 H new ATOM 809 N CYS 1 60 -7.676 -9.733 5.189 1.00 0.00 N ATOM 810 CA CYS 1 60 -7.150 -9.791 3.826 1.00 0.00 C ATOM 811 C CYS 1 60 -6.734 -11.215 3.459 1.00 0.00 C ATOM 812 O CYS 1 60 -6.720 -11.586 2.286 1.00 0.00 O ATOM 813 CB CYS 1 60 -5.952 -8.855 3.670 1.00 0.00 C ATOM 814 SG CYS 1 60 -6.254 -7.151 4.232 1.00 0.00 S ATOM 0 H CYS 1 60 -6.962 -9.730 5.918 1.00 0.00 H new ATOM 0 HA CYS 1 60 -7.945 -9.472 3.152 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -5.110 -9.265 4.228 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -5.658 -8.832 2.621 1.00 0.00 H new ATOM 819 N ARG 1 61 -6.389 -12.005 4.473 1.00 0.00 N ATOM 820 CA ARG 1 61 -5.964 -13.388 4.264 1.00 0.00 C ATOM 821 C ARG 1 61 -6.441 -14.284 5.406 1.00 0.00 C ATOM 822 O ARG 1 61 -6.794 -13.804 6.481 1.00 0.00 O ATOM 823 CB ARG 1 61 -4.434 -13.467 4.144 1.00 0.00 C ATOM 824 CG ARG 1 61 -3.958 -14.219 2.909 1.00 0.00 C ATOM 825 CD ARG 1 61 -2.635 -14.949 3.143 1.00 0.00 C ATOM 826 NE ARG 1 61 -1.740 -14.241 4.063 1.00 0.00 N ATOM 827 CZ ARG 1 61 -1.264 -13.016 3.849 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -1.548 -12.369 2.726 1.00 0.00 N ATOM 829 NH2 ARG 1 61 -0.484 -12.443 4.756 1.00 0.00 N ATOM 0 H ARG 1 61 -6.395 -11.711 5.450 1.00 0.00 H new ATOM 0 HA ARG 1 61 -6.413 -13.740 3.335 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -4.027 -12.456 4.123 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -4.033 -13.954 5.033 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -4.719 -14.940 2.610 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -3.841 -13.518 2.083 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -2.841 -15.943 3.540 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -2.129 -15.086 2.187 1.00 0.00 H new ATOM 0 HE ARG 1 61 -1.464 -14.717 4.922 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -2.135 -12.810 2.018 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 -1.179 -11.431 2.571 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 -0.250 -12.941 5.615 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 -0.118 -11.505 4.594 1.00 0.00 H new ATOM 843 N ILE 1 62 -6.439 -15.590 5.165 1.00 0.00 N ATOM 844 CA ILE 1 62 -6.856 -16.562 6.164 1.00 0.00 C ATOM 845 C ILE 1 62 -6.233 -17.913 5.863 1.00 0.00 C ATOM 846 O ILE 1 62 -6.304 -18.410 4.739 1.00 0.00 O ATOM 847 CB ILE 1 62 -8.389 -16.734 6.222 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -9.080 -15.421 6.596 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -8.771 -17.826 7.217 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -8.831 -15.000 8.029 1.00 0.00 C ATOM 0 H ILE 1 62 -6.150 -16.001 4.277 1.00 0.00 H new ATOM 0 HA ILE 1 62 -6.519 -16.182 7.129 1.00 0.00 H new ATOM 0 HB ILE 1 62 -8.726 -17.028 5.228 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -8.733 -14.633 5.928 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -10.153 -15.525 6.436 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -9.856 -17.931 7.243 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -8.322 -18.771 6.911 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -8.409 -17.557 8.209 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -9.349 -14.062 8.228 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -9.203 -15.770 8.704 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -7.761 -14.864 8.188 1.00 0.00 H new ATOM 862 N ALA 1 63 -5.635 -18.502 6.877 1.00 0.00 N ATOM 863 CA ALA 1 63 -5.007 -19.806 6.734 1.00 0.00 C ATOM 864 C ALA 1 63 -6.059 -20.869 6.447 1.00 0.00 C ATOM 865 O ALA 1 63 -6.190 -21.329 5.314 1.00 0.00 O ATOM 866 CB ALA 1 63 -4.199 -20.153 7.975 1.00 0.00 C ATOM 0 H ALA 1 63 -5.569 -18.101 7.812 1.00 0.00 H new ATOM 0 HA ALA 1 63 -4.319 -19.772 5.889 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -3.738 -21.132 7.847 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -3.422 -19.403 8.125 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -4.857 -20.173 8.844 1.00 0.00 H new ATOM 872 N ARG 1 64 -6.820 -21.239 7.475 1.00 0.00 N ATOM 873 CA ARG 1 64 -7.882 -22.238 7.327 1.00 0.00 C ATOM 874 C ARG 1 64 -8.449 -22.656 8.682 1.00 0.00 C ATOM 875 O ARG 1 64 -8.190 -23.760 9.162 1.00 0.00 O ATOM 876 CB ARG 1 64 -7.375 -23.472 6.568 1.00 0.00 C ATOM 877 CG ARG 1 64 -8.235 -23.844 5.370 1.00 0.00 C ATOM 878 CD ARG 1 64 -8.299 -22.715 4.351 1.00 0.00 C ATOM 879 NE ARG 1 64 -9.300 -22.967 3.317 1.00 0.00 N ATOM 880 CZ ARG 1 64 -9.145 -23.852 2.335 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -8.032 -24.571 2.250 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -10.105 -24.019 1.436 1.00 0.00 N ATOM 0 H ARG 1 64 -6.723 -20.864 8.419 1.00 0.00 H new ATOM 0 HA ARG 1 64 -8.682 -21.775 6.749 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -6.355 -23.287 6.230 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -7.335 -24.319 7.253 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -7.832 -24.739 4.897 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -9.243 -24.088 5.707 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -8.531 -21.780 4.860 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -7.321 -22.590 3.886 1.00 0.00 H new ATOM 0 HE ARG 1 64 -10.169 -22.433 3.350 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -7.291 -24.447 2.939 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -7.918 -25.248 1.495 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -10.962 -23.469 1.497 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -9.986 -24.697 0.683 1.00 0.00 H new ATOM 896 N GLY 1 65 -9.232 -21.772 9.292 1.00 0.00 N ATOM 897 CA GLY 1 65 -9.826 -22.078 10.579 1.00 0.00 C ATOM 898 C GLY 1 65 -10.030 -20.847 11.437 1.00 0.00 C ATOM 899 O GLY 1 65 -10.817 -19.964 11.095 1.00 0.00 O ATOM 0 H GLY 1 65 -9.465 -20.852 8.919 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -10.786 -22.570 10.423 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -9.188 -22.784 11.110 1.00 0.00 H new ATOM 903 N ASP 1 66 -9.318 -20.792 12.555 1.00 0.00 N ATOM 904 CA ASP 1 66 -9.416 -19.665 13.475 1.00 0.00 C ATOM 905 C ASP 1 66 -8.281 -19.702 14.492 1.00 0.00 C ATOM 906 O ASP 1 66 -8.453 -20.176 15.615 1.00 0.00 O ATOM 907 CB ASP 1 66 -10.766 -19.680 14.195 1.00 0.00 C ATOM 908 CG ASP 1 66 -11.840 -18.936 13.426 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -11.583 -17.787 13.009 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -12.938 -19.502 13.242 1.00 0.00 O ATOM 0 H ASP 1 66 -8.664 -21.518 12.848 1.00 0.00 H new ATOM 0 HA ASP 1 66 -9.336 -18.744 12.897 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -11.082 -20.712 14.348 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -10.653 -19.232 15.182 1.00 0.00 H new ATOM 915 N TRP 1 67 -7.121 -19.206 14.083 1.00 0.00 N ATOM 916 CA TRP 1 67 -5.944 -19.182 14.946 1.00 0.00 C ATOM 917 C TRP 1 67 -5.462 -17.755 15.155 1.00 0.00 C ATOM 918 O TRP 1 67 -5.566 -17.199 16.249 1.00 0.00 O ATOM 919 CB TRP 1 67 -4.820 -20.024 14.326 1.00 0.00 C ATOM 920 CG TRP 1 67 -5.115 -20.473 12.927 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -5.178 -19.693 11.807 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -5.395 -21.808 12.502 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -5.493 -20.461 10.718 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -5.625 -21.765 11.116 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -5.474 -23.035 13.162 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -5.928 -22.903 10.377 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -5.774 -24.167 12.428 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -5.998 -24.094 11.047 1.00 0.00 C ATOM 0 H TRP 1 67 -6.968 -18.813 13.154 1.00 0.00 H new ATOM 0 HA TRP 1 67 -6.218 -19.603 15.913 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -3.898 -19.442 14.326 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -4.645 -20.899 14.951 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -5.005 -18.627 11.784 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -5.610 -20.118 9.765 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -5.304 -23.099 14.227 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -6.102 -22.849 9.312 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -5.837 -25.123 12.927 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -6.231 -24.996 10.500 1.00 0.00 H new ATOM 939 N ASN 1 68 -4.939 -17.172 14.089 1.00 0.00 N ATOM 940 CA ASN 1 68 -4.437 -15.805 14.121 1.00 0.00 C ATOM 941 C ASN 1 68 -5.220 -14.929 13.158 1.00 0.00 C ATOM 942 O ASN 1 68 -5.655 -13.833 13.511 1.00 0.00 O ATOM 943 CB ASN 1 68 -2.959 -15.758 13.740 1.00 0.00 C ATOM 944 CG ASN 1 68 -2.199 -17.002 14.163 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -2.317 -18.063 13.373 1.00 0.00 O flip ATOM 946 ND2 ASN 1 68 -1.515 -17.008 15.186 1.00 0.00 N flip ATOM 0 H ASN 1 68 -4.850 -17.628 13.181 1.00 0.00 H new ATOM 0 HA ASN 1 68 -4.558 -15.433 15.138 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -2.871 -15.634 12.661 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -2.498 -14.883 14.199 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -1.453 -16.169 15.763 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -1.010 -17.852 15.457 1.00 0.00 H new ATOM 953 N ASP 1 69 -5.383 -15.422 11.933 1.00 0.00 N ATOM 954 CA ASP 1 69 -6.103 -14.692 10.898 1.00 0.00 C ATOM 955 C ASP 1 69 -5.264 -13.550 10.358 1.00 0.00 C ATOM 956 O ASP 1 69 -4.313 -13.103 11.000 1.00 0.00 O ATOM 957 CB ASP 1 69 -7.411 -14.130 11.444 1.00 0.00 C ATOM 958 CG ASP 1 69 -8.194 -15.148 12.250 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -7.937 -15.266 13.467 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -9.063 -15.828 11.664 1.00 0.00 O ATOM 0 H ASP 1 69 -5.024 -16.328 11.634 1.00 0.00 H new ATOM 0 HA ASP 1 69 -6.317 -15.394 10.092 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -7.196 -13.264 12.070 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -8.025 -13.779 10.615 1.00 0.00 H new ATOM 965 N ASP 1 70 -5.635 -13.066 9.184 1.00 0.00 N ATOM 966 CA ASP 1 70 -4.932 -11.957 8.568 1.00 0.00 C ATOM 967 C ASP 1 70 -5.804 -10.723 8.584 1.00 0.00 C ATOM 968 O ASP 1 70 -6.906 -10.726 8.040 1.00 0.00 O ATOM 969 CB ASP 1 70 -4.518 -12.301 7.142 1.00 0.00 C ATOM 970 CG ASP 1 70 -3.542 -11.291 6.578 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -3.581 -10.126 7.021 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -2.742 -11.663 5.696 1.00 0.00 O ATOM 0 H ASP 1 70 -6.419 -13.425 8.640 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.027 -11.758 9.141 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -4.065 -13.292 7.125 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -5.403 -12.344 6.507 1.00 0.00 H new ATOM 977 N TYR 1 71 -5.324 -9.677 9.241 1.00 0.00 N ATOM 978 CA TYR 1 71 -6.095 -8.456 9.357 1.00 0.00 C ATOM 979 C TYR 1 71 -5.272 -7.208 9.117 1.00 0.00 C ATOM 980 O TYR 1 71 -4.112 -7.116 9.518 1.00 0.00 O ATOM 981 CB TYR 1 71 -6.714 -8.385 10.741 1.00 0.00 C ATOM 982 CG TYR 1 71 -7.882 -9.310 10.898 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -9.086 -9.008 10.299 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -7.781 -10.479 11.635 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -10.173 -9.837 10.425 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -8.860 -11.325 11.772 1.00 0.00 C ATOM 987 CZ TYR 1 71 -10.061 -11.000 11.165 1.00 0.00 C ATOM 988 OH TYR 1 71 -11.144 -11.838 11.297 1.00 0.00 O ATOM 0 H TYR 1 71 -4.412 -9.652 9.697 1.00 0.00 H new ATOM 0 HA TYR 1 71 -6.862 -8.488 8.584 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -5.958 -8.631 11.486 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -7.036 -7.363 10.939 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -9.176 -8.101 9.719 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -6.844 -10.731 12.109 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -11.109 -9.583 9.950 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -8.770 -12.234 12.348 1.00 0.00 H new ATOM 0 HH TYR 1 71 -10.895 -12.610 11.847 1.00 0.00 H new ATOM 998 N CYS 1 72 -5.906 -6.237 8.478 1.00 0.00 N ATOM 999 CA CYS 1 72 -5.271 -4.965 8.195 1.00 0.00 C ATOM 1000 C CYS 1 72 -5.024 -4.203 9.492 1.00 0.00 C ATOM 1001 O CYS 1 72 -5.622 -4.512 10.524 1.00 0.00 O ATOM 1002 CB CYS 1 72 -6.151 -4.141 7.260 1.00 0.00 C ATOM 1003 SG CYS 1 72 -5.281 -2.761 6.456 1.00 0.00 S ATOM 0 H CYS 1 72 -6.867 -6.310 8.145 1.00 0.00 H new ATOM 0 HA CYS 1 72 -4.313 -5.148 7.708 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -6.561 -4.796 6.492 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 -6.995 -3.746 7.825 1.00 0.00 H new ATOM 1008 N THR 1 73 -4.138 -3.215 9.436 1.00 0.00 N ATOM 1009 CA THR 1 73 -3.810 -2.418 10.613 1.00 0.00 C ATOM 1010 C THR 1 73 -4.139 -0.939 10.402 1.00 0.00 C ATOM 1011 O THR 1 73 -3.868 -0.107 11.268 1.00 0.00 O ATOM 1012 CB THR 1 73 -2.329 -2.581 10.952 1.00 0.00 C ATOM 1013 OG1 THR 1 73 -1.523 -1.888 10.016 1.00 0.00 O ATOM 1014 CG2 THR 1 73 -1.880 -4.026 10.963 1.00 0.00 C ATOM 0 H THR 1 73 -3.635 -2.947 8.590 1.00 0.00 H new ATOM 0 HA THR 1 73 -4.418 -2.778 11.443 1.00 0.00 H new ATOM 0 HB THR 1 73 -2.211 -2.170 11.955 1.00 0.00 H new ATOM 0 HG1 THR 1 73 -0.611 -2.245 10.043 1.00 0.00 H new ATOM 0 HG21 THR 1 73 -0.820 -4.076 11.210 1.00 0.00 H new ATOM 0 HG22 THR 1 73 -2.452 -4.579 11.708 1.00 0.00 H new ATOM 0 HG23 THR 1 73 -2.044 -4.466 9.979 1.00 0.00 H new ATOM 1022 N GLY 1 74 -4.726 -0.617 9.253 1.00 0.00 N ATOM 1023 CA GLY 1 74 -5.081 0.758 8.959 1.00 0.00 C ATOM 1024 C GLY 1 74 -3.893 1.699 9.018 1.00 0.00 C ATOM 1025 O GLY 1 74 -4.061 2.909 9.174 1.00 0.00 O ATOM 0 H GLY 1 74 -4.962 -1.286 8.520 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 -5.529 0.808 7.967 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 -5.838 1.092 9.668 1.00 0.00 H new ATOM 1029 N LYS 1 75 -2.688 1.149 8.896 1.00 0.00 N ATOM 1030 CA LYS 1 75 -1.475 1.959 8.939 1.00 0.00 C ATOM 1031 C LYS 1 75 -0.465 1.518 7.878 1.00 0.00 C ATOM 1032 O LYS 1 75 0.678 1.975 7.876 1.00 0.00 O ATOM 1033 CB LYS 1 75 -0.841 1.887 10.332 1.00 0.00 C ATOM 1034 CG LYS 1 75 -0.116 0.579 10.612 1.00 0.00 C ATOM 1035 CD LYS 1 75 -0.635 -0.089 11.875 1.00 0.00 C ATOM 1036 CE LYS 1 75 -0.230 0.683 13.120 1.00 0.00 C ATOM 1037 NZ LYS 1 75 -1.291 1.633 13.555 1.00 0.00 N ATOM 0 H LYS 1 75 -2.526 0.150 8.767 1.00 0.00 H new ATOM 0 HA LYS 1 75 -1.756 2.990 8.723 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 -0.138 2.712 10.443 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 -1.619 2.028 11.082 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 -0.241 -0.096 9.765 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 0.953 0.769 10.713 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 -1.722 -0.163 11.829 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 -0.249 -1.107 11.935 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 -0.016 -0.017 13.928 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 0.690 1.232 12.923 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 -1.260 1.739 14.589 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 -1.133 2.558 13.107 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 -2.222 1.266 13.273 1.00 0.00 H new ATOM 1051 N SER 1 76 -0.884 0.631 6.978 1.00 0.00 N ATOM 1052 CA SER 1 76 -0.001 0.145 5.924 1.00 0.00 C ATOM 1053 C SER 1 76 -0.777 -0.647 4.876 1.00 0.00 C ATOM 1054 O SER 1 76 -1.903 -1.080 5.117 1.00 0.00 O ATOM 1055 CB SER 1 76 1.104 -0.729 6.522 1.00 0.00 C ATOM 1056 OG SER 1 76 2.132 0.065 7.088 1.00 0.00 O ATOM 0 H SER 1 76 -1.825 0.237 6.958 1.00 0.00 H new ATOM 0 HA SER 1 76 0.447 1.011 5.436 1.00 0.00 H new ATOM 0 HB2 SER 1 76 0.682 -1.382 7.286 1.00 0.00 H new ATOM 0 HB3 SER 1 76 1.522 -1.373 5.748 1.00 0.00 H new ATOM 0 HG SER 1 76 1.848 1.003 7.108 1.00 0.00 H new ATOM 1062 N SER 1 77 -0.159 -0.835 3.712 1.00 0.00 N ATOM 1063 CA SER 1 77 -0.782 -1.580 2.620 1.00 0.00 C ATOM 1064 C SER 1 77 -0.540 -3.081 2.770 1.00 0.00 C ATOM 1065 O SER 1 77 -0.797 -3.853 1.847 1.00 0.00 O ATOM 1066 CB SER 1 77 -0.240 -1.098 1.270 1.00 0.00 C ATOM 1067 OG SER 1 77 0.834 -0.190 1.443 1.00 0.00 O ATOM 0 H SER 1 77 0.774 -0.481 3.500 1.00 0.00 H new ATOM 0 HA SER 1 77 -1.856 -1.399 2.661 1.00 0.00 H new ATOM 0 HB2 SER 1 77 0.095 -1.953 0.683 1.00 0.00 H new ATOM 0 HB3 SER 1 77 -1.039 -0.617 0.705 1.00 0.00 H new ATOM 0 HG SER 1 77 1.161 0.100 0.566 1.00 0.00 H new ATOM 1073 N ASP 1 78 -0.048 -3.491 3.937 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.223 -4.898 4.197 1.00 0.00 C ATOM 1075 C ASP 1 78 -0.736 -5.449 5.247 1.00 0.00 C ATOM 1076 O ASP 1 78 -1.025 -4.793 6.247 1.00 0.00 O ATOM 1077 CB ASP 1 78 1.669 -5.084 4.661 1.00 0.00 C ATOM 1078 CG ASP 1 78 2.617 -5.342 3.507 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 2.216 -6.043 2.554 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 3.762 -4.844 3.556 1.00 0.00 O ATOM 0 H ASP 1 78 0.170 -2.868 4.715 1.00 0.00 H new ATOM 0 HA ASP 1 78 0.074 -5.450 3.269 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 1.992 -4.194 5.201 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 1.719 -5.917 5.362 1.00 0.00 H new ATOM 1085 N CYS 1 79 -1.225 -6.659 5.007 1.00 0.00 N ATOM 1086 CA CYS 1 79 -2.153 -7.310 5.923 1.00 0.00 C ATOM 1087 C CYS 1 79 -1.501 -8.533 6.570 1.00 0.00 C ATOM 1088 O CYS 1 79 -1.405 -9.592 5.949 1.00 0.00 O ATOM 1089 CB CYS 1 79 -3.417 -7.725 5.166 1.00 0.00 C ATOM 1090 SG CYS 1 79 -4.934 -6.905 5.753 1.00 0.00 S ATOM 0 H CYS 1 79 -0.993 -7.212 4.182 1.00 0.00 H new ATOM 0 HA CYS 1 79 -2.420 -6.607 6.712 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -3.283 -7.504 4.107 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.543 -8.804 5.253 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.038 -8.408 7.828 1.00 0.00 N ATOM 1096 CA PRO 1 80 -0.391 -9.515 8.545 1.00 0.00 C ATOM 1097 C PRO 1 80 -1.372 -10.627 8.911 1.00 0.00 C ATOM 1098 O PRO 1 80 -2.427 -10.370 9.490 1.00 0.00 O ATOM 1099 CB PRO 1 80 0.155 -8.848 9.809 1.00 0.00 C ATOM 1100 CG PRO 1 80 -0.723 -7.664 10.020 1.00 0.00 C ATOM 1101 CD PRO 1 80 -1.102 -7.183 8.647 1.00 0.00 C ATOM 0 HA PRO 1 80 0.373 -10.000 7.937 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 0.118 -9.526 10.662 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 1.196 -8.552 9.682 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -1.607 -7.932 10.598 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 -0.202 -6.885 10.577 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 -2.099 -6.744 8.636 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 -0.413 -6.420 8.284 1.00 0.00 H new ATOM 1109 N TRP 1 81 -1.015 -11.861 8.562 1.00 0.00 N ATOM 1110 CA TRP 1 81 -1.865 -13.020 8.844 1.00 0.00 C ATOM 1111 C TRP 1 81 -1.486 -13.722 10.143 1.00 0.00 C ATOM 1112 O TRP 1 81 -2.267 -14.505 10.685 1.00 0.00 O ATOM 1113 CB TRP 1 81 -1.829 -14.012 7.684 1.00 0.00 C ATOM 1114 CG TRP 1 81 -0.486 -14.620 7.420 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 0.741 -14.141 7.786 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 -0.246 -15.833 6.712 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 1.726 -14.980 7.331 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 1.143 -16.029 6.670 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -1.079 -16.771 6.107 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 1.716 -17.128 6.041 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 -0.512 -17.864 5.483 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 0.877 -18.034 5.454 1.00 0.00 C ATOM 0 H TRP 1 81 -0.143 -12.086 8.083 1.00 0.00 H new ATOM 0 HA TRP 1 81 -2.880 -12.640 8.963 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -2.541 -14.812 7.886 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -2.167 -13.505 6.780 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 0.910 -13.236 8.350 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 2.728 -14.845 7.463 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -2.151 -16.645 6.126 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 2.787 -17.262 6.017 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -1.149 -18.598 5.011 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 1.294 -18.898 4.958 1.00 0.00 H new ATOM 1133 N ASN 1 82 -0.296 -13.440 10.637 1.00 0.00 N ATOM 1134 CA ASN 1 82 0.182 -14.044 11.875 1.00 0.00 C ATOM 1135 C ASN 1 82 0.226 -15.563 11.760 1.00 0.00 C ATOM 1136 O ASN 1 82 -0.796 -16.234 11.899 1.00 0.00 O ATOM 1137 CB ASN 1 82 -0.723 -13.644 13.040 1.00 0.00 C ATOM 1138 CG ASN 1 82 -0.535 -12.197 13.450 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 0.431 -11.546 13.051 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -1.460 -11.684 14.253 1.00 0.00 N ATOM 0 H ASN 1 82 0.363 -12.795 10.201 1.00 0.00 H new ATOM 0 HA ASN 1 82 1.193 -13.680 12.059 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -1.764 -13.807 12.760 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -0.518 -14.290 13.894 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -1.386 -10.715 14.563 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -2.245 -12.259 14.560 1.00 0.00 H new ATOM 1147 N HIS 1 83 1.414 -16.100 11.506 1.00 0.00 N ATOM 1148 CA HIS 1 83 1.581 -17.541 11.374 1.00 0.00 C ATOM 1149 C HIS 1 83 3.040 -17.943 11.563 1.00 0.00 C ATOM 1150 O HIS 1 83 3.850 -17.069 11.935 1.00 0.00 O ATOM 1151 CB HIS 1 83 1.082 -18.004 10.006 1.00 0.00 C ATOM 1152 CG HIS 1 83 -0.403 -18.161 9.945 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -1.365 -17.333 9.474 1.00 0.00 N flip ATOM 1154 CD2 HIS 1 83 -1.059 -19.275 10.422 1.00 0.00 C flip ATOM 1155 CE1 HIS 1 83 -2.571 -17.956 9.674 1.00 0.00 C flip ATOM 1156 NE2 HIS 1 83 -2.359 -19.126 10.247 1.00 0.00 N flip ATOM 1157 OXT HIS 1 83 3.360 -19.129 11.337 1.00 0.00 O ATOM 0 H HIS 1 83 2.272 -15.561 11.388 1.00 0.00 H new ATOM 0 HA HIS 1 83 0.991 -18.025 12.153 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 1.397 -17.286 9.249 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 1.552 -18.955 9.757 1.00 0.00 H new ATOM 0 HD1 HIS 1 83 -1.220 -16.417 9.050 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -0.584 -20.136 10.869 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -3.537 -17.554 9.406 1.00 0.00 H new ATOM 0 HE2 HIS 1 83 -3.078 -19.800 10.510 1.00 0.00 H new