USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 547 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 73 THR OG1 : rot 180:sc= -0.794 USER MOD Set 1.2: 1 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: 1 68 ASN :FLIP amide:sc= -0.72 F(o=-13,f=-9) USER MOD Set 2.2: 1 83 HIS : no HE2:sc= -8.26! C(o=-9!,f=-12!) USER MOD Set 3.1: 1 30 ASN :FLIP amide:sc= -3.14! C(o=-8.1!,f=-6.3!) USER MOD Set 3.2: 1 33 THR OG1 : rot -140:sc= -3.13! USER MOD Single : 1 1 SER N :NH3+ -135:sc= -1.99! (180deg=-5.04!) USER MOD Single : 1 1 SER OG : rot 180:sc= 0 USER MOD Single : 1 7 ASN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : 1 8 LYS NZ :NH3+ -149:sc= 0.136 (180deg=-0.333) USER MOD Single : 1 12 GLN : amide:sc= -3.9 K(o=-3.9,f=-11!) USER MOD Single : 1 20 SER OG : rot -4:sc= 0.921! USER MOD Single : 1 23 ASN : amide:sc= -1.21 K(o=-1.2,f=-6.9!) USER MOD Single : 1 25 GLN : amide:sc=-0.000245 K(o=-0.00024,f=-1.2) USER MOD Single : 1 35 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0734) USER MOD Single : 1 37 THR OG1 : rot 130:sc= -4.22! USER MOD Single : 1 40 SER OG : rot 122:sc= -0.538 USER MOD Single : 1 41 GLN :FLIP amide:sc= 0.704 F(o=-0.21,f=0.7) USER MOD Single : 1 43 ASN : amide:sc= -0.337 K(o=-0.34,f=-1.6) USER MOD Single : 1 44 TYR OH : rot 180:sc= 0 USER MOD Single : 1 50 GLN : amide:sc= -0.0908 X(o=-0.091,f=0) USER MOD Single : 1 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 58 THR OG1 : rot 80:sc= 0.708 USER MOD Single : 1 71 TYR OH : rot 180:sc= 0 USER MOD Single : 1 76 SER OG : rot 180:sc= 0.155 USER MOD Single : 1 77 SER OG : rot 180:sc= 0.0571 USER MOD Single : 1 82 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 1 N SER 1 1 -4.478 15.755 17.863 1.00 0.00 N ATOM 2 CA SER 1 1 -4.000 17.017 18.493 1.00 0.00 C ATOM 3 C SER 1 1 -2.620 17.417 17.965 1.00 0.00 C ATOM 4 O SER 1 1 -2.421 18.553 17.534 1.00 0.00 O ATOM 5 CB SER 1 1 -3.960 16.827 20.015 1.00 0.00 C ATOM 6 OG SER 1 1 -2.900 17.564 20.602 1.00 0.00 O ATOM 0 H1 SER 1 1 -5.473 15.863 17.581 1.00 0.00 H new ATOM 0 H2 SER 1 1 -3.901 15.546 17.023 1.00 0.00 H new ATOM 0 H3 SER 1 1 -4.394 14.973 18.544 1.00 0.00 H new ATOM 0 HA SER 1 1 -4.689 17.823 18.239 1.00 0.00 H new ATOM 0 HB2 SER 1 1 -4.909 17.144 20.448 1.00 0.00 H new ATOM 0 HB3 SER 1 1 -3.842 15.769 20.248 1.00 0.00 H new ATOM 0 HG SER 1 1 -2.902 17.424 21.572 1.00 0.00 H new ATOM 14 N PRO 1 2 -1.646 16.489 17.990 1.00 0.00 N ATOM 15 CA PRO 1 2 -0.287 16.761 17.509 1.00 0.00 C ATOM 16 C PRO 1 2 -0.277 17.423 16.131 1.00 0.00 C ATOM 17 O PRO 1 2 -1.321 17.562 15.493 1.00 0.00 O ATOM 18 CB PRO 1 2 0.351 15.374 17.450 1.00 0.00 C ATOM 19 CG PRO 1 2 -0.379 14.581 18.477 1.00 0.00 C ATOM 20 CD PRO 1 2 -1.789 15.106 18.486 1.00 0.00 C ATOM 0 HA PRO 1 2 0.244 17.459 18.156 1.00 0.00 H new ATOM 0 HB2 PRO 1 2 0.247 14.931 16.459 1.00 0.00 H new ATOM 0 HB3 PRO 1 2 1.418 15.419 17.668 1.00 0.00 H new ATOM 0 HG2 PRO 1 2 -0.360 13.518 18.235 1.00 0.00 H new ATOM 0 HG3 PRO 1 2 0.084 14.692 19.457 1.00 0.00 H new ATOM 0 HD2 PRO 1 2 -2.441 14.515 17.843 1.00 0.00 H new ATOM 0 HD3 PRO 1 2 -2.220 15.081 19.487 1.00 0.00 H new ATOM 28 N PRO 1 3 0.905 17.859 15.661 1.00 0.00 N ATOM 29 CA PRO 1 3 1.048 18.528 14.365 1.00 0.00 C ATOM 30 C PRO 1 3 1.061 17.580 13.181 1.00 0.00 C ATOM 31 O PRO 1 3 1.816 16.609 13.142 1.00 0.00 O ATOM 32 CB PRO 1 3 2.395 19.235 14.495 1.00 0.00 C ATOM 33 CG PRO 1 3 3.185 18.366 15.411 1.00 0.00 C ATOM 34 CD PRO 1 3 2.197 17.752 16.370 1.00 0.00 C ATOM 0 HA PRO 1 3 0.203 19.187 14.164 1.00 0.00 H new ATOM 0 HB2 PRO 1 3 2.884 19.339 13.526 1.00 0.00 H new ATOM 0 HB3 PRO 1 3 2.279 20.239 14.903 1.00 0.00 H new ATOM 0 HG2 PRO 1 3 3.716 17.595 14.853 1.00 0.00 H new ATOM 0 HG3 PRO 1 3 3.936 18.947 15.946 1.00 0.00 H new ATOM 0 HD2 PRO 1 3 2.447 16.715 16.592 1.00 0.00 H new ATOM 0 HD3 PRO 1 3 2.177 18.286 17.320 1.00 0.00 H new ATOM 42 N VAL 1 4 0.224 17.900 12.202 1.00 0.00 N ATOM 43 CA VAL 1 4 0.120 17.135 10.993 1.00 0.00 C ATOM 44 C VAL 1 4 1.309 17.446 10.096 1.00 0.00 C ATOM 45 O VAL 1 4 1.271 18.382 9.298 1.00 0.00 O ATOM 46 CB VAL 1 4 -1.197 17.446 10.244 1.00 0.00 C ATOM 47 CG1 VAL 1 4 -1.797 16.175 9.677 1.00 0.00 C ATOM 48 CG2 VAL 1 4 -2.208 18.139 11.150 1.00 0.00 C ATOM 0 H VAL 1 4 -0.401 18.706 12.237 1.00 0.00 H new ATOM 0 HA VAL 1 4 0.117 16.077 11.253 1.00 0.00 H new ATOM 0 HB VAL 1 4 -0.956 18.125 9.426 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 -2.723 16.412 9.153 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 -1.093 15.719 8.981 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 -2.007 15.478 10.489 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 -3.120 18.342 10.589 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 -2.439 17.494 11.998 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 -1.789 19.078 11.512 1.00 0.00 H new ATOM 58 N CYS 1 5 2.374 16.667 10.247 1.00 0.00 N ATOM 59 CA CYS 1 5 3.584 16.885 9.454 1.00 0.00 C ATOM 60 C CYS 1 5 3.299 16.572 7.992 1.00 0.00 C ATOM 61 O CYS 1 5 3.316 15.414 7.574 1.00 0.00 O ATOM 62 CB CYS 1 5 4.771 16.027 9.949 1.00 0.00 C ATOM 63 SG CYS 1 5 4.530 15.177 11.552 1.00 0.00 S ATOM 0 H CYS 1 5 2.428 15.887 10.902 1.00 0.00 H new ATOM 0 HA CYS 1 5 3.868 17.931 9.567 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 4.992 15.276 9.191 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 5.649 16.668 10.028 1.00 0.00 H new ATOM 68 N GLY 1 6 3.016 17.622 7.226 1.00 0.00 N ATOM 69 CA GLY 1 6 2.702 17.461 5.820 1.00 0.00 C ATOM 70 C GLY 1 6 1.203 17.399 5.574 1.00 0.00 C ATOM 71 O GLY 1 6 0.762 16.974 4.506 1.00 0.00 O ATOM 0 H GLY 1 6 2.999 18.586 7.558 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 3.128 18.291 5.256 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 3.169 16.549 5.447 1.00 0.00 H new ATOM 75 N ASN 1 7 0.421 17.818 6.570 1.00 0.00 N ATOM 76 CA ASN 1 7 -1.037 17.803 6.468 1.00 0.00 C ATOM 77 C ASN 1 7 -1.541 16.379 6.277 1.00 0.00 C ATOM 78 O ASN 1 7 -0.974 15.610 5.501 1.00 0.00 O ATOM 79 CB ASN 1 7 -1.510 18.684 5.309 1.00 0.00 C ATOM 80 CG ASN 1 7 -1.839 20.096 5.752 1.00 0.00 C ATOM 81 OD1 ASN 1 7 -1.140 20.677 6.582 1.00 0.00 O ATOM 82 ND2 ASN 1 7 -2.909 20.655 5.200 1.00 0.00 N ATOM 0 H ASN 1 7 0.775 18.173 7.458 1.00 0.00 H new ATOM 0 HA ASN 1 7 -1.445 18.202 7.396 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 -0.736 18.718 4.543 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 -2.392 18.235 4.852 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 -3.180 21.603 5.460 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 -3.460 20.136 4.516 1.00 0.00 H new ATOM 89 N LYS 1 8 -2.602 16.026 6.998 1.00 0.00 N ATOM 90 CA LYS 1 8 -3.169 14.683 6.915 1.00 0.00 C ATOM 91 C LYS 1 8 -3.295 14.244 5.467 1.00 0.00 C ATOM 92 O LYS 1 8 -4.202 14.681 4.759 1.00 0.00 O ATOM 93 CB LYS 1 8 -4.538 14.632 7.594 1.00 0.00 C ATOM 94 CG LYS 1 8 -4.904 13.252 8.121 1.00 0.00 C ATOM 95 CD LYS 1 8 -4.811 12.189 7.035 1.00 0.00 C ATOM 96 CE LYS 1 8 -5.747 11.025 7.314 1.00 0.00 C ATOM 97 NZ LYS 1 8 -5.788 10.061 6.180 1.00 0.00 N ATOM 0 H LYS 1 8 -3.085 16.649 7.645 1.00 0.00 H new ATOM 0 HA LYS 1 8 -2.495 14.000 7.432 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 -4.552 15.343 8.420 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 -5.299 14.954 6.884 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 -4.240 12.989 8.944 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 -5.917 13.273 8.523 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 -5.056 12.631 6.069 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 -3.786 11.825 6.968 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 -5.424 10.508 8.218 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 -6.751 11.404 7.505 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 -6.728 9.619 6.134 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 -5.597 10.564 5.290 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 -5.067 9.325 6.323 1.00 0.00 H new ATOM 111 N ILE 1 9 -2.374 13.386 5.027 1.00 0.00 N ATOM 112 CA ILE 1 9 -2.399 12.906 3.639 1.00 0.00 C ATOM 113 C ILE 1 9 -3.826 12.604 3.204 1.00 0.00 C ATOM 114 O ILE 1 9 -4.558 11.886 3.884 1.00 0.00 O ATOM 115 CB ILE 1 9 -1.523 11.656 3.396 1.00 0.00 C ATOM 116 CG1 ILE 1 9 -1.528 10.719 4.606 1.00 0.00 C ATOM 117 CG2 ILE 1 9 -0.101 12.071 3.039 1.00 0.00 C ATOM 118 CD1 ILE 1 9 -2.651 9.706 4.584 1.00 0.00 C ATOM 0 H ILE 1 9 -1.614 13.013 5.596 1.00 0.00 H new ATOM 0 HA ILE 1 9 -1.978 13.715 3.042 1.00 0.00 H new ATOM 0 HB ILE 1 9 -1.950 11.105 2.558 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 -0.575 10.192 4.650 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 -1.605 11.315 5.516 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 0.506 11.182 2.870 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 -0.115 12.678 2.134 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 0.325 12.651 3.858 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 -2.591 9.077 5.472 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 -3.609 10.225 4.571 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 -2.563 9.085 3.693 1.00 0.00 H new ATOM 130 N LEU 1 10 -4.222 13.189 2.086 1.00 0.00 N ATOM 131 CA LEU 1 10 -5.573 13.017 1.576 1.00 0.00 C ATOM 132 C LEU 1 10 -5.719 11.776 0.705 1.00 0.00 C ATOM 133 O LEU 1 10 -6.746 11.588 0.054 1.00 0.00 O ATOM 134 CB LEU 1 10 -6.007 14.264 0.800 1.00 0.00 C ATOM 135 CG LEU 1 10 -4.985 14.823 -0.203 1.00 0.00 C ATOM 136 CD1 LEU 1 10 -4.031 15.793 0.483 1.00 0.00 C ATOM 137 CD2 LEU 1 10 -4.214 13.704 -0.895 1.00 0.00 C ATOM 0 H LEU 1 10 -3.627 13.788 1.513 1.00 0.00 H new ATOM 0 HA LEU 1 10 -6.225 12.877 2.439 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 -6.925 14.031 0.261 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 -6.249 15.048 1.517 1.00 0.00 H new ATOM 0 HG LEU 1 10 -5.536 15.367 -0.970 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 -3.316 16.177 -0.245 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 -4.598 16.622 0.907 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 -3.496 15.275 1.279 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 -3.500 14.134 -1.597 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 -3.680 13.115 -0.149 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 -4.910 13.061 -1.434 1.00 0.00 H new ATOM 149 N GLU 1 11 -4.703 10.926 0.705 1.00 0.00 N ATOM 150 CA GLU 1 11 -4.749 9.697 -0.088 1.00 0.00 C ATOM 151 C GLU 1 11 -3.461 8.876 0.005 1.00 0.00 C ATOM 152 O GLU 1 11 -3.150 8.122 -0.918 1.00 0.00 O ATOM 153 CB GLU 1 11 -5.027 10.023 -1.559 1.00 0.00 C ATOM 154 CG GLU 1 11 -3.975 10.918 -2.192 1.00 0.00 C ATOM 155 CD GLU 1 11 -3.013 10.151 -3.078 1.00 0.00 C ATOM 156 OE1 GLU 1 11 -3.427 9.120 -3.650 1.00 0.00 O ATOM 157 OE2 GLU 1 11 -1.847 10.581 -3.202 1.00 0.00 O ATOM 0 H GLU 1 11 -3.843 11.058 1.238 1.00 0.00 H new ATOM 0 HA GLU 1 11 -5.556 9.095 0.329 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 -5.088 9.093 -2.124 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 -6.000 10.508 -1.638 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 -4.468 11.691 -2.781 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 -3.414 11.425 -1.407 1.00 0.00 H new ATOM 164 N GLN 1 12 -2.711 9.000 1.101 1.00 0.00 N ATOM 165 CA GLN 1 12 -1.477 8.229 1.235 1.00 0.00 C ATOM 166 C GLN 1 12 -0.814 8.375 2.607 1.00 0.00 C ATOM 167 O GLN 1 12 -0.024 9.290 2.832 1.00 0.00 O ATOM 168 CB GLN 1 12 -0.491 8.631 0.138 1.00 0.00 C ATOM 169 CG GLN 1 12 0.071 10.039 0.290 1.00 0.00 C ATOM 170 CD GLN 1 12 0.480 10.649 -1.037 1.00 0.00 C ATOM 171 OE1 GLN 1 12 1.443 10.209 -1.665 1.00 0.00 O ATOM 172 NE2 GLN 1 12 -0.251 11.669 -1.470 1.00 0.00 N ATOM 0 H GLN 1 12 -2.929 9.610 1.889 1.00 0.00 H new ATOM 0 HA GLN 1 12 -1.754 7.180 1.132 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 0.336 7.921 0.130 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 -0.988 8.553 -0.829 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 -0.676 10.676 0.764 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 0.934 10.012 0.955 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 -1.041 12.001 -0.917 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 -0.023 12.120 -2.356 1.00 0.00 H new ATOM 181 N GLY 1 13 -1.113 7.437 3.509 1.00 0.00 N ATOM 182 CA GLY 1 13 -0.513 7.448 4.837 1.00 0.00 C ATOM 183 C GLY 1 13 0.742 6.595 4.887 1.00 0.00 C ATOM 184 O GLY 1 13 1.018 5.922 5.880 1.00 0.00 O ATOM 0 H GLY 1 13 -1.762 6.668 3.342 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 -0.270 8.472 5.119 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 -1.234 7.079 5.566 1.00 0.00 H new ATOM 188 N GLU 1 14 1.488 6.627 3.789 1.00 0.00 N ATOM 189 CA GLU 1 14 2.724 5.868 3.629 1.00 0.00 C ATOM 190 C GLU 1 14 3.167 6.010 2.190 1.00 0.00 C ATOM 191 O GLU 1 14 3.268 5.040 1.440 1.00 0.00 O ATOM 192 CB GLU 1 14 2.516 4.395 3.985 1.00 0.00 C ATOM 193 CG GLU 1 14 3.642 3.806 4.813 1.00 0.00 C ATOM 194 CD GLU 1 14 3.163 2.720 5.755 1.00 0.00 C ATOM 195 OE1 GLU 1 14 2.734 3.056 6.879 1.00 0.00 O ATOM 196 OE2 GLU 1 14 3.214 1.533 5.369 1.00 0.00 O ATOM 0 H GLU 1 14 1.248 7.189 2.972 1.00 0.00 H new ATOM 0 HA GLU 1 14 3.488 6.254 4.303 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 1.580 4.291 4.534 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 2.412 3.819 3.066 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 4.402 3.396 4.148 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 4.118 4.599 5.390 1.00 0.00 H new ATOM 203 N ASP 1 15 3.388 7.253 1.816 1.00 0.00 N ATOM 204 CA ASP 1 15 3.783 7.602 0.470 1.00 0.00 C ATOM 205 C ASP 1 15 4.551 8.906 0.489 1.00 0.00 C ATOM 206 O ASP 1 15 5.595 9.032 -0.150 1.00 0.00 O ATOM 207 CB ASP 1 15 2.542 7.749 -0.403 1.00 0.00 C ATOM 208 CG ASP 1 15 2.877 7.881 -1.876 1.00 0.00 C ATOM 209 OD1 ASP 1 15 3.503 8.894 -2.254 1.00 0.00 O ATOM 210 OD2 ASP 1 15 2.512 6.973 -2.652 1.00 0.00 O ATOM 0 H ASP 1 15 3.298 8.053 2.442 1.00 0.00 H new ATOM 0 HA ASP 1 15 4.419 6.816 0.063 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 1.895 6.884 -0.257 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 1.979 8.625 -0.082 1.00 0.00 H new ATOM 215 N CYS 1 16 4.020 9.875 1.236 1.00 0.00 N ATOM 216 CA CYS 1 16 4.647 11.182 1.360 1.00 0.00 C ATOM 217 C CYS 1 16 3.668 12.225 1.895 1.00 0.00 C ATOM 218 O CYS 1 16 2.604 12.456 1.319 1.00 0.00 O ATOM 219 CB CYS 1 16 5.222 11.624 0.011 1.00 0.00 C ATOM 220 SG CYS 1 16 5.458 13.427 -0.170 1.00 0.00 S ATOM 0 H CYS 1 16 3.153 9.774 1.764 1.00 0.00 H new ATOM 0 HA CYS 1 16 5.461 11.096 2.080 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 6.182 11.130 -0.138 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 4.559 11.278 -0.782 1.00 0.00 H new ATOM 225 N ASP 1 17 4.060 12.854 3.000 1.00 0.00 N ATOM 226 CA ASP 1 17 3.267 13.895 3.652 1.00 0.00 C ATOM 227 C ASP 1 17 2.189 13.292 4.541 1.00 0.00 C ATOM 228 O ASP 1 17 1.099 13.849 4.666 1.00 0.00 O ATOM 229 CB ASP 1 17 2.635 14.836 2.616 1.00 0.00 C ATOM 230 CG ASP 1 17 2.984 16.290 2.867 1.00 0.00 C ATOM 231 OD1 ASP 1 17 4.064 16.552 3.437 1.00 0.00 O ATOM 232 OD2 ASP 1 17 2.179 17.167 2.489 1.00 0.00 O ATOM 0 H ASP 1 17 4.942 12.655 3.472 1.00 0.00 H new ATOM 0 HA ASP 1 17 3.943 14.475 4.280 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 2.970 14.552 1.619 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 1.552 14.717 2.634 1.00 0.00 H new ATOM 237 N CYS 1 18 2.502 12.149 5.161 1.00 0.00 N ATOM 238 CA CYS 1 18 1.556 11.460 6.042 1.00 0.00 C ATOM 239 C CYS 1 18 0.706 12.442 6.835 1.00 0.00 C ATOM 240 O CYS 1 18 -0.467 12.183 7.093 1.00 0.00 O ATOM 241 CB CYS 1 18 2.287 10.522 7.007 1.00 0.00 C ATOM 242 SG CYS 1 18 1.659 8.812 6.972 1.00 0.00 S ATOM 0 H CYS 1 18 3.404 11.682 5.068 1.00 0.00 H new ATOM 0 HA CYS 1 18 0.898 10.873 5.401 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 3.349 10.516 6.761 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 2.197 10.913 8.020 1.00 0.00 H new ATOM 247 N GLY 1 19 1.303 13.566 7.215 1.00 0.00 N ATOM 248 CA GLY 1 19 0.576 14.559 7.974 1.00 0.00 C ATOM 249 C GLY 1 19 0.109 14.033 9.304 1.00 0.00 C ATOM 250 O GLY 1 19 0.585 14.474 10.342 1.00 0.00 O ATOM 0 H GLY 1 19 2.274 13.804 7.011 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 1.213 15.429 8.133 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 -0.285 14.896 7.397 1.00 0.00 H new ATOM 254 N SER 1 20 -0.831 13.096 9.279 1.00 0.00 N ATOM 255 CA SER 1 20 -1.367 12.544 10.507 1.00 0.00 C ATOM 256 C SER 1 20 -0.246 12.093 11.431 1.00 0.00 C ATOM 257 O SER 1 20 0.369 11.046 11.231 1.00 0.00 O ATOM 258 CB SER 1 20 -2.316 11.393 10.211 1.00 0.00 C ATOM 259 OG SER 1 20 -1.613 10.177 10.023 1.00 0.00 O ATOM 0 H SER 1 20 -1.233 12.708 8.426 1.00 0.00 H new ATOM 0 HA SER 1 20 -1.930 13.328 11.014 1.00 0.00 H new ATOM 0 HB2 SER 1 20 -3.023 11.282 11.033 1.00 0.00 H new ATOM 0 HB3 SER 1 20 -2.898 11.620 9.318 1.00 0.00 H new ATOM 0 HG SER 1 20 -0.649 10.349 10.054 1.00 0.00 H new ATOM 265 N PRO 1 21 0.042 12.915 12.450 1.00 0.00 N ATOM 266 CA PRO 1 21 1.104 12.650 13.413 1.00 0.00 C ATOM 267 C PRO 1 21 1.009 11.256 14.014 1.00 0.00 C ATOM 268 O PRO 1 21 2.019 10.671 14.405 1.00 0.00 O ATOM 269 CB PRO 1 21 0.920 13.728 14.491 1.00 0.00 C ATOM 270 CG PRO 1 21 -0.364 14.427 14.172 1.00 0.00 C ATOM 271 CD PRO 1 21 -0.642 14.184 12.721 1.00 0.00 C ATOM 0 HA PRO 1 21 2.086 12.685 12.942 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 0.883 13.282 15.485 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 1.755 14.428 14.487 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 -1.176 14.044 14.790 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 -0.284 15.495 14.376 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 -1.712 14.114 12.523 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 -0.255 14.990 12.098 1.00 0.00 H new ATOM 279 N ALA 1 22 -0.204 10.715 14.070 1.00 0.00 N ATOM 280 CA ALA 1 22 -0.406 9.375 14.607 1.00 0.00 C ATOM 281 C ALA 1 22 0.518 8.383 13.906 1.00 0.00 C ATOM 282 O ALA 1 22 0.870 7.341 14.459 1.00 0.00 O ATOM 283 CB ALA 1 22 -1.859 8.954 14.450 1.00 0.00 C ATOM 0 H ALA 1 22 -1.055 11.180 13.753 1.00 0.00 H new ATOM 0 HA ALA 1 22 -0.165 9.384 15.670 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 -1.993 7.951 14.856 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 -2.500 9.652 14.988 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 -2.126 8.957 13.393 1.00 0.00 H new ATOM 289 N ASN 1 23 0.909 8.726 12.680 1.00 0.00 N ATOM 290 CA ASN 1 23 1.795 7.886 11.887 1.00 0.00 C ATOM 291 C ASN 1 23 3.130 8.590 11.621 1.00 0.00 C ATOM 292 O ASN 1 23 4.128 7.942 11.304 1.00 0.00 O ATOM 293 CB ASN 1 23 1.119 7.519 10.565 1.00 0.00 C ATOM 294 CG ASN 1 23 -0.304 7.033 10.758 1.00 0.00 C ATOM 295 OD1 ASN 1 23 -0.777 6.893 11.886 1.00 0.00 O ATOM 296 ND2 ASN 1 23 -0.995 6.772 9.654 1.00 0.00 N ATOM 0 H ASN 1 23 0.622 9.587 12.214 1.00 0.00 H new ATOM 0 HA ASN 1 23 2.000 6.976 12.451 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 1.117 8.388 9.908 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 1.700 6.744 10.066 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 -1.958 6.441 9.721 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 -0.563 6.902 8.739 1.00 0.00 H new ATOM 303 N CYS 1 24 3.143 9.918 11.755 1.00 0.00 N ATOM 304 CA CYS 1 24 4.356 10.707 11.532 1.00 0.00 C ATOM 305 C CYS 1 24 5.504 10.189 12.392 1.00 0.00 C ATOM 306 O CYS 1 24 5.613 10.527 13.570 1.00 0.00 O ATOM 307 CB CYS 1 24 4.086 12.185 11.847 1.00 0.00 C ATOM 308 SG CYS 1 24 5.381 13.346 11.292 1.00 0.00 S ATOM 0 H CYS 1 24 2.326 10.470 12.017 1.00 0.00 H new ATOM 0 HA CYS 1 24 4.642 10.611 10.485 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 3.141 12.472 11.385 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 3.960 12.293 12.924 1.00 0.00 H new ATOM 313 N GLN 1 25 6.355 9.361 11.794 1.00 0.00 N ATOM 314 CA GLN 1 25 7.493 8.789 12.503 1.00 0.00 C ATOM 315 C GLN 1 25 7.022 7.938 13.678 1.00 0.00 C ATOM 316 O GLN 1 25 7.650 7.920 14.736 1.00 0.00 O ATOM 317 CB GLN 1 25 8.424 9.897 12.999 1.00 0.00 C ATOM 318 CG GLN 1 25 9.338 10.452 11.919 1.00 0.00 C ATOM 319 CD GLN 1 25 10.367 11.422 12.467 1.00 0.00 C ATOM 320 OE1 GLN 1 25 10.650 11.433 13.665 1.00 0.00 O ATOM 321 NE2 GLN 1 25 10.932 12.243 11.590 1.00 0.00 N ATOM 0 H GLN 1 25 6.277 9.071 10.819 1.00 0.00 H new ATOM 0 HA GLN 1 25 8.041 8.152 11.809 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 7.823 10.709 13.408 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 9.033 9.510 13.815 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 9.850 9.628 11.422 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 8.736 10.956 11.162 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 10.667 12.199 10.606 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 11.631 12.918 11.900 1.00 0.00 H new ATOM 330 N ASP 1 26 5.909 7.236 13.483 1.00 0.00 N ATOM 331 CA ASP 1 26 5.351 6.384 14.527 1.00 0.00 C ATOM 332 C ASP 1 26 4.957 5.020 13.969 1.00 0.00 C ATOM 333 O ASP 1 26 5.500 3.993 14.376 1.00 0.00 O ATOM 334 CB ASP 1 26 4.135 7.057 15.165 1.00 0.00 C ATOM 335 CG ASP 1 26 3.931 6.634 16.607 1.00 0.00 C ATOM 336 OD1 ASP 1 26 4.937 6.349 17.290 1.00 0.00 O ATOM 337 OD2 ASP 1 26 2.766 6.589 17.054 1.00 0.00 O ATOM 0 H ASP 1 26 5.377 7.241 12.613 1.00 0.00 H new ATOM 0 HA ASP 1 26 6.118 6.235 15.287 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 4.257 8.139 15.120 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 3.243 6.813 14.588 1.00 0.00 H new ATOM 342 N ARG 1 27 4.007 5.015 13.038 1.00 0.00 N ATOM 343 CA ARG 1 27 3.542 3.772 12.431 1.00 0.00 C ATOM 344 C ARG 1 27 4.574 3.227 11.441 1.00 0.00 C ATOM 345 O ARG 1 27 5.535 2.570 11.842 1.00 0.00 O ATOM 346 CB ARG 1 27 2.185 3.989 11.750 1.00 0.00 C ATOM 347 CG ARG 1 27 1.679 2.772 10.991 1.00 0.00 C ATOM 348 CD ARG 1 27 0.163 2.680 11.033 1.00 0.00 C ATOM 349 NE ARG 1 27 -0.360 1.774 10.013 1.00 0.00 N ATOM 350 CZ ARG 1 27 -0.324 0.447 10.112 1.00 0.00 C ATOM 351 NH1 ARG 1 27 0.207 -0.132 11.182 1.00 0.00 N ATOM 352 NH2 ARG 1 27 -0.822 -0.303 9.139 1.00 0.00 N ATOM 0 H ARG 1 27 3.546 5.855 12.689 1.00 0.00 H new ATOM 0 HA ARG 1 27 3.416 3.029 13.218 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 1.450 4.266 12.505 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 2.265 4.829 11.060 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 2.013 2.824 9.955 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 2.111 1.868 11.421 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 -0.152 2.337 12.018 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 -0.264 3.672 10.890 1.00 0.00 H new ATOM 0 HE ARG 1 27 -0.777 2.182 9.176 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 0.590 0.440 11.934 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 0.232 -1.149 11.252 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 -1.232 0.137 8.315 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 -0.795 -1.320 9.214 1.00 0.00 H new ATOM 366 N CYS 1 28 4.381 3.500 10.152 1.00 0.00 N ATOM 367 CA CYS 1 28 5.307 3.030 9.128 1.00 0.00 C ATOM 368 C CYS 1 28 5.363 4.011 7.963 1.00 0.00 C ATOM 369 O CYS 1 28 5.516 3.609 6.810 1.00 0.00 O ATOM 370 CB CYS 1 28 4.908 1.640 8.611 1.00 0.00 C ATOM 371 SG CYS 1 28 3.851 0.670 9.737 1.00 0.00 S ATOM 0 H CYS 1 28 3.594 4.042 9.795 1.00 0.00 H new ATOM 0 HA CYS 1 28 6.293 2.960 9.587 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 4.387 1.759 7.661 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 5.815 1.071 8.408 1.00 0.00 H new ATOM 376 N CYS 1 29 5.237 5.298 8.266 1.00 0.00 N ATOM 377 CA CYS 1 29 5.273 6.321 7.228 1.00 0.00 C ATOM 378 C CYS 1 29 6.065 7.547 7.665 1.00 0.00 C ATOM 379 O CYS 1 29 6.321 7.755 8.851 1.00 0.00 O ATOM 380 CB CYS 1 29 3.853 6.731 6.838 1.00 0.00 C ATOM 381 SG CYS 1 29 3.012 7.776 8.069 1.00 0.00 S ATOM 0 H CYS 1 29 5.110 5.655 9.213 1.00 0.00 H new ATOM 0 HA CYS 1 29 5.777 5.889 6.363 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 3.889 7.265 5.889 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 3.259 5.832 6.675 1.00 0.00 H new ATOM 386 N ASN 1 30 6.443 8.352 6.682 1.00 0.00 N ATOM 387 CA ASN 1 30 7.202 9.566 6.917 1.00 0.00 C ATOM 388 C ASN 1 30 6.377 10.790 6.580 1.00 0.00 C ATOM 389 O ASN 1 30 6.314 11.221 5.429 1.00 0.00 O ATOM 390 CB ASN 1 30 8.485 9.561 6.088 1.00 0.00 C ATOM 391 CG ASN 1 30 9.594 8.775 6.750 1.00 0.00 C ATOM 392 OD1 ASN 1 30 9.778 9.001 8.041 1.00 0.00 O flip ATOM 393 ND2 ASN 1 30 10.278 7.976 6.110 1.00 0.00 N flip ATOM 0 H ASN 1 30 6.231 8.179 5.699 1.00 0.00 H new ATOM 0 HA ASN 1 30 7.462 9.602 7.975 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 8.278 9.136 5.106 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 8.816 10.587 5.928 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 10.100 7.834 5.116 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 11.023 7.456 6.574 1.00 0.00 H new ATOM 400 N ALA 1 31 5.777 11.360 7.605 1.00 0.00 N ATOM 401 CA ALA 1 31 4.981 12.563 7.445 1.00 0.00 C ATOM 402 C ALA 1 31 5.914 13.761 7.390 1.00 0.00 C ATOM 403 O ALA 1 31 5.586 14.804 6.825 1.00 0.00 O ATOM 404 CB ALA 1 31 3.979 12.702 8.585 1.00 0.00 C ATOM 0 H ALA 1 31 5.825 11.009 8.562 1.00 0.00 H new ATOM 0 HA ALA 1 31 4.411 12.506 6.518 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 3.393 13.610 8.445 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 3.314 11.838 8.592 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 4.513 12.757 9.534 1.00 0.00 H new ATOM 410 N ALA 1 32 7.096 13.582 7.975 1.00 0.00 N ATOM 411 CA ALA 1 32 8.111 14.622 7.993 1.00 0.00 C ATOM 412 C ALA 1 32 9.213 14.332 6.979 1.00 0.00 C ATOM 413 O ALA 1 32 10.195 15.069 6.894 1.00 0.00 O ATOM 414 CB ALA 1 32 8.707 14.746 9.387 1.00 0.00 C ATOM 0 H ALA 1 32 7.372 12.719 8.444 1.00 0.00 H new ATOM 0 HA ALA 1 32 7.636 15.564 7.720 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 9.466 15.528 9.390 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 7.921 15.001 10.097 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 9.161 13.798 9.674 1.00 0.00 H new ATOM 420 N THR 1 33 9.066 13.239 6.230 1.00 0.00 N ATOM 421 CA THR 1 33 10.078 12.855 5.255 1.00 0.00 C ATOM 422 C THR 1 33 9.486 12.596 3.870 1.00 0.00 C ATOM 423 O THR 1 33 10.178 12.109 2.976 1.00 0.00 O ATOM 424 CB THR 1 33 10.823 11.621 5.760 1.00 0.00 C ATOM 425 OG1 THR 1 33 10.429 11.309 7.087 1.00 0.00 O ATOM 426 CG2 THR 1 33 12.314 11.797 5.767 1.00 0.00 C ATOM 0 H THR 1 33 8.263 12.612 6.281 1.00 0.00 H new ATOM 0 HA THR 1 33 10.772 13.688 5.146 1.00 0.00 H new ATOM 0 HB THR 1 33 10.564 10.820 5.068 1.00 0.00 H new ATOM 0 HG1 THR 1 33 11.213 11.031 7.604 1.00 0.00 H new ATOM 0 HG21 THR 1 33 12.786 10.886 6.136 1.00 0.00 H new ATOM 0 HG22 THR 1 33 12.661 12.001 4.754 1.00 0.00 H new ATOM 0 HG23 THR 1 33 12.579 12.632 6.416 1.00 0.00 H new ATOM 434 N CYS 1 34 8.216 12.941 3.689 1.00 0.00 N ATOM 435 CA CYS 1 34 7.549 12.763 2.402 1.00 0.00 C ATOM 436 C CYS 1 34 7.797 11.369 1.814 1.00 0.00 C ATOM 437 O CYS 1 34 8.199 11.231 0.660 1.00 0.00 O ATOM 438 CB CYS 1 34 8.009 13.859 1.430 1.00 0.00 C ATOM 439 SG CYS 1 34 7.469 13.648 -0.302 1.00 0.00 S ATOM 0 H CYS 1 34 7.627 13.346 4.417 1.00 0.00 H new ATOM 0 HA CYS 1 34 6.474 12.849 2.560 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 7.643 14.819 1.792 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 9.098 13.905 1.450 1.00 0.00 H new ATOM 444 N LYS 1 35 7.547 10.331 2.609 1.00 0.00 N ATOM 445 CA LYS 1 35 7.733 8.965 2.133 1.00 0.00 C ATOM 446 C LYS 1 35 7.308 7.951 3.177 1.00 0.00 C ATOM 447 O LYS 1 35 6.876 8.307 4.264 1.00 0.00 O ATOM 448 CB LYS 1 35 9.189 8.719 1.761 1.00 0.00 C ATOM 449 CG LYS 1 35 9.440 8.719 0.263 1.00 0.00 C ATOM 450 CD LYS 1 35 9.596 7.306 -0.275 1.00 0.00 C ATOM 451 CE LYS 1 35 11.035 6.825 -0.172 1.00 0.00 C ATOM 452 NZ LYS 1 35 11.221 5.864 0.950 1.00 0.00 N ATOM 0 H LYS 1 35 7.220 10.408 3.572 1.00 0.00 H new ATOM 0 HA LYS 1 35 7.105 8.843 1.250 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 9.809 9.486 2.225 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 9.504 7.761 2.174 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 8.613 9.214 -0.246 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 10.339 9.294 0.044 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 8.945 6.631 0.280 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 9.275 7.275 -1.316 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 11.327 6.350 -1.109 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 11.694 7.681 -0.030 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 12.171 5.445 0.894 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 11.116 6.364 1.856 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 10.506 5.111 0.885 1.00 0.00 H new ATOM 466 N LEU 1 36 7.457 6.681 2.839 1.00 0.00 N ATOM 467 CA LEU 1 36 7.122 5.607 3.767 1.00 0.00 C ATOM 468 C LEU 1 36 8.279 5.417 4.744 1.00 0.00 C ATOM 469 O LEU 1 36 9.229 6.200 4.742 1.00 0.00 O ATOM 470 CB LEU 1 36 6.846 4.294 3.032 1.00 0.00 C ATOM 471 CG LEU 1 36 6.102 4.419 1.703 1.00 0.00 C ATOM 472 CD1 LEU 1 36 7.087 4.562 0.551 1.00 0.00 C ATOM 473 CD2 LEU 1 36 5.202 3.208 1.491 1.00 0.00 C ATOM 0 H LEU 1 36 7.806 6.366 1.934 1.00 0.00 H new ATOM 0 HA LEU 1 36 6.214 5.884 4.303 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 7.798 3.795 2.848 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 6.268 3.645 3.691 1.00 0.00 H new ATOM 0 HG LEU 1 36 5.481 5.314 1.733 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 6.539 4.650 -0.387 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 7.695 5.454 0.701 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 7.733 3.685 0.513 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 4.676 3.307 0.541 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 5.808 2.302 1.478 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 4.477 3.147 2.302 1.00 0.00 H new ATOM 485 N THR 1 37 8.209 4.384 5.577 1.00 0.00 N ATOM 486 CA THR 1 37 9.274 4.129 6.543 1.00 0.00 C ATOM 487 C THR 1 37 10.175 2.986 6.096 1.00 0.00 C ATOM 488 O THR 1 37 9.777 2.139 5.295 1.00 0.00 O ATOM 489 CB THR 1 37 8.697 3.807 7.917 1.00 0.00 C ATOM 490 OG1 THR 1 37 7.700 2.807 7.822 1.00 0.00 O ATOM 491 CG2 THR 1 37 8.093 5.009 8.603 1.00 0.00 C ATOM 0 H THR 1 37 7.438 3.717 5.604 1.00 0.00 H new ATOM 0 HA THR 1 37 9.871 5.039 6.605 1.00 0.00 H new ATOM 0 HB THR 1 37 9.540 3.458 8.514 1.00 0.00 H new ATOM 0 HG1 THR 1 37 7.882 2.101 8.477 1.00 0.00 H new ATOM 0 HG21 THR 1 37 7.700 4.713 9.576 1.00 0.00 H new ATOM 0 HG22 THR 1 37 8.858 5.774 8.738 1.00 0.00 H new ATOM 0 HG23 THR 1 37 7.284 5.409 7.991 1.00 0.00 H new ATOM 499 N PRO 1 38 11.410 2.947 6.624 1.00 0.00 N ATOM 500 CA PRO 1 38 12.384 1.902 6.298 1.00 0.00 C ATOM 501 C PRO 1 38 11.769 0.506 6.325 1.00 0.00 C ATOM 502 O PRO 1 38 11.312 0.039 7.368 1.00 0.00 O ATOM 503 CB PRO 1 38 13.417 2.051 7.412 1.00 0.00 C ATOM 504 CG PRO 1 38 13.388 3.498 7.748 1.00 0.00 C ATOM 505 CD PRO 1 38 11.953 3.921 7.594 1.00 0.00 C ATOM 0 HA PRO 1 38 12.790 2.010 5.292 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 13.162 1.437 8.276 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 14.407 1.739 7.080 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 13.741 3.671 8.765 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 14.038 4.068 7.084 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 11.419 3.883 8.543 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 11.873 4.943 7.224 1.00 0.00 H new ATOM 513 N GLY 1 39 11.761 -0.156 5.173 1.00 0.00 N ATOM 514 CA GLY 1 39 11.199 -1.491 5.090 1.00 0.00 C ATOM 515 C GLY 1 39 9.737 -1.484 4.687 1.00 0.00 C ATOM 516 O GLY 1 39 9.275 -2.387 3.989 1.00 0.00 O ATOM 0 H GLY 1 39 12.133 0.208 4.296 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 11.768 -2.077 4.368 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 11.304 -1.986 6.055 1.00 0.00 H new ATOM 520 N SER 1 40 9.005 -0.464 5.128 1.00 0.00 N ATOM 521 CA SER 1 40 7.588 -0.346 4.808 1.00 0.00 C ATOM 522 C SER 1 40 7.375 -0.285 3.300 1.00 0.00 C ATOM 523 O SER 1 40 8.085 0.428 2.591 1.00 0.00 O ATOM 524 CB SER 1 40 6.996 0.901 5.469 1.00 0.00 C ATOM 525 OG SER 1 40 5.646 1.091 5.083 1.00 0.00 O ATOM 0 H SER 1 40 9.371 0.291 5.707 1.00 0.00 H new ATOM 0 HA SER 1 40 7.079 -1.229 5.194 1.00 0.00 H new ATOM 0 HB2 SER 1 40 7.057 0.806 6.553 1.00 0.00 H new ATOM 0 HB3 SER 1 40 7.583 1.777 5.192 1.00 0.00 H new ATOM 0 HG SER 1 40 5.076 1.103 5.880 1.00 0.00 H new ATOM 531 N GLN 1 41 6.395 -1.040 2.815 1.00 0.00 N ATOM 532 CA GLN 1 41 6.092 -1.072 1.389 1.00 0.00 C ATOM 533 C GLN 1 41 4.967 -0.101 1.048 1.00 0.00 C ATOM 534 O GLN 1 41 5.095 0.715 0.135 1.00 0.00 O ATOM 535 CB GLN 1 41 5.706 -2.489 0.961 1.00 0.00 C ATOM 536 CG GLN 1 41 6.754 -3.535 1.304 1.00 0.00 C ATOM 537 CD GLN 1 41 8.127 -3.183 0.768 1.00 0.00 C ATOM 538 OE1 GLN 1 41 8.234 -3.057 -0.550 1.00 0.00 O flip ATOM 539 NE2 GLN 1 41 9.082 -3.024 1.528 1.00 0.00 N flip ATOM 0 H GLN 1 41 5.798 -1.637 3.387 1.00 0.00 H new ATOM 0 HA GLN 1 41 6.987 -0.766 0.846 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 4.764 -2.760 1.439 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 5.532 -2.500 -0.115 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 6.809 -3.647 2.387 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 6.446 -4.499 0.899 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 8.956 -3.130 2.535 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 9.999 -2.786 1.151 1.00 0.00 H new ATOM 548 N CYS 1 42 3.863 -0.198 1.781 1.00 0.00 N ATOM 549 CA CYS 1 42 2.715 0.671 1.549 1.00 0.00 C ATOM 550 C CYS 1 42 1.700 0.555 2.676 1.00 0.00 C ATOM 551 O CYS 1 42 1.740 -0.384 3.470 1.00 0.00 O ATOM 552 CB CYS 1 42 2.043 0.312 0.221 1.00 0.00 C ATOM 553 SG CYS 1 42 1.309 -1.360 0.182 1.00 0.00 S ATOM 0 H CYS 1 42 3.739 -0.868 2.540 1.00 0.00 H new ATOM 0 HA CYS 1 42 3.077 1.699 1.512 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 1.263 1.044 0.012 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 2.779 0.392 -0.579 1.00 0.00 H new ATOM 558 N ASN 1 43 0.769 1.500 2.717 1.00 0.00 N ATOM 559 CA ASN 1 43 -0.285 1.491 3.722 1.00 0.00 C ATOM 560 C ASN 1 43 -1.625 1.146 3.071 1.00 0.00 C ATOM 561 O ASN 1 43 -2.540 0.654 3.731 1.00 0.00 O ATOM 562 CB ASN 1 43 -0.369 2.847 4.431 1.00 0.00 C ATOM 563 CG ASN 1 43 -1.622 2.994 5.276 1.00 0.00 C ATOM 564 OD1 ASN 1 43 -2.719 3.184 4.751 1.00 0.00 O ATOM 565 ND2 ASN 1 43 -1.462 2.908 6.591 1.00 0.00 N ATOM 0 H ASN 1 43 0.723 2.283 2.065 1.00 0.00 H new ATOM 0 HA ASN 1 43 -0.048 0.732 4.467 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 0.508 2.975 5.065 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 -0.343 3.643 3.687 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 -2.268 3.000 7.210 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 -0.534 2.750 6.983 1.00 0.00 H new ATOM 572 N TYR 1 44 -1.724 1.401 1.767 1.00 0.00 N ATOM 573 CA TYR 1 44 -2.940 1.114 1.016 1.00 0.00 C ATOM 574 C TYR 1 44 -2.596 0.609 -0.386 1.00 0.00 C ATOM 575 O TYR 1 44 -1.517 0.891 -0.908 1.00 0.00 O ATOM 576 CB TYR 1 44 -3.821 2.367 0.930 1.00 0.00 C ATOM 577 CG TYR 1 44 -3.406 3.337 -0.157 1.00 0.00 C ATOM 578 CD1 TYR 1 44 -3.773 3.121 -1.479 1.00 0.00 C ATOM 579 CD2 TYR 1 44 -2.647 4.463 0.138 1.00 0.00 C ATOM 580 CE1 TYR 1 44 -3.396 3.998 -2.476 1.00 0.00 C ATOM 581 CE2 TYR 1 44 -2.265 5.345 -0.855 1.00 0.00 C ATOM 582 CZ TYR 1 44 -2.642 5.108 -2.160 1.00 0.00 C ATOM 583 OH TYR 1 44 -2.264 5.984 -3.151 1.00 0.00 O ATOM 0 H TYR 1 44 -0.973 1.807 1.209 1.00 0.00 H new ATOM 0 HA TYR 1 44 -3.494 0.334 1.538 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 -4.853 2.062 0.756 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 -3.798 2.882 1.891 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 -4.363 2.252 -1.731 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 -2.351 4.652 1.159 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 -3.690 3.815 -3.499 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 -1.674 6.215 -0.610 1.00 0.00 H new ATOM 0 HH TYR 1 44 -1.738 6.713 -2.760 1.00 0.00 H new ATOM 593 N GLY 1 45 -3.517 -0.133 -0.993 1.00 0.00 N ATOM 594 CA GLY 1 45 -3.285 -0.656 -2.327 1.00 0.00 C ATOM 595 C GLY 1 45 -3.845 -2.052 -2.510 1.00 0.00 C ATOM 596 O GLY 1 45 -4.167 -2.732 -1.536 1.00 0.00 O ATOM 0 H GLY 1 45 -4.419 -0.381 -0.586 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -3.738 0.012 -3.059 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -2.214 -0.669 -2.527 1.00 0.00 H new ATOM 600 N GLU 1 46 -3.959 -2.483 -3.763 1.00 0.00 N ATOM 601 CA GLU 1 46 -4.480 -3.808 -4.070 1.00 0.00 C ATOM 602 C GLU 1 46 -3.564 -4.889 -3.511 1.00 0.00 C ATOM 603 O GLU 1 46 -4.016 -5.972 -3.137 1.00 0.00 O ATOM 604 CB GLU 1 46 -4.621 -3.983 -5.583 1.00 0.00 C ATOM 605 CG GLU 1 46 -5.997 -3.614 -6.113 1.00 0.00 C ATOM 606 CD GLU 1 46 -6.423 -2.217 -5.708 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -6.763 -2.021 -4.522 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -6.415 -1.319 -6.576 1.00 0.00 O ATOM 0 H GLU 1 46 -3.697 -1.933 -4.581 1.00 0.00 H new ATOM 0 HA GLU 1 46 -5.461 -3.905 -3.605 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -3.872 -3.369 -6.083 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -4.407 -5.020 -5.842 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -5.995 -3.688 -7.200 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -6.729 -4.334 -5.746 1.00 0.00 H new ATOM 615 N CYS 1 47 -2.273 -4.587 -3.463 1.00 0.00 N ATOM 616 CA CYS 1 47 -1.284 -5.528 -2.958 1.00 0.00 C ATOM 617 C CYS 1 47 -0.671 -5.029 -1.656 1.00 0.00 C ATOM 618 O CYS 1 47 0.498 -5.287 -1.374 1.00 0.00 O ATOM 619 CB CYS 1 47 -0.185 -5.740 -3.999 1.00 0.00 C ATOM 620 SG CYS 1 47 0.813 -7.236 -3.729 1.00 0.00 S ATOM 0 H CYS 1 47 -1.886 -3.694 -3.769 1.00 0.00 H new ATOM 0 HA CYS 1 47 -1.785 -6.476 -2.762 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 -0.641 -5.794 -4.988 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 0.474 -4.872 -3.999 1.00 0.00 H new ATOM 625 N CYS 1 48 -1.463 -4.311 -0.869 1.00 0.00 N ATOM 626 CA CYS 1 48 -0.994 -3.771 0.398 1.00 0.00 C ATOM 627 C CYS 1 48 -1.419 -4.656 1.563 1.00 0.00 C ATOM 628 O CYS 1 48 -2.403 -5.390 1.470 1.00 0.00 O ATOM 629 CB CYS 1 48 -1.535 -2.356 0.591 1.00 0.00 C ATOM 630 SG CYS 1 48 -0.348 -1.205 1.348 1.00 0.00 S ATOM 0 H CYS 1 48 -2.434 -4.090 -1.088 1.00 0.00 H new ATOM 0 HA CYS 1 48 0.095 -3.742 0.375 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 -1.841 -1.960 -0.377 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 -2.428 -2.402 1.214 1.00 0.00 H new ATOM 635 N ASP 1 49 -0.675 -4.580 2.662 1.00 0.00 N ATOM 636 CA ASP 1 49 -0.983 -5.376 3.843 1.00 0.00 C ATOM 637 C ASP 1 49 -0.097 -4.990 5.023 1.00 0.00 C ATOM 638 O ASP 1 49 1.071 -5.372 5.091 1.00 0.00 O ATOM 639 CB ASP 1 49 -0.818 -6.865 3.534 1.00 0.00 C ATOM 640 CG ASP 1 49 -1.993 -7.694 4.018 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -2.838 -7.151 4.762 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -2.068 -8.886 3.655 1.00 0.00 O ATOM 0 H ASP 1 49 0.142 -3.977 2.759 1.00 0.00 H new ATOM 0 HA ASP 1 49 -2.019 -5.176 4.118 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -0.702 -6.999 2.458 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 0.097 -7.230 4.001 1.00 0.00 H new ATOM 647 N GLN 1 50 -0.675 -4.241 5.958 1.00 0.00 N ATOM 648 CA GLN 1 50 0.036 -3.802 7.161 1.00 0.00 C ATOM 649 C GLN 1 50 1.464 -3.350 6.855 1.00 0.00 C ATOM 650 O GLN 1 50 2.423 -4.083 7.096 1.00 0.00 O ATOM 651 CB GLN 1 50 0.062 -4.929 8.195 1.00 0.00 C ATOM 652 CG GLN 1 50 -1.160 -4.954 9.098 1.00 0.00 C ATOM 653 CD GLN 1 50 -0.855 -5.507 10.477 1.00 0.00 C ATOM 654 OE1 GLN 1 50 -1.304 -4.968 11.488 1.00 0.00 O ATOM 655 NE2 GLN 1 50 -0.086 -6.589 10.524 1.00 0.00 N ATOM 0 H GLN 1 50 -1.642 -3.922 5.907 1.00 0.00 H new ATOM 0 HA GLN 1 50 -0.504 -2.944 7.561 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 0.140 -5.885 7.677 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 0.956 -4.826 8.810 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 -1.556 -3.943 9.195 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 -1.939 -5.558 8.633 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 0.265 -7.003 9.660 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 0.154 -7.006 11.424 1.00 0.00 H new ATOM 664 N CYS 1 51 1.597 -2.132 6.337 1.00 0.00 N ATOM 665 CA CYS 1 51 2.907 -1.569 6.013 1.00 0.00 C ATOM 666 C CYS 1 51 3.782 -2.568 5.255 1.00 0.00 C ATOM 667 O CYS 1 51 5.008 -2.526 5.351 1.00 0.00 O ATOM 668 CB CYS 1 51 3.621 -1.124 7.293 1.00 0.00 C ATOM 669 SG CYS 1 51 2.547 -0.262 8.489 1.00 0.00 S ATOM 0 H CYS 1 51 0.812 -1.514 6.132 1.00 0.00 H new ATOM 0 HA CYS 1 51 2.743 -0.707 5.366 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 4.055 -1.999 7.777 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 4.448 -0.466 7.024 1.00 0.00 H new ATOM 674 N ARG 1 52 3.148 -3.462 4.502 1.00 0.00 N ATOM 675 CA ARG 1 52 3.879 -4.464 3.732 1.00 0.00 C ATOM 676 C ARG 1 52 3.027 -5.003 2.587 1.00 0.00 C ATOM 677 O ARG 1 52 1.816 -5.163 2.726 1.00 0.00 O ATOM 678 CB ARG 1 52 4.320 -5.614 4.643 1.00 0.00 C ATOM 679 CG ARG 1 52 5.762 -5.501 5.110 1.00 0.00 C ATOM 680 CD ARG 1 52 6.690 -6.363 4.269 1.00 0.00 C ATOM 681 NE ARG 1 52 8.058 -5.851 4.263 1.00 0.00 N ATOM 682 CZ ARG 1 52 9.052 -6.401 3.570 1.00 0.00 C ATOM 683 NH1 ARG 1 52 8.836 -7.479 2.827 1.00 0.00 N ATOM 684 NH2 ARG 1 52 10.267 -5.871 3.619 1.00 0.00 N ATOM 0 H ARG 1 52 2.134 -3.514 4.408 1.00 0.00 H new ATOM 0 HA ARG 1 52 4.762 -3.986 3.307 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 3.666 -5.647 5.514 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 4.192 -6.557 4.112 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 6.082 -4.461 5.056 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 5.832 -5.802 6.155 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 6.686 -7.382 4.655 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 6.315 -6.408 3.246 1.00 0.00 H new ATOM 0 HE ARG 1 52 8.263 -5.023 4.823 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 7.904 -7.891 2.785 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 9.602 -7.896 2.298 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 10.439 -5.042 4.188 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 11.029 -6.292 3.088 1.00 0.00 H new ATOM 698 N PHE 1 53 3.668 -5.283 1.455 1.00 0.00 N ATOM 699 CA PHE 1 53 2.963 -5.804 0.289 1.00 0.00 C ATOM 700 C PHE 1 53 2.464 -7.218 0.539 1.00 0.00 C ATOM 701 O PHE 1 53 3.125 -8.010 1.210 1.00 0.00 O ATOM 702 CB PHE 1 53 3.873 -5.804 -0.943 1.00 0.00 C ATOM 703 CG PHE 1 53 4.074 -4.448 -1.552 1.00 0.00 C ATOM 704 CD1 PHE 1 53 3.030 -3.541 -1.614 1.00 0.00 C ATOM 705 CD2 PHE 1 53 5.306 -4.084 -2.068 1.00 0.00 C ATOM 706 CE1 PHE 1 53 3.211 -2.296 -2.176 1.00 0.00 C ATOM 707 CE2 PHE 1 53 5.494 -2.837 -2.633 1.00 0.00 C ATOM 708 CZ PHE 1 53 4.444 -1.941 -2.687 1.00 0.00 C ATOM 0 H PHE 1 53 4.671 -5.158 1.321 1.00 0.00 H new ATOM 0 HA PHE 1 53 2.109 -5.151 0.107 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 4.844 -6.214 -0.665 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 3.450 -6.470 -1.695 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 2.063 -3.812 -1.217 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 6.129 -4.782 -2.029 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 2.388 -1.597 -2.217 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 6.460 -2.564 -3.032 1.00 0.00 H new ATOM 0 HZ PHE 1 53 4.587 -0.965 -3.128 1.00 0.00 H new ATOM 718 N LYS 1 54 1.304 -7.538 -0.022 1.00 0.00 N ATOM 719 CA LYS 1 54 0.742 -8.869 0.129 1.00 0.00 C ATOM 720 C LYS 1 54 1.623 -9.879 -0.596 1.00 0.00 C ATOM 721 O LYS 1 54 1.719 -9.858 -1.821 1.00 0.00 O ATOM 722 CB LYS 1 54 -0.685 -8.914 -0.422 1.00 0.00 C ATOM 723 CG LYS 1 54 -1.751 -9.011 0.656 1.00 0.00 C ATOM 724 CD LYS 1 54 -3.033 -8.310 0.237 1.00 0.00 C ATOM 725 CE LYS 1 54 -4.198 -8.697 1.134 1.00 0.00 C ATOM 726 NZ LYS 1 54 -5.465 -8.841 0.366 1.00 0.00 N ATOM 0 H LYS 1 54 0.740 -6.898 -0.581 1.00 0.00 H new ATOM 0 HA LYS 1 54 0.705 -9.122 1.189 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -0.864 -8.019 -1.018 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -0.780 -9.768 -1.093 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -1.961 -10.059 0.868 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -1.378 -8.568 1.579 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -2.887 -7.230 0.273 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -3.268 -8.565 -0.796 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -3.971 -9.636 1.639 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -4.327 -7.941 1.909 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -6.235 -9.105 1.013 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -5.696 -7.938 -0.096 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -5.351 -9.580 -0.357 1.00 0.00 H new ATOM 740 N LYS 1 55 2.278 -10.748 0.170 1.00 0.00 N ATOM 741 CA LYS 1 55 3.171 -11.760 -0.391 1.00 0.00 C ATOM 742 C LYS 1 55 2.624 -12.332 -1.694 1.00 0.00 C ATOM 743 O LYS 1 55 1.467 -12.759 -1.763 1.00 0.00 O ATOM 744 CB LYS 1 55 3.391 -12.888 0.619 1.00 0.00 C ATOM 745 CG LYS 1 55 4.424 -13.910 0.173 1.00 0.00 C ATOM 746 CD LYS 1 55 4.479 -15.096 1.122 1.00 0.00 C ATOM 747 CE LYS 1 55 5.044 -16.331 0.438 1.00 0.00 C ATOM 748 NZ LYS 1 55 5.900 -17.132 1.356 1.00 0.00 N ATOM 0 H LYS 1 55 2.207 -10.772 1.187 1.00 0.00 H new ATOM 0 HA LYS 1 55 4.123 -11.276 -0.609 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 3.705 -12.457 1.570 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 2.443 -13.396 0.797 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 4.184 -14.257 -0.832 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 5.405 -13.438 0.121 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 5.094 -14.844 1.986 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 3.478 -15.311 1.495 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 4.225 -16.950 0.073 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 5.628 -16.029 -0.432 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 6.265 -17.965 0.852 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 6.696 -16.549 1.685 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 5.337 -17.442 2.174 1.00 0.00 H new ATOM 762 N ALA 1 56 3.464 -12.333 -2.730 1.00 0.00 N ATOM 763 CA ALA 1 56 3.069 -12.850 -4.031 1.00 0.00 C ATOM 764 C ALA 1 56 2.247 -14.115 -3.875 1.00 0.00 C ATOM 765 O ALA 1 56 2.549 -14.969 -3.041 1.00 0.00 O ATOM 766 CB ALA 1 56 4.280 -13.123 -4.901 1.00 0.00 C ATOM 0 H ALA 1 56 4.420 -11.981 -2.689 1.00 0.00 H new ATOM 0 HA ALA 1 56 2.459 -12.090 -4.519 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 3.954 -13.509 -5.867 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 4.838 -12.198 -5.049 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 4.920 -13.859 -4.414 1.00 0.00 H new ATOM 772 N GLY 1 57 1.194 -14.213 -4.657 1.00 0.00 N ATOM 773 CA GLY 1 57 0.321 -15.364 -4.568 1.00 0.00 C ATOM 774 C GLY 1 57 -1.013 -14.991 -3.961 1.00 0.00 C ATOM 775 O GLY 1 57 -1.983 -15.741 -4.061 1.00 0.00 O ATOM 0 H GLY 1 57 0.923 -13.519 -5.354 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 0.167 -15.785 -5.562 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 0.795 -16.138 -3.964 1.00 0.00 H new ATOM 779 N THR 1 58 -1.063 -13.811 -3.343 1.00 0.00 N ATOM 780 CA THR 1 58 -2.290 -13.317 -2.740 1.00 0.00 C ATOM 781 C THR 1 58 -3.203 -12.756 -3.825 1.00 0.00 C ATOM 782 O THR 1 58 -2.892 -11.736 -4.440 1.00 0.00 O ATOM 783 CB THR 1 58 -1.976 -12.233 -1.709 1.00 0.00 C ATOM 784 OG1 THR 1 58 -1.210 -12.761 -0.641 1.00 0.00 O ATOM 785 CG2 THR 1 58 -3.215 -11.603 -1.120 1.00 0.00 C ATOM 0 H THR 1 58 -0.265 -13.183 -3.249 1.00 0.00 H new ATOM 0 HA THR 1 58 -2.794 -14.141 -2.235 1.00 0.00 H new ATOM 0 HB THR 1 58 -1.418 -11.469 -2.249 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -0.271 -12.826 -0.913 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -2.927 -10.842 -0.395 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -3.803 -11.143 -1.915 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -3.812 -12.368 -0.624 1.00 0.00 H new ATOM 793 N VAL 1 59 -4.320 -13.429 -4.069 1.00 0.00 N ATOM 794 CA VAL 1 59 -5.256 -12.991 -5.096 1.00 0.00 C ATOM 795 C VAL 1 59 -5.934 -11.676 -4.720 1.00 0.00 C ATOM 796 O VAL 1 59 -6.612 -11.587 -3.697 1.00 0.00 O ATOM 797 CB VAL 1 59 -6.344 -14.052 -5.367 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -7.168 -14.307 -4.114 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -7.237 -13.624 -6.525 1.00 0.00 C ATOM 0 H VAL 1 59 -4.599 -14.275 -3.573 1.00 0.00 H new ATOM 0 HA VAL 1 59 -4.666 -12.844 -6.000 1.00 0.00 H new ATOM 0 HB VAL 1 59 -5.852 -14.984 -5.645 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -7.929 -15.058 -4.326 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -6.517 -14.665 -3.317 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -7.649 -13.381 -3.800 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -7.997 -14.386 -6.699 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -7.721 -12.678 -6.281 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -6.633 -13.501 -7.424 1.00 0.00 H new ATOM 809 N CYS 1 60 -5.756 -10.662 -5.561 1.00 0.00 N ATOM 810 CA CYS 1 60 -6.364 -9.354 -5.320 1.00 0.00 C ATOM 811 C CYS 1 60 -7.519 -9.092 -6.287 1.00 0.00 C ATOM 812 O CYS 1 60 -8.368 -8.238 -6.033 1.00 0.00 O ATOM 813 CB CYS 1 60 -5.328 -8.239 -5.462 1.00 0.00 C ATOM 814 SG CYS 1 60 -3.691 -8.639 -4.778 1.00 0.00 S ATOM 0 H CYS 1 60 -5.198 -10.718 -6.413 1.00 0.00 H new ATOM 0 HA CYS 1 60 -6.751 -9.361 -4.301 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -5.217 -7.996 -6.519 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -5.706 -7.344 -4.967 1.00 0.00 H new ATOM 819 N ARG 1 61 -7.538 -9.819 -7.401 1.00 0.00 N ATOM 820 CA ARG 1 61 -8.583 -9.649 -8.409 1.00 0.00 C ATOM 821 C ARG 1 61 -8.808 -10.938 -9.198 1.00 0.00 C ATOM 822 O ARG 1 61 -8.177 -11.962 -8.937 1.00 0.00 O ATOM 823 CB ARG 1 61 -8.215 -8.509 -9.368 1.00 0.00 C ATOM 824 CG ARG 1 61 -9.193 -7.343 -9.337 1.00 0.00 C ATOM 825 CD ARG 1 61 -9.366 -6.696 -10.710 1.00 0.00 C ATOM 826 NE ARG 1 61 -8.127 -6.681 -11.493 1.00 0.00 N ATOM 827 CZ ARG 1 61 -7.025 -6.028 -11.134 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -7.007 -5.295 -10.028 1.00 0.00 N ATOM 829 NH2 ARG 1 61 -5.939 -6.098 -11.892 1.00 0.00 N ATOM 0 H ARG 1 61 -6.844 -10.530 -7.629 1.00 0.00 H new ATOM 0 HA ARG 1 61 -9.509 -9.400 -7.891 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -7.219 -8.143 -9.118 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -8.164 -8.902 -10.383 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -10.161 -7.693 -8.978 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -8.841 -6.595 -8.627 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -10.134 -7.234 -11.265 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -9.722 -5.674 -10.582 1.00 0.00 H new ATOM 0 HE ARG 1 61 -8.109 -7.204 -12.368 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -7.842 -5.229 -9.446 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 -6.158 -4.797 -9.760 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 -5.950 -6.652 -12.749 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 -5.093 -5.598 -11.618 1.00 0.00 H new ATOM 843 N ILE 1 62 -9.710 -10.868 -10.169 1.00 0.00 N ATOM 844 CA ILE 1 62 -10.029 -12.007 -11.017 1.00 0.00 C ATOM 845 C ILE 1 62 -11.096 -11.623 -12.027 1.00 0.00 C ATOM 846 O ILE 1 62 -12.077 -10.960 -11.690 1.00 0.00 O ATOM 847 CB ILE 1 62 -10.515 -13.221 -10.201 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -10.899 -14.379 -11.127 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -11.693 -12.832 -9.325 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -9.750 -14.894 -11.965 1.00 0.00 C ATOM 0 H ILE 1 62 -10.238 -10.024 -10.389 1.00 0.00 H new ATOM 0 HA ILE 1 62 -9.111 -12.292 -11.531 1.00 0.00 H new ATOM 0 HB ILE 1 62 -9.697 -13.552 -9.560 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -11.294 -15.198 -10.526 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -11.702 -14.053 -11.788 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -12.025 -13.700 -8.755 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -11.391 -12.041 -8.639 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -12.510 -12.475 -9.952 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -10.098 -15.713 -12.595 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -9.369 -14.089 -12.593 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -8.955 -15.252 -11.311 1.00 0.00 H new ATOM 862 N ALA 1 63 -10.895 -12.035 -13.266 1.00 0.00 N ATOM 863 CA ALA 1 63 -11.840 -11.723 -14.326 1.00 0.00 C ATOM 864 C ALA 1 63 -13.199 -12.376 -14.053 1.00 0.00 C ATOM 865 O ALA 1 63 -14.009 -11.828 -13.305 1.00 0.00 O ATOM 866 CB ALA 1 63 -11.270 -12.119 -15.684 1.00 0.00 C ATOM 0 H ALA 1 63 -10.089 -12.585 -13.563 1.00 0.00 H new ATOM 0 HA ALA 1 63 -12.004 -10.646 -14.346 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -11.991 -11.878 -16.465 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -10.344 -11.572 -15.863 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -11.067 -13.190 -15.695 1.00 0.00 H new ATOM 872 N ARG 1 64 -13.450 -13.544 -14.641 1.00 0.00 N ATOM 873 CA ARG 1 64 -14.714 -14.243 -14.426 1.00 0.00 C ATOM 874 C ARG 1 64 -14.505 -15.752 -14.351 1.00 0.00 C ATOM 875 O ARG 1 64 -14.640 -16.456 -15.350 1.00 0.00 O ATOM 876 CB ARG 1 64 -15.699 -13.911 -15.547 1.00 0.00 C ATOM 877 CG ARG 1 64 -17.117 -14.379 -15.268 1.00 0.00 C ATOM 878 CD ARG 1 64 -17.298 -15.846 -15.620 1.00 0.00 C ATOM 879 NE ARG 1 64 -18.652 -16.134 -16.088 1.00 0.00 N ATOM 880 CZ ARG 1 64 -19.165 -17.360 -16.165 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -18.442 -18.413 -15.804 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -20.405 -17.533 -16.602 1.00 0.00 N ATOM 0 H ARG 1 64 -12.800 -14.023 -15.265 1.00 0.00 H new ATOM 0 HA ARG 1 64 -15.124 -13.907 -13.474 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -15.706 -12.833 -15.706 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -15.350 -14.368 -16.473 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -17.352 -14.225 -14.215 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -17.820 -13.776 -15.843 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -16.581 -16.125 -16.392 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -17.079 -16.458 -14.745 1.00 0.00 H new ATOM 0 HE ARG 1 64 -19.239 -15.350 -16.372 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -17.488 -18.285 -15.466 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -18.840 -19.350 -15.865 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -20.965 -16.727 -16.879 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -20.799 -18.472 -16.661 1.00 0.00 H new ATOM 896 N GLY 1 65 -14.188 -16.250 -13.165 1.00 0.00 N ATOM 897 CA GLY 1 65 -13.976 -17.674 -12.999 1.00 0.00 C ATOM 898 C GLY 1 65 -12.624 -17.991 -12.402 1.00 0.00 C ATOM 899 O GLY 1 65 -12.410 -17.821 -11.201 1.00 0.00 O ATOM 0 H GLY 1 65 -14.074 -15.696 -12.316 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -14.758 -18.082 -12.358 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -14.067 -18.167 -13.967 1.00 0.00 H new ATOM 903 N ASP 1 66 -11.707 -18.448 -13.245 1.00 0.00 N ATOM 904 CA ASP 1 66 -10.361 -18.786 -12.800 1.00 0.00 C ATOM 905 C ASP 1 66 -9.516 -19.320 -13.951 1.00 0.00 C ATOM 906 O ASP 1 66 -9.505 -20.520 -14.228 1.00 0.00 O ATOM 907 CB ASP 1 66 -10.410 -19.812 -11.666 1.00 0.00 C ATOM 908 CG ASP 1 66 -11.287 -21.002 -12.001 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -12.485 -20.794 -12.289 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -10.777 -22.142 -11.974 1.00 0.00 O ATOM 0 H ASP 1 66 -11.871 -18.593 -14.241 1.00 0.00 H new ATOM 0 HA ASP 1 66 -9.896 -17.872 -12.430 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -9.400 -20.158 -11.449 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -10.783 -19.332 -10.761 1.00 0.00 H new ATOM 915 N TRP 1 67 -8.805 -18.415 -14.609 1.00 0.00 N ATOM 916 CA TRP 1 67 -7.941 -18.770 -15.730 1.00 0.00 C ATOM 917 C TRP 1 67 -6.505 -18.372 -15.429 1.00 0.00 C ATOM 918 O TRP 1 67 -5.631 -19.216 -15.228 1.00 0.00 O ATOM 919 CB TRP 1 67 -8.408 -18.065 -17.011 1.00 0.00 C ATOM 920 CG TRP 1 67 -9.510 -17.070 -16.787 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -9.442 -15.891 -16.092 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -10.852 -17.175 -17.262 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -10.661 -15.270 -16.104 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -11.542 -16.033 -16.820 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -11.535 -18.125 -18.020 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -12.882 -15.817 -17.112 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -12.869 -17.910 -18.312 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -13.531 -16.763 -17.858 1.00 0.00 C ATOM 0 H TRP 1 67 -8.809 -17.420 -14.384 1.00 0.00 H new ATOM 0 HA TRP 1 67 -7.995 -19.849 -15.877 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -7.558 -17.556 -17.465 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -8.748 -18.816 -17.724 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -8.557 -15.508 -15.606 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -10.878 -14.382 -15.652 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -11.031 -19.013 -18.373 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -13.394 -14.933 -16.762 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -13.409 -18.638 -18.899 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -14.574 -16.622 -18.101 1.00 0.00 H new ATOM 939 N ASN 1 68 -6.288 -17.069 -15.391 1.00 0.00 N ATOM 940 CA ASN 1 68 -4.981 -16.499 -15.106 1.00 0.00 C ATOM 941 C ASN 1 68 -4.966 -15.923 -13.700 1.00 0.00 C ATOM 942 O ASN 1 68 -3.936 -15.912 -13.027 1.00 0.00 O ATOM 943 CB ASN 1 68 -4.652 -15.392 -16.105 1.00 0.00 C ATOM 944 CG ASN 1 68 -5.234 -15.652 -17.484 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -6.544 -15.463 -17.621 1.00 0.00 O flip ATOM 946 ND2 ASN 1 68 -4.516 -16.019 -18.414 1.00 0.00 N flip ATOM 0 H ASN 1 68 -7.015 -16.373 -15.557 1.00 0.00 H new ATOM 0 HA ASN 1 68 -4.234 -17.289 -15.189 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -5.033 -14.443 -15.728 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -3.570 -15.291 -16.185 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -3.516 -16.152 -18.264 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -4.921 -16.191 -19.334 1.00 0.00 H new ATOM 953 N ASP 1 69 -6.130 -15.448 -13.268 1.00 0.00 N ATOM 954 CA ASP 1 69 -6.280 -14.871 -11.945 1.00 0.00 C ATOM 955 C ASP 1 69 -5.421 -13.635 -11.765 1.00 0.00 C ATOM 956 O ASP 1 69 -4.549 -13.335 -12.580 1.00 0.00 O ATOM 957 CB ASP 1 69 -5.892 -15.884 -10.881 1.00 0.00 C ATOM 958 CG ASP 1 69 -7.007 -16.863 -10.569 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -7.320 -17.703 -11.439 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -7.567 -16.790 -9.455 1.00 0.00 O ATOM 0 H ASP 1 69 -6.986 -15.454 -13.823 1.00 0.00 H new ATOM 0 HA ASP 1 69 -7.328 -14.589 -11.840 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -5.013 -16.436 -11.214 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -5.611 -15.357 -9.969 1.00 0.00 H new ATOM 965 N ASP 1 70 -5.661 -12.949 -10.661 1.00 0.00 N ATOM 966 CA ASP 1 70 -4.905 -11.765 -10.312 1.00 0.00 C ATOM 967 C ASP 1 70 -4.165 -12.033 -9.021 1.00 0.00 C ATOM 968 O ASP 1 70 -4.780 -12.360 -8.010 1.00 0.00 O ATOM 969 CB ASP 1 70 -5.829 -10.561 -10.163 1.00 0.00 C ATOM 970 CG ASP 1 70 -5.058 -9.265 -10.032 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -3.964 -9.289 -9.432 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -5.547 -8.230 -10.527 1.00 0.00 O ATOM 0 H ASP 1 70 -6.383 -13.198 -9.985 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.193 -11.536 -11.104 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -6.491 -10.503 -11.027 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -6.462 -10.696 -9.286 1.00 0.00 H new ATOM 977 N TYR 1 71 -2.842 -11.953 -9.062 1.00 0.00 N ATOM 978 CA TYR 1 71 -2.060 -12.259 -7.880 1.00 0.00 C ATOM 979 C TYR 1 71 -0.967 -11.258 -7.579 1.00 0.00 C ATOM 980 O TYR 1 71 -0.327 -10.705 -8.473 1.00 0.00 O ATOM 981 CB TYR 1 71 -1.444 -13.635 -8.037 1.00 0.00 C ATOM 982 CG TYR 1 71 -2.436 -14.732 -7.797 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -2.855 -15.012 -6.514 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -2.958 -15.475 -8.844 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -3.767 -16.007 -6.262 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -3.875 -16.476 -8.612 1.00 0.00 C ATOM 987 CZ TYR 1 71 -4.279 -16.743 -7.315 1.00 0.00 C ATOM 988 OH TYR 1 71 -5.195 -17.742 -7.074 1.00 0.00 O ATOM 0 H TYR 1 71 -2.300 -11.685 -9.884 1.00 0.00 H new ATOM 0 HA TYR 1 71 -2.750 -12.218 -7.037 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -1.032 -13.734 -9.041 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -0.613 -13.740 -7.340 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -2.458 -14.437 -5.690 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -2.641 -15.266 -9.855 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -4.082 -16.213 -5.250 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -4.276 -17.048 -9.436 1.00 0.00 H new ATOM 0 HH TYR 1 71 -5.454 -18.160 -7.922 1.00 0.00 H new ATOM 998 N CYS 1 72 -0.754 -11.066 -6.286 1.00 0.00 N ATOM 999 CA CYS 1 72 0.270 -10.169 -5.790 1.00 0.00 C ATOM 1000 C CYS 1 72 1.644 -10.619 -6.266 1.00 0.00 C ATOM 1001 O CYS 1 72 1.836 -11.780 -6.629 1.00 0.00 O ATOM 1002 CB CYS 1 72 0.233 -10.155 -4.264 1.00 0.00 C ATOM 1003 SG CYS 1 72 -0.582 -8.696 -3.553 1.00 0.00 S ATOM 0 H CYS 1 72 -1.289 -11.530 -5.552 1.00 0.00 H new ATOM 0 HA CYS 1 72 0.080 -9.166 -6.172 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -0.282 -11.051 -3.916 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 1.254 -10.207 -3.886 1.00 0.00 H new ATOM 1008 N THR 1 73 2.598 -9.698 -6.255 1.00 0.00 N ATOM 1009 CA THR 1 73 3.956 -10.005 -6.682 1.00 0.00 C ATOM 1010 C THR 1 73 4.963 -9.746 -5.560 1.00 0.00 C ATOM 1011 O THR 1 73 6.120 -10.156 -5.649 1.00 0.00 O ATOM 1012 CB THR 1 73 4.315 -9.180 -7.917 1.00 0.00 C ATOM 1013 OG1 THR 1 73 4.548 -7.827 -7.567 1.00 0.00 O ATOM 1014 CG2 THR 1 73 3.233 -9.202 -8.975 1.00 0.00 C ATOM 0 H THR 1 73 2.457 -8.733 -5.955 1.00 0.00 H new ATOM 0 HA THR 1 73 4.001 -11.065 -6.934 1.00 0.00 H new ATOM 0 HB THR 1 73 5.215 -9.639 -8.325 1.00 0.00 H new ATOM 0 HG1 THR 1 73 4.778 -7.316 -8.371 1.00 0.00 H new ATOM 0 HG21 THR 1 73 3.545 -8.599 -9.827 1.00 0.00 H new ATOM 0 HG22 THR 1 73 3.063 -10.228 -9.300 1.00 0.00 H new ATOM 0 HG23 THR 1 73 2.311 -8.795 -8.561 1.00 0.00 H new ATOM 1022 N GLY 1 74 4.517 -9.068 -4.503 1.00 0.00 N ATOM 1023 CA GLY 1 74 5.394 -8.775 -3.385 1.00 0.00 C ATOM 1024 C GLY 1 74 6.460 -7.752 -3.726 1.00 0.00 C ATOM 1025 O GLY 1 74 7.464 -7.637 -3.022 1.00 0.00 O ATOM 0 H GLY 1 74 3.564 -8.718 -4.403 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 4.799 -8.408 -2.549 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 5.874 -9.696 -3.054 1.00 0.00 H new ATOM 1029 N LYS 1 75 6.247 -7.006 -4.807 1.00 0.00 N ATOM 1030 CA LYS 1 75 7.205 -5.990 -5.232 1.00 0.00 C ATOM 1031 C LYS 1 75 6.511 -4.666 -5.552 1.00 0.00 C ATOM 1032 O LYS 1 75 7.139 -3.741 -6.067 1.00 0.00 O ATOM 1033 CB LYS 1 75 7.984 -6.474 -6.456 1.00 0.00 C ATOM 1034 CG LYS 1 75 8.422 -7.928 -6.367 1.00 0.00 C ATOM 1035 CD LYS 1 75 7.716 -8.789 -7.403 1.00 0.00 C ATOM 1036 CE LYS 1 75 8.333 -8.621 -8.782 1.00 0.00 C ATOM 1037 NZ LYS 1 75 7.311 -8.699 -9.861 1.00 0.00 N ATOM 0 H LYS 1 75 5.423 -7.086 -5.402 1.00 0.00 H new ATOM 0 HA LYS 1 75 7.896 -5.822 -4.406 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 7.365 -6.344 -7.344 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 8.865 -5.846 -6.587 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 9.500 -7.993 -6.512 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 8.211 -8.312 -5.369 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 7.769 -9.836 -7.105 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 6.660 -8.522 -7.441 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 8.845 -7.660 -8.836 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 9.086 -9.393 -8.939 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 7.772 -8.580 -10.785 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 6.840 -9.625 -9.826 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 6.606 -7.946 -9.726 1.00 0.00 H new ATOM 1051 N SER 1 76 5.218 -4.577 -5.248 1.00 0.00 N ATOM 1052 CA SER 1 76 4.460 -3.359 -5.512 1.00 0.00 C ATOM 1053 C SER 1 76 3.050 -3.453 -4.937 1.00 0.00 C ATOM 1054 O SER 1 76 2.616 -4.518 -4.500 1.00 0.00 O ATOM 1055 CB SER 1 76 4.391 -3.095 -7.017 1.00 0.00 C ATOM 1056 OG SER 1 76 3.386 -3.886 -7.628 1.00 0.00 O ATOM 0 H SER 1 76 4.677 -5.329 -4.821 1.00 0.00 H new ATOM 0 HA SER 1 76 4.974 -2.531 -5.025 1.00 0.00 H new ATOM 0 HB2 SER 1 76 4.186 -2.039 -7.195 1.00 0.00 H new ATOM 0 HB3 SER 1 76 5.357 -3.313 -7.472 1.00 0.00 H new ATOM 0 HG SER 1 76 3.361 -3.698 -8.589 1.00 0.00 H new ATOM 1062 N SER 1 77 2.339 -2.329 -4.949 1.00 0.00 N ATOM 1063 CA SER 1 77 0.973 -2.277 -4.437 1.00 0.00 C ATOM 1064 C SER 1 77 -0.036 -2.614 -5.533 1.00 0.00 C ATOM 1065 O SER 1 77 -1.241 -2.433 -5.355 1.00 0.00 O ATOM 1066 CB SER 1 77 0.672 -0.889 -3.861 1.00 0.00 C ATOM 1067 OG SER 1 77 1.696 0.034 -4.190 1.00 0.00 O ATOM 0 H SER 1 77 2.687 -1.440 -5.308 1.00 0.00 H new ATOM 0 HA SER 1 77 0.883 -3.020 -3.645 1.00 0.00 H new ATOM 0 HB2 SER 1 77 -0.282 -0.531 -4.247 1.00 0.00 H new ATOM 0 HB3 SER 1 77 0.573 -0.955 -2.778 1.00 0.00 H new ATOM 0 HG SER 1 77 1.479 0.912 -3.812 1.00 0.00 H new ATOM 1073 N ASP 1 78 0.459 -3.101 -6.668 1.00 0.00 N ATOM 1074 CA ASP 1 78 -0.405 -3.456 -7.785 1.00 0.00 C ATOM 1075 C ASP 1 78 -0.509 -4.970 -7.936 1.00 0.00 C ATOM 1076 O ASP 1 78 0.472 -5.692 -7.764 1.00 0.00 O ATOM 1077 CB ASP 1 78 0.122 -2.838 -9.081 1.00 0.00 C ATOM 1078 CG ASP 1 78 -0.018 -1.328 -9.100 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 0.150 -0.703 -8.032 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 -0.295 -0.771 -10.184 1.00 0.00 O ATOM 0 H ASP 1 78 1.453 -3.258 -6.836 1.00 0.00 H new ATOM 0 HA ASP 1 78 -1.400 -3.061 -7.580 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 1.171 -3.105 -9.207 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 -0.418 -3.261 -9.928 1.00 0.00 H new ATOM 1085 N CYS 1 79 -1.708 -5.439 -8.257 1.00 0.00 N ATOM 1086 CA CYS 1 79 -1.956 -6.864 -8.434 1.00 0.00 C ATOM 1087 C CYS 1 79 -2.407 -7.158 -9.866 1.00 0.00 C ATOM 1088 O CYS 1 79 -3.540 -6.857 -10.239 1.00 0.00 O ATOM 1089 CB CYS 1 79 -3.023 -7.331 -7.440 1.00 0.00 C ATOM 1090 SG CYS 1 79 -2.512 -8.753 -6.425 1.00 0.00 S ATOM 0 H CYS 1 79 -2.528 -4.850 -8.401 1.00 0.00 H new ATOM 0 HA CYS 1 79 -1.029 -7.406 -8.247 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -3.281 -6.501 -6.782 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.927 -7.595 -7.989 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.523 -7.745 -10.696 1.00 0.00 N ATOM 1096 CA PRO 1 80 -1.846 -8.067 -12.093 1.00 0.00 C ATOM 1097 C PRO 1 80 -2.803 -9.251 -12.220 1.00 0.00 C ATOM 1098 O PRO 1 80 -2.571 -10.312 -11.643 1.00 0.00 O ATOM 1099 CB PRO 1 80 -0.483 -8.419 -12.692 1.00 0.00 C ATOM 1100 CG PRO 1 80 0.313 -8.924 -11.539 1.00 0.00 C ATOM 1101 CD PRO 1 80 -0.143 -8.132 -10.345 1.00 0.00 C ATOM 0 HA PRO 1 80 -2.354 -7.242 -12.592 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 -0.576 -9.175 -13.472 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 -0.013 -7.547 -13.147 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 0.147 -9.990 -11.387 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 1.381 -8.789 -11.713 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 -0.113 -8.728 -9.433 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 0.488 -7.259 -10.177 1.00 0.00 H new ATOM 1109 N TRP 1 81 -3.880 -9.056 -12.981 1.00 0.00 N ATOM 1110 CA TRP 1 81 -4.883 -10.105 -13.190 1.00 0.00 C ATOM 1111 C TRP 1 81 -4.602 -10.937 -14.435 1.00 0.00 C ATOM 1112 O TRP 1 81 -5.152 -12.025 -14.609 1.00 0.00 O ATOM 1113 CB TRP 1 81 -6.286 -9.508 -13.270 1.00 0.00 C ATOM 1114 CG TRP 1 81 -6.480 -8.475 -14.342 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 -5.531 -7.863 -15.115 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 -7.731 -7.932 -14.747 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 -6.129 -6.962 -15.964 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 -7.482 -6.990 -15.755 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -9.040 -8.159 -14.342 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 -8.504 -6.271 -16.364 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 -10.059 -7.449 -14.946 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 -9.786 -6.511 -15.948 1.00 0.00 C ATOM 0 H TRP 1 81 -4.082 -8.181 -13.464 1.00 0.00 H new ATOM 0 HA TRP 1 81 -4.823 -10.769 -12.328 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -6.999 -10.316 -13.433 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -6.528 -9.059 -12.307 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 -4.470 -8.059 -15.065 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 -5.644 -6.370 -16.639 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -9.258 -8.879 -13.567 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 -8.294 -5.548 -17.138 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -11.081 -7.620 -14.641 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 -10.601 -5.967 -16.401 1.00 0.00 H new ATOM 1133 N ASN 1 82 -3.746 -10.419 -15.290 1.00 0.00 N ATOM 1134 CA ASN 1 82 -3.373 -11.099 -16.527 1.00 0.00 C ATOM 1135 C ASN 1 82 -4.577 -11.251 -17.452 1.00 0.00 C ATOM 1136 O ASN 1 82 -4.772 -12.300 -18.066 1.00 0.00 O ATOM 1137 CB ASN 1 82 -2.773 -12.472 -16.219 1.00 0.00 C ATOM 1138 CG ASN 1 82 -1.599 -12.389 -15.263 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -0.730 -11.529 -15.402 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -1.568 -13.287 -14.285 1.00 0.00 N ATOM 0 H ASN 1 82 -3.287 -9.518 -15.154 1.00 0.00 H new ATOM 0 HA ASN 1 82 -2.625 -10.490 -17.034 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -3.543 -13.114 -15.790 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -2.449 -12.940 -17.148 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -0.802 -13.281 -13.611 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -2.310 -13.982 -14.207 1.00 0.00 H new ATOM 1147 N HIS 1 83 -5.381 -10.197 -17.548 1.00 0.00 N ATOM 1148 CA HIS 1 83 -6.567 -10.215 -18.397 1.00 0.00 C ATOM 1149 C HIS 1 83 -6.664 -8.938 -19.225 1.00 0.00 C ATOM 1150 O HIS 1 83 -7.757 -8.666 -19.766 1.00 0.00 O ATOM 1151 CB HIS 1 83 -7.824 -10.382 -17.543 1.00 0.00 C ATOM 1152 CG HIS 1 83 -7.698 -11.455 -16.509 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -8.146 -11.313 -15.214 1.00 0.00 N ATOM 1154 CD2 HIS 1 83 -7.159 -12.694 -16.584 1.00 0.00 C ATOM 1155 CE1 HIS 1 83 -7.887 -12.417 -14.537 1.00 0.00 C ATOM 1156 NE2 HIS 1 83 -7.289 -13.271 -15.347 1.00 0.00 N ATOM 1157 OXT HIS 1 83 -5.647 -8.220 -19.325 1.00 0.00 O ATOM 0 H HIS 1 83 -5.233 -9.320 -17.049 1.00 0.00 H new ATOM 0 HA HIS 1 83 -6.484 -11.061 -19.080 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 -8.048 -9.436 -17.050 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 -8.669 -10.611 -18.193 1.00 0.00 H new ATOM 0 HD1 HIS 1 83 -8.606 -10.484 -14.837 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 -6.710 -13.145 -17.457 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -8.124 -12.591 -13.498 1.00 0.00 H new TER 1166 HIS 1 83