USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 888 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 Single : A 1 GLU N :NH3+ 158:sc= -0.0938 (180deg=-0.519) USER MOD Single : A 2 GLN : amide:sc= -0.147 K(o=-0.15,f=-1.6!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.284 X(o=-0.28,f=-0.65) USER MOD Single : A 6 CYS SG : rot -145:sc= 1.18 USER MOD Single : A 7 ASN : amide:sc=-0.00379 X(o=-0.0038,f=-0.08) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -5.1! C(o=-5.1!,f=-5.8!) USER MOD Single : A 21 TYR OH : rot 30:sc= -0.0431 USER MOD Single : A 26 TYR OH : rot 150:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= 0.337 K(o=0.34,f=-1.4) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 MET CE :methyl 155:sc= -1.24 (180deg=-2.69!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 118:sc= 0.231 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -139:sc= -0.291 (180deg=-1.14!) USER MOD Single : A 56 MET CE :methyl 175:sc= -0.71 (180deg=-0.776) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot -133:sc= 0.222 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 MET CE :methyl 151:sc=-0.00273 (180deg=-0.759) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.668 X(o=-0.67,f=-0.9) USER MOD Single : A 78 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 30:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.0389 X(o=-0.039,f=-0.5) USER MOD Single : A 86 HIS : no HD1:sc= -3.03! C(o=-3!,f=-3!) USER MOD Single : A 91 MET CE :methyl -141:sc= -1.14 (180deg=-4.2!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 MET CE :methyl -108:sc= -4.04 (180deg=-4.62!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -15.621 11.180 0.978 1.00 0.00 N ATOM 2 CA GLU A 1 -14.425 11.417 0.114 1.00 0.00 C ATOM 3 C GLU A 1 -13.192 10.658 0.617 1.00 0.00 C ATOM 4 O GLU A 1 -12.056 11.056 0.348 1.00 0.00 O ATOM 5 CB GLU A 1 -14.143 12.921 0.079 1.00 0.00 C ATOM 6 CG GLU A 1 -13.699 13.494 1.418 1.00 0.00 C ATOM 7 CD GLU A 1 -14.172 14.918 1.630 1.00 0.00 C ATOM 8 OE1 GLU A 1 -13.464 15.850 1.194 1.00 0.00 O ATOM 9 OE2 GLU A 1 -15.252 15.101 2.229 1.00 0.00 O ATOM 0 H1 GLU A 1 -16.300 11.957 0.852 1.00 0.00 H new ATOM 0 H2 GLU A 1 -16.070 10.281 0.710 1.00 0.00 H new ATOM 0 H3 GLU A 1 -15.326 11.137 1.974 1.00 0.00 H new ATOM 0 HA GLU A 1 -14.639 11.044 -0.888 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -13.371 13.119 -0.664 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -15.042 13.442 -0.249 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -14.081 12.865 2.222 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -12.611 13.464 1.479 1.00 0.00 H new ATOM 18 N GLN A 2 -13.423 9.563 1.339 1.00 0.00 N ATOM 19 CA GLN A 2 -12.335 8.749 1.873 1.00 0.00 C ATOM 20 C GLN A 2 -11.481 8.169 0.744 1.00 0.00 C ATOM 21 O GLN A 2 -10.255 8.272 0.771 1.00 0.00 O ATOM 22 CB GLN A 2 -12.892 7.620 2.746 1.00 0.00 C ATOM 23 CG GLN A 2 -13.056 8.000 4.213 1.00 0.00 C ATOM 24 CD GLN A 2 -14.445 8.518 4.540 1.00 0.00 C ATOM 25 OE1 GLN A 2 -15.426 8.157 3.888 1.00 0.00 O ATOM 26 NE2 GLN A 2 -14.536 9.369 5.557 1.00 0.00 N ATOM 0 H GLN A 2 -14.356 9.219 1.567 1.00 0.00 H new ATOM 0 HA GLN A 2 -11.702 9.391 2.486 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -13.859 7.311 2.350 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -12.229 6.758 2.676 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -12.843 7.130 4.834 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -12.320 8.762 4.470 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -13.698 9.642 6.070 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -15.444 9.749 5.824 1.00 0.00 H new ATOM 35 N LEU A 3 -12.138 7.567 -0.251 1.00 0.00 N ATOM 36 CA LEU A 3 -11.434 6.978 -1.392 1.00 0.00 C ATOM 37 C LEU A 3 -10.628 8.039 -2.147 1.00 0.00 C ATOM 38 O LEU A 3 -9.506 7.781 -2.582 1.00 0.00 O ATOM 39 CB LEU A 3 -12.426 6.300 -2.347 1.00 0.00 C ATOM 40 CG LEU A 3 -12.169 4.811 -2.603 1.00 0.00 C ATOM 41 CD1 LEU A 3 -13.478 4.038 -2.628 1.00 0.00 C ATOM 42 CD2 LEU A 3 -11.412 4.612 -3.909 1.00 0.00 C ATOM 0 H LEU A 3 -13.153 7.475 -0.289 1.00 0.00 H new ATOM 0 HA LEU A 3 -10.744 6.228 -1.006 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -13.432 6.415 -1.943 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -12.404 6.826 -3.302 1.00 0.00 H new ATOM 0 HG LEU A 3 -11.556 4.428 -1.787 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -13.274 2.983 -2.811 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -13.984 4.149 -1.669 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -14.115 4.427 -3.422 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -11.240 3.548 -4.071 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -11.999 5.015 -4.735 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -10.455 5.131 -3.857 1.00 0.00 H new ATOM 54 N LYS A 4 -11.208 9.233 -2.294 1.00 0.00 N ATOM 55 CA LYS A 4 -10.542 10.333 -2.994 1.00 0.00 C ATOM 56 C LYS A 4 -9.276 10.764 -2.256 1.00 0.00 C ATOM 57 O LYS A 4 -8.236 10.988 -2.876 1.00 0.00 O ATOM 58 CB LYS A 4 -11.491 11.527 -3.147 1.00 0.00 C ATOM 59 CG LYS A 4 -11.353 12.251 -4.478 1.00 0.00 C ATOM 60 CD LYS A 4 -11.463 13.760 -4.309 1.00 0.00 C ATOM 61 CE LYS A 4 -12.311 14.389 -5.406 1.00 0.00 C ATOM 62 NZ LYS A 4 -11.776 15.712 -5.835 1.00 0.00 N ATOM 0 H LYS A 4 -12.136 9.462 -1.938 1.00 0.00 H new ATOM 0 HA LYS A 4 -10.260 9.977 -3.985 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -12.518 11.180 -3.037 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -11.305 12.234 -2.338 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.392 12.004 -4.929 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -12.126 11.904 -5.164 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -11.900 13.986 -3.336 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.466 14.201 -4.321 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.350 13.718 -6.264 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -13.334 14.510 -5.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.382 16.106 -6.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.763 16.361 -5.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.809 15.594 -6.200 1.00 0.00 H new ATOM 76 N HIS A 5 -9.370 10.873 -0.930 1.00 0.00 N ATOM 77 CA HIS A 5 -8.228 11.269 -0.107 1.00 0.00 C ATOM 78 C HIS A 5 -7.089 10.259 -0.236 1.00 0.00 C ATOM 79 O HIS A 5 -5.916 10.634 -0.262 1.00 0.00 O ATOM 80 CB HIS A 5 -8.648 11.397 1.360 1.00 0.00 C ATOM 81 CG HIS A 5 -8.345 12.734 1.965 1.00 0.00 C ATOM 82 ND1 HIS A 5 -8.343 13.910 1.243 1.00 0.00 N ATOM 83 CD2 HIS A 5 -8.035 13.078 3.238 1.00 0.00 C ATOM 84 CE1 HIS A 5 -8.045 14.917 2.045 1.00 0.00 C ATOM 85 NE2 HIS A 5 -7.855 14.439 3.260 1.00 0.00 N ATOM 0 H HIS A 5 -10.225 10.693 -0.404 1.00 0.00 H new ATOM 0 HA HIS A 5 -7.875 12.237 -0.462 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -9.719 11.208 1.439 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -8.144 10.624 1.941 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -7.946 12.407 4.079 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -7.970 15.955 1.755 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -7.613 14.991 4.083 1.00 0.00 H new ATOM 94 N CYS A 6 -7.447 8.975 -0.318 1.00 0.00 N ATOM 95 CA CYS A 6 -6.461 7.905 -0.449 1.00 0.00 C ATOM 96 C CYS A 6 -5.652 8.059 -1.737 1.00 0.00 C ATOM 97 O CYS A 6 -4.453 7.778 -1.761 1.00 0.00 O ATOM 98 CB CYS A 6 -7.150 6.537 -0.422 1.00 0.00 C ATOM 99 SG CYS A 6 -6.071 5.181 0.095 1.00 0.00 S ATOM 0 H CYS A 6 -8.415 8.653 -0.296 1.00 0.00 H new ATOM 0 HA CYS A 6 -5.776 7.974 0.396 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -8.005 6.585 0.253 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -7.540 6.318 -1.416 1.00 0.00 H new ATOM 0 HG CYS A 6 -6.393 4.100 -0.551 1.00 0.00 H new ATOM 105 N ASN A 7 -6.314 8.509 -2.806 1.00 0.00 N ATOM 106 CA ASN A 7 -5.652 8.704 -4.097 1.00 0.00 C ATOM 107 C ASN A 7 -4.472 9.667 -3.969 1.00 0.00 C ATOM 108 O ASN A 7 -3.411 9.441 -4.552 1.00 0.00 O ATOM 109 CB ASN A 7 -6.643 9.234 -5.138 1.00 0.00 C ATOM 110 CG ASN A 7 -7.212 8.129 -6.009 1.00 0.00 C ATOM 111 OD1 ASN A 7 -6.484 7.474 -6.753 1.00 0.00 O ATOM 112 ND2 ASN A 7 -8.521 7.917 -5.922 1.00 0.00 N ATOM 0 H ASN A 7 -7.306 8.745 -2.803 1.00 0.00 H new ATOM 0 HA ASN A 7 -5.276 7.735 -4.426 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -7.458 9.749 -4.630 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.145 9.970 -5.769 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -8.958 7.188 -6.486 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -9.089 8.483 -5.292 1.00 0.00 H new ATOM 119 N VAL A 8 -4.665 10.737 -3.198 1.00 0.00 N ATOM 120 CA VAL A 8 -3.616 11.733 -2.988 1.00 0.00 C ATOM 121 C VAL A 8 -2.384 11.102 -2.337 1.00 0.00 C ATOM 122 O VAL A 8 -1.250 11.444 -2.677 1.00 0.00 O ATOM 123 CB VAL A 8 -4.114 12.905 -2.113 1.00 0.00 C ATOM 124 CG1 VAL A 8 -3.076 14.018 -2.063 1.00 0.00 C ATOM 125 CG2 VAL A 8 -5.448 13.433 -2.627 1.00 0.00 C ATOM 0 H VAL A 8 -5.538 10.936 -2.709 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.345 12.121 -3.970 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.264 12.534 -1.099 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.447 14.833 -1.442 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.149 13.632 -1.640 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.889 14.386 -3.072 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.780 14.258 -1.996 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.330 13.785 -3.652 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.190 12.635 -2.601 1.00 0.00 H new ATOM 135 N ILE A 9 -2.616 10.173 -1.408 1.00 0.00 N ATOM 136 CA ILE A 9 -1.528 9.485 -0.716 1.00 0.00 C ATOM 137 C ILE A 9 -0.698 8.648 -1.692 1.00 0.00 C ATOM 138 O ILE A 9 0.521 8.545 -1.550 1.00 0.00 O ATOM 139 CB ILE A 9 -2.060 8.572 0.412 1.00 0.00 C ATOM 140 CG1 ILE A 9 -3.032 9.343 1.313 1.00 0.00 C ATOM 141 CG2 ILE A 9 -0.906 8.006 1.231 1.00 0.00 C ATOM 142 CD1 ILE A 9 -3.618 8.505 2.428 1.00 0.00 C ATOM 0 H ILE A 9 -3.549 9.880 -1.118 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.896 10.256 -0.275 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.598 7.741 -0.043 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.512 10.198 1.747 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.843 9.739 0.703 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.300 7.366 2.020 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.252 7.423 0.583 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.340 8.824 1.676 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.296 9.116 3.024 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.166 7.665 2.002 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.815 8.130 3.062 1.00 0.00 H new ATOM 154 N LEU A 10 -1.366 8.060 -2.687 1.00 0.00 N ATOM 155 CA LEU A 10 -0.685 7.240 -3.689 1.00 0.00 C ATOM 156 C LEU A 10 0.380 8.055 -4.424 1.00 0.00 C ATOM 157 O LEU A 10 1.472 7.556 -4.698 1.00 0.00 O ATOM 158 CB LEU A 10 -1.693 6.677 -4.697 1.00 0.00 C ATOM 159 CG LEU A 10 -1.392 5.263 -5.209 1.00 0.00 C ATOM 160 CD1 LEU A 10 -1.975 4.216 -4.270 1.00 0.00 C ATOM 161 CD2 LEU A 10 -1.938 5.079 -6.621 1.00 0.00 C ATOM 0 H LEU A 10 -2.374 8.137 -2.819 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.199 6.413 -3.172 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.680 6.675 -4.235 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.742 7.352 -5.552 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.310 5.132 -5.238 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.750 3.220 -4.651 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.537 4.332 -3.279 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.055 4.345 -4.207 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.715 4.070 -6.969 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.017 5.231 -6.616 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.472 5.804 -7.289 1.00 0.00 H new ATOM 173 N LYS A 11 0.052 9.311 -4.739 1.00 0.00 N ATOM 174 CA LYS A 11 0.978 10.196 -5.441 1.00 0.00 C ATOM 175 C LYS A 11 2.267 10.388 -4.642 1.00 0.00 C ATOM 176 O LYS A 11 3.361 10.362 -5.208 1.00 0.00 O ATOM 177 CB LYS A 11 0.322 11.553 -5.719 1.00 0.00 C ATOM 178 CG LYS A 11 -1.099 11.457 -6.262 1.00 0.00 C ATOM 179 CD LYS A 11 -1.294 12.345 -7.482 1.00 0.00 C ATOM 180 CE LYS A 11 -1.762 13.739 -7.090 1.00 0.00 C ATOM 181 NZ LYS A 11 -1.154 14.798 -7.947 1.00 0.00 N ATOM 0 H LYS A 11 -0.849 9.736 -4.518 1.00 0.00 H new ATOM 0 HA LYS A 11 1.231 9.727 -6.392 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.309 12.134 -4.797 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.936 12.102 -6.433 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.319 10.422 -6.525 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.806 11.746 -5.485 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.357 12.417 -8.034 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.024 11.890 -8.151 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.848 13.791 -7.166 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.507 13.927 -6.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.501 15.731 -7.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.119 14.767 -7.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.418 14.636 -8.940 1.00 0.00 H new ATOM 195 N GLU A 12 2.135 10.568 -3.324 1.00 0.00 N ATOM 196 CA GLU A 12 3.300 10.749 -2.455 1.00 0.00 C ATOM 197 C GLU A 12 4.164 9.486 -2.431 1.00 0.00 C ATOM 198 O GLU A 12 5.391 9.570 -2.361 1.00 0.00 O ATOM 199 CB GLU A 12 2.869 11.110 -1.031 1.00 0.00 C ATOM 200 CG GLU A 12 3.983 11.752 -0.207 1.00 0.00 C ATOM 201 CD GLU A 12 3.867 11.495 1.291 1.00 0.00 C ATOM 202 OE1 GLU A 12 3.039 10.653 1.702 1.00 0.00 O ATOM 203 OE2 GLU A 12 4.613 12.142 2.057 1.00 0.00 O ATOM 0 H GLU A 12 1.238 10.592 -2.839 1.00 0.00 H new ATOM 0 HA GLU A 12 3.890 11.570 -2.861 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.021 11.793 -1.078 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.524 10.209 -0.524 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.944 11.376 -0.557 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.978 12.828 -0.383 1.00 0.00 H new ATOM 210 N LEU A 13 3.517 8.316 -2.496 1.00 0.00 N ATOM 211 CA LEU A 13 4.233 7.041 -2.488 1.00 0.00 C ATOM 212 C LEU A 13 5.214 6.957 -3.662 1.00 0.00 C ATOM 213 O LEU A 13 6.346 6.502 -3.499 1.00 0.00 O ATOM 214 CB LEU A 13 3.246 5.866 -2.545 1.00 0.00 C ATOM 215 CG LEU A 13 3.038 5.125 -1.217 1.00 0.00 C ATOM 216 CD1 LEU A 13 1.701 5.499 -0.592 1.00 0.00 C ATOM 217 CD2 LEU A 13 3.129 3.617 -1.423 1.00 0.00 C ATOM 0 H LEU A 13 2.502 8.229 -2.554 1.00 0.00 H new ATOM 0 HA LEU A 13 4.799 6.981 -1.558 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.282 6.238 -2.890 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.597 5.152 -3.290 1.00 0.00 H new ATOM 0 HG LEU A 13 3.831 5.427 -0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.576 4.962 0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.675 6.572 -0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.893 5.231 -1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.979 3.110 -0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.361 3.299 -2.128 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.112 3.362 -1.818 1.00 0.00 H new ATOM 229 N LEU A 14 4.776 7.406 -4.840 1.00 0.00 N ATOM 230 CA LEU A 14 5.620 7.385 -6.038 1.00 0.00 C ATOM 231 C LEU A 14 6.427 8.682 -6.196 1.00 0.00 C ATOM 232 O LEU A 14 7.328 8.750 -7.032 1.00 0.00 O ATOM 233 CB LEU A 14 4.760 7.158 -7.287 1.00 0.00 C ATOM 234 CG LEU A 14 5.532 6.765 -8.552 1.00 0.00 C ATOM 235 CD1 LEU A 14 4.743 5.750 -9.367 1.00 0.00 C ATOM 236 CD2 LEU A 14 5.849 7.993 -9.395 1.00 0.00 C ATOM 0 H LEU A 14 3.842 7.788 -4.991 1.00 0.00 H new ATOM 0 HA LEU A 14 6.327 6.563 -5.922 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.031 6.377 -7.069 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.199 8.070 -7.492 1.00 0.00 H new ATOM 0 HG LEU A 14 6.473 6.307 -8.247 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.307 5.483 -10.261 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.570 4.857 -8.767 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.786 6.182 -9.658 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.397 7.690 -10.287 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.920 8.483 -9.688 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.457 8.686 -8.814 1.00 0.00 H new ATOM 248 N SER A 15 6.098 9.707 -5.404 1.00 0.00 N ATOM 249 CA SER A 15 6.792 10.995 -5.475 1.00 0.00 C ATOM 250 C SER A 15 8.313 10.827 -5.340 1.00 0.00 C ATOM 251 O SER A 15 9.012 10.660 -6.342 1.00 0.00 O ATOM 252 CB SER A 15 6.255 11.950 -4.400 1.00 0.00 C ATOM 253 OG SER A 15 6.971 13.176 -4.393 1.00 0.00 O ATOM 0 H SER A 15 5.355 9.669 -4.706 1.00 0.00 H new ATOM 0 HA SER A 15 6.597 11.425 -6.457 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.198 12.145 -4.580 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.330 11.477 -3.421 1.00 0.00 H new ATOM 0 HG SER A 15 6.606 13.764 -3.700 1.00 0.00 H new ATOM 259 N LYS A 16 8.824 10.883 -4.106 1.00 0.00 N ATOM 260 CA LYS A 16 10.262 10.745 -3.862 1.00 0.00 C ATOM 261 C LYS A 16 10.542 10.230 -2.447 1.00 0.00 C ATOM 262 O LYS A 16 11.314 9.288 -2.266 1.00 0.00 O ATOM 263 CB LYS A 16 10.973 12.089 -4.076 1.00 0.00 C ATOM 264 CG LYS A 16 10.677 12.731 -5.424 1.00 0.00 C ATOM 265 CD LYS A 16 11.523 13.969 -5.661 1.00 0.00 C ATOM 266 CE LYS A 16 11.469 14.403 -7.119 1.00 0.00 C ATOM 267 NZ LYS A 16 12.727 15.073 -7.552 1.00 0.00 N ATOM 0 H LYS A 16 8.265 11.022 -3.264 1.00 0.00 H new ATOM 0 HA LYS A 16 10.649 10.016 -4.574 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.677 12.776 -3.284 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.049 11.940 -3.983 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.862 12.008 -6.218 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.621 12.998 -5.475 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.171 14.780 -5.024 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.556 13.766 -5.377 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.287 13.532 -7.749 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.629 15.082 -7.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.646 15.352 -8.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.888 15.919 -6.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.526 14.417 -7.439 1.00 0.00 H new ATOM 281 N LYS A 17 9.912 10.860 -1.450 1.00 0.00 N ATOM 282 CA LYS A 17 10.088 10.479 -0.046 1.00 0.00 C ATOM 283 C LYS A 17 9.891 8.975 0.162 1.00 0.00 C ATOM 284 O LYS A 17 10.690 8.329 0.843 1.00 0.00 O ATOM 285 CB LYS A 17 9.110 11.262 0.838 1.00 0.00 C ATOM 286 CG LYS A 17 9.229 10.944 2.321 1.00 0.00 C ATOM 287 CD LYS A 17 8.639 12.054 3.177 1.00 0.00 C ATOM 288 CE LYS A 17 9.649 12.583 4.186 1.00 0.00 C ATOM 289 NZ LYS A 17 9.019 12.867 5.506 1.00 0.00 N ATOM 0 H LYS A 17 9.272 11.641 -1.592 1.00 0.00 H new ATOM 0 HA LYS A 17 11.112 10.723 0.238 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.277 12.329 0.691 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.092 11.051 0.512 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.717 10.006 2.536 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.278 10.801 2.581 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.304 12.869 2.536 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.760 11.680 3.703 1.00 0.00 H new ATOM 0 HE2 LYS A 17 10.449 11.854 4.315 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.106 13.493 3.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.740 13.225 6.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.272 13.581 5.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.605 11.993 5.888 1.00 0.00 H new ATOM 303 N HIS A 18 8.825 8.427 -0.421 1.00 0.00 N ATOM 304 CA HIS A 18 8.527 7.001 -0.291 1.00 0.00 C ATOM 305 C HIS A 18 8.676 6.267 -1.626 1.00 0.00 C ATOM 306 O HIS A 18 8.178 5.149 -1.786 1.00 0.00 O ATOM 307 CB HIS A 18 7.112 6.818 0.259 1.00 0.00 C ATOM 308 CG HIS A 18 6.903 7.510 1.568 1.00 0.00 C ATOM 309 ND1 HIS A 18 7.383 7.019 2.762 1.00 0.00 N ATOM 310 CD2 HIS A 18 6.280 8.674 1.864 1.00 0.00 C ATOM 311 CE1 HIS A 18 7.065 7.849 3.737 1.00 0.00 C ATOM 312 NE2 HIS A 18 6.395 8.863 3.218 1.00 0.00 N ATOM 0 H HIS A 18 8.155 8.948 -0.987 1.00 0.00 H new ATOM 0 HA HIS A 18 9.247 6.567 0.403 1.00 0.00 H new ATOM 0 HB2 HIS A 18 6.393 7.199 -0.467 1.00 0.00 H new ATOM 0 HB3 HIS A 18 6.909 5.754 0.380 1.00 0.00 H new ATOM 0 HD2 HIS A 18 5.785 9.332 1.165 1.00 0.00 H new ATOM 0 HE1 HIS A 18 7.310 7.722 4.781 1.00 0.00 H new ATOM 0 HE2 HIS A 18 6.024 9.657 3.739 1.00 0.00 H new ATOM 321 N ALA A 19 9.371 6.894 -2.578 1.00 0.00 N ATOM 322 CA ALA A 19 9.590 6.296 -3.893 1.00 0.00 C ATOM 323 C ALA A 19 10.543 5.106 -3.811 1.00 0.00 C ATOM 324 O ALA A 19 10.355 4.110 -4.510 1.00 0.00 O ATOM 325 CB ALA A 19 10.128 7.330 -4.868 1.00 0.00 C ATOM 0 H ALA A 19 9.791 7.816 -2.461 1.00 0.00 H new ATOM 0 HA ALA A 19 8.627 5.935 -4.256 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.285 6.865 -5.841 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.411 8.145 -4.966 1.00 0.00 H new ATOM 0 HB3 ALA A 19 11.075 7.722 -4.497 1.00 0.00 H new ATOM 331 N ALA A 20 11.563 5.213 -2.953 1.00 0.00 N ATOM 332 CA ALA A 20 12.542 4.137 -2.782 1.00 0.00 C ATOM 333 C ALA A 20 11.871 2.833 -2.345 1.00 0.00 C ATOM 334 O ALA A 20 12.382 1.745 -2.616 1.00 0.00 O ATOM 335 CB ALA A 20 13.618 4.542 -1.784 1.00 0.00 C ATOM 0 H ALA A 20 11.731 6.032 -2.368 1.00 0.00 H new ATOM 0 HA ALA A 20 13.012 3.963 -3.750 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.335 3.729 -1.672 1.00 0.00 H new ATOM 0 HB2 ALA A 20 14.133 5.432 -2.145 1.00 0.00 H new ATOM 0 HB3 ALA A 20 13.158 4.756 -0.819 1.00 0.00 H new ATOM 341 N TYR A 21 10.722 2.949 -1.677 1.00 0.00 N ATOM 342 CA TYR A 21 9.970 1.781 -1.217 1.00 0.00 C ATOM 343 C TYR A 21 8.794 1.474 -2.156 1.00 0.00 C ATOM 344 O TYR A 21 8.156 0.424 -2.043 1.00 0.00 O ATOM 345 CB TYR A 21 9.451 2.000 0.210 1.00 0.00 C ATOM 346 CG TYR A 21 10.445 2.681 1.128 1.00 0.00 C ATOM 347 CD1 TYR A 21 10.599 4.062 1.114 1.00 0.00 C ATOM 348 CD2 TYR A 21 11.229 1.943 2.004 1.00 0.00 C ATOM 349 CE1 TYR A 21 11.508 4.687 1.945 1.00 0.00 C ATOM 350 CE2 TYR A 21 12.139 2.560 2.840 1.00 0.00 C ATOM 351 CZ TYR A 21 12.275 3.932 2.807 1.00 0.00 C ATOM 352 OH TYR A 21 13.184 4.549 3.637 1.00 0.00 O ATOM 0 H TYR A 21 10.291 3.843 -1.442 1.00 0.00 H new ATOM 0 HA TYR A 21 10.649 0.928 -1.222 1.00 0.00 H new ATOM 0 HB2 TYR A 21 8.542 2.599 0.167 1.00 0.00 H new ATOM 0 HB3 TYR A 21 9.177 1.036 0.638 1.00 0.00 H new ATOM 0 HD1 TYR A 21 9.998 4.657 0.442 1.00 0.00 H new ATOM 0 HD2 TYR A 21 11.126 0.868 2.032 1.00 0.00 H new ATOM 0 HE1 TYR A 21 11.617 5.761 1.920 1.00 0.00 H new ATOM 0 HE2 TYR A 21 12.741 1.971 3.516 1.00 0.00 H new ATOM 0 HH TYR A 21 12.866 5.449 3.859 1.00 0.00 H new ATOM 362 N ALA A 22 8.508 2.399 -3.081 1.00 0.00 N ATOM 363 CA ALA A 22 7.412 2.235 -4.031 1.00 0.00 C ATOM 364 C ALA A 22 7.785 1.296 -5.175 1.00 0.00 C ATOM 365 O ALA A 22 7.015 0.400 -5.513 1.00 0.00 O ATOM 366 CB ALA A 22 6.985 3.587 -4.584 1.00 0.00 C ATOM 0 H ALA A 22 9.026 3.271 -3.188 1.00 0.00 H new ATOM 0 HA ALA A 22 6.578 1.785 -3.492 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.167 3.449 -5.291 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.654 4.226 -3.766 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.828 4.055 -5.092 1.00 0.00 H new ATOM 372 N TRP A 23 8.959 1.509 -5.779 1.00 0.00 N ATOM 373 CA TRP A 23 9.402 0.674 -6.899 1.00 0.00 C ATOM 374 C TRP A 23 9.641 -0.790 -6.494 1.00 0.00 C ATOM 375 O TRP A 23 9.320 -1.692 -7.270 1.00 0.00 O ATOM 376 CB TRP A 23 10.652 1.259 -7.575 1.00 0.00 C ATOM 377 CG TRP A 23 11.882 1.239 -6.724 1.00 0.00 C ATOM 378 CD1 TRP A 23 12.327 2.238 -5.910 1.00 0.00 C ATOM 379 CD2 TRP A 23 12.831 0.172 -6.609 1.00 0.00 C ATOM 380 NE1 TRP A 23 13.488 1.856 -5.286 1.00 0.00 N ATOM 381 CE2 TRP A 23 13.820 0.592 -5.701 1.00 0.00 C ATOM 382 CE3 TRP A 23 12.938 -1.099 -7.182 1.00 0.00 C ATOM 383 CZ2 TRP A 23 14.903 -0.213 -5.354 1.00 0.00 C ATOM 384 CZ3 TRP A 23 14.013 -1.896 -6.838 1.00 0.00 C ATOM 385 CH2 TRP A 23 14.982 -1.451 -5.931 1.00 0.00 C ATOM 0 H TRP A 23 9.613 2.245 -5.514 1.00 0.00 H new ATOM 0 HA TRP A 23 8.584 0.676 -7.620 1.00 0.00 H new ATOM 0 HB2 TRP A 23 10.849 0.701 -8.491 1.00 0.00 H new ATOM 0 HB3 TRP A 23 10.444 2.288 -7.867 1.00 0.00 H new ATOM 0 HD1 TRP A 23 11.837 3.191 -5.776 1.00 0.00 H new ATOM 0 HE1 TRP A 23 14.018 2.420 -4.622 1.00 0.00 H new ATOM 0 HE3 TRP A 23 12.194 -1.451 -7.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 15.653 0.128 -4.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 14.107 -2.879 -7.276 1.00 0.00 H new ATOM 0 HH2 TRP A 23 15.809 -2.099 -5.681 1.00 0.00 H new ATOM 396 N PRO A 24 10.196 -1.073 -5.286 1.00 0.00 N ATOM 397 CA PRO A 24 10.440 -2.456 -4.853 1.00 0.00 C ATOM 398 C PRO A 24 9.140 -3.234 -4.660 1.00 0.00 C ATOM 399 O PRO A 24 9.055 -4.411 -5.013 1.00 0.00 O ATOM 400 CB PRO A 24 11.182 -2.302 -3.522 1.00 0.00 C ATOM 401 CG PRO A 24 10.812 -0.949 -3.031 1.00 0.00 C ATOM 402 CD PRO A 24 10.621 -0.101 -4.257 1.00 0.00 C ATOM 0 HA PRO A 24 11.005 -3.020 -5.596 1.00 0.00 H new ATOM 0 HB2 PRO A 24 10.885 -3.074 -2.813 1.00 0.00 H new ATOM 0 HB3 PRO A 24 12.260 -2.392 -3.658 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.899 -0.986 -2.436 1.00 0.00 H new ATOM 0 HG3 PRO A 24 11.593 -0.539 -2.391 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.868 0.670 -4.098 1.00 0.00 H new ATOM 0 HD3 PRO A 24 11.542 0.407 -4.541 1.00 0.00 H new ATOM 410 N PHE A 25 8.125 -2.564 -4.109 1.00 0.00 N ATOM 411 CA PHE A 25 6.823 -3.189 -3.881 1.00 0.00 C ATOM 412 C PHE A 25 5.864 -2.946 -5.059 1.00 0.00 C ATOM 413 O PHE A 25 4.715 -3.394 -5.029 1.00 0.00 O ATOM 414 CB PHE A 25 6.203 -2.664 -2.581 1.00 0.00 C ATOM 415 CG PHE A 25 6.708 -3.358 -1.343 1.00 0.00 C ATOM 416 CD1 PHE A 25 6.554 -4.728 -1.186 1.00 0.00 C ATOM 417 CD2 PHE A 25 7.334 -2.640 -0.335 1.00 0.00 C ATOM 418 CE1 PHE A 25 7.014 -5.366 -0.049 1.00 0.00 C ATOM 419 CE2 PHE A 25 7.795 -3.274 0.804 1.00 0.00 C ATOM 420 CZ PHE A 25 7.635 -4.638 0.947 1.00 0.00 C ATOM 0 H PHE A 25 8.181 -1.589 -3.813 1.00 0.00 H new ATOM 0 HA PHE A 25 6.982 -4.264 -3.796 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.408 -1.597 -2.497 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.120 -2.778 -2.634 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.069 -5.303 -1.961 1.00 0.00 H new ATOM 0 HD2 PHE A 25 7.463 -1.573 -0.441 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.888 -6.433 0.060 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.280 -2.703 1.582 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.995 -5.135 1.836 1.00 0.00 H new ATOM 430 N TYR A 26 6.335 -2.234 -6.090 1.00 0.00 N ATOM 431 CA TYR A 26 5.518 -1.934 -7.261 1.00 0.00 C ATOM 432 C TYR A 26 5.341 -3.167 -8.147 1.00 0.00 C ATOM 433 O TYR A 26 4.214 -3.558 -8.459 1.00 0.00 O ATOM 434 CB TYR A 26 6.160 -0.806 -8.070 1.00 0.00 C ATOM 435 CG TYR A 26 5.194 0.284 -8.476 1.00 0.00 C ATOM 436 CD1 TYR A 26 4.086 0.001 -9.264 1.00 0.00 C ATOM 437 CD2 TYR A 26 5.393 1.597 -8.070 1.00 0.00 C ATOM 438 CE1 TYR A 26 3.205 0.997 -9.637 1.00 0.00 C ATOM 439 CE2 TYR A 26 4.517 2.598 -8.438 1.00 0.00 C ATOM 440 CZ TYR A 26 3.424 2.293 -9.221 1.00 0.00 C ATOM 441 OH TYR A 26 2.548 3.287 -9.592 1.00 0.00 O ATOM 0 H TYR A 26 7.281 -1.856 -6.132 1.00 0.00 H new ATOM 0 HA TYR A 26 4.534 -1.621 -6.912 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.965 -0.364 -7.483 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.614 -1.228 -8.967 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.911 -1.014 -9.590 1.00 0.00 H new ATOM 0 HD2 TYR A 26 6.248 1.839 -7.456 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.349 0.762 -10.252 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.687 3.614 -8.114 1.00 0.00 H new ATOM 0 HH TYR A 26 2.528 3.980 -8.900 1.00 0.00 H new ATOM 451 N LYS A 27 6.462 -3.768 -8.553 1.00 0.00 N ATOM 452 CA LYS A 27 6.438 -4.955 -9.410 1.00 0.00 C ATOM 453 C LYS A 27 5.657 -6.094 -8.752 1.00 0.00 C ATOM 454 O LYS A 27 5.705 -6.266 -7.532 1.00 0.00 O ATOM 455 CB LYS A 27 7.867 -5.415 -9.728 1.00 0.00 C ATOM 456 CG LYS A 27 8.240 -5.284 -11.198 1.00 0.00 C ATOM 457 CD LYS A 27 8.696 -3.873 -11.538 1.00 0.00 C ATOM 458 CE LYS A 27 9.597 -3.858 -12.765 1.00 0.00 C ATOM 459 NZ LYS A 27 9.551 -2.551 -13.482 1.00 0.00 N ATOM 0 H LYS A 27 7.398 -3.451 -8.302 1.00 0.00 H new ATOM 0 HA LYS A 27 5.935 -4.686 -10.339 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.568 -4.832 -9.131 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.980 -6.456 -9.425 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.035 -5.991 -11.436 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.382 -5.548 -11.816 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.826 -3.241 -11.717 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.230 -3.447 -10.688 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.623 -4.069 -12.463 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.295 -4.654 -13.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.179 -2.587 -14.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.577 -2.360 -13.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.864 -1.793 -12.842 1.00 0.00 H new ATOM 473 N PRO A 28 4.925 -6.889 -9.558 1.00 0.00 N ATOM 474 CA PRO A 28 4.131 -8.014 -9.050 1.00 0.00 C ATOM 475 C PRO A 28 4.999 -9.209 -8.648 1.00 0.00 C ATOM 476 O PRO A 28 6.229 -9.129 -8.665 1.00 0.00 O ATOM 477 CB PRO A 28 3.237 -8.371 -10.238 1.00 0.00 C ATOM 478 CG PRO A 28 4.026 -7.969 -11.435 1.00 0.00 C ATOM 479 CD PRO A 28 4.812 -6.753 -11.026 1.00 0.00 C ATOM 0 HA PRO A 28 3.581 -7.754 -8.146 1.00 0.00 H new ATOM 0 HB2 PRO A 28 3.006 -9.436 -10.255 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.286 -7.840 -10.193 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.689 -8.773 -11.753 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.371 -7.745 -12.277 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.792 -6.730 -11.503 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.300 -5.832 -11.305 1.00 0.00 H new ATOM 487 N VAL A 29 4.351 -10.317 -8.286 1.00 0.00 N ATOM 488 CA VAL A 29 5.062 -11.525 -7.881 1.00 0.00 C ATOM 489 C VAL A 29 4.611 -12.727 -8.712 1.00 0.00 C ATOM 490 O VAL A 29 3.526 -13.273 -8.499 1.00 0.00 O ATOM 491 CB VAL A 29 4.858 -11.831 -6.381 1.00 0.00 C ATOM 492 CG1 VAL A 29 5.774 -12.963 -5.936 1.00 0.00 C ATOM 493 CG2 VAL A 29 5.096 -10.581 -5.542 1.00 0.00 C ATOM 0 H VAL A 29 3.335 -10.400 -8.266 1.00 0.00 H new ATOM 0 HA VAL A 29 6.123 -11.344 -8.055 1.00 0.00 H new ATOM 0 HB VAL A 29 3.826 -12.150 -6.232 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.616 -13.164 -4.876 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.550 -13.860 -6.513 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.813 -12.676 -6.100 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.948 -10.816 -4.488 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.116 -10.229 -5.695 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.395 -9.802 -5.842 1.00 0.00 H new ATOM 503 N ASP A 30 5.457 -13.128 -9.660 1.00 0.00 N ATOM 504 CA ASP A 30 5.162 -14.260 -10.532 1.00 0.00 C ATOM 505 C ASP A 30 6.086 -15.434 -10.220 1.00 0.00 C ATOM 506 O ASP A 30 7.224 -15.487 -10.689 1.00 0.00 O ATOM 507 CB ASP A 30 5.306 -13.851 -12.000 1.00 0.00 C ATOM 508 CG ASP A 30 4.721 -14.869 -12.968 1.00 0.00 C ATOM 509 OD1 ASP A 30 4.475 -16.022 -12.556 1.00 0.00 O ATOM 510 OD2 ASP A 30 4.514 -14.510 -14.144 1.00 0.00 O ATOM 0 H ASP A 30 6.356 -12.682 -9.843 1.00 0.00 H new ATOM 0 HA ASP A 30 4.133 -14.572 -10.353 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.814 -12.890 -12.152 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.362 -13.708 -12.228 1.00 0.00 H new ATOM 515 N ALA A 31 5.584 -16.369 -9.420 1.00 0.00 N ATOM 516 CA ALA A 31 6.354 -17.551 -9.029 1.00 0.00 C ATOM 517 C ALA A 31 6.674 -18.445 -10.228 1.00 0.00 C ATOM 518 O ALA A 31 7.690 -19.142 -10.229 1.00 0.00 O ATOM 519 CB ALA A 31 5.606 -18.349 -7.972 1.00 0.00 C ATOM 0 H ALA A 31 4.644 -16.333 -9.027 1.00 0.00 H new ATOM 0 HA ALA A 31 7.298 -17.199 -8.613 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.193 -19.224 -7.693 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.444 -17.726 -7.093 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.644 -18.670 -8.372 1.00 0.00 H new ATOM 525 N SER A 32 5.806 -18.427 -11.244 1.00 0.00 N ATOM 526 CA SER A 32 6.011 -19.243 -12.442 1.00 0.00 C ATOM 527 C SER A 32 7.189 -18.721 -13.264 1.00 0.00 C ATOM 528 O SER A 32 7.996 -19.503 -13.768 1.00 0.00 O ATOM 529 CB SER A 32 4.742 -19.273 -13.304 1.00 0.00 C ATOM 530 OG SER A 32 3.812 -20.222 -12.811 1.00 0.00 O ATOM 0 H SER A 32 4.959 -17.859 -11.260 1.00 0.00 H new ATOM 0 HA SER A 32 6.238 -20.258 -12.117 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.284 -18.284 -13.317 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.004 -19.517 -14.334 1.00 0.00 H new ATOM 0 HG SER A 32 3.012 -20.220 -13.377 1.00 0.00 H new ATOM 536 N ALA A 33 7.279 -17.397 -13.394 1.00 0.00 N ATOM 537 CA ALA A 33 8.357 -16.769 -14.154 1.00 0.00 C ATOM 538 C ALA A 33 9.641 -16.693 -13.326 1.00 0.00 C ATOM 539 O ALA A 33 10.691 -17.172 -13.755 1.00 0.00 O ATOM 540 CB ALA A 33 7.937 -15.380 -14.619 1.00 0.00 C ATOM 0 H ALA A 33 6.617 -16.739 -12.982 1.00 0.00 H new ATOM 0 HA ALA A 33 8.559 -17.385 -15.030 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.750 -14.924 -15.184 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.055 -15.460 -15.254 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.706 -14.761 -13.752 1.00 0.00 H new ATOM 546 N LEU A 34 9.550 -16.087 -12.140 1.00 0.00 N ATOM 547 CA LEU A 34 10.707 -15.947 -11.255 1.00 0.00 C ATOM 548 C LEU A 34 11.147 -17.303 -10.700 1.00 0.00 C ATOM 549 O LEU A 34 12.279 -17.734 -10.927 1.00 0.00 O ATOM 550 CB LEU A 34 10.390 -14.990 -10.100 1.00 0.00 C ATOM 551 CG LEU A 34 11.100 -13.634 -10.162 1.00 0.00 C ATOM 552 CD1 LEU A 34 10.177 -12.526 -9.675 1.00 0.00 C ATOM 553 CD2 LEU A 34 12.385 -13.662 -9.343 1.00 0.00 C ATOM 0 H LEU A 34 8.688 -15.686 -11.771 1.00 0.00 H new ATOM 0 HA LEU A 34 11.526 -15.534 -11.845 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.314 -14.818 -10.077 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.655 -15.478 -9.162 1.00 0.00 H new ATOM 0 HG LEU A 34 11.362 -13.431 -11.200 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.698 -11.570 -9.726 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.289 -12.489 -10.305 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.883 -12.724 -8.644 1.00 0.00 H new ATOM 0 HD21 LEU A 34 12.874 -12.690 -9.400 1.00 0.00 H new ATOM 0 HD22 LEU A 34 12.149 -13.889 -8.303 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.052 -14.428 -9.739 1.00 0.00 H new ATOM 565 N GLY A 35 10.248 -17.966 -9.972 1.00 0.00 N ATOM 566 CA GLY A 35 10.561 -19.263 -9.393 1.00 0.00 C ATOM 567 C GLY A 35 10.488 -19.253 -7.879 1.00 0.00 C ATOM 568 O GLY A 35 11.518 -19.225 -7.204 1.00 0.00 O ATOM 0 H GLY A 35 9.307 -17.626 -9.773 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.868 -20.009 -9.782 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.561 -19.565 -9.704 1.00 0.00 H new ATOM 572 N LEU A 36 9.268 -19.274 -7.342 1.00 0.00 N ATOM 573 CA LEU A 36 9.069 -19.263 -5.895 1.00 0.00 C ATOM 574 C LEU A 36 7.910 -20.172 -5.487 1.00 0.00 C ATOM 575 O LEU A 36 6.793 -19.705 -5.250 1.00 0.00 O ATOM 576 CB LEU A 36 8.814 -17.835 -5.405 1.00 0.00 C ATOM 577 CG LEU A 36 10.073 -17.039 -5.053 1.00 0.00 C ATOM 578 CD1 LEU A 36 9.965 -15.613 -5.572 1.00 0.00 C ATOM 579 CD2 LEU A 36 10.308 -17.050 -3.549 1.00 0.00 C ATOM 0 H LEU A 36 8.406 -19.299 -7.886 1.00 0.00 H new ATOM 0 HA LEU A 36 9.978 -19.644 -5.430 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.264 -17.295 -6.176 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.171 -17.878 -4.526 1.00 0.00 H new ATOM 0 HG LEU A 36 10.928 -17.513 -5.535 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.869 -15.062 -5.313 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.848 -15.628 -6.656 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.101 -15.126 -5.120 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.207 -16.479 -3.317 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.453 -16.601 -3.044 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.432 -18.078 -3.208 1.00 0.00 H new ATOM 591 N HIS A 37 8.185 -21.472 -5.396 1.00 0.00 N ATOM 592 CA HIS A 37 7.166 -22.442 -5.005 1.00 0.00 C ATOM 593 C HIS A 37 6.777 -22.259 -3.538 1.00 0.00 C ATOM 594 O HIS A 37 5.602 -22.368 -3.185 1.00 0.00 O ATOM 595 CB HIS A 37 7.655 -23.872 -5.252 1.00 0.00 C ATOM 596 CG HIS A 37 7.394 -24.353 -6.646 1.00 0.00 C ATOM 597 ND1 HIS A 37 8.391 -24.540 -7.580 1.00 0.00 N ATOM 598 CD2 HIS A 37 6.235 -24.678 -7.266 1.00 0.00 C ATOM 599 CE1 HIS A 37 7.856 -24.958 -8.714 1.00 0.00 C ATOM 600 NE2 HIS A 37 6.550 -25.050 -8.550 1.00 0.00 N ATOM 0 H HIS A 37 9.102 -21.876 -5.587 1.00 0.00 H new ATOM 0 HA HIS A 37 6.283 -22.268 -5.620 1.00 0.00 H new ATOM 0 HB2 HIS A 37 8.725 -23.923 -5.052 1.00 0.00 H new ATOM 0 HB3 HIS A 37 7.166 -24.543 -4.546 1.00 0.00 H new ATOM 0 HD2 HIS A 37 5.247 -24.650 -6.832 1.00 0.00 H new ATOM 0 HE1 HIS A 37 8.396 -25.186 -9.621 1.00 0.00 H new ATOM 0 HE2 HIS A 37 5.883 -25.349 -9.261 1.00 0.00 H new ATOM 609 N ASP A 38 7.769 -21.970 -2.689 1.00 0.00 N ATOM 610 CA ASP A 38 7.523 -21.760 -1.263 1.00 0.00 C ATOM 611 C ASP A 38 6.650 -20.525 -1.036 1.00 0.00 C ATOM 612 O ASP A 38 5.740 -20.545 -0.206 1.00 0.00 O ATOM 613 CB ASP A 38 8.845 -21.609 -0.498 1.00 0.00 C ATOM 614 CG ASP A 38 9.295 -22.902 0.160 1.00 0.00 C ATOM 615 OD1 ASP A 38 8.451 -23.583 0.781 1.00 0.00 O ATOM 616 OD2 ASP A 38 10.496 -23.230 0.060 1.00 0.00 O ATOM 0 H ASP A 38 8.746 -21.877 -2.966 1.00 0.00 H new ATOM 0 HA ASP A 38 6.996 -22.636 -0.886 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.620 -21.267 -1.184 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.732 -20.839 0.265 1.00 0.00 H new ATOM 621 N TYR A 39 6.931 -19.451 -1.780 1.00 0.00 N ATOM 622 CA TYR A 39 6.169 -18.207 -1.658 1.00 0.00 C ATOM 623 C TYR A 39 4.693 -18.430 -1.983 1.00 0.00 C ATOM 624 O TYR A 39 3.819 -18.035 -1.213 1.00 0.00 O ATOM 625 CB TYR A 39 6.748 -17.128 -2.577 1.00 0.00 C ATOM 626 CG TYR A 39 6.366 -15.721 -2.176 1.00 0.00 C ATOM 627 CD1 TYR A 39 6.860 -15.153 -1.009 1.00 0.00 C ATOM 628 CD2 TYR A 39 5.514 -14.960 -2.966 1.00 0.00 C ATOM 629 CE1 TYR A 39 6.516 -13.868 -0.639 1.00 0.00 C ATOM 630 CE2 TYR A 39 5.165 -13.673 -2.603 1.00 0.00 C ATOM 631 CZ TYR A 39 5.669 -13.132 -1.439 1.00 0.00 C ATOM 632 OH TYR A 39 5.324 -11.850 -1.075 1.00 0.00 O ATOM 0 H TYR A 39 7.680 -19.419 -2.472 1.00 0.00 H new ATOM 0 HA TYR A 39 6.247 -17.871 -0.624 1.00 0.00 H new ATOM 0 HB2 TYR A 39 7.835 -17.213 -2.583 1.00 0.00 H new ATOM 0 HB3 TYR A 39 6.409 -17.311 -3.597 1.00 0.00 H new ATOM 0 HD1 TYR A 39 7.525 -15.726 -0.380 1.00 0.00 H new ATOM 0 HD2 TYR A 39 5.118 -15.381 -3.878 1.00 0.00 H new ATOM 0 HE1 TYR A 39 6.909 -13.442 0.272 1.00 0.00 H new ATOM 0 HE2 TYR A 39 4.501 -13.094 -3.228 1.00 0.00 H new ATOM 0 HH TYR A 39 4.721 -11.470 -1.748 1.00 0.00 H new ATOM 642 N HIS A 40 4.420 -19.066 -3.124 1.00 0.00 N ATOM 643 CA HIS A 40 3.043 -19.339 -3.536 1.00 0.00 C ATOM 644 C HIS A 40 2.339 -20.252 -2.530 1.00 0.00 C ATOM 645 O HIS A 40 1.132 -20.129 -2.314 1.00 0.00 O ATOM 646 CB HIS A 40 3.009 -19.976 -4.930 1.00 0.00 C ATOM 647 CG HIS A 40 1.736 -19.719 -5.684 1.00 0.00 C ATOM 648 ND1 HIS A 40 0.540 -19.398 -5.070 1.00 0.00 N ATOM 649 CD2 HIS A 40 1.478 -19.738 -7.014 1.00 0.00 C ATOM 650 CE1 HIS A 40 -0.395 -19.233 -5.990 1.00 0.00 C ATOM 651 NE2 HIS A 40 0.149 -19.433 -7.176 1.00 0.00 N ATOM 0 H HIS A 40 5.130 -19.400 -3.776 1.00 0.00 H new ATOM 0 HA HIS A 40 2.514 -18.387 -3.570 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.848 -19.597 -5.513 1.00 0.00 H new ATOM 0 HB3 HIS A 40 3.150 -21.052 -4.831 1.00 0.00 H new ATOM 0 HD1 HIS A 40 0.401 -19.303 -4.064 1.00 0.00 H new ATOM 0 HD2 HIS A 40 2.186 -19.953 -7.801 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.428 -18.978 -5.803 1.00 0.00 H new ATOM 660 N ASP A 41 3.096 -21.169 -1.922 1.00 0.00 N ATOM 661 CA ASP A 41 2.540 -22.101 -0.943 1.00 0.00 C ATOM 662 C ASP A 41 2.196 -21.394 0.369 1.00 0.00 C ATOM 663 O ASP A 41 1.053 -21.446 0.824 1.00 0.00 O ATOM 664 CB ASP A 41 3.522 -23.250 -0.674 1.00 0.00 C ATOM 665 CG ASP A 41 2.825 -24.542 -0.278 1.00 0.00 C ATOM 666 OD1 ASP A 41 1.748 -24.476 0.353 1.00 0.00 O ATOM 667 OD2 ASP A 41 3.361 -25.623 -0.598 1.00 0.00 O ATOM 0 H ASP A 41 4.095 -21.284 -2.092 1.00 0.00 H new ATOM 0 HA ASP A 41 1.620 -22.508 -1.363 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.122 -23.425 -1.567 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.209 -22.956 0.119 1.00 0.00 H new ATOM 672 N ILE A 42 3.191 -20.742 0.976 1.00 0.00 N ATOM 673 CA ILE A 42 2.988 -20.036 2.244 1.00 0.00 C ATOM 674 C ILE A 42 2.044 -18.846 2.088 1.00 0.00 C ATOM 675 O ILE A 42 1.028 -18.760 2.779 1.00 0.00 O ATOM 676 CB ILE A 42 4.319 -19.532 2.848 1.00 0.00 C ATOM 677 CG1 ILE A 42 5.332 -20.676 2.958 1.00 0.00 C ATOM 678 CG2 ILE A 42 4.078 -18.901 4.216 1.00 0.00 C ATOM 679 CD1 ILE A 42 6.757 -20.243 2.694 1.00 0.00 C ATOM 0 H ILE A 42 4.142 -20.688 0.612 1.00 0.00 H new ATOM 0 HA ILE A 42 2.542 -20.766 2.919 1.00 0.00 H new ATOM 0 HB ILE A 42 4.731 -18.773 2.183 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.271 -21.111 3.956 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.061 -21.460 2.251 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.025 -18.551 4.627 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.394 -18.059 4.113 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.642 -19.642 4.887 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.422 -21.102 2.788 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.832 -19.835 1.686 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.045 -19.480 3.417 1.00 0.00 H new ATOM 691 N ILE A 43 2.391 -17.924 1.190 1.00 0.00 N ATOM 692 CA ILE A 43 1.575 -16.735 0.962 1.00 0.00 C ATOM 693 C ILE A 43 0.205 -17.110 0.392 1.00 0.00 C ATOM 694 O ILE A 43 -0.803 -17.036 1.097 1.00 0.00 O ATOM 695 CB ILE A 43 2.281 -15.729 0.018 1.00 0.00 C ATOM 696 CG1 ILE A 43 3.663 -15.352 0.568 1.00 0.00 C ATOM 697 CG2 ILE A 43 1.429 -14.481 -0.175 1.00 0.00 C ATOM 698 CD1 ILE A 43 3.628 -14.751 1.959 1.00 0.00 C ATOM 0 H ILE A 43 3.229 -17.979 0.611 1.00 0.00 H new ATOM 0 HA ILE A 43 1.435 -16.254 1.930 1.00 0.00 H new ATOM 0 HB ILE A 43 2.413 -16.209 -0.952 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.292 -16.242 0.583 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.132 -14.641 -0.112 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.944 -13.788 -0.841 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.470 -14.759 -0.612 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.263 -14.001 0.789 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.643 -14.511 2.277 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.027 -13.842 1.947 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.189 -15.467 2.654 1.00 0.00 H new ATOM 710 N LYS A 44 0.177 -17.509 -0.885 1.00 0.00 N ATOM 711 CA LYS A 44 -1.062 -17.901 -1.570 1.00 0.00 C ATOM 712 C LYS A 44 -1.925 -16.691 -1.960 1.00 0.00 C ATOM 713 O LYS A 44 -2.721 -16.779 -2.897 1.00 0.00 O ATOM 714 CB LYS A 44 -1.875 -18.869 -0.707 1.00 0.00 C ATOM 715 CG LYS A 44 -2.667 -19.890 -1.515 1.00 0.00 C ATOM 716 CD LYS A 44 -1.802 -21.071 -1.935 1.00 0.00 C ATOM 717 CE LYS A 44 -2.495 -22.401 -1.667 1.00 0.00 C ATOM 718 NZ LYS A 44 -3.176 -22.941 -2.881 1.00 0.00 N ATOM 0 H LYS A 44 1.009 -17.569 -1.472 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.766 -18.402 -2.492 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.200 -19.396 -0.033 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.564 -18.297 -0.085 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.509 -20.248 -0.923 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.082 -19.410 -2.401 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.567 -20.991 -2.996 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.855 -21.039 -1.396 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.762 -23.125 -1.312 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.227 -22.272 -0.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.633 -23.846 -2.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.895 -22.264 -3.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.475 -23.090 -3.635 1.00 0.00 H new ATOM 732 N HIS A 45 -1.771 -15.570 -1.248 1.00 0.00 N ATOM 733 CA HIS A 45 -2.542 -14.361 -1.534 1.00 0.00 C ATOM 734 C HIS A 45 -1.616 -13.174 -1.831 1.00 0.00 C ATOM 735 O HIS A 45 -1.522 -12.232 -1.040 1.00 0.00 O ATOM 736 CB HIS A 45 -3.465 -14.034 -0.354 1.00 0.00 C ATOM 737 CG HIS A 45 -4.923 -14.123 -0.685 1.00 0.00 C ATOM 738 ND1 HIS A 45 -5.656 -13.054 -1.155 1.00 0.00 N ATOM 739 CD2 HIS A 45 -5.789 -15.163 -0.604 1.00 0.00 C ATOM 740 CE1 HIS A 45 -6.908 -13.430 -1.346 1.00 0.00 C ATOM 741 NE2 HIS A 45 -7.014 -14.705 -1.021 1.00 0.00 N ATOM 0 H HIS A 45 -1.119 -15.477 -0.470 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.149 -14.545 -2.420 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.246 -14.717 0.467 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.243 -13.028 0.001 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.558 -16.165 -0.273 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.709 -12.801 -1.707 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -7.868 -15.260 -1.072 1.00 0.00 H new ATOM 750 N PRO A 46 -0.916 -13.206 -2.983 1.00 0.00 N ATOM 751 CA PRO A 46 0.004 -12.134 -3.385 1.00 0.00 C ATOM 752 C PRO A 46 -0.730 -10.875 -3.849 1.00 0.00 C ATOM 753 O PRO A 46 -1.678 -10.953 -4.633 1.00 0.00 O ATOM 754 CB PRO A 46 0.784 -12.760 -4.542 1.00 0.00 C ATOM 755 CG PRO A 46 -0.154 -13.757 -5.130 1.00 0.00 C ATOM 756 CD PRO A 46 -0.967 -14.292 -3.982 1.00 0.00 C ATOM 0 HA PRO A 46 0.631 -11.802 -2.558 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.076 -12.009 -5.276 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.700 -13.236 -4.191 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -0.796 -13.294 -5.880 1.00 0.00 H new ATOM 0 HG3 PRO A 46 0.391 -14.558 -5.628 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.991 -14.511 -4.284 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.546 -15.218 -3.590 1.00 0.00 H new ATOM 764 N MET A 47 -0.286 -9.716 -3.358 1.00 0.00 N ATOM 765 CA MET A 47 -0.899 -8.439 -3.719 1.00 0.00 C ATOM 766 C MET A 47 0.164 -7.362 -3.936 1.00 0.00 C ATOM 767 O MET A 47 0.862 -6.971 -3.000 1.00 0.00 O ATOM 768 CB MET A 47 -1.878 -7.991 -2.629 1.00 0.00 C ATOM 769 CG MET A 47 -3.183 -8.771 -2.622 1.00 0.00 C ATOM 770 SD MET A 47 -4.462 -7.992 -3.629 1.00 0.00 S ATOM 771 CE MET A 47 -3.907 -8.424 -5.276 1.00 0.00 C ATOM 0 H MET A 47 0.497 -9.637 -2.709 1.00 0.00 H new ATOM 0 HA MET A 47 -1.443 -8.580 -4.653 1.00 0.00 H new ATOM 0 HB2 MET A 47 -1.397 -8.095 -1.656 1.00 0.00 H new ATOM 0 HB3 MET A 47 -2.099 -6.932 -2.764 1.00 0.00 H new ATOM 0 HG2 MET A 47 -3.001 -9.781 -2.990 1.00 0.00 H new ATOM 0 HG3 MET A 47 -3.540 -8.865 -1.597 1.00 0.00 H new ATOM 0 HE1 MET A 47 -4.757 -8.424 -5.958 1.00 0.00 H new ATOM 0 HE2 MET A 47 -3.170 -7.696 -5.614 1.00 0.00 H new ATOM 0 HE3 MET A 47 -3.456 -9.416 -5.259 1.00 0.00 H new ATOM 781 N ASP A 48 0.282 -6.890 -5.177 1.00 0.00 N ATOM 782 CA ASP A 48 1.261 -5.857 -5.521 1.00 0.00 C ATOM 783 C ASP A 48 0.576 -4.525 -5.834 1.00 0.00 C ATOM 784 O ASP A 48 -0.607 -4.489 -6.176 1.00 0.00 O ATOM 785 CB ASP A 48 2.114 -6.304 -6.714 1.00 0.00 C ATOM 786 CG ASP A 48 1.281 -6.645 -7.936 1.00 0.00 C ATOM 787 OD1 ASP A 48 0.729 -7.764 -7.987 1.00 0.00 O ATOM 788 OD2 ASP A 48 1.177 -5.791 -8.839 1.00 0.00 O ATOM 0 H ASP A 48 -0.288 -7.206 -5.962 1.00 0.00 H new ATOM 0 HA ASP A 48 1.908 -5.711 -4.656 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.818 -5.512 -6.969 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.704 -7.175 -6.427 1.00 0.00 H new ATOM 793 N LEU A 49 1.333 -3.433 -5.712 1.00 0.00 N ATOM 794 CA LEU A 49 0.810 -2.089 -5.976 1.00 0.00 C ATOM 795 C LEU A 49 0.344 -1.931 -7.427 1.00 0.00 C ATOM 796 O LEU A 49 -0.606 -1.195 -7.697 1.00 0.00 O ATOM 797 CB LEU A 49 1.868 -1.030 -5.655 1.00 0.00 C ATOM 798 CG LEU A 49 2.375 -1.032 -4.209 1.00 0.00 C ATOM 799 CD1 LEU A 49 3.725 -0.336 -4.112 1.00 0.00 C ATOM 800 CD2 LEU A 49 1.360 -0.368 -3.288 1.00 0.00 C ATOM 0 H LEU A 49 2.313 -3.452 -5.431 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.055 -1.947 -5.328 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.718 -1.175 -6.321 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.454 -0.047 -5.877 1.00 0.00 H new ATOM 0 HG LEU A 49 2.503 -2.067 -3.891 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.067 -0.348 -3.077 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.449 -0.856 -4.740 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.627 0.696 -4.450 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.736 -0.378 -2.265 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.200 0.662 -3.606 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.417 -0.912 -3.333 1.00 0.00 H new ATOM 812 N SER A 50 1.012 -2.620 -8.358 1.00 0.00 N ATOM 813 CA SER A 50 0.649 -2.543 -9.775 1.00 0.00 C ATOM 814 C SER A 50 -0.794 -2.992 -9.998 1.00 0.00 C ATOM 815 O SER A 50 -1.525 -2.388 -10.785 1.00 0.00 O ATOM 816 CB SER A 50 1.597 -3.391 -10.628 1.00 0.00 C ATOM 817 OG SER A 50 2.128 -2.634 -11.702 1.00 0.00 O ATOM 0 H SER A 50 1.802 -3.233 -8.157 1.00 0.00 H new ATOM 0 HA SER A 50 0.739 -1.501 -10.081 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.410 -3.769 -10.008 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.064 -4.258 -11.018 1.00 0.00 H new ATOM 0 HG SER A 50 2.732 -3.196 -12.231 1.00 0.00 H new ATOM 823 N THR A 51 -1.203 -4.049 -9.295 1.00 0.00 N ATOM 824 CA THR A 51 -2.563 -4.568 -9.413 1.00 0.00 C ATOM 825 C THR A 51 -3.555 -3.650 -8.695 1.00 0.00 C ATOM 826 O THR A 51 -4.676 -3.449 -9.164 1.00 0.00 O ATOM 827 CB THR A 51 -2.648 -5.993 -8.850 1.00 0.00 C ATOM 828 OG1 THR A 51 -1.683 -6.830 -9.462 1.00 0.00 O ATOM 829 CG2 THR A 51 -4.002 -6.640 -9.052 1.00 0.00 C ATOM 0 H THR A 51 -0.612 -4.560 -8.640 1.00 0.00 H new ATOM 0 HA THR A 51 -2.826 -4.599 -10.470 1.00 0.00 H new ATOM 0 HB THR A 51 -2.467 -5.890 -7.780 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.055 -7.156 -8.784 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.991 -7.645 -8.630 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.767 -6.045 -8.553 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.223 -6.696 -10.118 1.00 0.00 H new ATOM 837 N VAL A 52 -3.130 -3.086 -7.563 1.00 0.00 N ATOM 838 CA VAL A 52 -3.977 -2.181 -6.789 1.00 0.00 C ATOM 839 C VAL A 52 -4.308 -0.920 -7.593 1.00 0.00 C ATOM 840 O VAL A 52 -5.442 -0.438 -7.564 1.00 0.00 O ATOM 841 CB VAL A 52 -3.310 -1.773 -5.455 1.00 0.00 C ATOM 842 CG1 VAL A 52 -4.271 -0.954 -4.603 1.00 0.00 C ATOM 843 CG2 VAL A 52 -2.826 -3.001 -4.689 1.00 0.00 C ATOM 0 H VAL A 52 -2.204 -3.241 -7.163 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.897 -2.722 -6.567 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.442 -1.155 -5.686 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.783 -0.677 -3.669 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.559 -0.052 -5.144 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.160 -1.546 -4.386 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.361 -2.687 -3.755 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.673 -3.652 -4.472 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.098 -3.543 -5.293 1.00 0.00 H new ATOM 853 N LYS A 53 -3.313 -0.394 -8.316 1.00 0.00 N ATOM 854 CA LYS A 53 -3.503 0.807 -9.132 1.00 0.00 C ATOM 855 C LYS A 53 -4.599 0.592 -10.178 1.00 0.00 C ATOM 856 O LYS A 53 -5.439 1.465 -10.392 1.00 0.00 O ATOM 857 CB LYS A 53 -2.191 1.207 -9.821 1.00 0.00 C ATOM 858 CG LYS A 53 -2.090 2.696 -10.128 1.00 0.00 C ATOM 859 CD LYS A 53 -0.667 3.209 -9.954 1.00 0.00 C ATOM 860 CE LYS A 53 -0.517 4.636 -10.468 1.00 0.00 C ATOM 861 NZ LYS A 53 0.074 4.681 -11.837 1.00 0.00 N ATOM 0 H LYS A 53 -2.370 -0.781 -8.352 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.812 1.615 -8.468 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.354 0.919 -9.185 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.093 0.646 -10.750 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.422 2.881 -11.150 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.760 3.250 -9.470 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.392 3.171 -8.900 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.024 2.555 -10.487 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.493 5.121 -10.479 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.113 5.203 -9.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.158 5.670 -12.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.017 4.242 -11.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.540 4.162 -12.497 1.00 0.00 H new ATOM 875 N ARG A 54 -4.590 -0.577 -10.822 1.00 0.00 N ATOM 876 CA ARG A 54 -5.592 -0.901 -11.838 1.00 0.00 C ATOM 877 C ARG A 54 -6.987 -1.009 -11.217 1.00 0.00 C ATOM 878 O ARG A 54 -7.978 -0.619 -11.835 1.00 0.00 O ATOM 879 CB ARG A 54 -5.232 -2.212 -12.551 1.00 0.00 C ATOM 880 CG ARG A 54 -6.152 -2.551 -13.717 1.00 0.00 C ATOM 881 CD ARG A 54 -5.788 -3.889 -14.347 1.00 0.00 C ATOM 882 NE ARG A 54 -6.753 -4.302 -15.369 1.00 0.00 N ATOM 883 CZ ARG A 54 -6.763 -5.510 -15.943 1.00 0.00 C ATOM 884 NH1 ARG A 54 -5.860 -6.428 -15.605 1.00 0.00 N ATOM 885 NH2 ARG A 54 -7.679 -5.801 -16.861 1.00 0.00 N ATOM 0 H ARG A 54 -3.902 -1.312 -10.658 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.601 -0.092 -12.569 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.207 -2.146 -12.916 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.261 -3.028 -11.828 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -7.185 -2.581 -13.370 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.091 -1.765 -14.470 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.796 -3.820 -14.794 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.736 -4.652 -13.570 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.460 -3.627 -15.661 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.152 -6.213 -14.903 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -5.876 -7.346 -16.048 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.374 -5.103 -17.127 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.687 -6.722 -17.299 1.00 0.00 H new ATOM 899 N LYS A 55 -7.056 -1.540 -9.993 1.00 0.00 N ATOM 900 CA LYS A 55 -8.332 -1.698 -9.295 1.00 0.00 C ATOM 901 C LYS A 55 -8.966 -0.341 -8.987 1.00 0.00 C ATOM 902 O LYS A 55 -10.159 -0.145 -9.217 1.00 0.00 O ATOM 903 CB LYS A 55 -8.141 -2.488 -7.998 1.00 0.00 C ATOM 904 CG LYS A 55 -7.750 -3.941 -8.215 1.00 0.00 C ATOM 905 CD LYS A 55 -7.093 -4.525 -6.973 1.00 0.00 C ATOM 906 CE LYS A 55 -7.254 -6.038 -6.903 1.00 0.00 C ATOM 907 NZ LYS A 55 -8.677 -6.464 -7.051 1.00 0.00 N ATOM 0 H LYS A 55 -6.245 -1.866 -9.467 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.003 -2.250 -9.953 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.373 -2.001 -7.397 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.066 -2.453 -7.423 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.635 -4.524 -8.470 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.066 -4.014 -9.060 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.033 -4.272 -6.970 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.531 -4.072 -6.084 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.655 -6.501 -7.687 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.866 -6.399 -5.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.881 -7.233 -6.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.303 -5.658 -6.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.840 -6.799 -8.022 1.00 0.00 H new ATOM 921 N MET A 56 -8.167 0.597 -8.473 1.00 0.00 N ATOM 922 CA MET A 56 -8.670 1.935 -8.147 1.00 0.00 C ATOM 923 C MET A 56 -9.014 2.714 -9.418 1.00 0.00 C ATOM 924 O MET A 56 -9.944 3.520 -9.427 1.00 0.00 O ATOM 925 CB MET A 56 -7.653 2.717 -7.308 1.00 0.00 C ATOM 926 CG MET A 56 -6.315 2.949 -7.996 1.00 0.00 C ATOM 927 SD MET A 56 -5.574 4.537 -7.565 1.00 0.00 S ATOM 928 CE MET A 56 -5.523 4.426 -5.777 1.00 0.00 C ATOM 0 H MET A 56 -7.176 0.457 -8.274 1.00 0.00 H new ATOM 0 HA MET A 56 -9.579 1.811 -7.559 1.00 0.00 H new ATOM 0 HB2 MET A 56 -8.084 3.683 -7.044 1.00 0.00 H new ATOM 0 HB3 MET A 56 -7.480 2.180 -6.376 1.00 0.00 H new ATOM 0 HG2 MET A 56 -5.628 2.147 -7.725 1.00 0.00 H new ATOM 0 HG3 MET A 56 -6.453 2.899 -9.076 1.00 0.00 H new ATOM 0 HE1 MET A 56 -5.008 5.298 -5.373 1.00 0.00 H new ATOM 0 HE2 MET A 56 -6.540 4.391 -5.385 1.00 0.00 H new ATOM 0 HE3 MET A 56 -4.990 3.522 -5.484 1.00 0.00 H new ATOM 938 N GLU A 57 -8.260 2.457 -10.488 1.00 0.00 N ATOM 939 CA GLU A 57 -8.483 3.121 -11.773 1.00 0.00 C ATOM 940 C GLU A 57 -9.760 2.614 -12.446 1.00 0.00 C ATOM 941 O GLU A 57 -10.408 3.345 -13.195 1.00 0.00 O ATOM 942 CB GLU A 57 -7.289 2.900 -12.704 1.00 0.00 C ATOM 943 CG GLU A 57 -6.102 3.798 -12.392 1.00 0.00 C ATOM 944 CD GLU A 57 -6.098 5.074 -13.214 1.00 0.00 C ATOM 945 OE1 GLU A 57 -6.141 4.981 -14.459 1.00 0.00 O ATOM 946 OE2 GLU A 57 -6.048 6.167 -12.611 1.00 0.00 O ATOM 0 H GLU A 57 -7.487 1.791 -10.490 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.595 4.187 -11.578 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.974 1.859 -12.637 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.604 3.072 -13.733 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.114 4.054 -11.332 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.179 3.249 -12.577 1.00 0.00 H new ATOM 953 N ASN A 58 -10.117 1.359 -12.169 1.00 0.00 N ATOM 954 CA ASN A 58 -11.312 0.752 -12.739 1.00 0.00 C ATOM 955 C ASN A 58 -12.472 0.774 -11.740 1.00 0.00 C ATOM 956 O ASN A 58 -13.567 0.299 -12.048 1.00 0.00 O ATOM 957 CB ASN A 58 -11.015 -0.691 -13.161 1.00 0.00 C ATOM 958 CG ASN A 58 -11.057 -0.876 -14.667 1.00 0.00 C ATOM 959 OD1 ASN A 58 -12.036 -1.383 -15.213 1.00 0.00 O ATOM 960 ND2 ASN A 58 -9.993 -0.463 -15.348 1.00 0.00 N ATOM 0 H ASN A 58 -9.590 0.744 -11.550 1.00 0.00 H new ATOM 0 HA ASN A 58 -11.604 1.333 -13.614 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -10.032 -0.980 -12.790 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.740 -1.359 -12.696 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -9.967 -0.561 -16.363 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -9.202 -0.048 -14.856 1.00 0.00 H new ATOM 967 N ARG A 59 -12.228 1.321 -10.541 1.00 0.00 N ATOM 968 CA ARG A 59 -13.246 1.393 -9.505 1.00 0.00 C ATOM 969 C ARG A 59 -13.661 -0.009 -9.055 1.00 0.00 C ATOM 970 O ARG A 59 -14.830 -0.261 -8.754 1.00 0.00 O ATOM 971 CB ARG A 59 -14.453 2.185 -10.007 1.00 0.00 C ATOM 972 CG ARG A 59 -15.364 2.673 -8.893 1.00 0.00 C ATOM 973 CD ARG A 59 -16.788 2.163 -9.063 1.00 0.00 C ATOM 974 NE ARG A 59 -17.564 2.994 -9.983 1.00 0.00 N ATOM 975 CZ ARG A 59 -18.124 4.161 -9.648 1.00 0.00 C ATOM 976 NH1 ARG A 59 -17.991 4.648 -8.415 1.00 0.00 N ATOM 977 NH2 ARG A 59 -18.819 4.846 -10.550 1.00 0.00 N ATOM 0 H ARG A 59 -11.328 1.719 -10.272 1.00 0.00 H new ATOM 0 HA ARG A 59 -12.829 1.911 -8.641 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -14.102 3.043 -10.580 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -15.029 1.560 -10.689 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -14.972 2.342 -7.931 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -15.368 3.763 -8.878 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -16.764 1.138 -9.434 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -17.282 2.139 -8.092 1.00 0.00 H new ATOM 0 HE ARG A 59 -17.686 2.663 -10.940 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -17.458 4.130 -7.717 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -18.422 5.539 -8.169 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -18.925 4.481 -11.497 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -19.247 5.736 -10.296 1.00 0.00 H new ATOM 991 N ASP A 60 -12.682 -0.914 -8.997 1.00 0.00 N ATOM 992 CA ASP A 60 -12.918 -2.291 -8.570 1.00 0.00 C ATOM 993 C ASP A 60 -13.480 -2.324 -7.150 1.00 0.00 C ATOM 994 O ASP A 60 -14.308 -3.174 -6.819 1.00 0.00 O ATOM 995 CB ASP A 60 -11.612 -3.090 -8.639 1.00 0.00 C ATOM 996 CG ASP A 60 -11.797 -4.555 -8.296 1.00 0.00 C ATOM 997 OD1 ASP A 60 -12.193 -5.330 -9.191 1.00 0.00 O ATOM 998 OD2 ASP A 60 -11.538 -4.927 -7.132 1.00 0.00 O ATOM 0 H ASP A 60 -11.712 -0.714 -9.243 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.649 -2.743 -9.240 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.194 -3.007 -9.642 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.887 -2.651 -7.954 1.00 0.00 H new ATOM 1003 N TYR A 61 -13.030 -1.381 -6.322 1.00 0.00 N ATOM 1004 CA TYR A 61 -13.487 -1.282 -4.942 1.00 0.00 C ATOM 1005 C TYR A 61 -13.875 0.156 -4.614 1.00 0.00 C ATOM 1006 O TYR A 61 -13.047 1.066 -4.700 1.00 0.00 O ATOM 1007 CB TYR A 61 -12.397 -1.766 -3.976 1.00 0.00 C ATOM 1008 CG TYR A 61 -11.085 -1.016 -4.102 1.00 0.00 C ATOM 1009 CD1 TYR A 61 -10.177 -1.335 -5.104 1.00 0.00 C ATOM 1010 CD2 TYR A 61 -10.758 0.010 -3.222 1.00 0.00 C ATOM 1011 CE1 TYR A 61 -8.981 -0.655 -5.226 1.00 0.00 C ATOM 1012 CE2 TYR A 61 -9.563 0.694 -3.338 1.00 0.00 C ATOM 1013 CZ TYR A 61 -8.678 0.357 -4.342 1.00 0.00 C ATOM 1014 OH TYR A 61 -7.486 1.033 -4.462 1.00 0.00 O ATOM 0 H TYR A 61 -12.346 -0.673 -6.588 1.00 0.00 H new ATOM 0 HA TYR A 61 -14.363 -1.919 -4.825 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -12.763 -1.669 -2.954 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -12.216 -2.827 -4.151 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -10.410 -2.128 -5.799 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -11.449 0.276 -2.436 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.286 -0.916 -6.011 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -9.323 1.488 -2.647 1.00 0.00 H new ATOM 0 HH TYR A 61 -7.061 1.105 -3.582 1.00 0.00 H new ATOM 1024 N ARG A 62 -15.133 0.359 -4.234 1.00 0.00 N ATOM 1025 CA ARG A 62 -15.615 1.692 -3.887 1.00 0.00 C ATOM 1026 C ARG A 62 -15.684 1.862 -2.370 1.00 0.00 C ATOM 1027 O ARG A 62 -16.502 2.628 -1.855 1.00 0.00 O ATOM 1028 CB ARG A 62 -16.986 1.947 -4.518 1.00 0.00 C ATOM 1029 CG ARG A 62 -18.081 1.033 -3.993 1.00 0.00 C ATOM 1030 CD ARG A 62 -19.228 1.830 -3.392 1.00 0.00 C ATOM 1031 NE ARG A 62 -20.493 1.101 -3.449 1.00 0.00 N ATOM 1032 CZ ARG A 62 -20.820 0.108 -2.616 1.00 0.00 C ATOM 1033 NH1 ARG A 62 -19.979 -0.277 -1.658 1.00 0.00 N ATOM 1034 NH2 ARG A 62 -21.994 -0.501 -2.742 1.00 0.00 N ATOM 0 H ARG A 62 -15.834 -0.378 -4.159 1.00 0.00 H new ATOM 0 HA ARG A 62 -14.911 2.425 -4.282 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -17.272 2.983 -4.337 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -16.908 1.822 -5.598 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -18.456 0.408 -4.804 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -17.667 0.363 -3.239 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -18.996 2.072 -2.355 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -19.330 2.775 -3.925 1.00 0.00 H new ATOM 0 HE ARG A 62 -21.167 1.366 -4.167 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -19.076 0.187 -1.555 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -20.237 -1.036 -1.027 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -22.643 -0.211 -3.473 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -22.246 -1.259 -2.108 1.00 0.00 H new ATOM 1048 N ASP A 63 -14.822 1.135 -1.659 1.00 0.00 N ATOM 1049 CA ASP A 63 -14.784 1.195 -0.204 1.00 0.00 C ATOM 1050 C ASP A 63 -13.377 1.512 0.293 1.00 0.00 C ATOM 1051 O ASP A 63 -12.397 0.934 -0.182 1.00 0.00 O ATOM 1052 CB ASP A 63 -15.261 -0.131 0.393 1.00 0.00 C ATOM 1053 CG ASP A 63 -16.585 -0.587 -0.195 1.00 0.00 C ATOM 1054 OD1 ASP A 63 -16.577 -1.168 -1.302 1.00 0.00 O ATOM 1055 OD2 ASP A 63 -17.630 -0.359 0.449 1.00 0.00 O ATOM 0 H ASP A 63 -14.141 0.497 -2.071 1.00 0.00 H new ATOM 0 HA ASP A 63 -15.451 1.994 0.119 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -14.506 -0.897 0.219 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -15.364 -0.024 1.473 1.00 0.00 H new ATOM 1060 N ALA A 64 -13.288 2.430 1.257 1.00 0.00 N ATOM 1061 CA ALA A 64 -12.002 2.824 1.828 1.00 0.00 C ATOM 1062 C ALA A 64 -11.359 1.660 2.577 1.00 0.00 C ATOM 1063 O ALA A 64 -10.137 1.499 2.559 1.00 0.00 O ATOM 1064 CB ALA A 64 -12.167 4.025 2.753 1.00 0.00 C ATOM 0 H ALA A 64 -14.092 2.914 1.658 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.343 3.108 1.007 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.197 4.301 3.167 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.574 4.865 2.190 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.848 3.768 3.564 1.00 0.00 H new ATOM 1070 N GLN A 65 -12.191 0.844 3.228 1.00 0.00 N ATOM 1071 CA GLN A 65 -11.704 -0.314 3.976 1.00 0.00 C ATOM 1072 C GLN A 65 -11.000 -1.301 3.046 1.00 0.00 C ATOM 1073 O GLN A 65 -9.989 -1.896 3.417 1.00 0.00 O ATOM 1074 CB GLN A 65 -12.859 -1.011 4.703 1.00 0.00 C ATOM 1075 CG GLN A 65 -13.591 -0.113 5.691 1.00 0.00 C ATOM 1076 CD GLN A 65 -15.055 0.070 5.339 1.00 0.00 C ATOM 1077 OE1 GLN A 65 -15.892 -0.775 5.657 1.00 0.00 O ATOM 1078 NE2 GLN A 65 -15.373 1.179 4.678 1.00 0.00 N ATOM 0 H GLN A 65 -13.204 0.965 3.252 1.00 0.00 H new ATOM 0 HA GLN A 65 -10.986 0.040 4.716 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -13.571 -1.380 3.965 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -12.471 -1.880 5.234 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -13.512 -0.539 6.691 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -13.104 0.862 5.721 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -14.647 1.853 4.434 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -16.342 1.356 4.415 1.00 0.00 H new ATOM 1087 N GLU A 66 -11.536 -1.463 1.834 1.00 0.00 N ATOM 1088 CA GLU A 66 -10.952 -2.373 0.849 1.00 0.00 C ATOM 1089 C GLU A 66 -9.501 -1.998 0.545 1.00 0.00 C ATOM 1090 O GLU A 66 -8.639 -2.870 0.437 1.00 0.00 O ATOM 1091 CB GLU A 66 -11.776 -2.356 -0.442 1.00 0.00 C ATOM 1092 CG GLU A 66 -12.499 -3.663 -0.720 1.00 0.00 C ATOM 1093 CD GLU A 66 -11.654 -4.634 -1.521 1.00 0.00 C ATOM 1094 OE1 GLU A 66 -10.785 -5.299 -0.920 1.00 0.00 O ATOM 1095 OE2 GLU A 66 -11.860 -4.727 -2.749 1.00 0.00 O ATOM 0 H GLU A 66 -12.373 -0.976 1.512 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.965 -3.378 1.270 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.508 -1.551 -0.385 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.117 -2.129 -1.280 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.782 -4.126 0.225 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.422 -3.456 -1.262 1.00 0.00 H new ATOM 1102 N PHE A 67 -9.235 -0.695 0.413 1.00 0.00 N ATOM 1103 CA PHE A 67 -7.884 -0.214 0.128 1.00 0.00 C ATOM 1104 C PHE A 67 -6.929 -0.574 1.264 1.00 0.00 C ATOM 1105 O PHE A 67 -5.919 -1.245 1.045 1.00 0.00 O ATOM 1106 CB PHE A 67 -7.883 1.303 -0.091 1.00 0.00 C ATOM 1107 CG PHE A 67 -6.621 1.819 -0.732 1.00 0.00 C ATOM 1108 CD1 PHE A 67 -5.411 1.779 -0.054 1.00 0.00 C ATOM 1109 CD2 PHE A 67 -6.646 2.340 -2.015 1.00 0.00 C ATOM 1110 CE1 PHE A 67 -4.253 2.249 -0.645 1.00 0.00 C ATOM 1111 CE2 PHE A 67 -5.491 2.813 -2.610 1.00 0.00 C ATOM 1112 CZ PHE A 67 -4.293 2.766 -1.925 1.00 0.00 C ATOM 0 H PHE A 67 -9.936 0.041 0.499 1.00 0.00 H new ATOM 0 HA PHE A 67 -7.542 -0.702 -0.785 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -8.734 1.572 -0.716 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -8.023 1.800 0.869 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -5.373 1.376 0.947 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -7.579 2.377 -2.557 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.318 2.212 -0.106 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -5.526 3.219 -3.610 1.00 0.00 H new ATOM 0 HZ PHE A 67 -3.389 3.133 -2.389 1.00 0.00 H new ATOM 1122 N ALA A 68 -7.259 -0.124 2.478 1.00 0.00 N ATOM 1123 CA ALA A 68 -6.432 -0.399 3.653 1.00 0.00 C ATOM 1124 C ALA A 68 -6.266 -1.900 3.867 1.00 0.00 C ATOM 1125 O ALA A 68 -5.193 -2.361 4.259 1.00 0.00 O ATOM 1126 CB ALA A 68 -7.029 0.249 4.894 1.00 0.00 C ATOM 0 H ALA A 68 -8.092 0.432 2.671 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.446 0.031 3.476 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.399 0.032 5.757 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.087 1.328 4.749 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.029 -0.148 5.067 1.00 0.00 H new ATOM 1132 N ALA A 69 -7.331 -2.659 3.601 1.00 0.00 N ATOM 1133 CA ALA A 69 -7.297 -4.110 3.758 1.00 0.00 C ATOM 1134 C ALA A 69 -6.289 -4.741 2.799 1.00 0.00 C ATOM 1135 O ALA A 69 -5.539 -5.637 3.182 1.00 0.00 O ATOM 1136 CB ALA A 69 -8.683 -4.705 3.538 1.00 0.00 C ATOM 0 H ALA A 69 -8.225 -2.291 3.276 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.981 -4.331 4.778 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.638 -5.787 3.659 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.378 -4.287 4.266 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.026 -4.467 2.531 1.00 0.00 H new ATOM 1142 N ASP A 70 -6.278 -4.264 1.551 1.00 0.00 N ATOM 1143 CA ASP A 70 -5.361 -4.783 0.535 1.00 0.00 C ATOM 1144 C ASP A 70 -3.909 -4.448 0.875 1.00 0.00 C ATOM 1145 O ASP A 70 -3.016 -5.279 0.698 1.00 0.00 O ATOM 1146 CB ASP A 70 -5.715 -4.214 -0.845 1.00 0.00 C ATOM 1147 CG ASP A 70 -6.760 -5.042 -1.573 1.00 0.00 C ATOM 1148 OD1 ASP A 70 -7.673 -5.573 -0.905 1.00 0.00 O ATOM 1149 OD2 ASP A 70 -6.667 -5.157 -2.814 1.00 0.00 O ATOM 0 H ASP A 70 -6.893 -3.520 1.221 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.467 -5.868 0.515 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.082 -3.194 -0.729 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.812 -4.160 -1.453 1.00 0.00 H new ATOM 1154 N VAL A 71 -3.677 -3.231 1.366 1.00 0.00 N ATOM 1155 CA VAL A 71 -2.330 -2.797 1.729 1.00 0.00 C ATOM 1156 C VAL A 71 -1.847 -3.510 2.993 1.00 0.00 C ATOM 1157 O VAL A 71 -0.718 -4.000 3.045 1.00 0.00 O ATOM 1158 CB VAL A 71 -2.259 -1.270 1.946 1.00 0.00 C ATOM 1159 CG1 VAL A 71 -0.818 -0.828 2.155 1.00 0.00 C ATOM 1160 CG2 VAL A 71 -2.887 -0.528 0.773 1.00 0.00 C ATOM 0 H VAL A 71 -4.402 -2.531 1.521 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.679 -3.059 0.895 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.826 -1.024 2.844 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.787 0.251 2.306 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.407 -1.329 3.031 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.227 -1.089 1.277 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.826 0.546 0.947 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -2.353 -0.778 -0.144 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.932 -0.821 0.675 1.00 0.00 H new ATOM 1170 N ARG A 72 -2.712 -3.567 4.007 1.00 0.00 N ATOM 1171 CA ARG A 72 -2.378 -4.224 5.271 1.00 0.00 C ATOM 1172 C ARG A 72 -2.155 -5.726 5.071 1.00 0.00 C ATOM 1173 O ARG A 72 -1.311 -6.327 5.737 1.00 0.00 O ATOM 1174 CB ARG A 72 -3.489 -3.990 6.301 1.00 0.00 C ATOM 1175 CG ARG A 72 -3.004 -4.016 7.744 1.00 0.00 C ATOM 1176 CD ARG A 72 -4.166 -3.950 8.726 1.00 0.00 C ATOM 1177 NE ARG A 72 -3.874 -3.085 9.872 1.00 0.00 N ATOM 1178 CZ ARG A 72 -4.550 -3.115 11.025 1.00 0.00 C ATOM 1179 NH1 ARG A 72 -5.564 -3.961 11.195 1.00 0.00 N ATOM 1180 NH2 ARG A 72 -4.213 -2.293 12.013 1.00 0.00 N ATOM 0 H ARG A 72 -3.649 -3.166 3.977 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.450 -3.788 5.642 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -3.959 -3.027 6.103 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.258 -4.752 6.172 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -2.430 -4.926 7.919 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -2.331 -3.176 7.918 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.054 -3.581 8.212 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -4.397 -4.954 9.081 1.00 0.00 H new ATOM 0 HE ARG A 72 -3.107 -2.418 9.785 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.832 -4.594 10.442 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.073 -3.976 12.079 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.439 -1.640 11.891 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.728 -2.315 12.893 1.00 0.00 H new ATOM 1194 N LEU A 73 -2.913 -6.325 4.147 1.00 0.00 N ATOM 1195 CA LEU A 73 -2.794 -7.754 3.858 1.00 0.00 C ATOM 1196 C LEU A 73 -1.387 -8.096 3.371 1.00 0.00 C ATOM 1197 O LEU A 73 -0.791 -9.078 3.817 1.00 0.00 O ATOM 1198 CB LEU A 73 -3.832 -8.175 2.810 1.00 0.00 C ATOM 1199 CG LEU A 73 -3.886 -9.677 2.510 1.00 0.00 C ATOM 1200 CD1 LEU A 73 -4.886 -10.372 3.425 1.00 0.00 C ATOM 1201 CD2 LEU A 73 -4.240 -9.919 1.049 1.00 0.00 C ATOM 0 H LEU A 73 -3.615 -5.841 3.587 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.981 -8.303 4.781 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.817 -7.853 3.148 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.624 -7.643 1.882 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.899 -10.099 2.699 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.909 -11.437 3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.588 -10.231 4.464 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.877 -9.946 3.271 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.273 -10.991 0.856 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.214 -9.481 0.833 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.486 -9.459 0.411 1.00 0.00 H new ATOM 1213 N MET A 74 -0.858 -7.274 2.461 1.00 0.00 N ATOM 1214 CA MET A 74 0.485 -7.485 1.921 1.00 0.00 C ATOM 1215 C MET A 74 1.536 -7.352 3.019 1.00 0.00 C ATOM 1216 O MET A 74 2.475 -8.146 3.088 1.00 0.00 O ATOM 1217 CB MET A 74 0.780 -6.489 0.797 1.00 0.00 C ATOM 1218 CG MET A 74 2.064 -6.789 0.037 1.00 0.00 C ATOM 1219 SD MET A 74 3.283 -5.467 0.175 1.00 0.00 S ATOM 1220 CE MET A 74 3.122 -4.689 -1.431 1.00 0.00 C ATOM 0 H MET A 74 -1.339 -6.458 2.084 1.00 0.00 H new ATOM 0 HA MET A 74 0.527 -8.496 1.515 1.00 0.00 H new ATOM 0 HB2 MET A 74 -0.055 -6.487 0.096 1.00 0.00 H new ATOM 0 HB3 MET A 74 0.844 -5.486 1.219 1.00 0.00 H new ATOM 0 HG2 MET A 74 2.496 -7.716 0.414 1.00 0.00 H new ATOM 0 HG3 MET A 74 1.829 -6.952 -1.015 1.00 0.00 H new ATOM 0 HE1 MET A 74 3.373 -3.631 -1.350 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.799 -5.170 -2.138 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.096 -4.792 -1.784 1.00 0.00 H new ATOM 1230 N PHE A 75 1.368 -6.345 3.879 1.00 0.00 N ATOM 1231 CA PHE A 75 2.298 -6.112 4.981 1.00 0.00 C ATOM 1232 C PHE A 75 2.380 -7.336 5.891 1.00 0.00 C ATOM 1233 O PHE A 75 3.456 -7.683 6.380 1.00 0.00 O ATOM 1234 CB PHE A 75 1.878 -4.880 5.787 1.00 0.00 C ATOM 1235 CG PHE A 75 2.289 -3.581 5.151 1.00 0.00 C ATOM 1236 CD1 PHE A 75 3.603 -3.372 4.761 1.00 0.00 C ATOM 1237 CD2 PHE A 75 1.364 -2.570 4.942 1.00 0.00 C ATOM 1238 CE1 PHE A 75 3.985 -2.181 4.175 1.00 0.00 C ATOM 1239 CE2 PHE A 75 1.742 -1.377 4.357 1.00 0.00 C ATOM 1240 CZ PHE A 75 3.054 -1.182 3.973 1.00 0.00 C ATOM 0 H PHE A 75 0.596 -5.679 3.832 1.00 0.00 H new ATOM 0 HA PHE A 75 3.286 -5.932 4.557 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.795 -4.888 5.911 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.314 -4.942 6.784 1.00 0.00 H new ATOM 0 HD1 PHE A 75 4.336 -4.149 4.917 1.00 0.00 H new ATOM 0 HD2 PHE A 75 0.336 -2.717 5.240 1.00 0.00 H new ATOM 0 HE1 PHE A 75 5.012 -2.031 3.875 1.00 0.00 H new ATOM 0 HE2 PHE A 75 1.012 -0.597 4.200 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.351 -0.250 3.516 1.00 0.00 H new ATOM 1250 N SER A 76 1.238 -7.996 6.104 1.00 0.00 N ATOM 1251 CA SER A 76 1.188 -9.192 6.944 1.00 0.00 C ATOM 1252 C SER A 76 1.858 -10.377 6.248 1.00 0.00 C ATOM 1253 O SER A 76 2.489 -11.210 6.901 1.00 0.00 O ATOM 1254 CB SER A 76 -0.259 -9.550 7.297 1.00 0.00 C ATOM 1255 OG SER A 76 -0.647 -8.961 8.525 1.00 0.00 O ATOM 0 H SER A 76 0.339 -7.722 5.707 1.00 0.00 H new ATOM 0 HA SER A 76 1.731 -8.972 7.863 1.00 0.00 H new ATOM 0 HB2 SER A 76 -0.924 -9.212 6.502 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.363 -10.633 7.361 1.00 0.00 H new ATOM 0 HG SER A 76 -1.575 -9.204 8.726 1.00 0.00 H new ATOM 1261 N ASN A 77 1.718 -10.447 4.921 1.00 0.00 N ATOM 1262 CA ASN A 77 2.311 -11.534 4.139 1.00 0.00 C ATOM 1263 C ASN A 77 3.829 -11.551 4.292 1.00 0.00 C ATOM 1264 O ASN A 77 4.424 -12.605 4.514 1.00 0.00 O ATOM 1265 CB ASN A 77 1.947 -11.398 2.656 1.00 0.00 C ATOM 1266 CG ASN A 77 0.452 -11.484 2.406 1.00 0.00 C ATOM 1267 OD1 ASN A 77 -0.287 -12.084 3.187 1.00 0.00 O ATOM 1268 ND2 ASN A 77 -0.003 -10.885 1.310 1.00 0.00 N ATOM 0 H ASN A 77 1.200 -9.765 4.367 1.00 0.00 H new ATOM 0 HA ASN A 77 1.908 -12.472 4.520 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.319 -10.444 2.281 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.451 -12.181 2.090 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -0.999 -10.912 1.090 1.00 0.00 H new ATOM 0 HD22 ASN A 77 0.643 -10.398 0.689 1.00 0.00 H new ATOM 1275 N CYS A 78 4.450 -10.376 4.175 1.00 0.00 N ATOM 1276 CA CYS A 78 5.902 -10.259 4.303 1.00 0.00 C ATOM 1277 C CYS A 78 6.364 -10.669 5.700 1.00 0.00 C ATOM 1278 O CYS A 78 7.358 -11.382 5.847 1.00 0.00 O ATOM 1279 CB CYS A 78 6.356 -8.828 4.002 1.00 0.00 C ATOM 1280 SG CYS A 78 7.932 -8.726 3.120 1.00 0.00 S ATOM 0 H CYS A 78 3.971 -9.494 3.992 1.00 0.00 H new ATOM 0 HA CYS A 78 6.356 -10.934 3.577 1.00 0.00 H new ATOM 0 HB2 CYS A 78 5.587 -8.331 3.410 1.00 0.00 H new ATOM 0 HB3 CYS A 78 6.440 -8.280 4.940 1.00 0.00 H new ATOM 0 HG CYS A 78 8.231 -7.479 2.909 1.00 0.00 H new ATOM 1286 N TYR A 79 5.637 -10.216 6.723 1.00 0.00 N ATOM 1287 CA TYR A 79 5.974 -10.538 8.109 1.00 0.00 C ATOM 1288 C TYR A 79 5.919 -12.046 8.349 1.00 0.00 C ATOM 1289 O TYR A 79 6.855 -12.628 8.901 1.00 0.00 O ATOM 1290 CB TYR A 79 5.021 -9.819 9.070 1.00 0.00 C ATOM 1291 CG TYR A 79 5.626 -8.597 9.729 1.00 0.00 C ATOM 1292 CD1 TYR A 79 6.425 -8.719 10.860 1.00 0.00 C ATOM 1293 CD2 TYR A 79 5.395 -7.324 9.223 1.00 0.00 C ATOM 1294 CE1 TYR A 79 6.974 -7.606 11.468 1.00 0.00 C ATOM 1295 CE2 TYR A 79 5.943 -6.207 9.825 1.00 0.00 C ATOM 1296 CZ TYR A 79 6.731 -6.353 10.947 1.00 0.00 C ATOM 1297 OH TYR A 79 7.275 -5.243 11.550 1.00 0.00 O ATOM 0 H TYR A 79 4.812 -9.626 6.617 1.00 0.00 H new ATOM 0 HA TYR A 79 6.992 -10.197 8.297 1.00 0.00 H new ATOM 0 HB2 TYR A 79 4.126 -9.520 8.524 1.00 0.00 H new ATOM 0 HB3 TYR A 79 4.704 -10.518 9.844 1.00 0.00 H new ATOM 0 HD1 TYR A 79 6.620 -9.699 11.270 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.777 -7.205 8.345 1.00 0.00 H new ATOM 0 HE1 TYR A 79 7.591 -7.717 12.348 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.755 -5.224 9.418 1.00 0.00 H new ATOM 0 HH TYR A 79 8.123 -5.485 11.977 1.00 0.00 H new ATOM 1307 N LYS A 80 4.819 -12.674 7.930 1.00 0.00 N ATOM 1308 CA LYS A 80 4.643 -14.117 8.097 1.00 0.00 C ATOM 1309 C LYS A 80 5.667 -14.900 7.269 1.00 0.00 C ATOM 1310 O LYS A 80 6.106 -15.977 7.674 1.00 0.00 O ATOM 1311 CB LYS A 80 3.221 -14.534 7.702 1.00 0.00 C ATOM 1312 CG LYS A 80 2.629 -15.615 8.596 1.00 0.00 C ATOM 1313 CD LYS A 80 1.141 -15.807 8.337 1.00 0.00 C ATOM 1314 CE LYS A 80 0.876 -17.025 7.466 1.00 0.00 C ATOM 1315 NZ LYS A 80 -0.567 -17.160 7.118 1.00 0.00 N ATOM 0 H LYS A 80 4.037 -12.206 7.473 1.00 0.00 H new ATOM 0 HA LYS A 80 4.803 -14.351 9.149 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.574 -13.657 7.730 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.230 -14.891 6.672 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.153 -16.556 8.425 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.785 -15.349 9.641 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.617 -15.917 9.287 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.738 -14.918 7.852 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.464 -16.951 6.551 1.00 0.00 H new ATOM 0 HE3 LYS A 80 1.209 -17.923 7.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.703 -18.003 6.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.127 -17.256 7.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.879 -16.315 6.598 1.00 0.00 H new ATOM 1329 N TYR A 81 6.039 -14.354 6.110 1.00 0.00 N ATOM 1330 CA TYR A 81 7.008 -15.000 5.226 1.00 0.00 C ATOM 1331 C TYR A 81 8.385 -15.092 5.888 1.00 0.00 C ATOM 1332 O TYR A 81 8.886 -16.189 6.135 1.00 0.00 O ATOM 1333 CB TYR A 81 7.106 -14.237 3.901 1.00 0.00 C ATOM 1334 CG TYR A 81 7.983 -14.909 2.862 1.00 0.00 C ATOM 1335 CD1 TYR A 81 7.784 -16.239 2.508 1.00 0.00 C ATOM 1336 CD2 TYR A 81 9.006 -14.209 2.234 1.00 0.00 C ATOM 1337 CE1 TYR A 81 8.582 -16.851 1.560 1.00 0.00 C ATOM 1338 CE2 TYR A 81 9.806 -14.814 1.285 1.00 0.00 C ATOM 1339 CZ TYR A 81 9.590 -16.135 0.951 1.00 0.00 C ATOM 1340 OH TYR A 81 10.385 -16.739 0.004 1.00 0.00 O ATOM 0 H TYR A 81 5.682 -13.464 5.762 1.00 0.00 H new ATOM 0 HA TYR A 81 6.661 -16.014 5.027 1.00 0.00 H new ATOM 0 HB2 TYR A 81 6.104 -14.114 3.490 1.00 0.00 H new ATOM 0 HB3 TYR A 81 7.495 -13.238 4.098 1.00 0.00 H new ATOM 0 HD1 TYR A 81 6.993 -16.802 2.981 1.00 0.00 H new ATOM 0 HD2 TYR A 81 9.178 -13.175 2.492 1.00 0.00 H new ATOM 0 HE1 TYR A 81 8.417 -17.885 1.298 1.00 0.00 H new ATOM 0 HE2 TYR A 81 10.597 -14.256 0.806 1.00 0.00 H new ATOM 0 HH TYR A 81 11.046 -16.095 -0.327 1.00 0.00 H new ATOM 1350 N ASN A 82 8.989 -13.935 6.175 1.00 0.00 N ATOM 1351 CA ASN A 82 10.306 -13.892 6.812 1.00 0.00 C ATOM 1352 C ASN A 82 10.297 -12.965 8.029 1.00 0.00 C ATOM 1353 O ASN A 82 9.632 -11.927 8.021 1.00 0.00 O ATOM 1354 CB ASN A 82 11.377 -13.432 5.812 1.00 0.00 C ATOM 1355 CG ASN A 82 12.171 -14.592 5.236 1.00 0.00 C ATOM 1356 OD1 ASN A 82 11.704 -15.730 5.213 1.00 0.00 O ATOM 1357 ND2 ASN A 82 13.382 -14.308 4.764 1.00 0.00 N ATOM 0 H ASN A 82 8.587 -13.019 5.976 1.00 0.00 H new ATOM 0 HA ASN A 82 10.546 -14.901 7.147 1.00 0.00 H new ATOM 0 HB2 ASN A 82 10.900 -12.884 5.000 1.00 0.00 H new ATOM 0 HB3 ASN A 82 12.058 -12.740 6.307 1.00 0.00 H new ATOM 0 HD21 ASN A 82 13.960 -15.047 4.364 1.00 0.00 H new ATOM 0 HD22 ASN A 82 13.733 -13.351 4.802 1.00 0.00 H new ATOM 1364 N PRO A 83 11.041 -13.329 9.097 1.00 0.00 N ATOM 1365 CA PRO A 83 11.117 -12.523 10.325 1.00 0.00 C ATOM 1366 C PRO A 83 11.824 -11.186 10.098 1.00 0.00 C ATOM 1367 O PRO A 83 12.610 -11.043 9.159 1.00 0.00 O ATOM 1368 CB PRO A 83 11.922 -13.404 11.286 1.00 0.00 C ATOM 1369 CG PRO A 83 12.719 -14.301 10.403 1.00 0.00 C ATOM 1370 CD PRO A 83 11.867 -14.549 9.189 1.00 0.00 C ATOM 0 HA PRO A 83 10.128 -12.260 10.701 1.00 0.00 H new ATOM 0 HB2 PRO A 83 12.568 -12.803 11.926 1.00 0.00 H new ATOM 0 HB3 PRO A 83 11.266 -13.976 11.942 1.00 0.00 H new ATOM 0 HG2 PRO A 83 13.666 -13.837 10.127 1.00 0.00 H new ATOM 0 HG3 PRO A 83 12.958 -15.236 10.910 1.00 0.00 H new ATOM 0 HD2 PRO A 83 12.473 -14.692 8.295 1.00 0.00 H new ATOM 0 HD3 PRO A 83 11.253 -15.442 9.304 1.00 0.00 H new ATOM 1378 N PRO A 84 11.551 -10.183 10.957 1.00 0.00 N ATOM 1379 CA PRO A 84 12.158 -8.856 10.842 1.00 0.00 C ATOM 1380 C PRO A 84 13.637 -8.856 11.210 1.00 0.00 C ATOM 1381 O PRO A 84 14.002 -8.935 12.384 1.00 0.00 O ATOM 1382 CB PRO A 84 11.370 -7.990 11.828 1.00 0.00 C ATOM 1383 CG PRO A 84 10.217 -8.827 12.283 1.00 0.00 C ATOM 1384 CD PRO A 84 10.630 -10.258 12.098 1.00 0.00 C ATOM 0 HA PRO A 84 12.114 -8.493 9.815 1.00 0.00 H new ATOM 0 HB2 PRO A 84 11.994 -7.694 12.671 1.00 0.00 H new ATOM 0 HB3 PRO A 84 11.022 -7.074 11.351 1.00 0.00 H new ATOM 0 HG2 PRO A 84 9.978 -8.624 13.327 1.00 0.00 H new ATOM 0 HG3 PRO A 84 9.322 -8.603 11.702 1.00 0.00 H new ATOM 0 HD2 PRO A 84 11.118 -10.657 12.987 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.776 -10.902 11.888 1.00 0.00 H new ATOM 1392 N ASP A 85 14.477 -8.758 10.189 1.00 0.00 N ATOM 1393 CA ASP A 85 15.929 -8.737 10.367 1.00 0.00 C ATOM 1394 C ASP A 85 16.627 -8.558 9.017 1.00 0.00 C ATOM 1395 O ASP A 85 17.599 -9.251 8.709 1.00 0.00 O ATOM 1396 CB ASP A 85 16.409 -10.030 11.045 1.00 0.00 C ATOM 1397 CG ASP A 85 17.459 -9.773 12.109 1.00 0.00 C ATOM 1398 OD1 ASP A 85 18.507 -9.178 11.781 1.00 0.00 O ATOM 1399 OD2 ASP A 85 17.234 -10.168 13.273 1.00 0.00 O ATOM 0 H ASP A 85 14.177 -8.691 9.217 1.00 0.00 H new ATOM 0 HA ASP A 85 16.185 -7.894 11.009 1.00 0.00 H new ATOM 0 HB2 ASP A 85 15.556 -10.538 11.496 1.00 0.00 H new ATOM 0 HB3 ASP A 85 16.818 -10.702 10.290 1.00 0.00 H new ATOM 1404 N HIS A 86 16.111 -7.631 8.208 1.00 0.00 N ATOM 1405 CA HIS A 86 16.666 -7.372 6.884 1.00 0.00 C ATOM 1406 C HIS A 86 15.996 -6.155 6.237 1.00 0.00 C ATOM 1407 O HIS A 86 14.882 -5.779 6.609 1.00 0.00 O ATOM 1408 CB HIS A 86 16.489 -8.619 6.008 1.00 0.00 C ATOM 1409 CG HIS A 86 17.032 -8.489 4.619 1.00 0.00 C ATOM 1410 ND1 HIS A 86 18.321 -8.082 4.339 1.00 0.00 N ATOM 1411 CD2 HIS A 86 16.448 -8.727 3.424 1.00 0.00 C ATOM 1412 CE1 HIS A 86 18.504 -8.076 3.030 1.00 0.00 C ATOM 1413 NE2 HIS A 86 17.382 -8.463 2.453 1.00 0.00 N ATOM 0 H HIS A 86 15.309 -7.048 8.449 1.00 0.00 H new ATOM 0 HA HIS A 86 17.728 -7.149 6.981 1.00 0.00 H new ATOM 0 HB2 HIS A 86 16.977 -9.462 6.497 1.00 0.00 H new ATOM 0 HB3 HIS A 86 15.427 -8.856 5.948 1.00 0.00 H new ATOM 0 HD2 HIS A 86 15.434 -9.063 3.263 1.00 0.00 H new ATOM 0 HE1 HIS A 86 19.416 -7.801 2.520 1.00 0.00 H new ATOM 0 HE2 HIS A 86 17.233 -8.552 1.448 1.00 0.00 H new ATOM 1422 N ASP A 87 16.688 -5.545 5.272 1.00 0.00 N ATOM 1423 CA ASP A 87 16.174 -4.368 4.569 1.00 0.00 C ATOM 1424 C ASP A 87 14.774 -4.613 4.008 1.00 0.00 C ATOM 1425 O ASP A 87 13.914 -3.736 4.073 1.00 0.00 O ATOM 1426 CB ASP A 87 17.124 -3.966 3.437 1.00 0.00 C ATOM 1427 CG ASP A 87 16.881 -2.550 2.948 1.00 0.00 C ATOM 1428 OD1 ASP A 87 17.015 -1.610 3.760 1.00 0.00 O ATOM 1429 OD2 ASP A 87 16.555 -2.383 1.754 1.00 0.00 O ATOM 0 H ASP A 87 17.610 -5.849 4.959 1.00 0.00 H new ATOM 0 HA ASP A 87 16.110 -3.556 5.293 1.00 0.00 H new ATOM 0 HB2 ASP A 87 18.154 -4.056 3.783 1.00 0.00 H new ATOM 0 HB3 ASP A 87 17.006 -4.660 2.604 1.00 0.00 H new ATOM 1434 N VAL A 88 14.555 -5.806 3.455 1.00 0.00 N ATOM 1435 CA VAL A 88 13.259 -6.165 2.880 1.00 0.00 C ATOM 1436 C VAL A 88 12.126 -5.978 3.892 1.00 0.00 C ATOM 1437 O VAL A 88 11.143 -5.289 3.611 1.00 0.00 O ATOM 1438 CB VAL A 88 13.252 -7.626 2.376 1.00 0.00 C ATOM 1439 CG1 VAL A 88 11.863 -8.030 1.898 1.00 0.00 C ATOM 1440 CG2 VAL A 88 14.276 -7.818 1.266 1.00 0.00 C ATOM 0 H VAL A 88 15.260 -6.541 3.393 1.00 0.00 H new ATOM 0 HA VAL A 88 13.095 -5.495 2.036 1.00 0.00 H new ATOM 0 HB VAL A 88 13.525 -8.271 3.211 1.00 0.00 H new ATOM 0 HG11 VAL A 88 11.884 -9.062 1.548 1.00 0.00 H new ATOM 0 HG12 VAL A 88 11.155 -7.940 2.721 1.00 0.00 H new ATOM 0 HG13 VAL A 88 11.555 -7.377 1.082 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.254 -8.853 0.926 1.00 0.00 H new ATOM 0 HG22 VAL A 88 14.037 -7.157 0.433 1.00 0.00 H new ATOM 0 HG23 VAL A 88 15.271 -7.581 1.644 1.00 0.00 H new ATOM 1450 N VAL A 89 12.267 -6.593 5.066 1.00 0.00 N ATOM 1451 CA VAL A 89 11.250 -6.490 6.111 1.00 0.00 C ATOM 1452 C VAL A 89 11.110 -5.048 6.598 1.00 0.00 C ATOM 1453 O VAL A 89 9.997 -4.535 6.729 1.00 0.00 O ATOM 1454 CB VAL A 89 11.567 -7.403 7.314 1.00 0.00 C ATOM 1455 CG1 VAL A 89 10.397 -7.423 8.290 1.00 0.00 C ATOM 1456 CG2 VAL A 89 11.910 -8.812 6.848 1.00 0.00 C ATOM 0 H VAL A 89 13.073 -7.166 5.316 1.00 0.00 H new ATOM 0 HA VAL A 89 10.310 -6.817 5.666 1.00 0.00 H new ATOM 0 HB VAL A 89 12.437 -7.000 7.832 1.00 0.00 H new ATOM 0 HG11 VAL A 89 10.637 -8.072 9.133 1.00 0.00 H new ATOM 0 HG12 VAL A 89 10.208 -6.412 8.652 1.00 0.00 H new ATOM 0 HG13 VAL A 89 9.508 -7.799 7.784 1.00 0.00 H new ATOM 0 HG21 VAL A 89 12.130 -9.438 7.713 1.00 0.00 H new ATOM 0 HG22 VAL A 89 11.064 -9.231 6.303 1.00 0.00 H new ATOM 0 HG23 VAL A 89 12.782 -8.777 6.195 1.00 0.00 H new ATOM 1466 N ALA A 90 12.246 -4.397 6.856 1.00 0.00 N ATOM 1467 CA ALA A 90 12.252 -3.010 7.318 1.00 0.00 C ATOM 1468 C ALA A 90 11.621 -2.077 6.284 1.00 0.00 C ATOM 1469 O ALA A 90 11.045 -1.047 6.638 1.00 0.00 O ATOM 1470 CB ALA A 90 13.672 -2.561 7.635 1.00 0.00 C ATOM 0 H ALA A 90 13.173 -4.809 6.752 1.00 0.00 H new ATOM 0 HA ALA A 90 11.654 -2.959 8.228 1.00 0.00 H new ATOM 0 HB1 ALA A 90 13.659 -1.526 7.978 1.00 0.00 H new ATOM 0 HB2 ALA A 90 14.089 -3.197 8.416 1.00 0.00 H new ATOM 0 HB3 ALA A 90 14.287 -2.638 6.738 1.00 0.00 H new ATOM 1476 N MET A 91 11.732 -2.447 5.005 1.00 0.00 N ATOM 1477 CA MET A 91 11.171 -1.649 3.915 1.00 0.00 C ATOM 1478 C MET A 91 9.656 -1.505 4.073 1.00 0.00 C ATOM 1479 O MET A 91 9.103 -0.423 3.872 1.00 0.00 O ATOM 1480 CB MET A 91 11.493 -2.296 2.562 1.00 0.00 C ATOM 1481 CG MET A 91 12.076 -1.335 1.538 1.00 0.00 C ATOM 1482 SD MET A 91 13.127 -2.169 0.332 1.00 0.00 S ATOM 1483 CE MET A 91 13.529 -0.816 -0.772 1.00 0.00 C ATOM 0 H MET A 91 12.207 -3.297 4.700 1.00 0.00 H new ATOM 0 HA MET A 91 11.622 -0.657 3.953 1.00 0.00 H new ATOM 0 HB2 MET A 91 12.197 -3.113 2.720 1.00 0.00 H new ATOM 0 HB3 MET A 91 10.582 -2.735 2.155 1.00 0.00 H new ATOM 0 HG2 MET A 91 11.264 -0.826 1.018 1.00 0.00 H new ATOM 0 HG3 MET A 91 12.655 -0.568 2.052 1.00 0.00 H new ATOM 0 HE1 MET A 91 13.529 -1.174 -1.801 1.00 0.00 H new ATOM 0 HE2 MET A 91 12.787 -0.025 -0.663 1.00 0.00 H new ATOM 0 HE3 MET A 91 14.516 -0.425 -0.524 1.00 0.00 H new ATOM 1493 N ALA A 92 8.994 -2.605 4.439 1.00 0.00 N ATOM 1494 CA ALA A 92 7.546 -2.607 4.631 1.00 0.00 C ATOM 1495 C ALA A 92 7.163 -1.834 5.891 1.00 0.00 C ATOM 1496 O ALA A 92 6.244 -1.013 5.868 1.00 0.00 O ATOM 1497 CB ALA A 92 7.020 -4.035 4.699 1.00 0.00 C ATOM 0 H ALA A 92 9.441 -3.506 4.608 1.00 0.00 H new ATOM 0 HA ALA A 92 7.088 -2.109 3.776 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.940 -4.018 4.842 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.255 -4.554 3.770 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.489 -4.556 5.534 1.00 0.00 H new ATOM 1503 N ARG A 93 7.877 -2.096 6.989 1.00 0.00 N ATOM 1504 CA ARG A 93 7.614 -1.417 8.259 1.00 0.00 C ATOM 1505 C ARG A 93 7.706 0.101 8.099 1.00 0.00 C ATOM 1506 O ARG A 93 6.923 0.842 8.695 1.00 0.00 O ATOM 1507 CB ARG A 93 8.598 -1.891 9.334 1.00 0.00 C ATOM 1508 CG ARG A 93 8.095 -1.691 10.756 1.00 0.00 C ATOM 1509 CD ARG A 93 9.096 -0.919 11.600 1.00 0.00 C ATOM 1510 NE ARG A 93 10.352 -1.652 11.777 1.00 0.00 N ATOM 1511 CZ ARG A 93 11.499 -1.083 12.158 1.00 0.00 C ATOM 1512 NH1 ARG A 93 11.552 0.220 12.419 1.00 0.00 N ATOM 1513 NH2 ARG A 93 12.598 -1.820 12.284 1.00 0.00 N ATOM 0 H ARG A 93 8.640 -2.772 7.023 1.00 0.00 H new ATOM 0 HA ARG A 93 6.600 -1.669 8.570 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.810 -2.949 9.179 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.540 -1.356 9.213 1.00 0.00 H new ATOM 0 HG2 ARG A 93 7.146 -1.155 10.735 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.903 -2.661 11.215 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.301 0.042 11.129 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.660 -0.708 12.576 1.00 0.00 H new ATOM 0 HE ARG A 93 10.351 -2.656 11.599 1.00 0.00 H new ATOM 0 HH11 ARG A 93 10.713 0.793 12.329 1.00 0.00 H new ATOM 0 HH12 ARG A 93 12.432 0.647 12.709 1.00 0.00 H new ATOM 0 HH21 ARG A 93 12.566 -2.821 12.090 1.00 0.00 H new ATOM 0 HH22 ARG A 93 13.473 -1.385 12.575 1.00 0.00 H new ATOM 1527 N LYS A 94 8.661 0.557 7.284 1.00 0.00 N ATOM 1528 CA LYS A 94 8.848 1.986 7.040 1.00 0.00 C ATOM 1529 C LYS A 94 7.611 2.597 6.377 1.00 0.00 C ATOM 1530 O LYS A 94 7.193 3.700 6.730 1.00 0.00 O ATOM 1531 CB LYS A 94 10.083 2.221 6.163 1.00 0.00 C ATOM 1532 CG LYS A 94 11.383 2.334 6.949 1.00 0.00 C ATOM 1533 CD LYS A 94 12.324 3.359 6.331 1.00 0.00 C ATOM 1534 CE LYS A 94 12.988 4.228 7.391 1.00 0.00 C ATOM 1535 NZ LYS A 94 14.323 3.700 7.800 1.00 0.00 N ATOM 0 H LYS A 94 9.315 -0.044 6.783 1.00 0.00 H new ATOM 0 HA LYS A 94 8.998 2.474 8.003 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.171 1.402 5.449 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.938 3.134 5.585 1.00 0.00 H new ATOM 0 HG2 LYS A 94 11.163 2.616 7.979 1.00 0.00 H new ATOM 0 HG3 LYS A 94 11.874 1.362 6.982 1.00 0.00 H new ATOM 0 HD2 LYS A 94 13.090 2.845 5.750 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.769 3.991 5.638 1.00 0.00 H new ATOM 0 HE2 LYS A 94 13.103 5.242 7.007 1.00 0.00 H new ATOM 0 HE3 LYS A 94 12.340 4.289 8.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 14.736 4.324 8.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 14.213 2.743 8.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 14.951 3.665 6.972 1.00 0.00 H new ATOM 1549 N LEU A 95 7.027 1.873 5.418 1.00 0.00 N ATOM 1550 CA LEU A 95 5.835 2.350 4.715 1.00 0.00 C ATOM 1551 C LEU A 95 4.587 2.228 5.592 1.00 0.00 C ATOM 1552 O LEU A 95 3.644 3.007 5.446 1.00 0.00 O ATOM 1553 CB LEU A 95 5.632 1.579 3.405 1.00 0.00 C ATOM 1554 CG LEU A 95 6.572 1.971 2.259 1.00 0.00 C ATOM 1555 CD1 LEU A 95 6.326 1.091 1.041 1.00 0.00 C ATOM 1556 CD2 LEU A 95 6.397 3.441 1.900 1.00 0.00 C ATOM 0 H LEU A 95 7.359 0.958 5.112 1.00 0.00 H new ATOM 0 HA LEU A 95 5.990 3.404 4.484 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.756 0.515 3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 95 4.603 1.723 3.074 1.00 0.00 H new ATOM 0 HG LEU A 95 7.599 1.819 2.592 1.00 0.00 H new ATOM 0 HD11 LEU A 95 7.002 1.384 0.238 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.505 0.048 1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.295 1.210 0.708 1.00 0.00 H new ATOM 0 HD21 LEU A 95 7.073 3.699 1.085 1.00 0.00 H new ATOM 0 HD22 LEU A 95 5.368 3.619 1.589 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.625 4.058 2.770 1.00 0.00 H new ATOM 1568 N GLN A 96 4.581 1.255 6.506 1.00 0.00 N ATOM 1569 CA GLN A 96 3.441 1.059 7.399 1.00 0.00 C ATOM 1570 C GLN A 96 3.329 2.207 8.402 1.00 0.00 C ATOM 1571 O GLN A 96 2.233 2.703 8.665 1.00 0.00 O ATOM 1572 CB GLN A 96 3.556 -0.274 8.148 1.00 0.00 C ATOM 1573 CG GLN A 96 2.725 -1.388 7.534 1.00 0.00 C ATOM 1574 CD GLN A 96 2.055 -2.270 8.573 1.00 0.00 C ATOM 1575 OE1 GLN A 96 0.841 -2.209 8.764 1.00 0.00 O ATOM 1576 NE2 GLN A 96 2.842 -3.101 9.248 1.00 0.00 N ATOM 0 H GLN A 96 5.347 0.596 6.645 1.00 0.00 H new ATOM 0 HA GLN A 96 2.541 1.041 6.785 1.00 0.00 H new ATOM 0 HB2 GLN A 96 4.602 -0.581 8.169 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.246 -0.128 9.183 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.962 -0.952 6.889 1.00 0.00 H new ATOM 0 HG3 GLN A 96 3.364 -2.003 6.900 1.00 0.00 H new ATOM 0 HE21 GLN A 96 3.844 -3.121 9.059 1.00 0.00 H new ATOM 0 HE22 GLN A 96 2.444 -3.719 9.955 1.00 0.00 H new ATOM 1585 N ASP A 97 4.470 2.619 8.961 1.00 0.00 N ATOM 1586 CA ASP A 97 4.502 3.704 9.943 1.00 0.00 C ATOM 1587 C ASP A 97 4.006 5.020 9.343 1.00 0.00 C ATOM 1588 O ASP A 97 3.257 5.757 9.987 1.00 0.00 O ATOM 1589 CB ASP A 97 5.925 3.884 10.491 1.00 0.00 C ATOM 1590 CG ASP A 97 6.299 2.834 11.526 1.00 0.00 C ATOM 1591 OD1 ASP A 97 5.883 1.665 11.372 1.00 0.00 O ATOM 1592 OD2 ASP A 97 7.015 3.180 12.488 1.00 0.00 O ATOM 0 H ASP A 97 5.383 2.217 8.750 1.00 0.00 H new ATOM 0 HA ASP A 97 3.832 3.431 10.758 1.00 0.00 H new ATOM 0 HB2 ASP A 97 6.635 3.841 9.665 1.00 0.00 H new ATOM 0 HB3 ASP A 97 6.014 4.874 10.937 1.00 0.00 H new ATOM 1597 N VAL A 98 4.419 5.313 8.108 1.00 0.00 N ATOM 1598 CA VAL A 98 3.998 6.543 7.442 1.00 0.00 C ATOM 1599 C VAL A 98 2.514 6.494 7.072 1.00 0.00 C ATOM 1600 O VAL A 98 1.801 7.490 7.212 1.00 0.00 O ATOM 1601 CB VAL A 98 4.842 6.844 6.182 1.00 0.00 C ATOM 1602 CG1 VAL A 98 4.716 5.735 5.146 1.00 0.00 C ATOM 1603 CG2 VAL A 98 4.446 8.192 5.591 1.00 0.00 C ATOM 0 H VAL A 98 5.038 4.721 7.555 1.00 0.00 H new ATOM 0 HA VAL A 98 4.159 7.351 8.156 1.00 0.00 H new ATOM 0 HB VAL A 98 5.889 6.889 6.480 1.00 0.00 H new ATOM 0 HG11 VAL A 98 5.323 5.981 4.274 1.00 0.00 H new ATOM 0 HG12 VAL A 98 5.062 4.795 5.575 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.673 5.634 4.846 1.00 0.00 H new ATOM 0 HG21 VAL A 98 5.048 8.392 4.704 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.391 8.173 5.317 1.00 0.00 H new ATOM 0 HG23 VAL A 98 4.615 8.977 6.329 1.00 0.00 H new ATOM 1613 N PHE A 99 2.050 5.329 6.612 1.00 0.00 N ATOM 1614 CA PHE A 99 0.648 5.156 6.237 1.00 0.00 C ATOM 1615 C PHE A 99 -0.252 5.232 7.470 1.00 0.00 C ATOM 1616 O PHE A 99 -1.346 5.793 7.411 1.00 0.00 O ATOM 1617 CB PHE A 99 0.446 3.818 5.515 1.00 0.00 C ATOM 1618 CG PHE A 99 -0.907 3.673 4.871 1.00 0.00 C ATOM 1619 CD1 PHE A 99 -1.192 4.307 3.671 1.00 0.00 C ATOM 1620 CD2 PHE A 99 -1.893 2.902 5.466 1.00 0.00 C ATOM 1621 CE1 PHE A 99 -2.434 4.175 3.078 1.00 0.00 C ATOM 1622 CE2 PHE A 99 -3.137 2.766 4.878 1.00 0.00 C ATOM 1623 CZ PHE A 99 -3.407 3.403 3.683 1.00 0.00 C ATOM 0 H PHE A 99 2.625 4.495 6.491 1.00 0.00 H new ATOM 0 HA PHE A 99 0.374 5.963 5.558 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.215 3.709 4.751 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.587 3.006 6.228 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.435 4.911 3.194 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -1.687 2.401 6.400 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.643 4.674 2.144 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -3.896 2.162 5.353 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.378 3.298 3.222 1.00 0.00 H new ATOM 1633 N GLU A 100 0.219 4.672 8.587 1.00 0.00 N ATOM 1634 CA GLU A 100 -0.544 4.685 9.835 1.00 0.00 C ATOM 1635 C GLU A 100 -0.807 6.116 10.309 1.00 0.00 C ATOM 1636 O GLU A 100 -1.879 6.411 10.840 1.00 0.00 O ATOM 1637 CB GLU A 100 0.197 3.904 10.926 1.00 0.00 C ATOM 1638 CG GLU A 100 -0.730 3.180 11.889 1.00 0.00 C ATOM 1639 CD GLU A 100 -0.065 2.861 13.214 1.00 0.00 C ATOM 1640 OE1 GLU A 100 0.565 1.787 13.319 1.00 0.00 O ATOM 1641 OE2 GLU A 100 -0.173 3.685 14.146 1.00 0.00 O ATOM 0 H GLU A 100 1.124 4.205 8.652 1.00 0.00 H new ATOM 0 HA GLU A 100 -1.503 4.205 9.641 1.00 0.00 H new ATOM 0 HB2 GLU A 100 0.859 3.177 10.455 1.00 0.00 H new ATOM 0 HB3 GLU A 100 0.828 4.592 11.489 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.612 3.794 12.069 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.075 2.254 11.428 1.00 0.00 H new ATOM 1648 N PHE A 101 0.174 7.001 10.115 1.00 0.00 N ATOM 1649 CA PHE A 101 0.039 8.399 10.526 1.00 0.00 C ATOM 1650 C PHE A 101 -1.015 9.124 9.687 1.00 0.00 C ATOM 1651 O PHE A 101 -1.781 9.934 10.210 1.00 0.00 O ATOM 1652 CB PHE A 101 1.385 9.125 10.417 1.00 0.00 C ATOM 1653 CG PHE A 101 1.778 9.862 11.670 1.00 0.00 C ATOM 1654 CD1 PHE A 101 1.937 9.184 12.869 1.00 0.00 C ATOM 1655 CD2 PHE A 101 1.987 11.233 11.647 1.00 0.00 C ATOM 1656 CE1 PHE A 101 2.297 9.859 14.021 1.00 0.00 C ATOM 1657 CE2 PHE A 101 2.347 11.912 12.796 1.00 0.00 C ATOM 1658 CZ PHE A 101 2.502 11.225 13.984 1.00 0.00 C ATOM 0 H PHE A 101 1.067 6.775 9.677 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.286 8.408 11.566 1.00 0.00 H new ATOM 0 HB2 PHE A 101 2.161 8.399 10.175 1.00 0.00 H new ATOM 0 HB3 PHE A 101 1.340 9.832 9.589 1.00 0.00 H new ATOM 0 HD1 PHE A 101 1.778 8.116 12.904 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.867 11.776 10.721 1.00 0.00 H new ATOM 0 HE1 PHE A 101 2.418 9.319 14.949 1.00 0.00 H new ATOM 0 HE2 PHE A 101 2.507 12.980 12.765 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.783 11.754 14.882 1.00 0.00 H new ATOM 1668 N ARG A 102 -1.060 8.823 8.386 1.00 0.00 N ATOM 1669 CA ARG A 102 -2.035 9.447 7.490 1.00 0.00 C ATOM 1670 C ARG A 102 -3.406 8.793 7.642 1.00 0.00 C ATOM 1671 O ARG A 102 -4.436 9.465 7.562 1.00 0.00 O ATOM 1672 CB ARG A 102 -1.572 9.355 6.031 1.00 0.00 C ATOM 1673 CG ARG A 102 -0.821 10.586 5.547 1.00 0.00 C ATOM 1674 CD ARG A 102 0.650 10.526 5.928 1.00 0.00 C ATOM 1675 NE ARG A 102 1.472 11.400 5.090 1.00 0.00 N ATOM 1676 CZ ARG A 102 2.695 11.821 5.422 1.00 0.00 C ATOM 1677 NH1 ARG A 102 3.257 11.432 6.565 1.00 0.00 N ATOM 1678 NH2 ARG A 102 3.361 12.630 4.605 1.00 0.00 N ATOM 0 H ARG A 102 -0.436 8.155 7.933 1.00 0.00 H new ATOM 0 HA ARG A 102 -2.115 10.499 7.766 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -0.930 8.481 5.918 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -2.441 9.197 5.393 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -0.915 10.668 4.464 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -1.273 11.481 5.975 1.00 0.00 H new ATOM 0 HD2 ARG A 102 0.765 10.813 6.973 1.00 0.00 H new ATOM 0 HD3 ARG A 102 1.006 9.500 5.839 1.00 0.00 H new ATOM 0 HE ARG A 102 1.087 11.707 4.197 1.00 0.00 H new ATOM 0 HH11 ARG A 102 2.753 10.808 7.195 1.00 0.00 H new ATOM 0 HH12 ARG A 102 4.192 11.758 6.811 1.00 0.00 H new ATOM 0 HH21 ARG A 102 2.938 12.928 3.726 1.00 0.00 H new ATOM 0 HH22 ARG A 102 4.295 12.953 4.857 1.00 0.00 H new ATOM 1692 N TYR A 103 -3.413 7.478 7.868 1.00 0.00 N ATOM 1693 CA TYR A 103 -4.657 6.733 8.038 1.00 0.00 C ATOM 1694 C TYR A 103 -5.406 7.167 9.302 1.00 0.00 C ATOM 1695 O TYR A 103 -6.604 6.928 9.422 1.00 0.00 O ATOM 1696 CB TYR A 103 -4.382 5.229 8.092 1.00 0.00 C ATOM 1697 CG TYR A 103 -5.577 4.381 7.708 1.00 0.00 C ATOM 1698 CD1 TYR A 103 -6.175 4.514 6.461 1.00 0.00 C ATOM 1699 CD2 TYR A 103 -6.108 3.450 8.594 1.00 0.00 C ATOM 1700 CE1 TYR A 103 -7.267 3.745 6.107 1.00 0.00 C ATOM 1701 CE2 TYR A 103 -7.200 2.677 8.246 1.00 0.00 C ATOM 1702 CZ TYR A 103 -7.776 2.828 7.002 1.00 0.00 C ATOM 1703 OH TYR A 103 -8.863 2.057 6.653 1.00 0.00 O ATOM 0 H TYR A 103 -2.569 6.909 7.937 1.00 0.00 H new ATOM 0 HA TYR A 103 -5.286 6.953 7.176 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -3.552 4.996 7.425 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -4.066 4.962 9.100 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -5.780 5.231 5.756 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -5.660 3.329 9.569 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -7.720 3.862 5.134 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -7.600 1.958 8.945 1.00 0.00 H new ATOM 0 HH TYR A 103 -9.094 1.462 7.396 1.00 0.00 H new ATOM 1713 N ALA A 104 -4.702 7.810 10.238 1.00 0.00 N ATOM 1714 CA ALA A 104 -5.325 8.276 11.478 1.00 0.00 C ATOM 1715 C ALA A 104 -6.426 9.300 11.193 1.00 0.00 C ATOM 1716 O ALA A 104 -7.411 9.384 11.929 1.00 0.00 O ATOM 1717 CB ALA A 104 -4.276 8.874 12.407 1.00 0.00 C ATOM 0 H ALA A 104 -3.706 8.018 10.161 1.00 0.00 H new ATOM 0 HA ALA A 104 -5.782 7.416 11.968 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -4.755 9.216 13.324 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -3.529 8.117 12.648 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -3.792 9.717 11.914 1.00 0.00 H new ATOM 1723 N LYS A 105 -6.253 10.076 10.120 1.00 0.00 N ATOM 1724 CA LYS A 105 -7.230 11.091 9.735 1.00 0.00 C ATOM 1725 C LYS A 105 -8.205 10.568 8.666 1.00 0.00 C ATOM 1726 O LYS A 105 -9.147 11.266 8.288 1.00 0.00 O ATOM 1727 CB LYS A 105 -6.506 12.346 9.232 1.00 0.00 C ATOM 1728 CG LYS A 105 -7.440 13.495 8.888 1.00 0.00 C ATOM 1729 CD LYS A 105 -6.946 14.816 9.460 1.00 0.00 C ATOM 1730 CE LYS A 105 -7.466 15.044 10.872 1.00 0.00 C ATOM 1731 NZ LYS A 105 -6.647 16.044 11.614 1.00 0.00 N ATOM 0 H LYS A 105 -5.443 10.019 9.503 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.819 11.343 10.617 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.802 12.678 9.995 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.922 12.088 8.349 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -7.530 13.579 7.805 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -8.437 13.282 9.275 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -5.856 14.825 9.467 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.268 15.635 8.816 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -8.500 15.384 10.827 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.465 14.099 11.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -7.035 16.170 12.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -5.665 15.708 11.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -6.669 16.953 11.110 1.00 0.00 H new ATOM 1745 N MET A 106 -7.983 9.342 8.182 1.00 0.00 N ATOM 1746 CA MET A 106 -8.855 8.753 7.166 1.00 0.00 C ATOM 1747 C MET A 106 -10.284 8.563 7.690 1.00 0.00 C ATOM 1748 O MET A 106 -11.242 9.013 7.057 1.00 0.00 O ATOM 1749 CB MET A 106 -8.287 7.414 6.677 1.00 0.00 C ATOM 1750 CG MET A 106 -7.551 7.511 5.349 1.00 0.00 C ATOM 1751 SD MET A 106 -8.374 6.603 4.025 1.00 0.00 S ATOM 1752 CE MET A 106 -9.974 7.408 3.996 1.00 0.00 C ATOM 0 H MET A 106 -7.212 8.743 8.476 1.00 0.00 H new ATOM 0 HA MET A 106 -8.896 9.447 6.327 1.00 0.00 H new ATOM 0 HB2 MET A 106 -7.606 7.021 7.432 1.00 0.00 H new ATOM 0 HB3 MET A 106 -9.102 6.697 6.579 1.00 0.00 H new ATOM 0 HG2 MET A 106 -7.462 8.559 5.064 1.00 0.00 H new ATOM 0 HG3 MET A 106 -6.538 7.127 5.471 1.00 0.00 H new ATOM 0 HE1 MET A 106 -10.727 6.735 4.406 1.00 0.00 H new ATOM 0 HE2 MET A 106 -9.935 8.317 4.596 1.00 0.00 H new ATOM 0 HE3 MET A 106 -10.235 7.662 2.969 1.00 0.00 H new ATOM 1762 N PRO A 107 -10.453 7.888 8.852 1.00 0.00 N ATOM 1763 CA PRO A 107 -11.779 7.642 9.445 1.00 0.00 C ATOM 1764 C PRO A 107 -12.569 8.927 9.697 1.00 0.00 C ATOM 1765 O PRO A 107 -12.047 10.033 9.534 1.00 0.00 O ATOM 1766 CB PRO A 107 -11.457 6.956 10.777 1.00 0.00 C ATOM 1767 CG PRO A 107 -10.101 6.373 10.593 1.00 0.00 C ATOM 1768 CD PRO A 107 -9.373 7.307 9.671 1.00 0.00 C ATOM 0 HA PRO A 107 -12.406 7.051 8.778 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -11.471 7.669 11.601 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -12.190 6.184 11.010 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -9.582 6.283 11.547 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -10.161 5.372 10.167 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -8.830 8.074 10.223 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -8.643 6.779 9.058 1.00 0.00 H new ATOM 1776 N ASP A 108 -13.832 8.768 10.100 1.00 0.00 N ATOM 1777 CA ASP A 108 -14.703 9.908 10.383 1.00 0.00 C ATOM 1778 C ASP A 108 -15.127 9.933 11.853 1.00 0.00 C ATOM 1779 O ASP A 108 -14.905 8.971 12.591 1.00 0.00 O ATOM 1780 CB ASP A 108 -15.945 9.863 9.487 1.00 0.00 C ATOM 1781 CG ASP A 108 -16.399 11.244 9.055 1.00 0.00 C ATOM 1782 OD1 ASP A 108 -15.935 11.719 7.998 1.00 0.00 O ATOM 1783 OD2 ASP A 108 -17.222 11.850 9.776 1.00 0.00 O ATOM 0 H ASP A 108 -14.273 7.859 10.237 1.00 0.00 H new ATOM 0 HA ASP A 108 -14.139 10.817 10.174 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -15.730 9.262 8.604 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -16.756 9.368 10.020 1.00 0.00 H new TER 1788 ASP A 108