USER MOD reduce.3.24.130724 H: found=0, std=0, add=1028, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1031 hydrogens (14 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 NoAdj-H: B 287 ALY H2 : B 287 ALY N : B 286 ILE C :(H bumps) USER MOD Set 1.1: A 86 ASN : amide:sc= 1.22 K(o=-5.8,f=-12!) USER MOD Set 1.2: A 90 HIS : no HD1:sc= -7.05! C(o=-5.8!,f=-11!) USER MOD Set 2.1: A 69 GLN : amide:sc= -0.0829 K(o=-0.59,f=-1.4) USER MOD Set 2.2: A 107 TYR OH : rot -139:sc= 1.13 USER MOD Set 2.3: A 110 MET CE :methyl 155:sc= -1.64 (180deg=-2.74!) USER MOD Set 3.1: A 59 LYS NZ :NH3+ 151:sc= 1.19 (180deg=0.541!) USER MOD Set 3.2: A 65 TYR OH : rot 79:sc= 1.4 USER MOD Set 4.1: A 54 SER OG : rot -88:sc= 1.16 USER MOD Set 4.2: A 55 THR OG1 : rot 138:sc= 0.975 USER MOD Set 5.1: A 22 HIS : no HD1:sc= -2.13 X(o=-2.1,f=-1.7) USER MOD Set 5.2: A 25 TYR OH : rot -26:sc= 0.0271 USER MOD Set 6.1: A 10 CYS SG : rot -18:sc= -2.91! USER MOD Set 6.2: A 60 MET CE :methyl -149:sc= -3.14 (180deg=-1.02) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 165:sc= 1.23 (180deg=0.926) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -1.27 X(o=-1.3,f=-1.3) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= -0.501 X(o=-0.5,f=-0.52) USER MOD Single : A 11 ASN : amide:sc= -0.055 X(o=-0.055,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 48:sc= 1.14 USER MOD Single : A 20 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.12) USER MOD Single : A 21 LYS NZ :NH3+ 158:sc= -0.061 (180deg=-0.374) USER MOD Single : A 30 TYR OH : rot -135:sc= 0.0974 USER MOD Single : A 31 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0459) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -0.122 X(o=-0.12,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl 138:sc= -0.505 (180deg=-0.974) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -1.42 K(o=-1.4,f=-0.0032) USER MOD Single : A 78 MET CE :methyl -140:sc= -0.752 (180deg=-2.16) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0.0609 K(o=0.061,f=-1.2) USER MOD Single : A 82 CYS SG : rot 62:sc= -1.03! USER MOD Single : A 83 TYR OH : rot 180:sc= -0.656 USER MOD Single : A 84 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00548) USER MOD Single : A 85 TYR OH : rot 15:sc= -1.87! USER MOD Single : A 95 MET CE :methyl -111:sc= -0.553 (180deg=-2.94!) USER MOD Single : A 98 LYS NZ :NH3+ 165:sc= -0.0613 (180deg=-0.343) USER MOD Single : A 100 GLN : amide:sc= -1.29! K(o=-1.3!,f=-0.039) USER MOD Single : A 109 LYS NZ :NH3+ -166:sc= -0.0195 (180deg=-0.254) USER MOD Single : B 281 HIS : no HD1:sc= -0.475 X(o=-0.47,f=-0.85) USER MOD Single : B 282 ASN : amide:sc= 0.151 K(o=0.15,f=-9!) USER MOD Single : B 288 GLN : amide:sc= -0.949 K(o=-0.95,f=-4.1!) USER MOD Single : B 291 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : B 292 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.038 11.646 -2.026 1.00 0.00 N ATOM 2 CA GLY A 1 20.432 11.460 -3.444 1.00 0.00 C ATOM 3 C GLY A 1 20.746 10.014 -3.763 1.00 0.00 C ATOM 4 O GLY A 1 19.910 9.295 -4.300 1.00 0.00 O ATOM 0 H1 GLY A 1 19.832 12.650 -1.852 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.190 11.079 -1.824 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.815 11.340 -1.407 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.627 11.807 -4.092 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.304 12.076 -3.661 1.00 0.00 H new ATOM 10 N LYS A 2 21.951 9.589 -3.431 1.00 0.00 N ATOM 11 CA LYS A 2 22.384 8.217 -3.664 1.00 0.00 C ATOM 12 C LYS A 2 21.551 7.235 -2.838 1.00 0.00 C ATOM 13 O LYS A 2 21.406 7.407 -1.626 1.00 0.00 O ATOM 14 CB LYS A 2 23.873 8.096 -3.314 1.00 0.00 C ATOM 15 CG LYS A 2 24.397 6.671 -3.202 1.00 0.00 C ATOM 16 CD LYS A 2 24.266 5.899 -4.502 1.00 0.00 C ATOM 17 CE LYS A 2 24.997 4.568 -4.424 1.00 0.00 C ATOM 18 NZ LYS A 2 24.597 3.774 -3.231 1.00 0.00 N ATOM 0 H LYS A 2 22.658 10.180 -2.993 1.00 0.00 H new ATOM 0 HA LYS A 2 22.238 7.967 -4.715 1.00 0.00 H new ATOM 0 HB2 LYS A 2 24.452 8.621 -4.073 1.00 0.00 H new ATOM 0 HB3 LYS A 2 24.050 8.607 -2.368 1.00 0.00 H new ATOM 0 HG2 LYS A 2 25.445 6.695 -2.902 1.00 0.00 H new ATOM 0 HG3 LYS A 2 23.852 6.148 -2.416 1.00 0.00 H new ATOM 0 HD2 LYS A 2 23.212 5.726 -4.722 1.00 0.00 H new ATOM 0 HD3 LYS A 2 24.670 6.492 -5.323 1.00 0.00 H new ATOM 0 HE2 LYS A 2 24.794 3.991 -5.326 1.00 0.00 H new ATOM 0 HE3 LYS A 2 26.072 4.747 -4.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 24.915 2.790 -3.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 25.034 4.182 -2.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 23.562 3.794 -3.132 1.00 0.00 H new ATOM 32 N LEU A 3 20.991 6.220 -3.504 1.00 0.00 N ATOM 33 CA LEU A 3 20.245 5.175 -2.807 1.00 0.00 C ATOM 34 C LEU A 3 21.183 4.378 -1.915 1.00 0.00 C ATOM 35 O LEU A 3 21.981 3.577 -2.404 1.00 0.00 O ATOM 36 CB LEU A 3 19.548 4.210 -3.779 1.00 0.00 C ATOM 37 CG LEU A 3 18.352 4.765 -4.559 1.00 0.00 C ATOM 38 CD1 LEU A 3 17.855 3.729 -5.554 1.00 0.00 C ATOM 39 CD2 LEU A 3 17.219 5.154 -3.621 1.00 0.00 C ATOM 0 H LEU A 3 21.041 6.103 -4.516 1.00 0.00 H new ATOM 0 HA LEU A 3 19.478 5.672 -2.213 1.00 0.00 H new ATOM 0 HB2 LEU A 3 20.288 3.856 -4.497 1.00 0.00 H new ATOM 0 HB3 LEU A 3 19.212 3.341 -3.213 1.00 0.00 H new ATOM 0 HG LEU A 3 18.681 5.657 -5.092 1.00 0.00 H new ATOM 0 HD11 LEU A 3 17.005 4.132 -6.104 1.00 0.00 H new ATOM 0 HD12 LEU A 3 18.655 3.482 -6.252 1.00 0.00 H new ATOM 0 HD13 LEU A 3 17.549 2.829 -5.020 1.00 0.00 H new ATOM 0 HD21 LEU A 3 16.384 5.545 -4.202 1.00 0.00 H new ATOM 0 HD22 LEU A 3 16.893 4.277 -3.061 1.00 0.00 H new ATOM 0 HD23 LEU A 3 17.568 5.919 -2.927 1.00 0.00 H new ATOM 51 N SER A 4 21.102 4.618 -0.619 1.00 0.00 N ATOM 52 CA SER A 4 21.903 3.889 0.346 1.00 0.00 C ATOM 53 C SER A 4 21.407 2.449 0.470 1.00 0.00 C ATOM 54 O SER A 4 20.383 2.101 -0.118 1.00 0.00 O ATOM 55 CB SER A 4 21.845 4.600 1.696 1.00 0.00 C ATOM 56 OG SER A 4 22.254 5.950 1.564 1.00 0.00 O ATOM 0 H SER A 4 20.484 5.318 -0.208 1.00 0.00 H new ATOM 0 HA SER A 4 22.938 3.860 0.006 1.00 0.00 H new ATOM 0 HB2 SER A 4 20.830 4.558 2.092 1.00 0.00 H new ATOM 0 HB3 SER A 4 22.488 4.087 2.412 1.00 0.00 H new ATOM 0 HG SER A 4 22.210 6.392 2.437 1.00 0.00 H new ATOM 62 N GLU A 5 22.120 1.621 1.230 1.00 0.00 N ATOM 63 CA GLU A 5 21.757 0.212 1.382 1.00 0.00 C ATOM 64 C GLU A 5 20.291 0.047 1.788 1.00 0.00 C ATOM 65 O GLU A 5 19.591 -0.827 1.272 1.00 0.00 O ATOM 66 CB GLU A 5 22.664 -0.469 2.407 1.00 0.00 C ATOM 67 CG GLU A 5 24.111 -0.581 1.956 1.00 0.00 C ATOM 68 CD GLU A 5 24.986 -1.285 2.971 1.00 0.00 C ATOM 69 OE1 GLU A 5 25.518 -0.605 3.874 1.00 0.00 O ATOM 70 OE2 GLU A 5 25.151 -2.521 2.867 1.00 0.00 O ATOM 0 H GLU A 5 22.952 1.900 1.750 1.00 0.00 H new ATOM 0 HA GLU A 5 21.893 -0.266 0.412 1.00 0.00 H new ATOM 0 HB2 GLU A 5 22.625 0.089 3.342 1.00 0.00 H new ATOM 0 HB3 GLU A 5 22.278 -1.467 2.615 1.00 0.00 H new ATOM 0 HG2 GLU A 5 24.152 -1.121 1.010 1.00 0.00 H new ATOM 0 HG3 GLU A 5 24.508 0.417 1.770 1.00 0.00 H new ATOM 77 N GLN A 6 19.831 0.905 2.692 1.00 0.00 N ATOM 78 CA GLN A 6 18.444 0.874 3.153 1.00 0.00 C ATOM 79 C GLN A 6 17.489 1.185 1.999 1.00 0.00 C ATOM 80 O GLN A 6 16.493 0.493 1.801 1.00 0.00 O ATOM 81 CB GLN A 6 18.218 1.886 4.289 1.00 0.00 C ATOM 82 CG GLN A 6 18.869 1.535 5.629 1.00 0.00 C ATOM 83 CD GLN A 6 20.325 1.129 5.523 1.00 0.00 C ATOM 84 OE1 GLN A 6 21.220 1.970 5.537 1.00 0.00 O ATOM 85 NE2 GLN A 6 20.574 -0.168 5.439 1.00 0.00 N ATOM 0 H GLN A 6 20.400 1.634 3.123 1.00 0.00 H new ATOM 0 HA GLN A 6 18.242 -0.129 3.529 1.00 0.00 H new ATOM 0 HB2 GLN A 6 18.594 2.857 3.966 1.00 0.00 H new ATOM 0 HB3 GLN A 6 17.145 1.996 4.445 1.00 0.00 H new ATOM 0 HG2 GLN A 6 18.790 2.394 6.295 1.00 0.00 H new ATOM 0 HG3 GLN A 6 18.309 0.722 6.091 1.00 0.00 H new ATOM 0 HE21 GLN A 6 19.803 -0.836 5.430 1.00 0.00 H new ATOM 0 HE22 GLN A 6 21.537 -0.500 5.383 1.00 0.00 H new ATOM 94 N LEU A 7 17.818 2.214 1.224 1.00 0.00 N ATOM 95 CA LEU A 7 16.953 2.665 0.135 1.00 0.00 C ATOM 96 C LEU A 7 17.042 1.728 -1.071 1.00 0.00 C ATOM 97 O LEU A 7 16.099 1.599 -1.849 1.00 0.00 O ATOM 98 CB LEU A 7 17.313 4.096 -0.270 1.00 0.00 C ATOM 99 CG LEU A 7 17.084 5.140 0.815 1.00 0.00 C ATOM 100 CD1 LEU A 7 17.704 6.462 0.408 1.00 0.00 C ATOM 101 CD2 LEU A 7 15.597 5.308 1.091 1.00 0.00 C ATOM 0 H LEU A 7 18.678 2.753 1.329 1.00 0.00 H new ATOM 0 HA LEU A 7 15.924 2.648 0.493 1.00 0.00 H new ATOM 0 HB2 LEU A 7 18.362 4.123 -0.566 1.00 0.00 H new ATOM 0 HB3 LEU A 7 16.727 4.369 -1.148 1.00 0.00 H new ATOM 0 HG LEU A 7 17.564 4.799 1.733 1.00 0.00 H new ATOM 0 HD11 LEU A 7 17.534 7.200 1.192 1.00 0.00 H new ATOM 0 HD12 LEU A 7 18.776 6.331 0.260 1.00 0.00 H new ATOM 0 HD13 LEU A 7 17.249 6.807 -0.520 1.00 0.00 H new ATOM 0 HD21 LEU A 7 15.454 6.058 1.869 1.00 0.00 H new ATOM 0 HD22 LEU A 7 15.092 5.629 0.180 1.00 0.00 H new ATOM 0 HD23 LEU A 7 15.179 4.357 1.422 1.00 0.00 H new ATOM 113 N LYS A 8 18.174 1.071 -1.231 1.00 0.00 N ATOM 114 CA LYS A 8 18.308 0.059 -2.264 1.00 0.00 C ATOM 115 C LYS A 8 17.505 -1.171 -1.873 1.00 0.00 C ATOM 116 O LYS A 8 16.938 -1.863 -2.724 1.00 0.00 O ATOM 117 CB LYS A 8 19.779 -0.298 -2.473 1.00 0.00 C ATOM 118 CG LYS A 8 20.015 -1.384 -3.516 1.00 0.00 C ATOM 119 CD LYS A 8 19.503 -0.978 -4.892 1.00 0.00 C ATOM 120 CE LYS A 8 20.143 0.319 -5.367 1.00 0.00 C ATOM 121 NZ LYS A 8 19.837 0.604 -6.793 1.00 0.00 N ATOM 0 H LYS A 8 19.009 1.217 -0.664 1.00 0.00 H new ATOM 0 HA LYS A 8 17.921 0.450 -3.205 1.00 0.00 H new ATOM 0 HB2 LYS A 8 20.321 0.600 -2.770 1.00 0.00 H new ATOM 0 HB3 LYS A 8 20.201 -0.625 -1.522 1.00 0.00 H new ATOM 0 HG2 LYS A 8 21.081 -1.602 -3.576 1.00 0.00 H new ATOM 0 HG3 LYS A 8 19.519 -2.302 -3.201 1.00 0.00 H new ATOM 0 HD2 LYS A 8 19.714 -1.772 -5.608 1.00 0.00 H new ATOM 0 HD3 LYS A 8 18.420 -0.859 -4.857 1.00 0.00 H new ATOM 0 HE2 LYS A 8 19.790 1.145 -4.749 1.00 0.00 H new ATOM 0 HE3 LYS A 8 21.223 0.260 -5.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 20.292 1.496 -7.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 20.196 -0.171 -7.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 18.808 0.687 -6.917 1.00 0.00 H new ATOM 135 N HIS A 9 17.448 -1.424 -0.573 1.00 0.00 N ATOM 136 CA HIS A 9 16.655 -2.519 -0.049 1.00 0.00 C ATOM 137 C HIS A 9 15.170 -2.193 -0.177 1.00 0.00 C ATOM 138 O HIS A 9 14.363 -3.066 -0.485 1.00 0.00 O ATOM 139 CB HIS A 9 17.012 -2.796 1.414 1.00 0.00 C ATOM 140 CG HIS A 9 16.923 -4.245 1.788 1.00 0.00 C ATOM 141 ND1 HIS A 9 18.007 -4.970 2.228 1.00 0.00 N ATOM 142 CD2 HIS A 9 15.876 -5.105 1.784 1.00 0.00 C ATOM 143 CE1 HIS A 9 17.636 -6.211 2.474 1.00 0.00 C ATOM 144 NE2 HIS A 9 16.347 -6.319 2.215 1.00 0.00 N ATOM 0 H HIS A 9 17.943 -0.883 0.136 1.00 0.00 H new ATOM 0 HA HIS A 9 16.875 -3.415 -0.629 1.00 0.00 H new ATOM 0 HB2 HIS A 9 18.025 -2.441 1.606 1.00 0.00 H new ATOM 0 HB3 HIS A 9 16.346 -2.221 2.057 1.00 0.00 H new ATOM 0 HD2 HIS A 9 14.861 -4.877 1.495 1.00 0.00 H new ATOM 0 HE1 HIS A 9 18.278 -7.004 2.827 1.00 0.00 H new ATOM 0 HE2 HIS A 9 15.791 -7.168 2.318 1.00 0.00 H new ATOM 153 N CYS A 10 14.812 -0.927 0.048 1.00 0.00 N ATOM 154 CA CYS A 10 13.423 -0.505 -0.089 1.00 0.00 C ATOM 155 C CYS A 10 13.007 -0.549 -1.552 1.00 0.00 C ATOM 156 O CYS A 10 11.847 -0.811 -1.872 1.00 0.00 O ATOM 157 CB CYS A 10 13.188 0.897 0.507 1.00 0.00 C ATOM 158 SG CYS A 10 13.790 2.288 -0.475 1.00 0.00 S ATOM 0 H CYS A 10 15.458 -0.187 0.322 1.00 0.00 H new ATOM 0 HA CYS A 10 12.803 -1.201 0.477 1.00 0.00 H new ATOM 0 HB2 CYS A 10 12.118 1.027 0.666 1.00 0.00 H new ATOM 0 HB3 CYS A 10 13.663 0.937 1.487 1.00 0.00 H new ATOM 0 HG CYS A 10 14.664 1.864 -1.338 1.00 0.00 H new ATOM 164 N ASN A 11 13.972 -0.315 -2.437 1.00 0.00 N ATOM 165 CA ASN A 11 13.740 -0.425 -3.868 1.00 0.00 C ATOM 166 C ASN A 11 13.354 -1.858 -4.225 1.00 0.00 C ATOM 167 O ASN A 11 12.415 -2.093 -4.986 1.00 0.00 O ATOM 168 CB ASN A 11 14.998 -0.006 -4.646 1.00 0.00 C ATOM 169 CG ASN A 11 14.858 -0.213 -6.144 1.00 0.00 C ATOM 170 OD1 ASN A 11 14.358 0.654 -6.858 1.00 0.00 O ATOM 171 ND2 ASN A 11 15.316 -1.357 -6.631 1.00 0.00 N ATOM 0 H ASN A 11 14.923 -0.048 -2.184 1.00 0.00 H new ATOM 0 HA ASN A 11 12.922 0.241 -4.144 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.210 1.045 -4.447 1.00 0.00 H new ATOM 0 HB3 ASN A 11 15.852 -0.578 -4.283 1.00 0.00 H new ATOM 0 HD21 ASN A 11 15.261 -1.544 -7.632 1.00 0.00 H new ATOM 0 HD22 ASN A 11 15.724 -2.051 -6.005 1.00 0.00 H new ATOM 178 N GLY A 12 14.076 -2.811 -3.640 1.00 0.00 N ATOM 179 CA GLY A 12 13.843 -4.216 -3.928 1.00 0.00 C ATOM 180 C GLY A 12 12.543 -4.728 -3.340 1.00 0.00 C ATOM 181 O GLY A 12 11.830 -5.506 -3.975 1.00 0.00 O ATOM 0 H GLY A 12 14.822 -2.633 -2.968 1.00 0.00 H new ATOM 0 HA2 GLY A 12 13.831 -4.364 -5.008 1.00 0.00 H new ATOM 0 HA3 GLY A 12 14.671 -4.805 -3.535 1.00 0.00 H new ATOM 185 N ILE A 13 12.238 -4.302 -2.120 1.00 0.00 N ATOM 186 CA ILE A 13 11.000 -4.698 -1.455 1.00 0.00 C ATOM 187 C ILE A 13 9.787 -4.209 -2.244 1.00 0.00 C ATOM 188 O ILE A 13 8.867 -4.979 -2.527 1.00 0.00 O ATOM 189 CB ILE A 13 10.939 -4.154 -0.011 1.00 0.00 C ATOM 190 CG1 ILE A 13 12.044 -4.784 0.847 1.00 0.00 C ATOM 191 CG2 ILE A 13 9.574 -4.405 0.599 1.00 0.00 C ATOM 192 CD1 ILE A 13 12.203 -4.147 2.207 1.00 0.00 C ATOM 0 H ILE A 13 12.831 -3.681 -1.569 1.00 0.00 H new ATOM 0 HA ILE A 13 10.984 -5.787 -1.412 1.00 0.00 H new ATOM 0 HB ILE A 13 11.102 -3.077 -0.042 1.00 0.00 H new ATOM 0 HG12 ILE A 13 11.829 -5.845 0.977 1.00 0.00 H new ATOM 0 HG13 ILE A 13 12.991 -4.714 0.311 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.553 -4.014 1.616 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.811 -3.905 0.002 1.00 0.00 H new ATOM 0 HG23 ILE A 13 9.375 -5.477 0.618 1.00 0.00 H new ATOM 0 HD11 ILE A 13 13.003 -4.648 2.752 1.00 0.00 H new ATOM 0 HD12 ILE A 13 12.450 -3.092 2.088 1.00 0.00 H new ATOM 0 HD13 ILE A 13 11.271 -4.241 2.764 1.00 0.00 H new ATOM 204 N LEU A 14 9.804 -2.931 -2.602 1.00 0.00 N ATOM 205 CA LEU A 14 8.752 -2.336 -3.411 1.00 0.00 C ATOM 206 C LEU A 14 8.573 -3.108 -4.712 1.00 0.00 C ATOM 207 O LEU A 14 7.461 -3.471 -5.086 1.00 0.00 O ATOM 208 CB LEU A 14 9.108 -0.888 -3.728 1.00 0.00 C ATOM 209 CG LEU A 14 7.940 0.078 -3.748 1.00 0.00 C ATOM 210 CD1 LEU A 14 8.473 1.488 -3.772 1.00 0.00 C ATOM 211 CD2 LEU A 14 7.044 -0.160 -4.950 1.00 0.00 C ATOM 0 H LEU A 14 10.545 -2.281 -2.340 1.00 0.00 H new ATOM 0 HA LEU A 14 7.819 -2.374 -2.849 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.833 -0.540 -2.992 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.600 -0.857 -4.700 1.00 0.00 H new ATOM 0 HG LEU A 14 7.339 -0.081 -2.853 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.641 2.191 -3.787 1.00 0.00 H new ATOM 0 HD12 LEU A 14 9.080 1.663 -2.884 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.084 1.631 -4.663 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.217 0.550 -4.933 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.620 -0.025 -5.866 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.651 -1.176 -4.915 1.00 0.00 H new ATOM 223 N LYS A 15 9.689 -3.357 -5.386 1.00 0.00 N ATOM 224 CA LYS A 15 9.706 -4.091 -6.634 1.00 0.00 C ATOM 225 C LYS A 15 9.042 -5.456 -6.475 1.00 0.00 C ATOM 226 O LYS A 15 8.341 -5.930 -7.369 1.00 0.00 O ATOM 227 CB LYS A 15 11.159 -4.222 -7.092 1.00 0.00 C ATOM 228 CG LYS A 15 11.500 -5.562 -7.696 1.00 0.00 C ATOM 229 CD LYS A 15 11.098 -5.666 -9.155 1.00 0.00 C ATOM 230 CE LYS A 15 11.831 -6.812 -9.820 1.00 0.00 C ATOM 231 NZ LYS A 15 11.259 -7.157 -11.147 1.00 0.00 N ATOM 0 H LYS A 15 10.611 -3.051 -5.075 1.00 0.00 H new ATOM 0 HA LYS A 15 9.134 -3.554 -7.391 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.369 -3.442 -7.824 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.814 -4.043 -6.239 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.573 -5.734 -7.606 1.00 0.00 H new ATOM 0 HG3 LYS A 15 11.002 -6.349 -7.129 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.022 -5.819 -9.233 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.325 -4.732 -9.670 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.882 -6.548 -9.938 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.794 -7.688 -9.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 11.795 -7.946 -11.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.263 -7.436 -11.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 11.318 -6.331 -11.776 1.00 0.00 H new ATOM 245 N GLU A 16 9.237 -6.057 -5.319 1.00 0.00 N ATOM 246 CA GLU A 16 8.712 -7.389 -5.058 1.00 0.00 C ATOM 247 C GLU A 16 7.204 -7.340 -4.854 1.00 0.00 C ATOM 248 O GLU A 16 6.467 -8.160 -5.402 1.00 0.00 O ATOM 249 CB GLU A 16 9.385 -8.017 -3.827 1.00 0.00 C ATOM 250 CG GLU A 16 8.867 -9.409 -3.474 1.00 0.00 C ATOM 251 CD GLU A 16 9.176 -9.813 -2.058 1.00 0.00 C ATOM 252 OE1 GLU A 16 10.223 -9.384 -1.534 1.00 0.00 O ATOM 253 OE2 GLU A 16 8.391 -10.597 -1.483 1.00 0.00 O ATOM 0 H GLU A 16 9.755 -5.647 -4.542 1.00 0.00 H new ATOM 0 HA GLU A 16 8.933 -8.009 -5.927 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.459 -8.075 -4.004 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.238 -7.359 -2.971 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.788 -9.438 -3.626 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.305 -10.137 -4.157 1.00 0.00 H new ATOM 260 N LEU A 17 6.751 -6.370 -4.072 1.00 0.00 N ATOM 261 CA LEU A 17 5.321 -6.167 -3.851 1.00 0.00 C ATOM 262 C LEU A 17 4.644 -5.790 -5.173 1.00 0.00 C ATOM 263 O LEU A 17 3.444 -5.987 -5.349 1.00 0.00 O ATOM 264 CB LEU A 17 5.098 -5.078 -2.788 1.00 0.00 C ATOM 265 CG LEU A 17 5.688 -5.376 -1.407 1.00 0.00 C ATOM 266 CD1 LEU A 17 5.898 -4.081 -0.647 1.00 0.00 C ATOM 267 CD2 LEU A 17 4.773 -6.296 -0.610 1.00 0.00 C ATOM 0 H LEU A 17 7.351 -5.709 -3.578 1.00 0.00 H new ATOM 0 HA LEU A 17 4.876 -7.092 -3.485 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.526 -4.145 -3.153 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.026 -4.915 -2.679 1.00 0.00 H new ATOM 0 HG LEU A 17 6.645 -5.878 -1.546 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.318 -4.299 0.335 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.585 -3.441 -1.201 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.943 -3.570 -0.527 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.215 -6.492 0.367 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.802 -5.819 -0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.646 -7.237 -1.146 1.00 0.00 H new ATOM 279 N LEU A 18 5.443 -5.271 -6.104 1.00 0.00 N ATOM 280 CA LEU A 18 4.961 -4.908 -7.435 1.00 0.00 C ATOM 281 C LEU A 18 5.114 -6.058 -8.432 1.00 0.00 C ATOM 282 O LEU A 18 4.612 -5.989 -9.556 1.00 0.00 O ATOM 283 CB LEU A 18 5.732 -3.708 -7.962 1.00 0.00 C ATOM 284 CG LEU A 18 5.447 -2.390 -7.261 1.00 0.00 C ATOM 285 CD1 LEU A 18 6.300 -1.295 -7.865 1.00 0.00 C ATOM 286 CD2 LEU A 18 3.975 -2.029 -7.350 1.00 0.00 C ATOM 0 H LEU A 18 6.436 -5.091 -5.958 1.00 0.00 H new ATOM 0 HA LEU A 18 3.902 -4.669 -7.336 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.798 -3.919 -7.882 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.509 -3.592 -9.023 1.00 0.00 H new ATOM 0 HG LEU A 18 5.698 -2.498 -6.206 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.093 -0.352 -7.360 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.354 -1.547 -7.745 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.069 -1.197 -8.926 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.801 -1.082 -6.840 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.686 -1.936 -8.397 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.380 -2.810 -6.877 1.00 0.00 H new ATOM 298 N SER A 19 5.847 -7.084 -8.040 1.00 0.00 N ATOM 299 CA SER A 19 6.056 -8.246 -8.896 1.00 0.00 C ATOM 300 C SER A 19 4.787 -9.083 -9.019 1.00 0.00 C ATOM 301 O SER A 19 3.968 -9.151 -8.096 1.00 0.00 O ATOM 302 CB SER A 19 7.193 -9.110 -8.350 1.00 0.00 C ATOM 303 OG SER A 19 8.422 -8.403 -8.352 1.00 0.00 O ATOM 0 H SER A 19 6.310 -7.140 -7.133 1.00 0.00 H new ATOM 0 HA SER A 19 6.322 -7.882 -9.888 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.956 -9.429 -7.335 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.289 -10.013 -8.953 1.00 0.00 H new ATOM 0 HG SER A 19 8.289 -7.515 -7.960 1.00 0.00 H new ATOM 309 N LYS A 20 4.656 -9.734 -10.178 1.00 0.00 N ATOM 310 CA LYS A 20 3.499 -10.562 -10.513 1.00 0.00 C ATOM 311 C LYS A 20 3.257 -11.642 -9.465 1.00 0.00 C ATOM 312 O LYS A 20 2.130 -12.100 -9.286 1.00 0.00 O ATOM 313 CB LYS A 20 3.701 -11.208 -11.883 1.00 0.00 C ATOM 314 CG LYS A 20 2.453 -11.896 -12.392 1.00 0.00 C ATOM 315 CD LYS A 20 1.445 -10.897 -12.935 1.00 0.00 C ATOM 316 CE LYS A 20 0.136 -11.573 -13.315 1.00 0.00 C ATOM 317 NZ LYS A 20 0.331 -12.651 -14.320 1.00 0.00 N ATOM 0 H LYS A 20 5.359 -9.699 -10.916 1.00 0.00 H new ATOM 0 HA LYS A 20 2.622 -9.915 -10.536 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.008 -10.445 -12.598 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.512 -11.933 -11.822 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.721 -12.605 -13.175 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.998 -12.470 -11.585 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.254 -10.128 -12.186 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.863 -10.395 -13.808 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.328 -11.991 -12.422 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.553 -10.828 -13.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.595 -12.979 -14.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.885 -12.284 -15.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.840 -13.446 -13.882 1.00 0.00 H new ATOM 331 N LYS A 21 4.323 -12.035 -8.783 1.00 0.00 N ATOM 332 CA LYS A 21 4.250 -13.012 -7.704 1.00 0.00 C ATOM 333 C LYS A 21 3.216 -12.605 -6.657 1.00 0.00 C ATOM 334 O LYS A 21 2.502 -13.444 -6.106 1.00 0.00 O ATOM 335 CB LYS A 21 5.624 -13.144 -7.048 1.00 0.00 C ATOM 336 CG LYS A 21 5.627 -14.003 -5.801 1.00 0.00 C ATOM 337 CD LYS A 21 6.998 -14.060 -5.170 1.00 0.00 C ATOM 338 CE LYS A 21 7.105 -15.256 -4.254 1.00 0.00 C ATOM 339 NZ LYS A 21 7.152 -16.533 -5.018 1.00 0.00 N ATOM 0 H LYS A 21 5.264 -11.686 -8.962 1.00 0.00 H new ATOM 0 HA LYS A 21 3.944 -13.969 -8.126 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.322 -13.567 -7.771 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.992 -12.150 -6.794 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.911 -13.605 -5.082 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.299 -15.012 -6.052 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.761 -14.119 -5.946 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.185 -13.145 -4.608 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.002 -15.166 -3.641 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.254 -15.270 -3.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.587 -17.273 -4.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.186 -16.819 -5.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.716 -16.400 -5.882 1.00 0.00 H new ATOM 353 N HIS A 22 3.137 -11.312 -6.386 1.00 0.00 N ATOM 354 CA HIS A 22 2.222 -10.812 -5.373 1.00 0.00 C ATOM 355 C HIS A 22 1.065 -10.069 -6.020 1.00 0.00 C ATOM 356 O HIS A 22 0.064 -9.804 -5.365 1.00 0.00 O ATOM 357 CB HIS A 22 2.948 -9.892 -4.379 1.00 0.00 C ATOM 358 CG HIS A 22 4.089 -10.561 -3.669 1.00 0.00 C ATOM 359 ND1 HIS A 22 3.927 -11.364 -2.558 1.00 0.00 N ATOM 360 CD2 HIS A 22 5.415 -10.538 -3.921 1.00 0.00 C ATOM 361 CE1 HIS A 22 5.106 -11.801 -2.155 1.00 0.00 C ATOM 362 NE2 HIS A 22 6.034 -11.313 -2.963 1.00 0.00 N ATOM 0 H HIS A 22 3.692 -10.593 -6.850 1.00 0.00 H new ATOM 0 HA HIS A 22 1.830 -11.669 -4.825 1.00 0.00 H new ATOM 0 HB2 HIS A 22 3.324 -9.019 -4.912 1.00 0.00 H new ATOM 0 HB3 HIS A 22 2.232 -9.531 -3.640 1.00 0.00 H new ATOM 0 HD2 HIS A 22 5.902 -10.009 -4.726 1.00 0.00 H new ATOM 0 HE1 HIS A 22 5.283 -12.448 -1.308 1.00 0.00 H new ATOM 0 HE2 HIS A 22 7.037 -11.482 -2.889 1.00 0.00 H new ATOM 371 N ALA A 23 1.202 -9.767 -7.313 1.00 0.00 N ATOM 372 CA ALA A 23 0.219 -8.972 -8.053 1.00 0.00 C ATOM 373 C ALA A 23 -1.204 -9.470 -7.857 1.00 0.00 C ATOM 374 O ALA A 23 -2.139 -8.673 -7.789 1.00 0.00 O ATOM 375 CB ALA A 23 0.568 -8.970 -9.529 1.00 0.00 C ATOM 0 H ALA A 23 1.998 -10.067 -7.877 1.00 0.00 H new ATOM 0 HA ALA A 23 0.260 -7.957 -7.657 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.166 -8.378 -10.076 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.559 -8.538 -9.668 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.562 -9.993 -9.906 1.00 0.00 H new ATOM 381 N ALA A 24 -1.349 -10.785 -7.741 1.00 0.00 N ATOM 382 CA ALA A 24 -2.649 -11.419 -7.552 1.00 0.00 C ATOM 383 C ALA A 24 -3.407 -10.826 -6.364 1.00 0.00 C ATOM 384 O ALA A 24 -4.638 -10.818 -6.345 1.00 0.00 O ATOM 385 CB ALA A 24 -2.456 -12.913 -7.359 1.00 0.00 C ATOM 0 H ALA A 24 -0.569 -11.442 -7.775 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.250 -11.234 -8.442 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.426 -13.390 -7.217 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.970 -13.334 -8.239 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.834 -13.089 -6.482 1.00 0.00 H new ATOM 391 N TYR A 25 -2.672 -10.331 -5.377 1.00 0.00 N ATOM 392 CA TYR A 25 -3.277 -9.746 -4.190 1.00 0.00 C ATOM 393 C TYR A 25 -2.558 -8.455 -3.788 1.00 0.00 C ATOM 394 O TYR A 25 -2.694 -7.980 -2.663 1.00 0.00 O ATOM 395 CB TYR A 25 -3.285 -10.768 -3.041 1.00 0.00 C ATOM 396 CG TYR A 25 -2.005 -11.566 -2.899 1.00 0.00 C ATOM 397 CD1 TYR A 25 -0.863 -11.003 -2.353 1.00 0.00 C ATOM 398 CD2 TYR A 25 -1.951 -12.895 -3.306 1.00 0.00 C ATOM 399 CE1 TYR A 25 0.298 -11.740 -2.220 1.00 0.00 C ATOM 400 CE2 TYR A 25 -0.793 -13.634 -3.177 1.00 0.00 C ATOM 401 CZ TYR A 25 0.329 -13.051 -2.633 1.00 0.00 C ATOM 402 OH TYR A 25 1.488 -13.779 -2.502 1.00 0.00 O ATOM 0 H TYR A 25 -1.652 -10.324 -5.376 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.310 -9.483 -4.418 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.476 -10.242 -2.106 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.114 -11.459 -3.193 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -0.881 -9.974 -2.027 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.831 -13.356 -3.730 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.180 -11.287 -1.792 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.767 -14.664 -3.501 1.00 0.00 H new ATOM 0 HH TYR A 25 2.258 -13.172 -2.508 1.00 0.00 H new ATOM 412 N ALA A 26 -1.797 -7.893 -4.725 1.00 0.00 N ATOM 413 CA ALA A 26 -1.087 -6.637 -4.497 1.00 0.00 C ATOM 414 C ALA A 26 -1.643 -5.523 -5.382 1.00 0.00 C ATOM 415 O ALA A 26 -1.356 -4.338 -5.173 1.00 0.00 O ATOM 416 CB ALA A 26 0.406 -6.806 -4.760 1.00 0.00 C ATOM 0 H ALA A 26 -1.656 -8.290 -5.654 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.235 -6.360 -3.453 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.916 -5.859 -4.584 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.810 -7.565 -4.090 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.561 -7.115 -5.794 1.00 0.00 H new ATOM 422 N TRP A 27 -2.450 -5.903 -6.373 1.00 0.00 N ATOM 423 CA TRP A 27 -2.989 -4.939 -7.325 1.00 0.00 C ATOM 424 C TRP A 27 -3.766 -3.777 -6.666 1.00 0.00 C ATOM 425 O TRP A 27 -3.700 -2.662 -7.180 1.00 0.00 O ATOM 426 CB TRP A 27 -3.843 -5.622 -8.412 1.00 0.00 C ATOM 427 CG TRP A 27 -5.000 -6.446 -7.915 1.00 0.00 C ATOM 428 CD1 TRP A 27 -4.990 -7.782 -7.641 1.00 0.00 C ATOM 429 CD2 TRP A 27 -6.340 -5.996 -7.662 1.00 0.00 C ATOM 430 NE1 TRP A 27 -6.233 -8.191 -7.228 1.00 0.00 N ATOM 431 CE2 TRP A 27 -7.080 -7.114 -7.232 1.00 0.00 C ATOM 432 CE3 TRP A 27 -6.987 -4.757 -7.751 1.00 0.00 C ATOM 433 CZ2 TRP A 27 -8.428 -7.033 -6.895 1.00 0.00 C ATOM 434 CZ3 TRP A 27 -8.325 -4.680 -7.416 1.00 0.00 C ATOM 435 CH2 TRP A 27 -9.033 -5.811 -6.995 1.00 0.00 C ATOM 0 H TRP A 27 -2.742 -6.867 -6.535 1.00 0.00 H new ATOM 0 HA TRP A 27 -2.116 -4.492 -7.801 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -4.230 -4.853 -9.080 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -3.194 -6.264 -9.007 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -4.128 -8.425 -7.735 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -6.486 -9.143 -6.961 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -6.450 -3.878 -8.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -8.976 -7.904 -6.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -8.834 -3.730 -7.480 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -10.079 -5.717 -6.744 1.00 0.00 H new ATOM 446 N PRO A 28 -4.512 -3.981 -5.538 1.00 0.00 N ATOM 447 CA PRO A 28 -5.209 -2.875 -4.860 1.00 0.00 C ATOM 448 C PRO A 28 -4.294 -1.692 -4.543 1.00 0.00 C ATOM 449 O PRO A 28 -4.759 -0.558 -4.427 1.00 0.00 O ATOM 450 CB PRO A 28 -5.719 -3.474 -3.539 1.00 0.00 C ATOM 451 CG PRO A 28 -5.238 -4.888 -3.489 1.00 0.00 C ATOM 452 CD PRO A 28 -4.788 -5.270 -4.874 1.00 0.00 C ATOM 0 HA PRO A 28 -5.996 -2.485 -5.505 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.342 -2.908 -2.687 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -6.807 -3.434 -3.492 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -4.417 -4.987 -2.779 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -6.034 -5.551 -3.150 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.899 -5.900 -4.843 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.559 -5.832 -5.402 1.00 0.00 H new ATOM 460 N PHE A 29 -3.000 -1.958 -4.421 1.00 0.00 N ATOM 461 CA PHE A 29 -2.059 -0.951 -3.928 1.00 0.00 C ATOM 462 C PHE A 29 -1.106 -0.470 -5.018 1.00 0.00 C ATOM 463 O PHE A 29 -0.337 0.470 -4.800 1.00 0.00 O ATOM 464 CB PHE A 29 -1.244 -1.510 -2.765 1.00 0.00 C ATOM 465 CG PHE A 29 -1.995 -2.505 -1.929 1.00 0.00 C ATOM 466 CD1 PHE A 29 -1.645 -3.846 -1.953 1.00 0.00 C ATOM 467 CD2 PHE A 29 -3.056 -2.107 -1.131 1.00 0.00 C ATOM 468 CE1 PHE A 29 -2.337 -4.767 -1.199 1.00 0.00 C ATOM 469 CE2 PHE A 29 -3.749 -3.028 -0.373 1.00 0.00 C ATOM 470 CZ PHE A 29 -3.388 -4.358 -0.409 1.00 0.00 C ATOM 0 H PHE A 29 -2.576 -2.856 -4.654 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.653 -0.100 -3.595 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.344 -1.983 -3.157 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.920 -0.686 -2.130 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.821 -4.172 -2.570 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.343 -1.066 -1.102 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.056 -5.809 -1.227 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.573 -2.708 0.248 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.930 -5.080 0.183 1.00 0.00 H new ATOM 480 N TYR A 30 -1.127 -1.136 -6.170 1.00 0.00 N ATOM 481 CA TYR A 30 -0.291 -0.731 -7.303 1.00 0.00 C ATOM 482 C TYR A 30 -0.484 0.743 -7.643 1.00 0.00 C ATOM 483 O TYR A 30 0.476 1.507 -7.699 1.00 0.00 O ATOM 484 CB TYR A 30 -0.590 -1.596 -8.534 1.00 0.00 C ATOM 485 CG TYR A 30 0.124 -2.928 -8.522 1.00 0.00 C ATOM 486 CD1 TYR A 30 0.597 -3.460 -7.337 1.00 0.00 C ATOM 487 CD2 TYR A 30 0.337 -3.646 -9.692 1.00 0.00 C ATOM 488 CE1 TYR A 30 1.262 -4.664 -7.308 1.00 0.00 C ATOM 489 CE2 TYR A 30 0.999 -4.859 -9.671 1.00 0.00 C ATOM 490 CZ TYR A 30 1.462 -5.359 -8.473 1.00 0.00 C ATOM 491 OH TYR A 30 2.124 -6.560 -8.439 1.00 0.00 O ATOM 0 H TYR A 30 -1.710 -1.955 -6.346 1.00 0.00 H new ATOM 0 HA TYR A 30 0.748 -0.878 -7.009 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -1.664 -1.769 -8.594 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -0.305 -1.048 -9.432 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.441 -2.919 -6.415 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.020 -3.251 -10.632 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.625 -5.060 -6.371 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.152 -5.411 -10.587 1.00 0.00 H new ATOM 0 HH TYR A 30 2.780 -6.593 -9.166 1.00 0.00 H new ATOM 501 N LYS A 31 -1.729 1.138 -7.841 1.00 0.00 N ATOM 502 CA LYS A 31 -2.055 2.499 -8.227 1.00 0.00 C ATOM 503 C LYS A 31 -3.252 2.990 -7.425 1.00 0.00 C ATOM 504 O LYS A 31 -3.994 2.174 -6.872 1.00 0.00 O ATOM 505 CB LYS A 31 -2.362 2.553 -9.726 1.00 0.00 C ATOM 506 CG LYS A 31 -1.123 2.510 -10.608 1.00 0.00 C ATOM 507 CD LYS A 31 -1.488 2.559 -12.082 1.00 0.00 C ATOM 508 CE LYS A 31 -0.253 2.504 -12.969 1.00 0.00 C ATOM 509 NZ LYS A 31 0.571 3.735 -12.856 1.00 0.00 N ATOM 0 H LYS A 31 -2.539 0.527 -7.739 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.203 3.147 -8.019 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.010 1.716 -9.985 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.918 3.465 -9.941 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.472 3.350 -10.365 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.559 1.600 -10.402 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.146 1.724 -12.322 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.045 3.473 -12.289 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.350 1.638 -12.696 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.558 2.366 -14.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.325 3.715 -13.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -0.030 4.570 -13.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.996 3.783 -11.908 1.00 0.00 H new ATOM 523 N PRO A 32 -3.458 4.318 -7.346 1.00 0.00 N ATOM 524 CA PRO A 32 -4.584 4.904 -6.610 1.00 0.00 C ATOM 525 C PRO A 32 -5.916 4.321 -7.062 1.00 0.00 C ATOM 526 O PRO A 32 -6.167 4.178 -8.262 1.00 0.00 O ATOM 527 CB PRO A 32 -4.511 6.403 -6.952 1.00 0.00 C ATOM 528 CG PRO A 32 -3.588 6.494 -8.119 1.00 0.00 C ATOM 529 CD PRO A 32 -2.621 5.360 -7.958 1.00 0.00 C ATOM 0 HA PRO A 32 -4.521 4.703 -5.540 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -5.496 6.799 -7.198 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.136 6.982 -6.108 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.135 6.412 -9.058 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.069 7.452 -8.134 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.207 5.040 -8.914 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.779 5.631 -7.321 1.00 0.00 H new ATOM 537 N VAL A 33 -6.759 3.966 -6.099 1.00 0.00 N ATOM 538 CA VAL A 33 -8.052 3.373 -6.408 1.00 0.00 C ATOM 539 C VAL A 33 -8.884 4.356 -7.224 1.00 0.00 C ATOM 540 O VAL A 33 -8.791 5.573 -7.034 1.00 0.00 O ATOM 541 CB VAL A 33 -8.821 2.935 -5.127 1.00 0.00 C ATOM 542 CG1 VAL A 33 -7.858 2.499 -4.038 1.00 0.00 C ATOM 543 CG2 VAL A 33 -9.769 4.013 -4.618 1.00 0.00 C ATOM 0 H VAL A 33 -6.571 4.078 -5.103 1.00 0.00 H new ATOM 0 HA VAL A 33 -7.875 2.471 -6.993 1.00 0.00 H new ATOM 0 HB VAL A 33 -9.437 2.080 -5.406 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.420 2.198 -3.154 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.263 1.658 -4.394 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.198 3.328 -3.783 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.280 3.656 -3.724 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.202 4.912 -4.377 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.505 4.244 -5.388 1.00 0.00 H new ATOM 553 N ASP A 34 -9.673 3.832 -8.142 1.00 0.00 N ATOM 554 CA ASP A 34 -10.467 4.674 -9.027 1.00 0.00 C ATOM 555 C ASP A 34 -11.783 5.012 -8.354 1.00 0.00 C ATOM 556 O ASP A 34 -12.836 4.551 -8.782 1.00 0.00 O ATOM 557 CB ASP A 34 -10.723 3.983 -10.374 1.00 0.00 C ATOM 558 CG ASP A 34 -9.445 3.678 -11.132 1.00 0.00 C ATOM 559 OD1 ASP A 34 -9.025 4.513 -11.963 1.00 0.00 O ATOM 560 OD2 ASP A 34 -8.848 2.604 -10.901 1.00 0.00 O ATOM 0 H ASP A 34 -9.784 2.830 -8.297 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.910 5.590 -9.225 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -11.268 3.055 -10.203 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.361 4.619 -10.988 1.00 0.00 H new ATOM 565 N ALA A 35 -11.702 5.815 -7.295 1.00 0.00 N ATOM 566 CA ALA A 35 -12.853 6.114 -6.443 1.00 0.00 C ATOM 567 C ALA A 35 -14.068 6.547 -7.262 1.00 0.00 C ATOM 568 O ALA A 35 -15.184 6.121 -6.987 1.00 0.00 O ATOM 569 CB ALA A 35 -12.490 7.178 -5.413 1.00 0.00 C ATOM 0 H ALA A 35 -10.840 6.276 -7.003 1.00 0.00 H new ATOM 0 HA ALA A 35 -13.124 5.197 -5.920 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -13.357 7.389 -4.787 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -11.672 6.817 -4.790 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -12.181 8.090 -5.925 1.00 0.00 H new ATOM 575 N SER A 36 -13.848 7.362 -8.284 1.00 0.00 N ATOM 576 CA SER A 36 -14.939 7.836 -9.125 1.00 0.00 C ATOM 577 C SER A 36 -15.621 6.681 -9.863 1.00 0.00 C ATOM 578 O SER A 36 -16.849 6.621 -9.936 1.00 0.00 O ATOM 579 CB SER A 36 -14.413 8.875 -10.112 1.00 0.00 C ATOM 580 OG SER A 36 -13.824 9.961 -9.416 1.00 0.00 O ATOM 0 H SER A 36 -12.926 7.708 -8.551 1.00 0.00 H new ATOM 0 HA SER A 36 -15.691 8.299 -8.486 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.678 8.418 -10.775 1.00 0.00 H new ATOM 0 HB3 SER A 36 -15.228 9.236 -10.740 1.00 0.00 H new ATOM 0 HG SER A 36 -13.489 10.619 -10.060 1.00 0.00 H new ATOM 586 N ALA A 37 -14.825 5.748 -10.375 1.00 0.00 N ATOM 587 CA ALA A 37 -15.357 4.587 -11.084 1.00 0.00 C ATOM 588 C ALA A 37 -15.820 3.517 -10.100 1.00 0.00 C ATOM 589 O ALA A 37 -16.451 2.529 -10.477 1.00 0.00 O ATOM 590 CB ALA A 37 -14.303 4.020 -12.019 1.00 0.00 C ATOM 0 H ALA A 37 -13.807 5.772 -10.313 1.00 0.00 H new ATOM 0 HA ALA A 37 -16.218 4.906 -11.671 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -14.709 3.155 -12.543 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -14.013 4.780 -12.744 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.429 3.717 -11.442 1.00 0.00 H new ATOM 596 N LEU A 38 -15.485 3.721 -8.838 1.00 0.00 N ATOM 597 CA LEU A 38 -15.847 2.798 -7.774 1.00 0.00 C ATOM 598 C LEU A 38 -17.081 3.294 -7.022 1.00 0.00 C ATOM 599 O LEU A 38 -17.639 2.584 -6.187 1.00 0.00 O ATOM 600 CB LEU A 38 -14.658 2.630 -6.823 1.00 0.00 C ATOM 601 CG LEU A 38 -13.490 1.817 -7.389 1.00 0.00 C ATOM 602 CD1 LEU A 38 -12.198 2.119 -6.642 1.00 0.00 C ATOM 603 CD2 LEU A 38 -13.799 0.333 -7.321 1.00 0.00 C ATOM 0 H LEU A 38 -14.954 4.532 -8.521 1.00 0.00 H new ATOM 0 HA LEU A 38 -16.095 1.830 -8.209 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.292 3.618 -6.544 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -15.007 2.149 -5.909 1.00 0.00 H new ATOM 0 HG LEU A 38 -13.354 2.104 -8.432 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -11.386 1.528 -7.065 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -11.962 3.179 -6.737 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -12.319 1.867 -5.589 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -12.960 -0.232 -7.727 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -13.964 0.043 -6.283 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -14.695 0.121 -7.904 1.00 0.00 H new ATOM 615 N GLY A 39 -17.505 4.516 -7.336 1.00 0.00 N ATOM 616 CA GLY A 39 -18.666 5.101 -6.682 1.00 0.00 C ATOM 617 C GLY A 39 -18.314 5.769 -5.367 1.00 0.00 C ATOM 618 O GLY A 39 -19.189 6.258 -4.648 1.00 0.00 O ATOM 0 H GLY A 39 -17.064 5.114 -8.034 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -19.124 5.833 -7.347 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -19.409 4.324 -6.504 1.00 0.00 H new ATOM 622 N LEU A 40 -17.027 5.801 -5.067 1.00 0.00 N ATOM 623 CA LEU A 40 -16.532 6.330 -3.809 1.00 0.00 C ATOM 624 C LEU A 40 -16.297 7.833 -3.922 1.00 0.00 C ATOM 625 O LEU A 40 -15.246 8.277 -4.378 1.00 0.00 O ATOM 626 CB LEU A 40 -15.227 5.623 -3.433 1.00 0.00 C ATOM 627 CG LEU A 40 -15.186 4.122 -3.733 1.00 0.00 C ATOM 628 CD1 LEU A 40 -13.919 3.509 -3.170 1.00 0.00 C ATOM 629 CD2 LEU A 40 -16.421 3.413 -3.195 1.00 0.00 C ATOM 0 H LEU A 40 -16.295 5.460 -5.690 1.00 0.00 H new ATOM 0 HA LEU A 40 -17.276 6.152 -3.032 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -14.406 6.105 -3.963 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -15.048 5.769 -2.368 1.00 0.00 H new ATOM 0 HG LEU A 40 -15.183 3.993 -4.815 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -13.902 2.442 -3.390 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.051 3.987 -3.624 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -13.892 3.657 -2.090 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -16.359 2.349 -3.425 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -16.476 3.548 -2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -17.313 3.834 -3.659 1.00 0.00 H new ATOM 641 N HIS A 41 -17.287 8.611 -3.517 1.00 0.00 N ATOM 642 CA HIS A 41 -17.194 10.068 -3.594 1.00 0.00 C ATOM 643 C HIS A 41 -16.505 10.627 -2.352 1.00 0.00 C ATOM 644 O HIS A 41 -16.273 11.831 -2.240 1.00 0.00 O ATOM 645 CB HIS A 41 -18.588 10.698 -3.733 1.00 0.00 C ATOM 646 CG HIS A 41 -19.377 10.210 -4.924 1.00 0.00 C ATOM 647 ND1 HIS A 41 -19.248 10.765 -6.178 1.00 0.00 N ATOM 648 CD2 HIS A 41 -20.310 9.222 -5.053 1.00 0.00 C ATOM 649 CE1 HIS A 41 -20.054 10.148 -7.020 1.00 0.00 C ATOM 650 NE2 HIS A 41 -20.708 9.209 -6.366 1.00 0.00 N ATOM 0 H HIS A 41 -18.165 8.263 -3.131 1.00 0.00 H new ATOM 0 HA HIS A 41 -16.604 10.318 -4.475 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -19.158 10.493 -2.827 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -18.479 11.780 -3.804 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -20.668 8.572 -4.268 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -20.160 10.374 -8.071 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -21.398 8.576 -6.770 1.00 0.00 H new ATOM 659 N ASP A 42 -16.176 9.744 -1.424 1.00 0.00 N ATOM 660 CA ASP A 42 -15.652 10.154 -0.128 1.00 0.00 C ATOM 661 C ASP A 42 -14.314 9.496 0.202 1.00 0.00 C ATOM 662 O ASP A 42 -13.917 9.445 1.366 1.00 0.00 O ATOM 663 CB ASP A 42 -16.669 9.820 0.969 1.00 0.00 C ATOM 664 CG ASP A 42 -17.207 8.398 0.868 1.00 0.00 C ATOM 665 OD1 ASP A 42 -16.623 7.575 0.131 1.00 0.00 O ATOM 666 OD2 ASP A 42 -18.241 8.112 1.510 1.00 0.00 O ATOM 0 H ASP A 42 -16.262 8.735 -1.543 1.00 0.00 H new ATOM 0 HA ASP A 42 -15.482 11.230 -0.177 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -16.202 9.958 1.944 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -17.501 10.522 0.912 1.00 0.00 H new ATOM 671 N TYR A 43 -13.596 9.031 -0.811 1.00 0.00 N ATOM 672 CA TYR A 43 -12.350 8.314 -0.582 1.00 0.00 C ATOM 673 C TYR A 43 -11.301 9.214 0.070 1.00 0.00 C ATOM 674 O TYR A 43 -10.618 8.803 1.005 1.00 0.00 O ATOM 675 CB TYR A 43 -11.824 7.742 -1.909 1.00 0.00 C ATOM 676 CG TYR A 43 -10.490 7.033 -1.803 1.00 0.00 C ATOM 677 CD1 TYR A 43 -10.432 5.703 -1.435 1.00 0.00 C ATOM 678 CD2 TYR A 43 -9.295 7.688 -2.079 1.00 0.00 C ATOM 679 CE1 TYR A 43 -9.230 5.035 -1.337 1.00 0.00 C ATOM 680 CE2 TYR A 43 -8.084 7.028 -1.983 1.00 0.00 C ATOM 681 CZ TYR A 43 -8.057 5.701 -1.611 1.00 0.00 C ATOM 682 OH TYR A 43 -6.852 5.041 -1.512 1.00 0.00 O ATOM 0 H TYR A 43 -13.853 9.136 -1.793 1.00 0.00 H new ATOM 0 HA TYR A 43 -12.550 7.492 0.106 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -12.561 7.045 -2.307 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -11.733 8.555 -2.630 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -11.349 5.174 -1.219 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -9.313 8.727 -2.373 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -9.209 3.995 -1.047 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.163 7.550 -2.198 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.123 5.655 -1.740 1.00 0.00 H new ATOM 692 N HIS A 44 -11.197 10.451 -0.394 1.00 0.00 N ATOM 693 CA HIS A 44 -10.167 11.355 0.110 1.00 0.00 C ATOM 694 C HIS A 44 -10.583 12.005 1.424 1.00 0.00 C ATOM 695 O HIS A 44 -9.788 12.690 2.067 1.00 0.00 O ATOM 696 CB HIS A 44 -9.822 12.425 -0.928 1.00 0.00 C ATOM 697 CG HIS A 44 -8.984 11.912 -2.056 1.00 0.00 C ATOM 698 ND1 HIS A 44 -7.627 12.122 -2.139 1.00 0.00 N ATOM 699 CD2 HIS A 44 -9.319 11.192 -3.152 1.00 0.00 C ATOM 700 CE1 HIS A 44 -7.163 11.556 -3.237 1.00 0.00 C ATOM 701 NE2 HIS A 44 -8.170 10.985 -3.869 1.00 0.00 N ATOM 0 H HIS A 44 -11.804 10.850 -1.110 1.00 0.00 H new ATOM 0 HA HIS A 44 -9.277 10.756 0.301 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -10.746 12.840 -1.331 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -9.294 13.241 -0.435 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -10.308 10.845 -3.413 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -6.133 11.560 -3.563 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -8.104 10.473 -4.749 1.00 0.00 H new ATOM 710 N ASP A 45 -11.826 11.786 1.824 1.00 0.00 N ATOM 711 CA ASP A 45 -12.311 12.288 3.105 1.00 0.00 C ATOM 712 C ASP A 45 -11.912 11.342 4.219 1.00 0.00 C ATOM 713 O ASP A 45 -11.648 11.760 5.344 1.00 0.00 O ATOM 714 CB ASP A 45 -13.830 12.450 3.095 1.00 0.00 C ATOM 715 CG ASP A 45 -14.288 13.632 2.271 1.00 0.00 C ATOM 716 OD1 ASP A 45 -14.178 13.583 1.029 1.00 0.00 O ATOM 717 OD2 ASP A 45 -14.780 14.615 2.862 1.00 0.00 O ATOM 0 H ASP A 45 -12.517 11.266 1.284 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.859 13.265 3.274 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -14.285 11.541 2.702 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -14.185 12.567 4.119 1.00 0.00 H new ATOM 722 N ILE A 46 -11.880 10.059 3.901 1.00 0.00 N ATOM 723 CA ILE A 46 -11.499 9.043 4.865 1.00 0.00 C ATOM 724 C ILE A 46 -9.995 8.825 4.821 1.00 0.00 C ATOM 725 O ILE A 46 -9.323 8.834 5.854 1.00 0.00 O ATOM 726 CB ILE A 46 -12.246 7.708 4.614 1.00 0.00 C ATOM 727 CG1 ILE A 46 -13.695 7.797 5.087 1.00 0.00 C ATOM 728 CG2 ILE A 46 -11.558 6.537 5.311 1.00 0.00 C ATOM 729 CD1 ILE A 46 -14.557 8.772 4.313 1.00 0.00 C ATOM 0 H ILE A 46 -12.115 9.696 2.977 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.783 9.396 5.856 1.00 0.00 H new ATOM 0 HB ILE A 46 -12.227 7.531 3.539 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -14.145 6.806 5.023 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -13.702 8.083 6.139 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -12.111 5.619 5.112 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.540 6.437 4.934 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -11.531 6.718 6.386 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -15.568 8.767 4.720 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -14.137 9.775 4.397 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -14.587 8.478 3.264 1.00 0.00 H new ATOM 741 N ILE A 47 -9.472 8.664 3.619 1.00 0.00 N ATOM 742 CA ILE A 47 -8.052 8.441 3.435 1.00 0.00 C ATOM 743 C ILE A 47 -7.311 9.775 3.437 1.00 0.00 C ATOM 744 O ILE A 47 -7.262 10.477 2.424 1.00 0.00 O ATOM 745 CB ILE A 47 -7.775 7.698 2.116 1.00 0.00 C ATOM 746 CG1 ILE A 47 -8.708 6.489 1.970 1.00 0.00 C ATOM 747 CG2 ILE A 47 -6.321 7.263 2.062 1.00 0.00 C ATOM 748 CD1 ILE A 47 -8.371 5.328 2.868 1.00 0.00 C ATOM 0 H ILE A 47 -10.012 8.684 2.754 1.00 0.00 H new ATOM 0 HA ILE A 47 -7.696 7.824 4.260 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.969 8.376 1.284 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.730 6.807 2.177 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.683 6.150 0.934 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.133 6.738 1.126 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.676 8.140 2.122 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.109 6.599 2.900 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.081 4.519 2.698 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.363 4.978 2.647 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.425 5.646 3.909 1.00 0.00 H new ATOM 760 N LYS A 48 -6.753 10.124 4.586 1.00 0.00 N ATOM 761 CA LYS A 48 -6.071 11.399 4.755 1.00 0.00 C ATOM 762 C LYS A 48 -4.631 11.327 4.262 1.00 0.00 C ATOM 763 O LYS A 48 -4.042 12.338 3.884 1.00 0.00 O ATOM 764 CB LYS A 48 -6.102 11.821 6.219 1.00 0.00 C ATOM 765 CG LYS A 48 -7.476 12.272 6.678 1.00 0.00 C ATOM 766 CD LYS A 48 -7.897 13.556 5.982 1.00 0.00 C ATOM 767 CE LYS A 48 -9.381 13.787 6.112 1.00 0.00 C ATOM 768 NZ LYS A 48 -9.798 15.104 5.561 1.00 0.00 N ATOM 0 H LYS A 48 -6.759 9.538 5.421 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.596 12.143 4.155 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.774 10.987 6.839 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.390 12.632 6.373 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.206 11.489 6.473 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.469 12.426 7.757 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.356 14.399 6.412 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.625 13.507 4.928 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.917 12.992 5.593 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.665 13.729 7.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.826 15.217 5.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.308 15.865 6.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.552 15.151 4.552 1.00 0.00 H new ATOM 782 N HIS A 49 -4.067 10.128 4.273 1.00 0.00 N ATOM 783 CA HIS A 49 -2.701 9.915 3.792 1.00 0.00 C ATOM 784 C HIS A 49 -2.660 8.908 2.638 1.00 0.00 C ATOM 785 O HIS A 49 -1.988 7.884 2.744 1.00 0.00 O ATOM 786 CB HIS A 49 -1.801 9.420 4.929 1.00 0.00 C ATOM 787 CG HIS A 49 -1.524 10.446 5.986 1.00 0.00 C ATOM 788 ND1 HIS A 49 -0.406 11.250 5.979 1.00 0.00 N ATOM 789 CD2 HIS A 49 -2.221 10.785 7.098 1.00 0.00 C ATOM 790 CE1 HIS A 49 -0.425 12.038 7.038 1.00 0.00 C ATOM 791 NE2 HIS A 49 -1.515 11.776 7.731 1.00 0.00 N ATOM 0 H HIS A 49 -4.531 9.284 4.609 1.00 0.00 H new ATOM 0 HA HIS A 49 -2.334 10.874 3.427 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -2.268 8.552 5.395 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -0.854 9.085 4.507 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -3.157 10.355 7.424 1.00 0.00 H new ATOM 0 HE1 HIS A 49 0.325 12.772 7.293 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -1.790 12.236 8.599 1.00 0.00 H new ATOM 800 N PRO A 50 -3.357 9.183 1.512 1.00 0.00 N ATOM 801 CA PRO A 50 -3.439 8.246 0.385 1.00 0.00 C ATOM 802 C PRO A 50 -2.088 8.023 -0.283 1.00 0.00 C ATOM 803 O PRO A 50 -1.486 8.953 -0.827 1.00 0.00 O ATOM 804 CB PRO A 50 -4.409 8.920 -0.589 1.00 0.00 C ATOM 805 CG PRO A 50 -4.356 10.364 -0.242 1.00 0.00 C ATOM 806 CD PRO A 50 -4.108 10.422 1.240 1.00 0.00 C ATOM 0 HA PRO A 50 -3.766 7.258 0.710 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -4.111 8.751 -1.624 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -5.418 8.524 -0.479 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -3.561 10.869 -0.791 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.290 10.863 -0.502 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.536 11.307 1.517 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.041 10.457 1.802 1.00 0.00 H new ATOM 814 N MET A 51 -1.606 6.797 -0.222 1.00 0.00 N ATOM 815 CA MET A 51 -0.333 6.455 -0.820 1.00 0.00 C ATOM 816 C MET A 51 -0.453 5.162 -1.614 1.00 0.00 C ATOM 817 O MET A 51 -1.256 4.294 -1.279 1.00 0.00 O ATOM 818 CB MET A 51 0.750 6.344 0.263 1.00 0.00 C ATOM 819 CG MET A 51 2.098 5.848 -0.253 1.00 0.00 C ATOM 820 SD MET A 51 2.664 6.770 -1.701 1.00 0.00 S ATOM 821 CE MET A 51 2.653 8.442 -1.070 1.00 0.00 C ATOM 0 H MET A 51 -2.080 6.019 0.238 1.00 0.00 H new ATOM 0 HA MET A 51 -0.041 7.247 -1.509 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.887 7.321 0.726 1.00 0.00 H new ATOM 0 HB3 MET A 51 0.401 5.668 1.043 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.841 5.932 0.540 1.00 0.00 H new ATOM 0 HG3 MET A 51 2.020 4.791 -0.507 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.547 8.965 -1.410 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.767 8.962 -1.434 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.639 8.420 0.020 1.00 0.00 H new ATOM 831 N ASP A 52 0.350 5.051 -2.658 1.00 0.00 N ATOM 832 CA ASP A 52 0.317 3.906 -3.554 1.00 0.00 C ATOM 833 C ASP A 52 1.747 3.434 -3.772 1.00 0.00 C ATOM 834 O ASP A 52 2.660 4.258 -3.768 1.00 0.00 O ATOM 835 CB ASP A 52 -0.314 4.304 -4.903 1.00 0.00 C ATOM 836 CG ASP A 52 -1.360 5.396 -4.756 1.00 0.00 C ATOM 837 OD1 ASP A 52 -2.507 5.090 -4.379 1.00 0.00 O ATOM 838 OD2 ASP A 52 -1.025 6.579 -5.009 1.00 0.00 O ATOM 0 H ASP A 52 1.045 5.754 -2.910 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.283 3.108 -3.117 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.469 4.644 -5.581 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.771 3.426 -5.360 1.00 0.00 H new ATOM 843 N LEU A 53 1.962 2.134 -3.951 1.00 0.00 N ATOM 844 CA LEU A 53 3.319 1.615 -4.149 1.00 0.00 C ATOM 845 C LEU A 53 4.000 2.278 -5.343 1.00 0.00 C ATOM 846 O LEU A 53 5.211 2.513 -5.329 1.00 0.00 O ATOM 847 CB LEU A 53 3.302 0.099 -4.310 1.00 0.00 C ATOM 848 CG LEU A 53 3.168 -0.676 -3.001 1.00 0.00 C ATOM 849 CD1 LEU A 53 2.873 -2.130 -3.284 1.00 0.00 C ATOM 850 CD2 LEU A 53 4.431 -0.552 -2.172 1.00 0.00 C ATOM 0 H LEU A 53 1.228 1.426 -3.964 1.00 0.00 H new ATOM 0 HA LEU A 53 3.899 1.859 -3.259 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.475 -0.175 -4.966 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.220 -0.211 -4.809 1.00 0.00 H new ATOM 0 HG LEU A 53 2.341 -0.250 -2.433 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.780 -2.672 -2.343 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.941 -2.210 -3.843 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.686 -2.559 -3.871 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.314 -1.112 -1.244 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.275 -0.953 -2.733 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.614 0.498 -1.942 1.00 0.00 H new ATOM 862 N SER A 54 3.217 2.600 -6.360 1.00 0.00 N ATOM 863 CA SER A 54 3.726 3.322 -7.519 1.00 0.00 C ATOM 864 C SER A 54 4.264 4.698 -7.111 1.00 0.00 C ATOM 865 O SER A 54 5.335 5.115 -7.555 1.00 0.00 O ATOM 866 CB SER A 54 2.621 3.478 -8.568 1.00 0.00 C ATOM 867 OG SER A 54 1.433 3.986 -7.980 1.00 0.00 O ATOM 0 H SER A 54 2.224 2.373 -6.408 1.00 0.00 H new ATOM 0 HA SER A 54 4.547 2.747 -7.948 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.956 4.150 -9.358 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.418 2.514 -9.034 1.00 0.00 H new ATOM 0 HG SER A 54 0.886 3.242 -7.652 1.00 0.00 H new ATOM 873 N THR A 55 3.522 5.382 -6.248 1.00 0.00 N ATOM 874 CA THR A 55 3.895 6.707 -5.784 1.00 0.00 C ATOM 875 C THR A 55 5.076 6.632 -4.826 1.00 0.00 C ATOM 876 O THR A 55 5.928 7.521 -4.810 1.00 0.00 O ATOM 877 CB THR A 55 2.716 7.405 -5.087 1.00 0.00 C ATOM 878 OG1 THR A 55 1.512 7.177 -5.836 1.00 0.00 O ATOM 879 CG2 THR A 55 2.974 8.894 -4.997 1.00 0.00 C ATOM 0 H THR A 55 2.649 5.033 -5.853 1.00 0.00 H new ATOM 0 HA THR A 55 4.180 7.289 -6.660 1.00 0.00 H new ATOM 0 HB THR A 55 2.607 6.998 -4.082 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.775 6.983 -5.220 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.133 9.380 -4.502 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.884 9.072 -4.424 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.091 9.304 -6.000 1.00 0.00 H new ATOM 887 N VAL A 56 5.131 5.564 -4.037 1.00 0.00 N ATOM 888 CA VAL A 56 6.258 5.339 -3.144 1.00 0.00 C ATOM 889 C VAL A 56 7.531 5.227 -3.961 1.00 0.00 C ATOM 890 O VAL A 56 8.544 5.857 -3.660 1.00 0.00 O ATOM 891 CB VAL A 56 6.095 4.057 -2.303 1.00 0.00 C ATOM 892 CG1 VAL A 56 7.325 3.829 -1.441 1.00 0.00 C ATOM 893 CG2 VAL A 56 4.855 4.139 -1.434 1.00 0.00 C ATOM 0 H VAL A 56 4.410 4.844 -3.999 1.00 0.00 H new ATOM 0 HA VAL A 56 6.304 6.186 -2.459 1.00 0.00 H new ATOM 0 HB VAL A 56 5.983 3.214 -2.985 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.194 2.920 -0.853 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.202 3.725 -2.079 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.462 4.678 -0.771 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.759 3.224 -0.849 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.938 4.993 -0.761 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.975 4.259 -2.066 1.00 0.00 H new ATOM 903 N LYS A 57 7.454 4.435 -5.021 1.00 0.00 N ATOM 904 CA LYS A 57 8.582 4.242 -5.909 1.00 0.00 C ATOM 905 C LYS A 57 8.929 5.550 -6.585 1.00 0.00 C ATOM 906 O LYS A 57 10.096 5.891 -6.735 1.00 0.00 O ATOM 907 CB LYS A 57 8.259 3.192 -6.964 1.00 0.00 C ATOM 908 CG LYS A 57 9.375 2.187 -7.164 1.00 0.00 C ATOM 909 CD LYS A 57 9.093 1.255 -8.323 1.00 0.00 C ATOM 910 CE LYS A 57 10.067 0.093 -8.319 1.00 0.00 C ATOM 911 NZ LYS A 57 9.873 -0.797 -9.494 1.00 0.00 N ATOM 0 H LYS A 57 6.617 3.915 -5.284 1.00 0.00 H new ATOM 0 HA LYS A 57 9.433 3.897 -5.321 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.350 2.664 -6.676 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.052 3.689 -7.912 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.312 2.715 -7.342 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.506 1.604 -6.253 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.071 0.881 -8.256 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.172 1.800 -9.263 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.088 0.475 -8.318 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.941 -0.483 -7.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.558 -1.579 -9.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.907 -1.182 -9.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.018 -0.254 -10.369 1.00 0.00 H new ATOM 925 N ARG A 58 7.896 6.278 -6.978 1.00 0.00 N ATOM 926 CA ARG A 58 8.063 7.579 -7.605 1.00 0.00 C ATOM 927 C ARG A 58 8.860 8.524 -6.711 1.00 0.00 C ATOM 928 O ARG A 58 9.857 9.111 -7.137 1.00 0.00 O ATOM 929 CB ARG A 58 6.692 8.181 -7.902 1.00 0.00 C ATOM 930 CG ARG A 58 6.766 9.534 -8.590 1.00 0.00 C ATOM 931 CD ARG A 58 5.397 10.150 -8.784 1.00 0.00 C ATOM 932 NE ARG A 58 5.497 11.529 -9.257 1.00 0.00 N ATOM 933 CZ ARG A 58 4.519 12.187 -9.874 1.00 0.00 C ATOM 934 NH1 ARG A 58 3.367 11.586 -10.146 1.00 0.00 N ATOM 935 NH2 ARG A 58 4.704 13.449 -10.232 1.00 0.00 N ATOM 0 H ARG A 58 6.924 5.986 -6.872 1.00 0.00 H new ATOM 0 HA ARG A 58 8.617 7.445 -8.534 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.129 7.492 -8.531 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.139 8.285 -6.969 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.386 10.208 -7.998 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.253 9.421 -9.559 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.828 9.558 -9.501 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.848 10.125 -7.843 1.00 0.00 H new ATOM 0 HE ARG A 58 6.377 12.021 -9.104 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.225 10.611 -9.882 1.00 0.00 H new ATOM 0 HH12 ARG A 58 2.623 12.099 -10.619 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.592 13.910 -10.034 1.00 0.00 H new ATOM 0 HH22 ARG A 58 3.958 13.959 -10.705 1.00 0.00 H new ATOM 949 N LYS A 59 8.431 8.648 -5.464 1.00 0.00 N ATOM 950 CA LYS A 59 9.076 9.551 -4.521 1.00 0.00 C ATOM 951 C LYS A 59 10.444 9.005 -4.107 1.00 0.00 C ATOM 952 O LYS A 59 11.362 9.767 -3.794 1.00 0.00 O ATOM 953 CB LYS A 59 8.166 9.785 -3.305 1.00 0.00 C ATOM 954 CG LYS A 59 6.838 10.442 -3.658 1.00 0.00 C ATOM 955 CD LYS A 59 5.812 10.339 -2.531 1.00 0.00 C ATOM 956 CE LYS A 59 6.290 10.996 -1.241 1.00 0.00 C ATOM 957 NZ LYS A 59 6.972 10.033 -0.336 1.00 0.00 N ATOM 0 H LYS A 59 7.638 8.134 -5.081 1.00 0.00 H new ATOM 0 HA LYS A 59 9.241 10.514 -5.005 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.972 8.830 -2.817 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.691 10.410 -2.583 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.008 11.492 -3.894 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.434 9.975 -4.556 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.880 10.807 -2.849 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.592 9.289 -2.340 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.973 11.811 -1.482 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.438 11.437 -0.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.677 10.537 0.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.270 9.587 0.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.447 9.301 -0.902 1.00 0.00 H new ATOM 971 N MET A 60 10.580 7.681 -4.117 1.00 0.00 N ATOM 972 CA MET A 60 11.879 7.040 -3.910 1.00 0.00 C ATOM 973 C MET A 60 12.820 7.373 -5.066 1.00 0.00 C ATOM 974 O MET A 60 14.008 7.615 -4.862 1.00 0.00 O ATOM 975 CB MET A 60 11.738 5.515 -3.794 1.00 0.00 C ATOM 976 CG MET A 60 13.064 4.796 -3.603 1.00 0.00 C ATOM 977 SD MET A 60 12.970 3.055 -4.058 1.00 0.00 S ATOM 978 CE MET A 60 11.625 2.526 -3.007 1.00 0.00 C ATOM 0 H MET A 60 9.808 7.031 -4.266 1.00 0.00 H new ATOM 0 HA MET A 60 12.291 7.422 -2.976 1.00 0.00 H new ATOM 0 HB2 MET A 60 11.083 5.281 -2.955 1.00 0.00 H new ATOM 0 HB3 MET A 60 11.253 5.134 -4.693 1.00 0.00 H new ATOM 0 HG2 MET A 60 13.830 5.285 -4.204 1.00 0.00 H new ATOM 0 HG3 MET A 60 13.374 4.881 -2.561 1.00 0.00 H new ATOM 0 HE1 MET A 60 11.769 1.482 -2.729 1.00 0.00 H new ATOM 0 HE2 MET A 60 11.603 3.141 -2.107 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.682 2.632 -3.542 1.00 0.00 H new ATOM 988 N GLU A 61 12.277 7.393 -6.283 1.00 0.00 N ATOM 989 CA GLU A 61 13.065 7.708 -7.470 1.00 0.00 C ATOM 990 C GLU A 61 13.514 9.160 -7.461 1.00 0.00 C ATOM 991 O GLU A 61 14.559 9.502 -8.013 1.00 0.00 O ATOM 992 CB GLU A 61 12.272 7.416 -8.742 1.00 0.00 C ATOM 993 CG GLU A 61 12.198 5.936 -9.079 1.00 0.00 C ATOM 994 CD GLU A 61 11.479 5.664 -10.381 1.00 0.00 C ATOM 995 OE1 GLU A 61 12.019 6.010 -11.450 1.00 0.00 O ATOM 996 OE2 GLU A 61 10.374 5.087 -10.344 1.00 0.00 O ATOM 0 H GLU A 61 11.294 7.194 -6.471 1.00 0.00 H new ATOM 0 HA GLU A 61 13.950 7.073 -7.454 1.00 0.00 H new ATOM 0 HB2 GLU A 61 11.261 7.807 -8.629 1.00 0.00 H new ATOM 0 HB3 GLU A 61 12.728 7.949 -9.576 1.00 0.00 H new ATOM 0 HG2 GLU A 61 13.208 5.531 -9.136 1.00 0.00 H new ATOM 0 HG3 GLU A 61 11.689 5.410 -8.272 1.00 0.00 H new ATOM 1003 N ASN A 62 12.722 10.011 -6.823 1.00 0.00 N ATOM 1004 CA ASN A 62 13.088 11.412 -6.650 1.00 0.00 C ATOM 1005 C ASN A 62 14.064 11.545 -5.496 1.00 0.00 C ATOM 1006 O ASN A 62 14.563 12.631 -5.197 1.00 0.00 O ATOM 1007 CB ASN A 62 11.858 12.288 -6.392 1.00 0.00 C ATOM 1008 CG ASN A 62 11.041 12.571 -7.643 1.00 0.00 C ATOM 1009 OD1 ASN A 62 10.447 13.641 -7.771 1.00 0.00 O ATOM 1010 ND2 ASN A 62 10.993 11.624 -8.568 1.00 0.00 N ATOM 0 H ASN A 62 11.822 9.757 -6.416 1.00 0.00 H new ATOM 0 HA ASN A 62 13.556 11.755 -7.573 1.00 0.00 H new ATOM 0 HB2 ASN A 62 11.221 11.798 -5.655 1.00 0.00 H new ATOM 0 HB3 ASN A 62 12.180 13.234 -5.957 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.451 11.770 -9.420 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.498 10.749 -8.429 1.00 0.00 H new ATOM 1017 N ARG A 63 14.321 10.402 -4.862 1.00 0.00 N ATOM 1018 CA ARG A 63 15.260 10.284 -3.760 1.00 0.00 C ATOM 1019 C ARG A 63 14.878 11.214 -2.617 1.00 0.00 C ATOM 1020 O ARG A 63 15.735 11.810 -1.965 1.00 0.00 O ATOM 1021 CB ARG A 63 16.679 10.562 -4.252 1.00 0.00 C ATOM 1022 CG ARG A 63 17.049 9.777 -5.501 1.00 0.00 C ATOM 1023 CD ARG A 63 17.256 8.294 -5.228 1.00 0.00 C ATOM 1024 NE ARG A 63 17.430 7.540 -6.474 1.00 0.00 N ATOM 1025 CZ ARG A 63 18.617 7.172 -6.967 1.00 0.00 C ATOM 1026 NH1 ARG A 63 19.734 7.511 -6.340 1.00 0.00 N ATOM 1027 NH2 ARG A 63 18.685 6.484 -8.101 1.00 0.00 N ATOM 0 H ARG A 63 13.872 9.520 -5.108 1.00 0.00 H new ATOM 0 HA ARG A 63 15.223 9.265 -3.375 1.00 0.00 H new ATOM 0 HB2 ARG A 63 16.782 11.627 -4.457 1.00 0.00 H new ATOM 0 HB3 ARG A 63 17.385 10.321 -3.457 1.00 0.00 H new ATOM 0 HG2 ARG A 63 16.263 9.898 -6.246 1.00 0.00 H new ATOM 0 HG3 ARG A 63 17.961 10.193 -5.929 1.00 0.00 H new ATOM 0 HD2 ARG A 63 18.132 8.158 -4.593 1.00 0.00 H new ATOM 0 HD3 ARG A 63 16.400 7.901 -4.679 1.00 0.00 H new ATOM 0 HE ARG A 63 16.594 7.280 -6.997 1.00 0.00 H new ATOM 0 HH11 ARG A 63 19.690 8.055 -5.478 1.00 0.00 H new ATOM 0 HH12 ARG A 63 20.638 7.228 -6.719 1.00 0.00 H new ATOM 0 HH21 ARG A 63 17.830 6.235 -8.598 1.00 0.00 H new ATOM 0 HH22 ARG A 63 19.592 6.205 -8.474 1.00 0.00 H new ATOM 1041 N ASP A 64 13.574 11.334 -2.393 1.00 0.00 N ATOM 1042 CA ASP A 64 13.048 12.104 -1.264 1.00 0.00 C ATOM 1043 C ASP A 64 13.251 11.348 0.038 1.00 0.00 C ATOM 1044 O ASP A 64 13.148 11.914 1.126 1.00 0.00 O ATOM 1045 CB ASP A 64 11.553 12.387 -1.448 1.00 0.00 C ATOM 1046 CG ASP A 64 11.275 13.634 -2.257 1.00 0.00 C ATOM 1047 OD1 ASP A 64 11.327 13.570 -3.501 1.00 0.00 O ATOM 1048 OD2 ASP A 64 10.982 14.686 -1.652 1.00 0.00 O ATOM 0 H ASP A 64 12.857 10.907 -2.979 1.00 0.00 H new ATOM 0 HA ASP A 64 13.591 13.048 -1.226 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.086 11.533 -1.938 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.086 12.486 -0.468 1.00 0.00 H new ATOM 1053 N TYR A 65 13.529 10.063 -0.085 1.00 0.00 N ATOM 1054 CA TYR A 65 13.665 9.186 1.066 1.00 0.00 C ATOM 1055 C TYR A 65 15.115 9.160 1.514 1.00 0.00 C ATOM 1056 O TYR A 65 16.022 9.097 0.686 1.00 0.00 O ATOM 1057 CB TYR A 65 13.219 7.757 0.719 1.00 0.00 C ATOM 1058 CG TYR A 65 11.767 7.619 0.297 1.00 0.00 C ATOM 1059 CD1 TYR A 65 11.065 6.444 0.531 1.00 0.00 C ATOM 1060 CD2 TYR A 65 11.104 8.653 -0.341 1.00 0.00 C ATOM 1061 CE1 TYR A 65 9.744 6.314 0.142 1.00 0.00 C ATOM 1062 CE2 TYR A 65 9.794 8.530 -0.729 1.00 0.00 C ATOM 1063 CZ TYR A 65 9.115 7.364 -0.488 1.00 0.00 C ATOM 1064 OH TYR A 65 7.802 7.256 -0.879 1.00 0.00 O ATOM 0 H TYR A 65 13.667 9.598 -0.982 1.00 0.00 H new ATOM 0 HA TYR A 65 13.031 9.567 1.867 1.00 0.00 H new ATOM 0 HB2 TYR A 65 13.852 7.381 -0.085 1.00 0.00 H new ATOM 0 HB3 TYR A 65 13.391 7.119 1.586 1.00 0.00 H new ATOM 0 HD1 TYR A 65 11.558 5.619 1.024 1.00 0.00 H new ATOM 0 HD2 TYR A 65 11.629 9.576 -0.537 1.00 0.00 H new ATOM 0 HE1 TYR A 65 9.210 5.395 0.331 1.00 0.00 H new ATOM 0 HE2 TYR A 65 9.298 9.352 -1.224 1.00 0.00 H new ATOM 0 HH TYR A 65 7.218 7.383 -0.102 1.00 0.00 H new ATOM 1074 N ARG A 66 15.332 9.233 2.815 1.00 0.00 N ATOM 1075 CA ARG A 66 16.674 9.137 3.361 1.00 0.00 C ATOM 1076 C ARG A 66 16.964 7.709 3.802 1.00 0.00 C ATOM 1077 O ARG A 66 18.100 7.243 3.714 1.00 0.00 O ATOM 1078 CB ARG A 66 16.836 10.099 4.539 1.00 0.00 C ATOM 1079 CG ARG A 66 18.178 10.012 5.250 1.00 0.00 C ATOM 1080 CD ARG A 66 18.202 10.909 6.472 1.00 0.00 C ATOM 1081 NE ARG A 66 19.514 10.942 7.112 1.00 0.00 N ATOM 1082 CZ ARG A 66 19.809 10.317 8.252 1.00 0.00 C ATOM 1083 NH1 ARG A 66 18.917 9.524 8.836 1.00 0.00 N ATOM 1084 NH2 ARG A 66 21.009 10.467 8.794 1.00 0.00 N ATOM 0 H ARG A 66 14.598 9.358 3.512 1.00 0.00 H new ATOM 0 HA ARG A 66 17.387 9.413 2.584 1.00 0.00 H new ATOM 0 HB2 ARG A 66 16.696 11.119 4.180 1.00 0.00 H new ATOM 0 HB3 ARG A 66 16.044 9.904 5.262 1.00 0.00 H new ATOM 0 HG2 ARG A 66 18.371 8.981 5.547 1.00 0.00 H new ATOM 0 HG3 ARG A 66 18.976 10.301 4.566 1.00 0.00 H new ATOM 0 HD2 ARG A 66 17.916 11.920 6.183 1.00 0.00 H new ATOM 0 HD3 ARG A 66 17.459 10.561 7.190 1.00 0.00 H new ATOM 0 HE ARG A 66 20.253 11.478 6.657 1.00 0.00 H new ATOM 0 HH11 ARG A 66 17.999 9.390 8.412 1.00 0.00 H new ATOM 0 HH12 ARG A 66 19.150 9.049 9.708 1.00 0.00 H new ATOM 0 HH21 ARG A 66 21.704 11.059 8.339 1.00 0.00 H new ATOM 0 HH22 ARG A 66 21.238 9.990 9.666 1.00 0.00 H new ATOM 1098 N ASP A 67 15.930 7.006 4.253 1.00 0.00 N ATOM 1099 CA ASP A 67 16.100 5.663 4.785 1.00 0.00 C ATOM 1100 C ASP A 67 14.895 4.805 4.452 1.00 0.00 C ATOM 1101 O ASP A 67 13.842 5.310 4.047 1.00 0.00 O ATOM 1102 CB ASP A 67 16.308 5.693 6.304 1.00 0.00 C ATOM 1103 CG ASP A 67 17.684 6.189 6.703 1.00 0.00 C ATOM 1104 OD1 ASP A 67 18.640 5.388 6.673 1.00 0.00 O ATOM 1105 OD2 ASP A 67 17.817 7.377 7.053 1.00 0.00 O ATOM 0 H ASP A 67 14.968 7.345 4.260 1.00 0.00 H new ATOM 0 HA ASP A 67 16.987 5.232 4.322 1.00 0.00 H new ATOM 0 HB2 ASP A 67 15.551 6.334 6.756 1.00 0.00 H new ATOM 0 HB3 ASP A 67 16.158 4.691 6.706 1.00 0.00 H new ATOM 1110 N ALA A 68 15.050 3.505 4.644 1.00 0.00 N ATOM 1111 CA ALA A 68 14.006 2.550 4.317 1.00 0.00 C ATOM 1112 C ALA A 68 12.852 2.666 5.293 1.00 0.00 C ATOM 1113 O ALA A 68 11.761 2.174 5.030 1.00 0.00 O ATOM 1114 CB ALA A 68 14.557 1.140 4.329 1.00 0.00 C ATOM 0 H ALA A 68 15.897 3.085 5.028 1.00 0.00 H new ATOM 0 HA ALA A 68 13.639 2.775 3.316 1.00 0.00 H new ATOM 0 HB1 ALA A 68 13.762 0.437 4.082 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.357 1.056 3.594 1.00 0.00 H new ATOM 0 HB3 ALA A 68 14.949 0.911 5.320 1.00 0.00 H new ATOM 1120 N GLN A 69 13.098 3.318 6.419 1.00 0.00 N ATOM 1121 CA GLN A 69 12.051 3.546 7.398 1.00 0.00 C ATOM 1122 C GLN A 69 11.092 4.606 6.876 1.00 0.00 C ATOM 1123 O GLN A 69 9.910 4.602 7.200 1.00 0.00 O ATOM 1124 CB GLN A 69 12.626 3.969 8.747 1.00 0.00 C ATOM 1125 CG GLN A 69 11.563 4.090 9.824 1.00 0.00 C ATOM 1126 CD GLN A 69 10.939 2.756 10.205 1.00 0.00 C ATOM 1127 OE1 GLN A 69 11.582 1.710 10.135 1.00 0.00 O ATOM 1128 NE2 GLN A 69 9.678 2.785 10.612 1.00 0.00 N ATOM 0 H GLN A 69 14.010 3.696 6.675 1.00 0.00 H new ATOM 0 HA GLN A 69 11.514 2.610 7.551 1.00 0.00 H new ATOM 0 HB2 GLN A 69 13.376 3.243 9.062 1.00 0.00 H new ATOM 0 HB3 GLN A 69 13.136 4.926 8.636 1.00 0.00 H new ATOM 0 HG2 GLN A 69 12.005 4.544 10.711 1.00 0.00 H new ATOM 0 HG3 GLN A 69 10.780 4.764 9.478 1.00 0.00 H new ATOM 0 HE21 GLN A 69 9.177 3.672 10.657 1.00 0.00 H new ATOM 0 HE22 GLN A 69 9.209 1.920 10.880 1.00 0.00 H new ATOM 1137 N GLU A 70 11.613 5.506 6.051 1.00 0.00 N ATOM 1138 CA GLU A 70 10.791 6.500 5.380 1.00 0.00 C ATOM 1139 C GLU A 70 9.974 5.833 4.290 1.00 0.00 C ATOM 1140 O GLU A 70 8.845 6.237 3.999 1.00 0.00 O ATOM 1141 CB GLU A 70 11.662 7.609 4.804 1.00 0.00 C ATOM 1142 CG GLU A 70 12.236 8.522 5.867 1.00 0.00 C ATOM 1143 CD GLU A 70 13.270 9.472 5.317 1.00 0.00 C ATOM 1144 OE1 GLU A 70 14.294 9.676 5.988 1.00 0.00 O ATOM 1145 OE2 GLU A 70 13.072 10.002 4.207 1.00 0.00 O ATOM 0 H GLU A 70 12.607 5.566 5.831 1.00 0.00 H new ATOM 0 HA GLU A 70 10.110 6.950 6.103 1.00 0.00 H new ATOM 0 HB2 GLU A 70 12.479 7.164 4.235 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.072 8.201 4.104 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.429 9.094 6.324 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.685 7.918 6.656 1.00 0.00 H new ATOM 1152 N PHE A 71 10.552 4.804 3.689 1.00 0.00 N ATOM 1153 CA PHE A 71 9.808 3.954 2.776 1.00 0.00 C ATOM 1154 C PHE A 71 8.730 3.196 3.544 1.00 0.00 C ATOM 1155 O PHE A 71 7.557 3.233 3.174 1.00 0.00 O ATOM 1156 CB PHE A 71 10.743 2.981 2.043 1.00 0.00 C ATOM 1157 CG PHE A 71 10.058 1.726 1.558 1.00 0.00 C ATOM 1158 CD1 PHE A 71 9.413 1.707 0.337 1.00 0.00 C ATOM 1159 CD2 PHE A 71 10.060 0.568 2.325 1.00 0.00 C ATOM 1160 CE1 PHE A 71 8.783 0.563 -0.116 1.00 0.00 C ATOM 1161 CE2 PHE A 71 9.429 -0.577 1.880 1.00 0.00 C ATOM 1162 CZ PHE A 71 8.790 -0.580 0.656 1.00 0.00 C ATOM 0 H PHE A 71 11.529 4.539 3.817 1.00 0.00 H new ATOM 0 HA PHE A 71 9.331 4.581 2.023 1.00 0.00 H new ATOM 0 HB2 PHE A 71 11.189 3.493 1.190 1.00 0.00 H new ATOM 0 HB3 PHE A 71 11.559 2.704 2.710 1.00 0.00 H new ATOM 0 HD1 PHE A 71 9.401 2.598 -0.273 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.561 0.563 3.282 1.00 0.00 H new ATOM 0 HE1 PHE A 71 8.285 0.564 -1.074 1.00 0.00 H new ATOM 0 HE2 PHE A 71 9.435 -1.469 2.489 1.00 0.00 H new ATOM 0 HZ PHE A 71 8.297 -1.474 0.304 1.00 0.00 H new ATOM 1172 N ALA A 72 9.141 2.523 4.621 1.00 0.00 N ATOM 1173 CA ALA A 72 8.225 1.785 5.475 1.00 0.00 C ATOM 1174 C ALA A 72 7.125 2.699 5.996 1.00 0.00 C ATOM 1175 O ALA A 72 5.975 2.287 6.131 1.00 0.00 O ATOM 1176 CB ALA A 72 8.981 1.136 6.627 1.00 0.00 C ATOM 0 H ALA A 72 10.115 2.478 4.920 1.00 0.00 H new ATOM 0 HA ALA A 72 7.758 0.997 4.884 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.282 0.587 7.258 1.00 0.00 H new ATOM 0 HB2 ALA A 72 9.728 0.449 6.230 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.475 1.907 7.218 1.00 0.00 H new ATOM 1182 N ALA A 73 7.492 3.946 6.266 1.00 0.00 N ATOM 1183 CA ALA A 73 6.546 4.961 6.688 1.00 0.00 C ATOM 1184 C ALA A 73 5.414 5.093 5.676 1.00 0.00 C ATOM 1185 O ALA A 73 4.234 5.026 6.032 1.00 0.00 O ATOM 1186 CB ALA A 73 7.261 6.291 6.865 1.00 0.00 C ATOM 0 H ALA A 73 8.454 4.278 6.197 1.00 0.00 H new ATOM 0 HA ALA A 73 6.113 4.663 7.643 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.545 7.050 7.182 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.039 6.188 7.621 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.712 6.590 5.919 1.00 0.00 H new ATOM 1192 N ASP A 74 5.788 5.247 4.412 1.00 0.00 N ATOM 1193 CA ASP A 74 4.829 5.456 3.336 1.00 0.00 C ATOM 1194 C ASP A 74 4.014 4.199 3.049 1.00 0.00 C ATOM 1195 O ASP A 74 2.781 4.232 3.040 1.00 0.00 O ATOM 1196 CB ASP A 74 5.560 5.880 2.064 1.00 0.00 C ATOM 1197 CG ASP A 74 5.231 7.295 1.639 1.00 0.00 C ATOM 1198 OD1 ASP A 74 4.079 7.732 1.822 1.00 0.00 O ATOM 1199 OD2 ASP A 74 6.131 7.980 1.112 1.00 0.00 O ATOM 0 H ASP A 74 6.761 5.231 4.105 1.00 0.00 H new ATOM 0 HA ASP A 74 4.144 6.240 3.657 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.635 5.795 2.223 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.302 5.194 1.257 1.00 0.00 H new ATOM 1204 N VAL A 75 4.709 3.087 2.822 1.00 0.00 N ATOM 1205 CA VAL A 75 4.056 1.845 2.416 1.00 0.00 C ATOM 1206 C VAL A 75 3.124 1.311 3.506 1.00 0.00 C ATOM 1207 O VAL A 75 2.014 0.863 3.213 1.00 0.00 O ATOM 1208 CB VAL A 75 5.087 0.760 2.006 1.00 0.00 C ATOM 1209 CG1 VAL A 75 6.133 0.555 3.082 1.00 0.00 C ATOM 1210 CG2 VAL A 75 4.404 -0.561 1.682 1.00 0.00 C ATOM 0 H VAL A 75 5.723 3.020 2.912 1.00 0.00 H new ATOM 0 HA VAL A 75 3.451 2.083 1.541 1.00 0.00 H new ATOM 0 HB VAL A 75 5.586 1.119 1.106 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.839 -0.211 2.762 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.666 1.490 3.254 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.648 0.239 4.005 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.155 -1.299 1.399 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.861 -0.914 2.558 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.707 -0.417 0.856 1.00 0.00 H new ATOM 1220 N ARG A 76 3.551 1.385 4.763 1.00 0.00 N ATOM 1221 CA ARG A 76 2.734 0.864 5.855 1.00 0.00 C ATOM 1222 C ARG A 76 1.535 1.781 6.103 1.00 0.00 C ATOM 1223 O ARG A 76 0.480 1.327 6.550 1.00 0.00 O ATOM 1224 CB ARG A 76 3.560 0.676 7.139 1.00 0.00 C ATOM 1225 CG ARG A 76 3.466 1.836 8.119 1.00 0.00 C ATOM 1226 CD ARG A 76 4.326 1.622 9.361 1.00 0.00 C ATOM 1227 NE ARG A 76 4.274 2.777 10.252 1.00 0.00 N ATOM 1228 CZ ARG A 76 4.884 2.842 11.435 1.00 0.00 C ATOM 1229 NH1 ARG A 76 5.589 1.813 11.891 1.00 0.00 N ATOM 1230 NH2 ARG A 76 4.783 3.941 12.165 1.00 0.00 N ATOM 0 H ARG A 76 4.441 1.793 5.048 1.00 0.00 H new ATOM 0 HA ARG A 76 2.365 -0.119 5.562 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.230 -0.235 7.639 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.605 0.529 6.867 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.775 2.755 7.621 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.427 1.971 8.419 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.984 0.735 9.893 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.358 1.437 9.063 1.00 0.00 H new ATOM 0 HE ARG A 76 3.735 3.588 9.949 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.668 0.962 11.334 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.052 1.874 12.798 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.240 4.733 11.822 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.248 3.996 13.071 1.00 0.00 H new ATOM 1244 N LEU A 77 1.703 3.071 5.799 1.00 0.00 N ATOM 1245 CA LEU A 77 0.604 4.026 5.871 1.00 0.00 C ATOM 1246 C LEU A 77 -0.484 3.647 4.877 1.00 0.00 C ATOM 1247 O LEU A 77 -1.670 3.734 5.180 1.00 0.00 O ATOM 1248 CB LEU A 77 1.111 5.438 5.578 1.00 0.00 C ATOM 1249 CG LEU A 77 0.875 6.460 6.688 1.00 0.00 C ATOM 1250 CD1 LEU A 77 1.359 7.824 6.250 1.00 0.00 C ATOM 1251 CD2 LEU A 77 -0.595 6.504 7.072 1.00 0.00 C ATOM 0 H LEU A 77 2.591 3.474 5.501 1.00 0.00 H new ATOM 0 HA LEU A 77 0.187 4.004 6.878 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.181 5.387 5.375 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.631 5.797 4.668 1.00 0.00 H new ATOM 0 HG LEU A 77 1.443 6.158 7.568 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.186 8.545 7.049 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.425 7.778 6.028 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.815 8.134 5.358 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.742 7.238 7.864 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.190 6.784 6.203 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.908 5.522 7.425 1.00 0.00 H new ATOM 1263 N MET A 78 -0.069 3.208 3.697 1.00 0.00 N ATOM 1264 CA MET A 78 -1.005 2.780 2.666 1.00 0.00 C ATOM 1265 C MET A 78 -1.858 1.608 3.156 1.00 0.00 C ATOM 1266 O MET A 78 -3.082 1.626 3.016 1.00 0.00 O ATOM 1267 CB MET A 78 -0.246 2.419 1.386 1.00 0.00 C ATOM 1268 CG MET A 78 -1.088 1.694 0.348 1.00 0.00 C ATOM 1269 SD MET A 78 -0.875 -0.092 0.429 1.00 0.00 S ATOM 1270 CE MET A 78 0.810 -0.265 -0.162 1.00 0.00 C ATOM 0 H MET A 78 0.913 3.139 3.429 1.00 0.00 H new ATOM 0 HA MET A 78 -1.682 3.605 2.442 1.00 0.00 H new ATOM 0 HB2 MET A 78 0.151 3.332 0.942 1.00 0.00 H new ATOM 0 HB3 MET A 78 0.608 1.794 1.647 1.00 0.00 H new ATOM 0 HG2 MET A 78 -2.139 1.940 0.498 1.00 0.00 H new ATOM 0 HG3 MET A 78 -0.817 2.046 -0.647 1.00 0.00 H new ATOM 0 HE1 MET A 78 0.879 -1.135 -0.814 1.00 0.00 H new ATOM 0 HE2 MET A 78 1.094 0.629 -0.718 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.482 -0.393 0.687 1.00 0.00 H new ATOM 1280 N PHE A 79 -1.214 0.602 3.742 1.00 0.00 N ATOM 1281 CA PHE A 79 -1.943 -0.530 4.326 1.00 0.00 C ATOM 1282 C PHE A 79 -2.873 -0.054 5.448 1.00 0.00 C ATOM 1283 O PHE A 79 -3.999 -0.541 5.589 1.00 0.00 O ATOM 1284 CB PHE A 79 -0.978 -1.594 4.866 1.00 0.00 C ATOM 1285 CG PHE A 79 -0.104 -2.229 3.817 1.00 0.00 C ATOM 1286 CD1 PHE A 79 -0.655 -2.792 2.676 1.00 0.00 C ATOM 1287 CD2 PHE A 79 1.270 -2.271 3.981 1.00 0.00 C ATOM 1288 CE1 PHE A 79 0.151 -3.377 1.716 1.00 0.00 C ATOM 1289 CE2 PHE A 79 2.081 -2.856 3.028 1.00 0.00 C ATOM 1290 CZ PHE A 79 1.526 -3.409 1.893 1.00 0.00 C ATOM 0 H PHE A 79 -0.199 0.543 3.827 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.542 -0.979 3.534 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.342 -1.139 5.625 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -1.556 -2.374 5.361 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.726 -2.774 2.535 1.00 0.00 H new ATOM 0 HD2 PHE A 79 1.714 -1.840 4.866 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -0.290 -3.808 0.830 1.00 0.00 H new ATOM 0 HE2 PHE A 79 3.151 -2.880 3.172 1.00 0.00 H new ATOM 0 HZ PHE A 79 2.159 -3.865 1.146 1.00 0.00 H new ATOM 1300 N SER A 80 -2.395 0.910 6.233 1.00 0.00 N ATOM 1301 CA SER A 80 -3.180 1.489 7.318 1.00 0.00 C ATOM 1302 C SER A 80 -4.458 2.123 6.767 1.00 0.00 C ATOM 1303 O SER A 80 -5.542 1.959 7.329 1.00 0.00 O ATOM 1304 CB SER A 80 -2.343 2.535 8.069 1.00 0.00 C ATOM 1305 OG SER A 80 -3.008 2.998 9.232 1.00 0.00 O ATOM 0 H SER A 80 -1.461 1.308 6.135 1.00 0.00 H new ATOM 0 HA SER A 80 -3.460 0.698 8.014 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.382 2.102 8.347 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.134 3.377 7.409 1.00 0.00 H new ATOM 0 HG SER A 80 -2.448 3.661 9.687 1.00 0.00 H new ATOM 1311 N ASN A 81 -4.316 2.827 5.647 1.00 0.00 N ATOM 1312 CA ASN A 81 -5.446 3.474 4.987 1.00 0.00 C ATOM 1313 C ASN A 81 -6.508 2.456 4.603 1.00 0.00 C ATOM 1314 O ASN A 81 -7.706 2.706 4.743 1.00 0.00 O ATOM 1315 CB ASN A 81 -4.992 4.206 3.726 1.00 0.00 C ATOM 1316 CG ASN A 81 -4.014 5.322 4.000 1.00 0.00 C ATOM 1317 OD1 ASN A 81 -4.081 5.995 5.029 1.00 0.00 O ATOM 1318 ND2 ASN A 81 -3.094 5.520 3.076 1.00 0.00 N ATOM 0 H ASN A 81 -3.422 2.964 5.175 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.867 4.189 5.694 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -4.533 3.490 3.045 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.865 4.615 3.218 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.399 6.256 3.198 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -3.078 4.937 2.239 1.00 0.00 H new ATOM 1325 N CYS A 82 -6.056 1.306 4.121 1.00 0.00 N ATOM 1326 CA CYS A 82 -6.955 0.248 3.683 1.00 0.00 C ATOM 1327 C CYS A 82 -7.842 -0.219 4.833 1.00 0.00 C ATOM 1328 O CYS A 82 -9.041 -0.444 4.646 1.00 0.00 O ATOM 1329 CB CYS A 82 -6.155 -0.933 3.125 1.00 0.00 C ATOM 1330 SG CYS A 82 -4.974 -0.477 1.834 1.00 0.00 S ATOM 0 H CYS A 82 -5.066 1.082 4.023 1.00 0.00 H new ATOM 0 HA CYS A 82 -7.593 0.648 2.895 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -5.617 -1.413 3.943 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -6.849 -1.672 2.724 1.00 0.00 H new ATOM 0 HG CYS A 82 -4.087 0.337 2.325 1.00 0.00 H new ATOM 1336 N TYR A 83 -7.261 -0.346 6.023 1.00 0.00 N ATOM 1337 CA TYR A 83 -8.031 -0.771 7.187 1.00 0.00 C ATOM 1338 C TYR A 83 -8.974 0.334 7.657 1.00 0.00 C ATOM 1339 O TYR A 83 -9.995 0.055 8.289 1.00 0.00 O ATOM 1340 CB TYR A 83 -7.120 -1.181 8.348 1.00 0.00 C ATOM 1341 CG TYR A 83 -6.196 -2.348 8.049 1.00 0.00 C ATOM 1342 CD1 TYR A 83 -6.660 -3.470 7.370 1.00 0.00 C ATOM 1343 CD2 TYR A 83 -4.864 -2.340 8.466 1.00 0.00 C ATOM 1344 CE1 TYR A 83 -5.831 -4.546 7.116 1.00 0.00 C ATOM 1345 CE2 TYR A 83 -4.032 -3.412 8.211 1.00 0.00 C ATOM 1346 CZ TYR A 83 -4.520 -4.509 7.538 1.00 0.00 C ATOM 1347 OH TYR A 83 -3.694 -5.577 7.287 1.00 0.00 O ATOM 0 H TYR A 83 -6.274 -0.164 6.205 1.00 0.00 H new ATOM 0 HA TYR A 83 -8.616 -1.637 6.877 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -6.515 -0.322 8.638 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -7.741 -1.438 9.206 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.686 -3.501 7.035 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -4.478 -1.482 8.996 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -6.208 -5.410 6.590 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -3.003 -3.390 8.538 1.00 0.00 H new ATOM 0 HH TYR A 83 -2.802 -5.393 7.648 1.00 0.00 H new ATOM 1357 N LYS A 84 -8.638 1.583 7.345 1.00 0.00 N ATOM 1358 CA LYS A 84 -9.492 2.714 7.702 1.00 0.00 C ATOM 1359 C LYS A 84 -10.786 2.678 6.912 1.00 0.00 C ATOM 1360 O LYS A 84 -11.878 2.788 7.471 1.00 0.00 O ATOM 1361 CB LYS A 84 -8.805 4.057 7.426 1.00 0.00 C ATOM 1362 CG LYS A 84 -7.638 4.373 8.345 1.00 0.00 C ATOM 1363 CD LYS A 84 -6.990 5.700 7.970 1.00 0.00 C ATOM 1364 CE LYS A 84 -8.003 6.840 7.913 1.00 0.00 C ATOM 1365 NZ LYS A 84 -8.668 7.069 9.224 1.00 0.00 N ATOM 0 H LYS A 84 -7.784 1.838 6.848 1.00 0.00 H new ATOM 0 HA LYS A 84 -9.694 2.626 8.769 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -8.450 4.063 6.395 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.545 4.853 7.513 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.984 4.413 9.378 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.899 3.574 8.287 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -6.214 5.942 8.696 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.500 5.602 7.001 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -7.500 7.755 7.598 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -8.758 6.615 7.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -9.322 7.874 9.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -9.198 6.217 9.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.949 7.276 9.946 1.00 0.00 H new ATOM 1379 N TYR A 85 -10.646 2.516 5.608 1.00 0.00 N ATOM 1380 CA TYR A 85 -11.770 2.639 4.703 1.00 0.00 C ATOM 1381 C TYR A 85 -12.657 1.404 4.734 1.00 0.00 C ATOM 1382 O TYR A 85 -13.878 1.491 4.874 1.00 0.00 O ATOM 1383 CB TYR A 85 -11.268 2.857 3.276 1.00 0.00 C ATOM 1384 CG TYR A 85 -12.390 3.127 2.295 1.00 0.00 C ATOM 1385 CD1 TYR A 85 -13.045 4.339 2.346 1.00 0.00 C ATOM 1386 CD2 TYR A 85 -12.806 2.192 1.345 1.00 0.00 C ATOM 1387 CE1 TYR A 85 -14.083 4.635 1.491 1.00 0.00 C ATOM 1388 CE2 TYR A 85 -13.845 2.481 0.478 1.00 0.00 C ATOM 1389 CZ TYR A 85 -14.481 3.705 0.559 1.00 0.00 C ATOM 1390 OH TYR A 85 -15.515 4.003 -0.292 1.00 0.00 O ATOM 0 H TYR A 85 -9.760 2.298 5.153 1.00 0.00 H new ATOM 0 HA TYR A 85 -12.361 3.494 5.030 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -10.572 3.696 3.265 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -10.712 1.977 2.953 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -12.736 5.074 3.074 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -12.312 1.234 1.286 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -14.581 5.591 1.552 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -14.157 1.754 -0.258 1.00 0.00 H new ATOM 0 HH TYR A 85 -15.690 4.967 -0.270 1.00 0.00 H new ATOM 1400 N ASN A 86 -12.024 0.253 4.622 1.00 0.00 N ATOM 1401 CA ASN A 86 -12.732 -0.981 4.337 1.00 0.00 C ATOM 1402 C ASN A 86 -13.038 -1.766 5.610 1.00 0.00 C ATOM 1403 O ASN A 86 -12.223 -1.807 6.533 1.00 0.00 O ATOM 1404 CB ASN A 86 -11.891 -1.830 3.384 1.00 0.00 C ATOM 1405 CG ASN A 86 -11.478 -1.073 2.134 1.00 0.00 C ATOM 1406 OD1 ASN A 86 -12.189 -1.076 1.133 1.00 0.00 O ATOM 1407 ND2 ASN A 86 -10.319 -0.437 2.182 1.00 0.00 N ATOM 0 H ASN A 86 -11.015 0.146 4.725 1.00 0.00 H new ATOM 0 HA ASN A 86 -13.686 -0.731 3.873 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -10.999 -2.177 3.905 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -12.458 -2.716 3.097 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -9.985 0.077 1.367 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -9.759 -0.460 3.034 1.00 0.00 H new ATOM 1414 N PRO A 87 -14.232 -2.386 5.678 1.00 0.00 N ATOM 1415 CA PRO A 87 -14.616 -3.234 6.808 1.00 0.00 C ATOM 1416 C PRO A 87 -13.865 -4.575 6.808 1.00 0.00 C ATOM 1417 O PRO A 87 -13.434 -5.050 5.757 1.00 0.00 O ATOM 1418 CB PRO A 87 -16.124 -3.459 6.631 1.00 0.00 C ATOM 1419 CG PRO A 87 -16.535 -2.787 5.357 1.00 0.00 C ATOM 1420 CD PRO A 87 -15.294 -2.293 4.664 1.00 0.00 C ATOM 0 HA PRO A 87 -14.368 -2.763 7.759 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -16.350 -4.525 6.592 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -16.675 -3.047 7.476 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -17.076 -3.484 4.717 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -17.210 -1.957 5.566 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -15.061 -2.902 3.790 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -15.418 -1.268 4.315 1.00 0.00 H new ATOM 1428 N PRO A 88 -13.713 -5.189 8.007 1.00 0.00 N ATOM 1429 CA PRO A 88 -12.890 -6.398 8.254 1.00 0.00 C ATOM 1430 C PRO A 88 -13.073 -7.559 7.268 1.00 0.00 C ATOM 1431 O PRO A 88 -12.180 -8.394 7.136 1.00 0.00 O ATOM 1432 CB PRO A 88 -13.326 -6.856 9.656 1.00 0.00 C ATOM 1433 CG PRO A 88 -14.501 -6.008 10.014 1.00 0.00 C ATOM 1434 CD PRO A 88 -14.320 -4.729 9.262 1.00 0.00 C ATOM 0 HA PRO A 88 -11.838 -6.135 8.142 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -13.592 -7.913 9.657 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -12.519 -6.730 10.377 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -15.435 -6.496 9.737 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -14.542 -5.828 11.088 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -15.268 -4.219 9.092 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -13.674 -4.032 9.795 1.00 0.00 H new ATOM 1442 N ASP A 89 -14.216 -7.640 6.604 1.00 0.00 N ATOM 1443 CA ASP A 89 -14.448 -8.747 5.653 1.00 0.00 C ATOM 1444 C ASP A 89 -13.889 -8.399 4.271 1.00 0.00 C ATOM 1445 O ASP A 89 -12.964 -9.057 3.802 1.00 0.00 O ATOM 1446 CB ASP A 89 -15.938 -9.122 5.544 1.00 0.00 C ATOM 1447 CG ASP A 89 -16.156 -10.370 4.709 1.00 0.00 C ATOM 1448 OD1 ASP A 89 -16.419 -10.248 3.495 1.00 0.00 O ATOM 1449 OD2 ASP A 89 -16.077 -11.485 5.268 1.00 0.00 O ATOM 0 H ASP A 89 -14.987 -6.978 6.693 1.00 0.00 H new ATOM 0 HA ASP A 89 -13.920 -9.616 6.044 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -16.345 -9.280 6.543 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -16.489 -8.291 5.103 1.00 0.00 H new ATOM 1454 N HIS A 90 -14.534 -7.418 3.623 1.00 0.00 N ATOM 1455 CA HIS A 90 -14.054 -6.735 2.385 1.00 0.00 C ATOM 1456 C HIS A 90 -12.622 -7.132 1.965 1.00 0.00 C ATOM 1457 O HIS A 90 -11.676 -7.002 2.738 1.00 0.00 O ATOM 1458 CB HIS A 90 -14.049 -5.203 2.610 1.00 0.00 C ATOM 1459 CG HIS A 90 -14.629 -4.311 1.532 1.00 0.00 C ATOM 1460 ND1 HIS A 90 -14.004 -3.139 1.183 1.00 0.00 N ATOM 1461 CD2 HIS A 90 -15.798 -4.317 0.813 1.00 0.00 C ATOM 1462 CE1 HIS A 90 -14.743 -2.477 0.328 1.00 0.00 C ATOM 1463 NE2 HIS A 90 -15.826 -3.166 0.076 1.00 0.00 N ATOM 0 H HIS A 90 -15.432 -7.058 3.945 1.00 0.00 H new ATOM 0 HA HIS A 90 -14.739 -7.044 1.595 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -14.592 -5.002 3.534 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -13.016 -4.896 2.774 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -16.555 -5.087 0.827 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -14.498 -1.516 -0.100 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -16.570 -2.890 -0.565 1.00 0.00 H new ATOM 1472 N ASP A 91 -12.470 -7.518 0.696 1.00 0.00 N ATOM 1473 CA ASP A 91 -11.224 -8.092 0.173 1.00 0.00 C ATOM 1474 C ASP A 91 -9.994 -7.214 0.390 1.00 0.00 C ATOM 1475 O ASP A 91 -8.894 -7.735 0.563 1.00 0.00 O ATOM 1476 CB ASP A 91 -11.361 -8.370 -1.324 1.00 0.00 C ATOM 1477 CG ASP A 91 -12.352 -9.470 -1.627 1.00 0.00 C ATOM 1478 OD1 ASP A 91 -11.918 -10.595 -1.955 1.00 0.00 O ATOM 1479 OD2 ASP A 91 -13.570 -9.218 -1.530 1.00 0.00 O ATOM 0 H ASP A 91 -13.210 -7.442 -0.002 1.00 0.00 H new ATOM 0 HA ASP A 91 -11.068 -9.012 0.737 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -11.672 -7.457 -1.831 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -10.387 -8.643 -1.729 1.00 0.00 H new ATOM 1484 N VAL A 92 -10.158 -5.894 0.376 1.00 0.00 N ATOM 1485 CA VAL A 92 -8.998 -5.002 0.409 1.00 0.00 C ATOM 1486 C VAL A 92 -8.322 -4.995 1.777 1.00 0.00 C ATOM 1487 O VAL A 92 -7.163 -4.611 1.889 1.00 0.00 O ATOM 1488 CB VAL A 92 -9.318 -3.552 -0.029 1.00 0.00 C ATOM 1489 CG1 VAL A 92 -8.358 -3.102 -1.115 1.00 0.00 C ATOM 1490 CG2 VAL A 92 -10.744 -3.423 -0.520 1.00 0.00 C ATOM 0 H VAL A 92 -11.062 -5.424 0.343 1.00 0.00 H new ATOM 0 HA VAL A 92 -8.307 -5.414 -0.326 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.199 -2.911 0.845 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.597 -2.081 -1.411 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.337 -3.140 -0.736 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.450 -3.761 -1.978 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -10.934 -2.392 -0.819 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -10.896 -4.083 -1.374 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -11.431 -3.701 0.280 1.00 0.00 H new ATOM 1500 N VAL A 93 -9.022 -5.449 2.814 1.00 0.00 N ATOM 1501 CA VAL A 93 -8.398 -5.560 4.128 1.00 0.00 C ATOM 1502 C VAL A 93 -7.622 -6.867 4.219 1.00 0.00 C ATOM 1503 O VAL A 93 -6.575 -6.942 4.858 1.00 0.00 O ATOM 1504 CB VAL A 93 -9.416 -5.487 5.294 1.00 0.00 C ATOM 1505 CG1 VAL A 93 -10.270 -4.240 5.189 1.00 0.00 C ATOM 1506 CG2 VAL A 93 -10.297 -6.723 5.346 1.00 0.00 C ATOM 0 H VAL A 93 -9.999 -5.740 2.773 1.00 0.00 H new ATOM 0 HA VAL A 93 -7.729 -4.705 4.231 1.00 0.00 H new ATOM 0 HB VAL A 93 -8.843 -5.442 6.220 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -10.976 -4.212 6.019 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -9.631 -3.357 5.226 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -10.818 -4.252 4.247 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -10.998 -6.636 6.176 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -10.851 -6.815 4.412 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -9.675 -7.607 5.488 1.00 0.00 H new ATOM 1516 N ALA A 94 -8.143 -7.890 3.553 1.00 0.00 N ATOM 1517 CA ALA A 94 -7.500 -9.193 3.513 1.00 0.00 C ATOM 1518 C ALA A 94 -6.243 -9.137 2.660 1.00 0.00 C ATOM 1519 O ALA A 94 -5.208 -9.699 3.021 1.00 0.00 O ATOM 1520 CB ALA A 94 -8.462 -10.241 2.976 1.00 0.00 C ATOM 0 H ALA A 94 -9.017 -7.839 3.030 1.00 0.00 H new ATOM 0 HA ALA A 94 -7.216 -9.472 4.528 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.966 -11.212 2.952 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -9.338 -10.297 3.623 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.773 -9.967 1.968 1.00 0.00 H new ATOM 1526 N MET A 95 -6.335 -8.441 1.533 1.00 0.00 N ATOM 1527 CA MET A 95 -5.191 -8.276 0.648 1.00 0.00 C ATOM 1528 C MET A 95 -4.129 -7.407 1.315 1.00 0.00 C ATOM 1529 O MET A 95 -2.934 -7.659 1.165 1.00 0.00 O ATOM 1530 CB MET A 95 -5.619 -7.685 -0.705 1.00 0.00 C ATOM 1531 CG MET A 95 -6.496 -8.624 -1.537 1.00 0.00 C ATOM 1532 SD MET A 95 -6.833 -7.997 -3.198 1.00 0.00 S ATOM 1533 CE MET A 95 -8.335 -7.048 -2.949 1.00 0.00 C ATOM 0 H MET A 95 -7.188 -7.983 1.212 1.00 0.00 H new ATOM 0 HA MET A 95 -4.761 -9.259 0.455 1.00 0.00 H new ATOM 0 HB2 MET A 95 -6.161 -6.756 -0.530 1.00 0.00 H new ATOM 0 HB3 MET A 95 -4.728 -7.431 -1.279 1.00 0.00 H new ATOM 0 HG2 MET A 95 -6.006 -9.595 -1.614 1.00 0.00 H new ATOM 0 HG3 MET A 95 -7.441 -8.784 -1.017 1.00 0.00 H new ATOM 0 HE1 MET A 95 -9.168 -7.548 -3.444 1.00 0.00 H new ATOM 0 HE2 MET A 95 -8.542 -6.968 -1.882 1.00 0.00 H new ATOM 0 HE3 MET A 95 -8.209 -6.050 -3.370 1.00 0.00 H new ATOM 1543 N ALA A 96 -4.570 -6.413 2.090 1.00 0.00 N ATOM 1544 CA ALA A 96 -3.644 -5.557 2.832 1.00 0.00 C ATOM 1545 C ALA A 96 -2.961 -6.355 3.933 1.00 0.00 C ATOM 1546 O ALA A 96 -1.790 -6.145 4.239 1.00 0.00 O ATOM 1547 CB ALA A 96 -4.373 -4.365 3.431 1.00 0.00 C ATOM 0 H ALA A 96 -5.555 -6.183 2.219 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.889 -5.187 2.138 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.665 -3.743 3.978 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.830 -3.779 2.633 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.148 -4.717 4.112 1.00 0.00 H new ATOM 1553 N ARG A 97 -3.712 -7.284 4.511 1.00 0.00 N ATOM 1554 CA ARG A 97 -3.227 -8.109 5.611 1.00 0.00 C ATOM 1555 C ARG A 97 -2.183 -9.110 5.125 1.00 0.00 C ATOM 1556 O ARG A 97 -1.159 -9.324 5.773 1.00 0.00 O ATOM 1557 CB ARG A 97 -4.402 -8.853 6.249 1.00 0.00 C ATOM 1558 CG ARG A 97 -4.081 -9.489 7.590 1.00 0.00 C ATOM 1559 CD ARG A 97 -5.235 -10.347 8.083 1.00 0.00 C ATOM 1560 NE ARG A 97 -6.492 -9.598 8.153 1.00 0.00 N ATOM 1561 CZ ARG A 97 -7.674 -10.153 8.420 1.00 0.00 C ATOM 1562 NH1 ARG A 97 -7.756 -11.456 8.665 1.00 0.00 N ATOM 1563 NH2 ARG A 97 -8.772 -9.404 8.458 1.00 0.00 N ATOM 0 H ARG A 97 -4.672 -7.487 4.232 1.00 0.00 H new ATOM 0 HA ARG A 97 -2.758 -7.460 6.350 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -5.231 -8.157 6.379 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -4.742 -9.629 5.563 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -3.183 -10.100 7.500 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -3.865 -8.711 8.322 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -5.360 -11.201 7.418 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -4.995 -10.743 9.070 1.00 0.00 H new ATOM 0 HE ARG A 97 -6.461 -8.592 7.988 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -6.914 -12.032 8.649 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -8.661 -11.881 8.869 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -8.712 -8.401 8.282 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -9.675 -9.832 8.663 1.00 0.00 H new ATOM 1577 N LYS A 98 -2.448 -9.717 3.979 1.00 0.00 N ATOM 1578 CA LYS A 98 -1.551 -10.718 3.421 1.00 0.00 C ATOM 1579 C LYS A 98 -0.287 -10.055 2.862 1.00 0.00 C ATOM 1580 O LYS A 98 0.830 -10.547 3.056 1.00 0.00 O ATOM 1581 CB LYS A 98 -2.280 -11.519 2.339 1.00 0.00 C ATOM 1582 CG LYS A 98 -1.500 -12.719 1.829 1.00 0.00 C ATOM 1583 CD LYS A 98 -2.237 -13.422 0.702 1.00 0.00 C ATOM 1584 CE LYS A 98 -1.488 -14.653 0.231 1.00 0.00 C ATOM 1585 NZ LYS A 98 -1.312 -15.654 1.316 1.00 0.00 N ATOM 0 H LYS A 98 -3.278 -9.534 3.416 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.243 -11.403 4.211 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.235 -11.862 2.736 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.502 -10.859 1.500 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.520 -12.395 1.478 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.331 -13.419 2.647 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.233 -13.708 1.040 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.369 -12.734 -0.133 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.029 -15.110 -0.598 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -0.511 -14.358 -0.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.031 -16.567 0.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.574 -15.328 1.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -2.208 -15.768 1.832 1.00 0.00 H new ATOM 1599 N LEU A 99 -0.467 -8.938 2.169 1.00 0.00 N ATOM 1600 CA LEU A 99 0.661 -8.131 1.717 1.00 0.00 C ATOM 1601 C LEU A 99 1.428 -7.537 2.899 1.00 0.00 C ATOM 1602 O LEU A 99 2.625 -7.263 2.791 1.00 0.00 O ATOM 1603 CB LEU A 99 0.212 -7.005 0.785 1.00 0.00 C ATOM 1604 CG LEU A 99 0.283 -7.275 -0.729 1.00 0.00 C ATOM 1605 CD1 LEU A 99 0.829 -6.052 -1.427 1.00 0.00 C ATOM 1606 CD2 LEU A 99 1.166 -8.463 -1.067 1.00 0.00 C ATOM 0 H LEU A 99 -1.382 -8.570 1.908 1.00 0.00 H new ATOM 0 HA LEU A 99 1.321 -8.799 1.164 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.818 -6.750 1.035 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.819 -6.126 1.000 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.728 -7.504 -1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.881 -6.238 -2.500 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.173 -5.202 -1.238 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.827 -5.832 -1.048 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.181 -8.609 -2.147 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.179 -8.276 -0.712 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.772 -9.358 -0.585 1.00 0.00 H new ATOM 1618 N GLN A 100 0.745 -7.321 4.018 1.00 0.00 N ATOM 1619 CA GLN A 100 1.418 -6.905 5.241 1.00 0.00 C ATOM 1620 C GLN A 100 2.424 -7.969 5.643 1.00 0.00 C ATOM 1621 O GLN A 100 3.567 -7.667 5.972 1.00 0.00 O ATOM 1622 CB GLN A 100 0.416 -6.693 6.383 1.00 0.00 C ATOM 1623 CG GLN A 100 1.068 -6.266 7.692 1.00 0.00 C ATOM 1624 CD GLN A 100 1.614 -4.851 7.649 1.00 0.00 C ATOM 1625 OE1 GLN A 100 2.597 -4.535 8.318 1.00 0.00 O ATOM 1626 NE2 GLN A 100 0.975 -3.986 6.879 1.00 0.00 N ATOM 0 H GLN A 100 -0.266 -7.426 4.103 1.00 0.00 H new ATOM 0 HA GLN A 100 1.923 -5.958 5.052 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.309 -5.936 6.084 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.137 -7.618 6.547 1.00 0.00 H new ATOM 0 HG2 GLN A 100 0.338 -6.343 8.497 1.00 0.00 H new ATOM 0 HG3 GLN A 100 1.878 -6.955 7.929 1.00 0.00 H new ATOM 0 HE21 GLN A 100 0.163 -4.286 6.339 1.00 0.00 H new ATOM 0 HE22 GLN A 100 1.294 -3.019 6.825 1.00 0.00 H new ATOM 1635 N ASP A 101 1.980 -9.219 5.584 1.00 0.00 N ATOM 1636 CA ASP A 101 2.815 -10.363 5.925 1.00 0.00 C ATOM 1637 C ASP A 101 4.130 -10.342 5.152 1.00 0.00 C ATOM 1638 O ASP A 101 5.203 -10.412 5.750 1.00 0.00 O ATOM 1639 CB ASP A 101 2.060 -11.665 5.649 1.00 0.00 C ATOM 1640 CG ASP A 101 2.934 -12.893 5.786 1.00 0.00 C ATOM 1641 OD1 ASP A 101 3.433 -13.387 4.752 1.00 0.00 O ATOM 1642 OD2 ASP A 101 3.116 -13.380 6.922 1.00 0.00 O ATOM 0 H ASP A 101 1.033 -9.467 5.299 1.00 0.00 H new ATOM 0 HA ASP A 101 3.051 -10.303 6.987 1.00 0.00 H new ATOM 0 HB2 ASP A 101 1.219 -11.745 6.338 1.00 0.00 H new ATOM 0 HB3 ASP A 101 1.644 -11.632 4.642 1.00 0.00 H new ATOM 1647 N VAL A 102 4.048 -10.222 3.829 1.00 0.00 N ATOM 1648 CA VAL A 102 5.253 -10.203 3.003 1.00 0.00 C ATOM 1649 C VAL A 102 6.108 -8.965 3.280 1.00 0.00 C ATOM 1650 O VAL A 102 7.270 -9.094 3.650 1.00 0.00 O ATOM 1651 CB VAL A 102 4.942 -10.316 1.488 1.00 0.00 C ATOM 1652 CG1 VAL A 102 3.786 -9.440 1.084 1.00 0.00 C ATOM 1653 CG2 VAL A 102 6.155 -9.969 0.644 1.00 0.00 C ATOM 0 H VAL A 102 3.173 -10.138 3.312 1.00 0.00 H new ATOM 0 HA VAL A 102 5.824 -11.088 3.285 1.00 0.00 H new ATOM 0 HB VAL A 102 4.669 -11.356 1.308 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.602 -9.550 0.015 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.895 -9.735 1.638 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.023 -8.400 1.306 1.00 0.00 H new ATOM 0 HG21 VAL A 102 5.901 -10.059 -0.412 1.00 0.00 H new ATOM 0 HG22 VAL A 102 6.466 -8.946 0.857 1.00 0.00 H new ATOM 0 HG23 VAL A 102 6.970 -10.653 0.880 1.00 0.00 H new ATOM 1663 N PHE A 103 5.528 -7.778 3.128 1.00 0.00 N ATOM 1664 CA PHE A 103 6.269 -6.529 3.330 1.00 0.00 C ATOM 1665 C PHE A 103 6.948 -6.485 4.706 1.00 0.00 C ATOM 1666 O PHE A 103 8.110 -6.085 4.821 1.00 0.00 O ATOM 1667 CB PHE A 103 5.351 -5.309 3.123 1.00 0.00 C ATOM 1668 CG PHE A 103 5.784 -4.081 3.895 1.00 0.00 C ATOM 1669 CD1 PHE A 103 7.018 -3.497 3.645 1.00 0.00 C ATOM 1670 CD2 PHE A 103 4.972 -3.520 4.884 1.00 0.00 C ATOM 1671 CE1 PHE A 103 7.439 -2.393 4.359 1.00 0.00 C ATOM 1672 CE2 PHE A 103 5.391 -2.412 5.594 1.00 0.00 C ATOM 1673 CZ PHE A 103 6.625 -1.851 5.334 1.00 0.00 C ATOM 0 H PHE A 103 4.550 -7.651 2.866 1.00 0.00 H new ATOM 0 HA PHE A 103 7.060 -6.491 2.581 1.00 0.00 H new ATOM 0 HB2 PHE A 103 5.319 -5.066 2.061 1.00 0.00 H new ATOM 0 HB3 PHE A 103 4.337 -5.575 3.420 1.00 0.00 H new ATOM 0 HD1 PHE A 103 7.658 -3.912 2.881 1.00 0.00 H new ATOM 0 HD2 PHE A 103 4.007 -3.957 5.095 1.00 0.00 H new ATOM 0 HE1 PHE A 103 8.404 -1.954 4.155 1.00 0.00 H new ATOM 0 HE2 PHE A 103 4.753 -1.984 6.353 1.00 0.00 H new ATOM 0 HZ PHE A 103 6.954 -0.988 5.893 1.00 0.00 H new ATOM 1683 N GLU A 104 6.250 -6.941 5.736 1.00 0.00 N ATOM 1684 CA GLU A 104 6.755 -6.876 7.084 1.00 0.00 C ATOM 1685 C GLU A 104 7.854 -7.920 7.276 1.00 0.00 C ATOM 1686 O GLU A 104 8.808 -7.711 8.029 1.00 0.00 O ATOM 1687 CB GLU A 104 5.580 -7.082 8.045 1.00 0.00 C ATOM 1688 CG GLU A 104 5.976 -7.461 9.446 1.00 0.00 C ATOM 1689 CD GLU A 104 6.782 -6.388 10.148 1.00 0.00 C ATOM 1690 OE1 GLU A 104 7.738 -6.732 10.874 1.00 0.00 O ATOM 1691 OE2 GLU A 104 6.467 -5.194 9.976 1.00 0.00 O ATOM 0 H GLU A 104 5.325 -7.362 5.654 1.00 0.00 H new ATOM 0 HA GLU A 104 7.204 -5.904 7.290 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.993 -6.164 8.083 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.930 -7.859 7.642 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.078 -7.670 10.027 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.558 -8.382 9.416 1.00 0.00 H new ATOM 1698 N PHE A 105 7.733 -9.028 6.558 1.00 0.00 N ATOM 1699 CA PHE A 105 8.733 -10.083 6.595 1.00 0.00 C ATOM 1700 C PHE A 105 9.972 -9.659 5.811 1.00 0.00 C ATOM 1701 O PHE A 105 11.099 -9.995 6.174 1.00 0.00 O ATOM 1702 CB PHE A 105 8.151 -11.372 6.015 1.00 0.00 C ATOM 1703 CG PHE A 105 8.974 -12.599 6.277 1.00 0.00 C ATOM 1704 CD1 PHE A 105 8.915 -13.234 7.507 1.00 0.00 C ATOM 1705 CD2 PHE A 105 9.789 -13.131 5.291 1.00 0.00 C ATOM 1706 CE1 PHE A 105 9.654 -14.374 7.750 1.00 0.00 C ATOM 1707 CE2 PHE A 105 10.531 -14.270 5.530 1.00 0.00 C ATOM 1708 CZ PHE A 105 10.463 -14.893 6.760 1.00 0.00 C ATOM 0 H PHE A 105 6.945 -9.219 5.939 1.00 0.00 H new ATOM 0 HA PHE A 105 9.022 -10.263 7.630 1.00 0.00 H new ATOM 0 HB2 PHE A 105 7.154 -11.524 6.428 1.00 0.00 H new ATOM 0 HB3 PHE A 105 8.035 -11.251 4.938 1.00 0.00 H new ATOM 0 HD1 PHE A 105 8.283 -12.832 8.285 1.00 0.00 H new ATOM 0 HD2 PHE A 105 9.844 -12.650 4.326 1.00 0.00 H new ATOM 0 HE1 PHE A 105 9.599 -14.859 8.713 1.00 0.00 H new ATOM 0 HE2 PHE A 105 11.165 -14.674 4.755 1.00 0.00 H new ATOM 0 HZ PHE A 105 11.042 -15.785 6.947 1.00 0.00 H new ATOM 1718 N ARG A 106 9.754 -8.901 4.740 1.00 0.00 N ATOM 1719 CA ARG A 106 10.846 -8.421 3.910 1.00 0.00 C ATOM 1720 C ARG A 106 11.664 -7.376 4.653 1.00 0.00 C ATOM 1721 O ARG A 106 12.893 -7.386 4.600 1.00 0.00 O ATOM 1722 CB ARG A 106 10.321 -7.833 2.599 1.00 0.00 C ATOM 1723 CG ARG A 106 9.565 -8.803 1.760 1.00 0.00 C ATOM 1724 CD ARG A 106 10.458 -9.949 1.390 1.00 0.00 C ATOM 1725 NE ARG A 106 11.826 -9.531 1.076 1.00 0.00 N ATOM 1726 CZ ARG A 106 12.885 -10.329 1.195 1.00 0.00 C ATOM 1727 NH1 ARG A 106 12.735 -11.574 1.627 1.00 0.00 N ATOM 1728 NH2 ARG A 106 14.093 -9.884 0.876 1.00 0.00 N ATOM 0 H ARG A 106 8.828 -8.607 4.429 1.00 0.00 H new ATOM 0 HA ARG A 106 11.486 -9.272 3.677 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.676 -6.984 2.826 1.00 0.00 H new ATOM 0 HB3 ARG A 106 11.162 -7.448 2.023 1.00 0.00 H new ATOM 0 HG2 ARG A 106 8.694 -9.168 2.304 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.196 -8.311 0.860 1.00 0.00 H new ATOM 0 HD2 ARG A 106 10.482 -10.664 2.213 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.036 -10.468 0.529 1.00 0.00 H new ATOM 0 HE ARG A 106 11.976 -8.577 0.748 1.00 0.00 H new ATOM 0 HH11 ARG A 106 11.807 -11.922 1.869 1.00 0.00 H new ATOM 0 HH12 ARG A 106 13.548 -12.184 1.717 1.00 0.00 H new ATOM 0 HH21 ARG A 106 14.212 -8.929 0.539 1.00 0.00 H new ATOM 0 HH22 ARG A 106 14.903 -10.497 0.968 1.00 0.00 H new ATOM 1742 N TYR A 107 10.979 -6.473 5.350 1.00 0.00 N ATOM 1743 CA TYR A 107 11.669 -5.459 6.137 1.00 0.00 C ATOM 1744 C TYR A 107 12.337 -6.110 7.351 1.00 0.00 C ATOM 1745 O TYR A 107 13.315 -5.595 7.882 1.00 0.00 O ATOM 1746 CB TYR A 107 10.714 -4.336 6.583 1.00 0.00 C ATOM 1747 CG TYR A 107 11.438 -3.085 7.052 1.00 0.00 C ATOM 1748 CD1 TYR A 107 11.585 -1.986 6.212 1.00 0.00 C ATOM 1749 CD2 TYR A 107 11.995 -3.011 8.323 1.00 0.00 C ATOM 1750 CE1 TYR A 107 12.271 -0.856 6.626 1.00 0.00 C ATOM 1751 CE2 TYR A 107 12.675 -1.885 8.743 1.00 0.00 C ATOM 1752 CZ TYR A 107 12.813 -0.813 7.892 1.00 0.00 C ATOM 1753 OH TYR A 107 13.514 0.302 8.304 1.00 0.00 O ATOM 0 H TYR A 107 9.961 -6.423 5.385 1.00 0.00 H new ATOM 0 HA TYR A 107 12.433 -5.004 5.507 1.00 0.00 H new ATOM 0 HB2 TYR A 107 10.055 -4.077 5.754 1.00 0.00 H new ATOM 0 HB3 TYR A 107 10.081 -4.705 7.390 1.00 0.00 H new ATOM 0 HD1 TYR A 107 11.157 -2.014 5.221 1.00 0.00 H new ATOM 0 HD2 TYR A 107 11.894 -3.850 8.995 1.00 0.00 H new ATOM 0 HE1 TYR A 107 12.380 -0.013 5.960 1.00 0.00 H new ATOM 0 HE2 TYR A 107 13.097 -1.846 9.736 1.00 0.00 H new ATOM 0 HH TYR A 107 14.302 0.023 8.815 1.00 0.00 H new ATOM 1763 N ALA A 108 11.811 -7.255 7.776 1.00 0.00 N ATOM 1764 CA ALA A 108 12.394 -7.990 8.891 1.00 0.00 C ATOM 1765 C ALA A 108 13.763 -8.545 8.522 1.00 0.00 C ATOM 1766 O ALA A 108 14.714 -8.439 9.295 1.00 0.00 O ATOM 1767 CB ALA A 108 11.469 -9.108 9.333 1.00 0.00 C ATOM 0 H ALA A 108 10.985 -7.692 7.366 1.00 0.00 H new ATOM 0 HA ALA A 108 12.523 -7.297 9.722 1.00 0.00 H new ATOM 0 HB1 ALA A 108 11.921 -9.646 10.166 1.00 0.00 H new ATOM 0 HB2 ALA A 108 10.514 -8.687 9.648 1.00 0.00 H new ATOM 0 HB3 ALA A 108 11.307 -9.795 8.503 1.00 0.00 H new ATOM 1773 N LYS A 109 13.856 -9.135 7.334 1.00 0.00 N ATOM 1774 CA LYS A 109 15.130 -9.632 6.828 1.00 0.00 C ATOM 1775 C LYS A 109 16.041 -8.476 6.443 1.00 0.00 C ATOM 1776 O LYS A 109 17.261 -8.622 6.381 1.00 0.00 O ATOM 1777 CB LYS A 109 14.921 -10.560 5.632 1.00 0.00 C ATOM 1778 CG LYS A 109 14.556 -11.985 6.033 1.00 0.00 C ATOM 1779 CD LYS A 109 14.123 -12.847 4.846 1.00 0.00 C ATOM 1780 CE LYS A 109 13.803 -14.267 5.288 1.00 0.00 C ATOM 1781 NZ LYS A 109 14.986 -14.952 5.874 1.00 0.00 N ATOM 0 H LYS A 109 13.066 -9.280 6.705 1.00 0.00 H new ATOM 0 HA LYS A 109 15.606 -10.203 7.625 1.00 0.00 H new ATOM 0 HB2 LYS A 109 14.132 -10.154 4.999 1.00 0.00 H new ATOM 0 HB3 LYS A 109 15.831 -10.580 5.033 1.00 0.00 H new ATOM 0 HG2 LYS A 109 15.413 -12.451 6.520 1.00 0.00 H new ATOM 0 HG3 LYS A 109 13.750 -11.955 6.767 1.00 0.00 H new ATOM 0 HD2 LYS A 109 13.247 -12.404 4.372 1.00 0.00 H new ATOM 0 HD3 LYS A 109 14.915 -12.866 4.098 1.00 0.00 H new ATOM 0 HE2 LYS A 109 12.997 -14.245 6.022 1.00 0.00 H new ATOM 0 HE3 LYS A 109 13.440 -14.839 4.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 14.798 -15.973 5.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 15.815 -14.792 5.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 15.173 -14.571 6.823 1.00 0.00 H new ATOM 1795 N MET A 110 15.436 -7.333 6.173 1.00 0.00 N ATOM 1796 CA MET A 110 16.180 -6.114 5.904 1.00 0.00 C ATOM 1797 C MET A 110 16.798 -5.587 7.194 1.00 0.00 C ATOM 1798 O MET A 110 16.087 -5.321 8.158 1.00 0.00 O ATOM 1799 CB MET A 110 15.256 -5.059 5.275 1.00 0.00 C ATOM 1800 CG MET A 110 15.859 -3.665 5.177 1.00 0.00 C ATOM 1801 SD MET A 110 15.603 -2.689 6.671 1.00 0.00 S ATOM 1802 CE MET A 110 16.368 -1.148 6.194 1.00 0.00 C ATOM 0 H MET A 110 14.423 -7.223 6.134 1.00 0.00 H new ATOM 0 HA MET A 110 16.982 -6.333 5.199 1.00 0.00 H new ATOM 0 HB2 MET A 110 14.976 -5.390 4.275 1.00 0.00 H new ATOM 0 HB3 MET A 110 14.339 -5.003 5.861 1.00 0.00 H new ATOM 0 HG2 MET A 110 16.928 -3.749 4.982 1.00 0.00 H new ATOM 0 HG3 MET A 110 15.420 -3.143 4.327 1.00 0.00 H new ATOM 0 HE1 MET A 110 15.934 -0.332 6.772 1.00 0.00 H new ATOM 0 HE2 MET A 110 17.440 -1.199 6.386 1.00 0.00 H new ATOM 0 HE3 MET A 110 16.198 -0.971 5.132 1.00 0.00 H new ATOM 1812 N PRO A 111 18.128 -5.457 7.251 1.00 0.00 N ATOM 1813 CA PRO A 111 18.790 -4.885 8.409 1.00 0.00 C ATOM 1814 C PRO A 111 18.848 -3.366 8.340 1.00 0.00 C ATOM 1815 O PRO A 111 18.970 -2.780 7.260 1.00 0.00 O ATOM 1816 CB PRO A 111 20.188 -5.481 8.346 1.00 0.00 C ATOM 1817 CG PRO A 111 20.441 -5.737 6.895 1.00 0.00 C ATOM 1818 CD PRO A 111 19.094 -5.874 6.219 1.00 0.00 C ATOM 0 HA PRO A 111 18.264 -5.108 9.337 1.00 0.00 H new ATOM 0 HB2 PRO A 111 20.927 -4.795 8.759 1.00 0.00 H new ATOM 0 HB3 PRO A 111 20.249 -6.403 8.925 1.00 0.00 H new ATOM 0 HG2 PRO A 111 21.010 -4.919 6.454 1.00 0.00 H new ATOM 0 HG3 PRO A 111 21.031 -6.644 6.762 1.00 0.00 H new ATOM 0 HD2 PRO A 111 19.027 -5.243 5.333 1.00 0.00 H new ATOM 0 HD3 PRO A 111 18.913 -6.899 5.895 1.00 0.00 H new ATOM 1826 N ASP A 112 18.754 -2.740 9.497 1.00 0.00 N ATOM 1827 CA ASP A 112 18.802 -1.289 9.593 1.00 0.00 C ATOM 1828 C ASP A 112 20.233 -0.840 9.818 1.00 0.00 C ATOM 1829 O ASP A 112 20.767 -1.100 10.916 1.00 0.00 O ATOM 1830 CB ASP A 112 17.913 -0.778 10.734 1.00 0.00 C ATOM 1831 CG ASP A 112 16.432 -0.954 10.463 1.00 0.00 C ATOM 1832 OD1 ASP A 112 15.845 -0.109 9.748 1.00 0.00 O ATOM 1833 OD2 ASP A 112 15.842 -1.923 10.990 1.00 0.00 O ATOM 1834 OXT ASP A 112 20.825 -0.242 8.897 1.00 0.00 O ATOM 0 H ASP A 112 18.643 -3.216 10.392 1.00 0.00 H new ATOM 0 HA ASP A 112 18.427 -0.872 8.658 1.00 0.00 H new ATOM 0 HB2 ASP A 112 18.173 -1.305 11.652 1.00 0.00 H new ATOM 0 HB3 ASP A 112 18.122 0.278 10.903 1.00 0.00 H new TER 1839 ASP A 112 ATOM 1840 N HIS B 281 -26.822 1.915 8.891 1.00 0.00 N ATOM 1841 CA HIS B 281 -25.762 0.893 9.059 1.00 0.00 C ATOM 1842 C HIS B 281 -24.481 1.308 8.331 1.00 0.00 C ATOM 1843 O HIS B 281 -24.156 0.777 7.272 1.00 0.00 O ATOM 1844 CB HIS B 281 -26.248 -0.492 8.578 1.00 0.00 C ATOM 1845 CG HIS B 281 -26.640 -0.581 7.125 1.00 0.00 C ATOM 1846 ND1 HIS B 281 -25.875 -1.231 6.180 1.00 0.00 N ATOM 1847 CD2 HIS B 281 -27.733 -0.128 6.468 1.00 0.00 C ATOM 1848 CE1 HIS B 281 -26.479 -1.173 5.010 1.00 0.00 C ATOM 1849 NE2 HIS B 281 -27.609 -0.508 5.157 1.00 0.00 N ATOM 0 HA HIS B 281 -25.534 0.817 10.122 1.00 0.00 H new ATOM 0 HB2 HIS B 281 -25.458 -1.219 8.767 1.00 0.00 H new ATOM 0 HB3 HIS B 281 -27.104 -0.787 9.185 1.00 0.00 H new ATOM 0 HD2 HIS B 281 -28.552 0.430 6.898 1.00 0.00 H new ATOM 0 HE1 HIS B 281 -26.111 -1.598 4.088 1.00 0.00 H new ATOM 0 HE2 HIS B 281 -28.281 -0.309 4.416 1.00 0.00 H new ATOM 1860 N ASN B 282 -23.760 2.264 8.920 1.00 0.00 N ATOM 1861 CA ASN B 282 -22.501 2.769 8.359 1.00 0.00 C ATOM 1862 C ASN B 282 -22.759 3.519 7.051 1.00 0.00 C ATOM 1863 O ASN B 282 -23.016 2.915 6.011 1.00 0.00 O ATOM 1864 CB ASN B 282 -21.498 1.623 8.138 1.00 0.00 C ATOM 1865 CG ASN B 282 -20.084 2.111 7.873 1.00 0.00 C ATOM 1866 OD1 ASN B 282 -19.873 3.211 7.366 1.00 0.00 O ATOM 1867 ND2 ASN B 282 -19.101 1.290 8.215 1.00 0.00 N ATOM 0 H ASN B 282 -24.030 2.710 9.797 1.00 0.00 H new ATOM 0 HA ASN B 282 -22.065 3.465 9.076 1.00 0.00 H new ATOM 0 HB2 ASN B 282 -21.494 0.977 9.016 1.00 0.00 H new ATOM 0 HB3 ASN B 282 -21.830 1.015 7.296 1.00 0.00 H new ATOM 0 HD21 ASN B 282 -18.131 1.564 8.060 1.00 0.00 H new ATOM 0 HD22 ASN B 282 -19.315 0.385 8.634 1.00 0.00 H new ATOM 1874 N LEU B 283 -22.676 4.843 7.111 1.00 0.00 N ATOM 1875 CA LEU B 283 -22.977 5.688 5.957 1.00 0.00 C ATOM 1876 C LEU B 283 -21.804 5.759 4.983 1.00 0.00 C ATOM 1877 O LEU B 283 -21.876 6.446 3.959 1.00 0.00 O ATOM 1878 CB LEU B 283 -23.353 7.101 6.411 1.00 0.00 C ATOM 1879 CG LEU B 283 -24.667 7.214 7.187 1.00 0.00 C ATOM 1880 CD1 LEU B 283 -24.886 8.644 7.656 1.00 0.00 C ATOM 1881 CD2 LEU B 283 -25.836 6.754 6.328 1.00 0.00 C ATOM 0 H LEU B 283 -22.402 5.358 7.948 1.00 0.00 H new ATOM 0 HA LEU B 283 -23.822 5.235 5.438 1.00 0.00 H new ATOM 0 HB2 LEU B 283 -22.548 7.490 7.035 1.00 0.00 H new ATOM 0 HB3 LEU B 283 -23.414 7.743 5.532 1.00 0.00 H new ATOM 0 HG LEU B 283 -24.606 6.567 8.062 1.00 0.00 H new ATOM 0 HD11 LEU B 283 -25.825 8.707 8.206 1.00 0.00 H new ATOM 0 HD12 LEU B 283 -24.064 8.944 8.306 1.00 0.00 H new ATOM 0 HD13 LEU B 283 -24.926 9.308 6.793 1.00 0.00 H new ATOM 0 HD21 LEU B 283 -26.762 6.841 6.897 1.00 0.00 H new ATOM 0 HD22 LEU B 283 -25.898 7.376 5.435 1.00 0.00 H new ATOM 0 HD23 LEU B 283 -25.686 5.715 6.036 1.00 0.00 H new ATOM 1893 N LEU B 284 -20.724 5.061 5.295 1.00 0.00 N ATOM 1894 CA LEU B 284 -19.563 5.049 4.423 1.00 0.00 C ATOM 1895 C LEU B 284 -19.735 3.991 3.342 1.00 0.00 C ATOM 1896 O LEU B 284 -20.308 2.927 3.584 1.00 0.00 O ATOM 1897 CB LEU B 284 -18.283 4.790 5.222 1.00 0.00 C ATOM 1898 CG LEU B 284 -16.986 4.974 4.432 1.00 0.00 C ATOM 1899 CD1 LEU B 284 -16.957 6.352 3.800 1.00 0.00 C ATOM 1900 CD2 LEU B 284 -15.772 4.780 5.326 1.00 0.00 C ATOM 0 H LEU B 284 -20.628 4.499 6.141 1.00 0.00 H new ATOM 0 HA LEU B 284 -19.476 6.028 3.951 1.00 0.00 H new ATOM 0 HB2 LEU B 284 -18.266 5.460 6.082 1.00 0.00 H new ATOM 0 HB3 LEU B 284 -18.314 3.772 5.611 1.00 0.00 H new ATOM 0 HG LEU B 284 -16.952 4.219 3.646 1.00 0.00 H new ATOM 0 HD11 LEU B 284 -16.031 6.476 3.239 1.00 0.00 H new ATOM 0 HD12 LEU B 284 -17.807 6.461 3.126 1.00 0.00 H new ATOM 0 HD13 LEU B 284 -17.013 7.111 4.580 1.00 0.00 H new ATOM 0 HD21 LEU B 284 -14.863 4.916 4.740 1.00 0.00 H new ATOM 0 HD22 LEU B 284 -15.795 5.510 6.135 1.00 0.00 H new ATOM 0 HD23 LEU B 284 -15.786 3.774 5.745 1.00 0.00 H new ATOM 1912 N ARG B 285 -19.250 4.300 2.150 1.00 0.00 N ATOM 1913 CA ARG B 285 -19.366 3.397 1.017 1.00 0.00 C ATOM 1914 C ARG B 285 -18.300 2.317 1.092 1.00 0.00 C ATOM 1915 O ARG B 285 -17.272 2.490 1.746 1.00 0.00 O ATOM 1916 CB ARG B 285 -19.226 4.158 -0.309 1.00 0.00 C ATOM 1917 CG ARG B 285 -20.397 5.072 -0.647 1.00 0.00 C ATOM 1918 CD ARG B 285 -20.409 6.332 0.205 1.00 0.00 C ATOM 1919 NE ARG B 285 -21.516 7.219 -0.153 1.00 0.00 N ATOM 1920 CZ ARG B 285 -21.482 8.546 -0.033 1.00 0.00 C ATOM 1921 NH1 ARG B 285 -20.401 9.152 0.445 1.00 0.00 N ATOM 1922 NH2 ARG B 285 -22.537 9.269 -0.382 1.00 0.00 N ATOM 0 H ARG B 285 -18.769 5.175 1.942 1.00 0.00 H new ATOM 0 HA ARG B 285 -20.354 2.937 1.056 1.00 0.00 H new ATOM 0 HB2 ARG B 285 -18.315 4.755 -0.275 1.00 0.00 H new ATOM 0 HB3 ARG B 285 -19.103 3.435 -1.115 1.00 0.00 H new ATOM 0 HG2 ARG B 285 -20.347 5.348 -1.700 1.00 0.00 H new ATOM 0 HG3 ARG B 285 -21.332 4.530 -0.504 1.00 0.00 H new ATOM 0 HD2 ARG B 285 -20.488 6.059 1.257 1.00 0.00 H new ATOM 0 HD3 ARG B 285 -19.464 6.862 0.083 1.00 0.00 H new ATOM 0 HE ARG B 285 -22.369 6.795 -0.518 1.00 0.00 H new ATOM 0 HH11 ARG B 285 -19.589 8.601 0.723 1.00 0.00 H new ATOM 0 HH12 ARG B 285 -20.383 10.168 0.534 1.00 0.00 H new ATOM 0 HH21 ARG B 285 -23.374 8.810 -0.742 1.00 0.00 H new ATOM 0 HH22 ARG B 285 -22.512 10.285 -0.291 1.00 0.00 H new ATOM 1936 N ILE B 286 -18.554 1.199 0.439 1.00 0.00 N ATOM 1937 CA ILE B 286 -17.560 0.149 0.343 1.00 0.00 C ATOM 1938 C ILE B 286 -16.975 0.121 -1.066 1.00 0.00 C ATOM 1939 O ILE B 286 -17.711 0.169 -2.053 1.00 0.00 O ATOM 1940 CB ILE B 286 -18.130 -1.243 0.710 1.00 0.00 C ATOM 1941 CG1 ILE B 286 -19.256 -1.663 -0.241 1.00 0.00 C ATOM 1942 CG2 ILE B 286 -18.610 -1.252 2.153 1.00 0.00 C ATOM 1943 CD1 ILE B 286 -19.854 -3.014 0.084 1.00 0.00 C ATOM 0 H ILE B 286 -19.436 0.996 -0.031 1.00 0.00 H new ATOM 0 HA ILE B 286 -16.777 0.374 1.067 1.00 0.00 H new ATOM 0 HB ILE B 286 -17.327 -1.972 0.603 1.00 0.00 H new ATOM 0 HG12 ILE B 286 -20.044 -0.910 -0.212 1.00 0.00 H new ATOM 0 HG13 ILE B 286 -18.871 -1.682 -1.260 1.00 0.00 H new ATOM 0 HG21 ILE B 286 -19.008 -2.237 2.398 1.00 0.00 H new ATOM 0 HG22 ILE B 286 -17.775 -1.023 2.816 1.00 0.00 H new ATOM 0 HG23 ILE B 286 -19.391 -0.503 2.281 1.00 0.00 H new ATOM 0 HD11 ILE B 286 -20.644 -3.244 -0.631 1.00 0.00 H new ATOM 0 HD12 ILE B 286 -19.079 -3.778 0.026 1.00 0.00 H new ATOM 0 HD13 ILE B 286 -20.270 -2.995 1.091 1.00 0.00 H new HETATM 1955 OH ALY B 287 -9.067 1.340 0.374 1.00 0.00 O HETATM 1956 CH ALY B 287 -8.501 0.932 -0.640 1.00 0.00 C HETATM 1957 CH3 ALY B 287 -6.973 0.837 -0.660 1.00 0.00 C HETATM 1958 NZ ALY B 287 -9.173 0.572 -1.721 1.00 0.00 N HETATM 1959 CE ALY B 287 -10.625 0.622 -1.833 1.00 0.00 C HETATM 1960 CD ALY B 287 -11.111 -0.110 -3.074 1.00 0.00 C HETATM 1961 CG ALY B 287 -12.581 0.148 -3.352 1.00 0.00 C HETATM 1962 CB ALY B 287 -13.464 -0.302 -2.202 1.00 0.00 C HETATM 1963 CA ALY B 287 -14.945 -0.014 -2.425 1.00 0.00 C HETATM 1964 N ALY B 287 -15.646 0.092 -1.147 1.00 0.00 N HETATM 1965 C ALY B 287 -15.539 -1.137 -3.256 1.00 0.00 C HETATM 1966 O ALY B 287 -15.691 -2.260 -2.765 1.00 0.00 O HETATM 0 HH33 ALY B 287 -6.545 1.825 -0.492 1.00 0.00 H new HETATM 0 HH32 ALY B 287 -6.640 0.159 0.126 1.00 0.00 H new HETATM 0 HH31 ALY B 287 -6.645 0.459 -1.628 1.00 0.00 H new HETATM 0 HZ ALY B 287 -8.642 0.239 -2.526 1.00 0.00 H new HETATM 0 HG3 ALY B 287 -12.875 -0.375 -4.262 1.00 0.00 H new HETATM 0 HG2 ALY B 287 -12.735 1.212 -3.532 1.00 0.00 H new HETATM 0 HE3 ALY B 287 -10.953 1.661 -1.870 1.00 0.00 H new HETATM 0 HE2 ALY B 287 -11.075 0.176 -0.946 1.00 0.00 H new HETATM 0 HD3 ALY B 287 -10.949 -1.181 -2.949 1.00 0.00 H new HETATM 0 HD2 ALY B 287 -10.520 0.204 -3.934 1.00 0.00 H new HETATM 0 HCA ALY B 287 -15.056 0.935 -2.950 1.00 0.00 H new HETATM 0 HB3 ALY B 287 -13.139 0.195 -1.288 1.00 0.00 H new HETATM 0 HB2 ALY B 287 -13.329 -1.373 -2.048 1.00 0.00 H new HETATM 0 H ALY B 287 -15.133 -0.025 -0.273 1.00 0.00 H new ATOM 1981 N GLN B 288 -15.872 -0.843 -4.504 1.00 0.00 N ATOM 1982 CA GLN B 288 -16.472 -1.836 -5.376 1.00 0.00 C ATOM 1983 C GLN B 288 -15.405 -2.783 -5.926 1.00 0.00 C ATOM 1984 O GLN B 288 -15.120 -2.815 -7.124 1.00 0.00 O ATOM 1985 CB GLN B 288 -17.251 -1.164 -6.512 1.00 0.00 C ATOM 1986 CG GLN B 288 -18.053 -2.145 -7.354 1.00 0.00 C ATOM 1987 CD GLN B 288 -18.966 -3.017 -6.518 1.00 0.00 C ATOM 1988 OE1 GLN B 288 -18.568 -4.087 -6.059 1.00 0.00 O ATOM 1989 NE2 GLN B 288 -20.195 -2.570 -6.317 1.00 0.00 N ATOM 0 H GLN B 288 -15.737 0.073 -4.933 1.00 0.00 H new ATOM 0 HA GLN B 288 -17.178 -2.425 -4.791 1.00 0.00 H new ATOM 0 HB2 GLN B 288 -17.927 -0.421 -6.090 1.00 0.00 H new ATOM 0 HB3 GLN B 288 -16.552 -0.630 -7.156 1.00 0.00 H new ATOM 0 HG2 GLN B 288 -18.649 -1.592 -8.080 1.00 0.00 H new ATOM 0 HG3 GLN B 288 -17.369 -2.778 -7.919 1.00 0.00 H new ATOM 0 HE21 GLN B 288 -20.484 -1.677 -6.716 1.00 0.00 H new ATOM 0 HE22 GLN B 288 -20.853 -3.118 -5.763 1.00 0.00 H new ATOM 1998 N PHE B 289 -14.807 -3.541 -5.021 1.00 0.00 N ATOM 1999 CA PHE B 289 -13.858 -4.578 -5.384 1.00 0.00 C ATOM 2000 C PHE B 289 -14.546 -5.933 -5.320 1.00 0.00 C ATOM 2001 O PHE B 289 -13.903 -6.968 -5.158 1.00 0.00 O ATOM 2002 CB PHE B 289 -12.628 -4.543 -4.466 1.00 0.00 C ATOM 2003 CG PHE B 289 -11.575 -3.550 -4.888 1.00 0.00 C ATOM 2004 CD1 PHE B 289 -11.845 -2.604 -5.865 1.00 0.00 C ATOM 2005 CD2 PHE B 289 -10.309 -3.570 -4.318 1.00 0.00 C ATOM 2006 CE1 PHE B 289 -10.880 -1.702 -6.266 1.00 0.00 C ATOM 2007 CE2 PHE B 289 -9.341 -2.665 -4.716 1.00 0.00 C ATOM 2008 CZ PHE B 289 -9.627 -1.732 -5.691 1.00 0.00 C ATOM 0 H PHE B 289 -14.966 -3.454 -4.017 1.00 0.00 H new ATOM 0 HA PHE B 289 -13.509 -4.402 -6.402 1.00 0.00 H new ATOM 0 HB2 PHE B 289 -12.951 -4.306 -3.452 1.00 0.00 H new ATOM 0 HB3 PHE B 289 -12.183 -5.537 -4.434 1.00 0.00 H new ATOM 0 HD1 PHE B 289 -12.824 -2.572 -6.319 1.00 0.00 H new ATOM 0 HD2 PHE B 289 -10.077 -4.300 -3.556 1.00 0.00 H new ATOM 0 HE1 PHE B 289 -11.106 -0.973 -7.030 1.00 0.00 H new ATOM 0 HE2 PHE B 289 -8.361 -2.689 -4.263 1.00 0.00 H new ATOM 0 HZ PHE B 289 -8.871 -1.027 -6.003 1.00 0.00 H new ATOM 2018 N LEU B 290 -15.869 -5.906 -5.439 1.00 0.00 N ATOM 2019 CA LEU B 290 -16.664 -7.122 -5.494 1.00 0.00 C ATOM 2020 C LEU B 290 -16.989 -7.440 -6.948 1.00 0.00 C ATOM 2021 O LEU B 290 -17.830 -8.290 -7.248 1.00 0.00 O ATOM 2022 CB LEU B 290 -17.964 -6.982 -4.683 1.00 0.00 C ATOM 2023 CG LEU B 290 -17.799 -6.777 -3.170 1.00 0.00 C ATOM 2024 CD1 LEU B 290 -17.367 -5.353 -2.848 1.00 0.00 C ATOM 2025 CD2 LEU B 290 -19.092 -7.114 -2.446 1.00 0.00 C ATOM 0 H LEU B 290 -16.415 -5.046 -5.499 1.00 0.00 H new ATOM 0 HA LEU B 290 -16.086 -7.934 -5.054 1.00 0.00 H new ATOM 0 HB2 LEU B 290 -18.529 -6.140 -5.083 1.00 0.00 H new ATOM 0 HB3 LEU B 290 -18.567 -7.876 -4.844 1.00 0.00 H new ATOM 0 HG LEU B 290 -17.015 -7.451 -2.824 1.00 0.00 H new ATOM 0 HD11 LEU B 290 -17.259 -5.241 -1.769 1.00 0.00 H new ATOM 0 HD12 LEU B 290 -16.413 -5.144 -3.332 1.00 0.00 H new ATOM 0 HD13 LEU B 290 -18.119 -4.653 -3.212 1.00 0.00 H new ATOM 0 HD21 LEU B 290 -18.959 -6.964 -1.375 1.00 0.00 H new ATOM 0 HD22 LEU B 290 -19.891 -6.466 -2.807 1.00 0.00 H new ATOM 0 HD23 LEU B 290 -19.355 -8.154 -2.636 1.00 0.00 H new ATOM 2037 N GLN B 291 -16.310 -6.735 -7.844 1.00 0.00 N ATOM 2038 CA GLN B 291 -16.484 -6.920 -9.277 1.00 0.00 C ATOM 2039 C GLN B 291 -16.051 -8.322 -9.689 1.00 0.00 C ATOM 2040 O GLN B 291 -15.267 -8.970 -8.994 1.00 0.00 O ATOM 2041 CB GLN B 291 -15.671 -5.874 -10.044 1.00 0.00 C ATOM 2042 CG GLN B 291 -14.179 -5.927 -9.746 1.00 0.00 C ATOM 2043 CD GLN B 291 -13.381 -4.897 -10.520 1.00 0.00 C ATOM 2044 OE1 GLN B 291 -13.878 -3.818 -10.844 1.00 0.00 O ATOM 2045 NE2 GLN B 291 -12.132 -5.221 -10.817 1.00 0.00 N ATOM 0 H GLN B 291 -15.625 -6.021 -7.597 1.00 0.00 H new ATOM 0 HA GLN B 291 -17.540 -6.796 -9.518 1.00 0.00 H new ATOM 0 HB2 GLN B 291 -15.825 -6.018 -11.113 1.00 0.00 H new ATOM 0 HB3 GLN B 291 -16.048 -4.881 -9.798 1.00 0.00 H new ATOM 0 HG2 GLN B 291 -14.022 -5.772 -8.679 1.00 0.00 H new ATOM 0 HG3 GLN B 291 -13.802 -6.922 -9.982 1.00 0.00 H new ATOM 0 HE21 GLN B 291 -11.758 -6.125 -10.530 1.00 0.00 H new ATOM 0 HE22 GLN B 291 -11.544 -4.566 -11.333 1.00 0.00 H new ATOM 2054 N SER B 292 -16.573 -8.793 -10.805 1.00 0.00 N ATOM 2055 CA SER B 292 -16.217 -10.101 -11.320 1.00 0.00 C ATOM 2056 C SER B 292 -16.142 -10.059 -12.841 1.00 0.00 C ATOM 2057 O SER B 292 -15.073 -9.683 -13.365 1.00 0.00 O ATOM 2058 CB SER B 292 -17.227 -11.149 -10.848 1.00 0.00 C ATOM 2059 OG SER B 292 -17.248 -11.220 -9.429 1.00 0.00 O ATOM 2060 OXT SER B 292 -17.150 -10.371 -13.502 1.00 0.00 O ATOM 0 H SER B 292 -17.249 -8.286 -11.376 1.00 0.00 H new ATOM 0 HA SER B 292 -15.236 -10.381 -10.936 1.00 0.00 H new ATOM 0 HB2 SER B 292 -18.220 -10.898 -11.220 1.00 0.00 H new ATOM 0 HB3 SER B 292 -16.969 -12.123 -11.262 1.00 0.00 H new ATOM 0 HG SER B 292 -17.900 -11.894 -9.145 1.00 0.00 H new TER 2066 SER B 292