USER MOD reduce.3.24.130724 H: found=0, std=0, add=953, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 953 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 83 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 48 GLN : amide:sc= 0.16 K(o=0.32,f=-4) USER MOD Set 3.2: A 50 TYR OH : rot 164:sc= 0.155 USER MOD Single : A 10 GLN : amide:sc= -3.95 K(o=-4,f=-4.7!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 103:sc= 1.24 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 165:sc= -0.226 USER MOD Single : A 39 ASN : amide:sc= -0.151 X(o=-0.15,f=-0.6) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 57 SER OG : rot 169:sc= 0.62 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.0172 X(o=-0.017,f=-0.022) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 160:sc= -0.112 (180deg=-0.599) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot -43:sc= 1.01 USER MOD Single : A 81 MET CE :methyl -150:sc=-0.00509 (180deg=-0.214) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 159:sc= -0.263 (180deg=-1.1) USER MOD Single : A 88 THR OG1 : rot 87:sc= 0.214 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc=-0.00778 (180deg=-0.00778) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc=-0.00512 X(o=-0.0051,f=-0.0051) USER MOD Single : A 94 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.452) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=-0.00042) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc=-0.00955 K(o=-0.0095,f=-1.3) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 57 N GLY A 4 2.481 -3.388 -9.875 1.00 10.13 N ATOM 58 CA GLY A 4 2.567 -4.405 -10.907 1.00 5.44 C ATOM 59 C GLY A 4 1.209 -4.785 -11.461 1.00 50.34 C ATOM 60 O GLY A 4 1.068 -5.808 -12.132 1.00 61.21 O ATOM 0 HA2 GLY A 4 3.198 -4.042 -11.718 1.00 5.44 H new ATOM 0 HA3 GLY A 4 3.051 -5.292 -10.499 1.00 5.44 H new ATOM 64 N LEU A 5 0.206 -3.961 -11.181 1.00 14.44 N ATOM 65 CA LEU A 5 -1.150 -4.216 -11.655 1.00 71.40 C ATOM 66 C LEU A 5 -1.797 -2.935 -12.171 1.00 32.11 C ATOM 67 O LEU A 5 -1.377 -1.833 -11.822 1.00 10.44 O ATOM 68 CB LEU A 5 -2.000 -4.814 -10.533 1.00 20.35 C ATOM 69 CG LEU A 5 -2.030 -6.341 -10.454 1.00 23.13 C ATOM 70 CD1 LEU A 5 -2.509 -6.934 -11.769 1.00 61.35 C ATOM 71 CD2 LEU A 5 -0.655 -6.883 -10.091 1.00 62.34 C ATOM 0 H LEU A 5 0.306 -3.110 -10.628 1.00 14.44 H new ATOM 0 HA LEU A 5 -1.092 -4.929 -12.478 1.00 71.40 H new ATOM 0 HB2 LEU A 5 -1.633 -4.428 -9.582 1.00 20.35 H new ATOM 0 HB3 LEU A 5 -3.023 -4.456 -10.649 1.00 20.35 H new ATOM 0 HG LEU A 5 -2.731 -6.632 -9.672 1.00 23.13 H new ATOM 0 HD11 LEU A 5 -2.524 -8.021 -11.694 1.00 61.35 H new ATOM 0 HD12 LEU A 5 -3.514 -6.572 -11.987 1.00 61.35 H new ATOM 0 HD13 LEU A 5 -1.834 -6.635 -12.570 1.00 61.35 H new ATOM 0 HD21 LEU A 5 -0.695 -7.971 -10.039 1.00 62.34 H new ATOM 0 HD22 LEU A 5 0.067 -6.582 -10.850 1.00 62.34 H new ATOM 0 HD23 LEU A 5 -0.351 -6.485 -9.123 1.00 62.34 H new ATOM 83 N GLU A 6 -2.823 -3.089 -13.002 1.00 70.43 N ATOM 84 CA GLU A 6 -3.529 -1.944 -13.565 1.00 3.04 C ATOM 85 C GLU A 6 -4.981 -1.917 -13.098 1.00 33.20 C ATOM 86 O GLU A 6 -5.679 -2.931 -13.148 1.00 0.40 O ATOM 87 CB GLU A 6 -3.473 -1.983 -15.093 1.00 53.13 C ATOM 88 CG GLU A 6 -3.553 -3.386 -15.670 1.00 24.53 C ATOM 89 CD GLU A 6 -3.538 -3.396 -17.186 1.00 35.11 C ATOM 90 OE1 GLU A 6 -3.283 -2.329 -17.783 1.00 21.30 O ATOM 91 OE2 GLU A 6 -3.783 -4.469 -17.775 1.00 71.43 O ATOM 0 H GLU A 6 -3.184 -3.995 -13.300 1.00 70.43 H new ATOM 0 HA GLU A 6 -3.036 -1.037 -13.214 1.00 3.04 H new ATOM 0 HB2 GLU A 6 -4.293 -1.387 -15.493 1.00 53.13 H new ATOM 0 HB3 GLU A 6 -2.547 -1.515 -15.426 1.00 53.13 H new ATOM 0 HG2 GLU A 6 -2.715 -3.976 -15.298 1.00 24.53 H new ATOM 0 HG3 GLU A 6 -4.464 -3.869 -15.316 1.00 24.53 H new ATOM 98 N ILE A 7 -5.429 -0.751 -12.644 1.00 73.52 N ATOM 99 CA ILE A 7 -6.798 -0.592 -12.169 1.00 71.31 C ATOM 100 C ILE A 7 -7.368 0.761 -12.579 1.00 54.22 C ATOM 101 O ILE A 7 -6.640 1.748 -12.680 1.00 52.11 O ATOM 102 CB ILE A 7 -6.882 -0.729 -10.637 1.00 61.24 C ATOM 103 CG1 ILE A 7 -5.612 -0.179 -9.984 1.00 55.01 C ATOM 104 CG2 ILE A 7 -7.097 -2.184 -10.247 1.00 15.33 C ATOM 105 CD1 ILE A 7 -4.520 -1.213 -9.820 1.00 54.32 C ATOM 0 H ILE A 7 -4.864 0.097 -12.595 1.00 73.52 H new ATOM 0 HA ILE A 7 -7.386 -1.386 -12.629 1.00 71.31 H new ATOM 0 HB ILE A 7 -7.732 -0.148 -10.281 1.00 61.24 H new ATOM 0 HG12 ILE A 7 -5.232 0.646 -10.586 1.00 55.01 H new ATOM 0 HG13 ILE A 7 -5.864 0.230 -9.005 1.00 55.01 H new ATOM 0 HG21 ILE A 7 -7.154 -2.265 -9.162 1.00 15.33 H new ATOM 0 HG22 ILE A 7 -8.026 -2.545 -10.687 1.00 15.33 H new ATOM 0 HG23 ILE A 7 -6.265 -2.785 -10.612 1.00 15.33 H new ATOM 0 HD11 ILE A 7 -3.650 -0.753 -9.351 1.00 54.32 H new ATOM 0 HD12 ILE A 7 -4.882 -2.028 -9.193 1.00 54.32 H new ATOM 0 HD13 ILE A 7 -4.240 -1.605 -10.798 1.00 54.32 H new ATOM 117 N ALA A 8 -8.676 0.800 -12.813 1.00 31.12 N ATOM 118 CA ALA A 8 -9.345 2.033 -13.208 1.00 53.00 C ATOM 119 C ALA A 8 -10.331 2.490 -12.138 1.00 2.12 C ATOM 120 O ALA A 8 -10.952 1.670 -11.461 1.00 53.42 O ATOM 121 CB ALA A 8 -10.059 1.843 -14.539 1.00 5.44 C ATOM 0 H ALA A 8 -9.293 -0.009 -12.736 1.00 31.12 H new ATOM 0 HA ALA A 8 -8.587 2.808 -13.322 1.00 53.00 H new ATOM 0 HB1 ALA A 8 -10.554 2.772 -14.822 1.00 5.44 H new ATOM 0 HB2 ALA A 8 -9.333 1.571 -15.305 1.00 5.44 H new ATOM 0 HB3 ALA A 8 -10.801 1.050 -14.444 1.00 5.44 H new ATOM 127 N PHE A 9 -10.469 3.803 -11.989 1.00 44.41 N ATOM 128 CA PHE A 9 -11.378 4.370 -10.999 1.00 63.53 C ATOM 129 C PHE A 9 -12.195 5.510 -11.600 1.00 64.55 C ATOM 130 O PHE A 9 -11.671 6.333 -12.351 1.00 32.24 O ATOM 131 CB PHE A 9 -10.594 4.873 -9.785 1.00 53.34 C ATOM 132 CG PHE A 9 -11.454 5.550 -8.756 1.00 43.32 C ATOM 133 CD1 PHE A 9 -12.515 4.879 -8.170 1.00 43.13 C ATOM 134 CD2 PHE A 9 -11.201 6.858 -8.375 1.00 43.32 C ATOM 135 CE1 PHE A 9 -13.307 5.499 -7.223 1.00 13.03 C ATOM 136 CE2 PHE A 9 -11.990 7.483 -7.428 1.00 5.21 C ATOM 137 CZ PHE A 9 -13.045 6.803 -6.852 1.00 2.22 C ATOM 0 H PHE A 9 -9.963 4.495 -12.541 1.00 44.41 H new ATOM 0 HA PHE A 9 -12.064 3.585 -10.680 1.00 63.53 H new ATOM 0 HB2 PHE A 9 -10.079 4.032 -9.321 1.00 53.34 H new ATOM 0 HB3 PHE A 9 -9.826 5.570 -10.121 1.00 53.34 H new ATOM 0 HD1 PHE A 9 -12.725 3.859 -8.457 1.00 43.13 H new ATOM 0 HD2 PHE A 9 -10.378 7.395 -8.823 1.00 43.32 H new ATOM 0 HE1 PHE A 9 -14.130 4.964 -6.773 1.00 13.03 H new ATOM 0 HE2 PHE A 9 -11.782 8.502 -7.139 1.00 5.21 H new ATOM 0 HZ PHE A 9 -13.664 7.290 -6.113 1.00 2.22 H new ATOM 147 N GLN A 10 -13.480 5.549 -11.265 1.00 52.03 N ATOM 148 CA GLN A 10 -14.370 6.587 -11.773 1.00 21.22 C ATOM 149 C GLN A 10 -14.483 7.740 -10.781 1.00 61.11 C ATOM 150 O GLN A 10 -14.172 7.590 -9.599 1.00 23.40 O ATOM 151 CB GLN A 10 -15.756 6.005 -12.057 1.00 41.53 C ATOM 152 CG GLN A 10 -16.465 5.487 -10.816 1.00 42.44 C ATOM 153 CD GLN A 10 -17.314 6.548 -10.144 1.00 3.04 C ATOM 154 OE1 GLN A 10 -16.827 7.312 -9.309 1.00 34.41 O ATOM 155 NE2 GLN A 10 -18.591 6.601 -10.504 1.00 44.32 N ATOM 0 H GLN A 10 -13.928 4.875 -10.645 1.00 52.03 H new ATOM 0 HA GLN A 10 -13.948 6.971 -12.702 1.00 21.22 H new ATOM 0 HB2 GLN A 10 -16.374 6.772 -12.525 1.00 41.53 H new ATOM 0 HB3 GLN A 10 -15.659 5.191 -12.776 1.00 41.53 H new ATOM 0 HG2 GLN A 10 -17.096 4.641 -11.089 1.00 42.44 H new ATOM 0 HG3 GLN A 10 -15.725 5.117 -10.107 1.00 42.44 H new ATOM 0 HE21 GLN A 10 -18.952 5.948 -11.200 1.00 44.32 H new ATOM 0 HE22 GLN A 10 -19.211 7.294 -10.085 1.00 44.32 H new ATOM 164 N THR A 11 -14.930 8.893 -11.270 1.00 31.44 N ATOM 165 CA THR A 11 -15.083 10.072 -10.427 1.00 63.00 C ATOM 166 C THR A 11 -15.904 11.147 -11.130 1.00 2.14 C ATOM 167 O THR A 11 -15.748 11.375 -12.330 1.00 33.42 O ATOM 168 CB THR A 11 -13.715 10.662 -10.033 1.00 74.22 C ATOM 169 OG1 THR A 11 -13.872 12.020 -9.608 1.00 41.33 O ATOM 170 CG2 THR A 11 -12.742 10.599 -11.201 1.00 14.21 C ATOM 0 H THR A 11 -15.192 9.035 -12.245 1.00 31.44 H new ATOM 0 HA THR A 11 -15.605 9.751 -9.526 1.00 63.00 H new ATOM 0 HB THR A 11 -13.311 10.070 -9.212 1.00 74.22 H new ATOM 0 HG1 THR A 11 -12.999 12.388 -9.358 1.00 41.33 H new ATOM 0 HG21 THR A 11 -11.783 11.021 -10.899 1.00 14.21 H new ATOM 0 HG22 THR A 11 -12.603 9.561 -11.503 1.00 14.21 H new ATOM 0 HG23 THR A 11 -13.142 11.170 -12.039 1.00 14.21 H new ATOM 178 N ILE A 12 -16.777 11.806 -10.375 1.00 21.30 N ATOM 179 CA ILE A 12 -17.621 12.858 -10.926 1.00 40.42 C ATOM 180 C ILE A 12 -17.624 14.089 -10.025 1.00 61.24 C ATOM 181 O ILE A 12 -18.664 14.707 -9.806 1.00 14.40 O ATOM 182 CB ILE A 12 -19.070 12.375 -11.120 1.00 32.50 C ATOM 183 CG1 ILE A 12 -19.505 11.510 -9.935 1.00 12.44 C ATOM 184 CG2 ILE A 12 -19.200 11.600 -12.423 1.00 12.00 C ATOM 185 CD1 ILE A 12 -19.752 12.301 -8.669 1.00 13.11 C ATOM 0 H ILE A 12 -16.918 11.630 -9.380 1.00 21.30 H new ATOM 0 HA ILE A 12 -17.202 13.122 -11.897 1.00 40.42 H new ATOM 0 HB ILE A 12 -19.724 13.246 -11.170 1.00 32.50 H new ATOM 0 HG12 ILE A 12 -20.415 10.973 -10.202 1.00 12.44 H new ATOM 0 HG13 ILE A 12 -18.738 10.760 -9.742 1.00 12.44 H new ATOM 0 HG21 ILE A 12 -20.230 11.265 -12.546 1.00 12.00 H new ATOM 0 HG22 ILE A 12 -18.926 12.244 -13.258 1.00 12.00 H new ATOM 0 HG23 ILE A 12 -18.538 10.735 -12.399 1.00 12.00 H new ATOM 0 HD11 ILE A 12 -20.057 11.624 -7.871 1.00 13.11 H new ATOM 0 HD12 ILE A 12 -18.837 12.817 -8.378 1.00 13.11 H new ATOM 0 HD13 ILE A 12 -20.540 13.033 -8.845 1.00 13.11 H new ATOM 237 N ASP A 16 -14.763 11.843 -4.641 1.00 55.33 N ATOM 238 CA ASP A 16 -13.550 11.114 -4.991 1.00 20.24 C ATOM 239 C ASP A 16 -12.496 12.056 -5.564 1.00 23.23 C ATOM 240 O ASP A 16 -11.330 11.687 -5.702 1.00 31.31 O ATOM 241 CB ASP A 16 -13.866 10.008 -5.999 1.00 54.41 C ATOM 242 CG ASP A 16 -15.263 9.445 -5.822 1.00 42.40 C ATOM 243 OD1 ASP A 16 -15.566 8.949 -4.717 1.00 53.22 O ATOM 244 OD2 ASP A 16 -16.052 9.500 -6.789 1.00 11.34 O ATOM 0 HA ASP A 16 -13.152 10.663 -4.082 1.00 20.24 H new ATOM 0 HB2 ASP A 16 -13.761 10.401 -7.010 1.00 54.41 H new ATOM 0 HB3 ASP A 16 -13.137 9.204 -5.893 1.00 54.41 H new ATOM 249 N GLU A 17 -12.915 13.273 -5.896 1.00 64.10 N ATOM 250 CA GLU A 17 -12.006 14.266 -6.456 1.00 40.30 C ATOM 251 C GLU A 17 -10.735 14.375 -5.618 1.00 72.22 C ATOM 252 O GLU A 17 -9.625 14.349 -6.149 1.00 41.41 O ATOM 253 CB GLU A 17 -12.694 15.631 -6.538 1.00 30.41 C ATOM 254 CG GLU A 17 -13.368 16.051 -5.243 1.00 32.13 C ATOM 255 CD GLU A 17 -14.229 17.289 -5.408 1.00 24.52 C ATOM 256 OE1 GLU A 17 -13.813 18.207 -6.144 1.00 44.21 O ATOM 257 OE2 GLU A 17 -15.319 17.338 -4.800 1.00 62.23 O ATOM 0 H GLU A 17 -13.877 13.595 -5.787 1.00 64.10 H new ATOM 0 HA GLU A 17 -11.732 13.944 -7.461 1.00 40.30 H new ATOM 0 HB2 GLU A 17 -11.956 16.384 -6.815 1.00 30.41 H new ATOM 0 HB3 GLU A 17 -13.438 15.606 -7.334 1.00 30.41 H new ATOM 0 HG2 GLU A 17 -13.985 15.230 -4.876 1.00 32.13 H new ATOM 0 HG3 GLU A 17 -12.607 16.241 -4.486 1.00 32.13 H new ATOM 264 N SER A 18 -10.907 14.497 -4.306 1.00 32.51 N ATOM 265 CA SER A 18 -9.775 14.613 -3.394 1.00 52.51 C ATOM 266 C SER A 18 -8.921 13.350 -3.423 1.00 72.45 C ATOM 267 O SER A 18 -7.691 13.417 -3.448 1.00 15.50 O ATOM 268 CB SER A 18 -10.266 14.878 -1.969 1.00 40.04 C ATOM 269 OG SER A 18 -10.558 16.251 -1.777 1.00 55.25 O ATOM 0 H SER A 18 -11.819 14.518 -3.850 1.00 32.51 H new ATOM 0 HA SER A 18 -9.161 15.452 -3.722 1.00 52.51 H new ATOM 0 HB2 SER A 18 -11.157 14.282 -1.772 1.00 40.04 H new ATOM 0 HB3 SER A 18 -9.506 14.561 -1.254 1.00 40.04 H new ATOM 0 HG SER A 18 -10.871 16.394 -0.859 1.00 55.25 H new ATOM 275 N LEU A 19 -9.582 12.197 -3.421 1.00 25.02 N ATOM 276 CA LEU A 19 -8.884 10.916 -3.447 1.00 74.22 C ATOM 277 C LEU A 19 -8.082 10.759 -4.735 1.00 22.12 C ATOM 278 O LEU A 19 -7.004 10.165 -4.738 1.00 64.12 O ATOM 279 CB LEU A 19 -9.884 9.766 -3.313 1.00 33.13 C ATOM 280 CG LEU A 19 -9.287 8.359 -3.268 1.00 31.01 C ATOM 281 CD1 LEU A 19 -9.058 7.831 -4.676 1.00 1.33 C ATOM 282 CD2 LEU A 19 -7.987 8.356 -2.477 1.00 40.31 C ATOM 0 H LEU A 19 -10.599 12.123 -3.402 1.00 25.02 H new ATOM 0 HA LEU A 19 -8.193 10.889 -2.605 1.00 74.22 H new ATOM 0 HB2 LEU A 19 -10.466 9.921 -2.405 1.00 33.13 H new ATOM 0 HB3 LEU A 19 -10.580 9.817 -4.150 1.00 33.13 H new ATOM 0 HG LEU A 19 -9.996 7.700 -2.766 1.00 31.01 H new ATOM 0 HD11 LEU A 19 -8.633 6.829 -4.624 1.00 1.33 H new ATOM 0 HD12 LEU A 19 -10.008 7.795 -5.210 1.00 1.33 H new ATOM 0 HD13 LEU A 19 -8.369 8.490 -5.204 1.00 1.33 H new ATOM 0 HD21 LEU A 19 -7.576 7.346 -2.456 1.00 40.31 H new ATOM 0 HD22 LEU A 19 -7.272 9.029 -2.950 1.00 40.31 H new ATOM 0 HD23 LEU A 19 -8.180 8.691 -1.458 1.00 40.31 H new ATOM 294 N VAL A 20 -8.614 11.298 -5.827 1.00 72.42 N ATOM 295 CA VAL A 20 -7.946 11.221 -7.121 1.00 32.31 C ATOM 296 C VAL A 20 -6.684 12.075 -7.139 1.00 42.13 C ATOM 297 O VAL A 20 -5.597 11.586 -7.446 1.00 2.32 O ATOM 298 CB VAL A 20 -8.877 11.675 -8.261 1.00 61.20 C ATOM 299 CG1 VAL A 20 -8.185 11.524 -9.607 1.00 51.33 C ATOM 300 CG2 VAL A 20 -10.179 10.889 -8.231 1.00 21.35 C ATOM 0 H VAL A 20 -9.506 11.793 -5.842 1.00 72.42 H new ATOM 0 HA VAL A 20 -7.676 10.176 -7.277 1.00 32.31 H new ATOM 0 HB VAL A 20 -9.113 12.729 -8.116 1.00 61.20 H new ATOM 0 HG11 VAL A 20 -8.858 11.849 -10.401 1.00 51.33 H new ATOM 0 HG12 VAL A 20 -7.283 12.135 -9.623 1.00 51.33 H new ATOM 0 HG13 VAL A 20 -7.918 10.479 -9.764 1.00 51.33 H new ATOM 0 HG21 VAL A 20 -10.824 11.223 -9.043 1.00 21.35 H new ATOM 0 HG22 VAL A 20 -9.966 9.827 -8.350 1.00 21.35 H new ATOM 0 HG23 VAL A 20 -10.681 11.053 -7.278 1.00 21.35 H new ATOM 310 N GLN A 21 -6.836 13.353 -6.808 1.00 51.45 N ATOM 311 CA GLN A 21 -5.707 14.276 -6.787 1.00 54.23 C ATOM 312 C GLN A 21 -4.710 13.892 -5.699 1.00 35.01 C ATOM 313 O GLN A 21 -3.525 14.210 -5.789 1.00 71.12 O ATOM 314 CB GLN A 21 -6.197 15.708 -6.565 1.00 5.41 C ATOM 315 CG GLN A 21 -6.858 16.322 -7.788 1.00 54.11 C ATOM 316 CD GLN A 21 -7.373 17.725 -7.531 1.00 61.22 C ATOM 317 OE1 GLN A 21 -6.905 18.690 -8.135 1.00 2.40 O ATOM 318 NE2 GLN A 21 -8.342 17.845 -6.631 1.00 70.43 N ATOM 0 H GLN A 21 -7.729 13.773 -6.551 1.00 51.45 H new ATOM 0 HA GLN A 21 -5.203 14.217 -7.752 1.00 54.23 H new ATOM 0 HB2 GLN A 21 -6.906 15.716 -5.737 1.00 5.41 H new ATOM 0 HB3 GLN A 21 -5.353 16.330 -6.268 1.00 5.41 H new ATOM 0 HG2 GLN A 21 -6.142 16.347 -8.609 1.00 54.11 H new ATOM 0 HG3 GLN A 21 -7.686 15.688 -8.106 1.00 54.11 H new ATOM 0 HE21 GLN A 21 -8.700 17.018 -6.154 1.00 70.43 H new ATOM 0 HE22 GLN A 21 -8.728 18.764 -6.417 1.00 70.43 H new ATOM 327 N ALA A 22 -5.200 13.207 -4.671 1.00 25.34 N ATOM 328 CA ALA A 22 -4.351 12.778 -3.566 1.00 31.23 C ATOM 329 C ALA A 22 -3.562 11.526 -3.933 1.00 71.23 C ATOM 330 O ALA A 22 -2.339 11.485 -3.789 1.00 15.22 O ATOM 331 CB ALA A 22 -5.191 12.528 -2.322 1.00 2.55 C ATOM 0 H ALA A 22 -6.180 12.937 -4.580 1.00 25.34 H new ATOM 0 HA ALA A 22 -3.639 13.576 -3.357 1.00 31.23 H new ATOM 0 HB1 ALA A 22 -4.545 12.208 -1.505 1.00 2.55 H new ATOM 0 HB2 ALA A 22 -5.705 13.447 -2.040 1.00 2.55 H new ATOM 0 HB3 ALA A 22 -5.926 11.750 -2.529 1.00 2.55 H new ATOM 337 N LEU A 23 -4.268 10.506 -4.408 1.00 60.44 N ATOM 338 CA LEU A 23 -3.633 9.251 -4.796 1.00 72.25 C ATOM 339 C LEU A 23 -2.651 9.469 -5.943 1.00 1.22 C ATOM 340 O LEU A 23 -1.629 8.790 -6.036 1.00 32.44 O ATOM 341 CB LEU A 23 -4.692 8.226 -5.206 1.00 34.23 C ATOM 342 CG LEU A 23 -5.121 8.253 -6.673 1.00 63.43 C ATOM 343 CD1 LEU A 23 -4.202 7.379 -7.513 1.00 73.14 C ATOM 344 CD2 LEU A 23 -6.567 7.800 -6.815 1.00 42.52 C ATOM 0 H LEU A 23 -5.280 10.523 -4.534 1.00 60.44 H new ATOM 0 HA LEU A 23 -3.081 8.871 -3.936 1.00 72.25 H new ATOM 0 HB2 LEU A 23 -4.312 7.230 -4.978 1.00 34.23 H new ATOM 0 HB3 LEU A 23 -5.576 8.380 -4.587 1.00 34.23 H new ATOM 0 HG LEU A 23 -5.046 9.278 -7.035 1.00 63.43 H new ATOM 0 HD11 LEU A 23 -4.522 7.410 -8.554 1.00 73.14 H new ATOM 0 HD12 LEU A 23 -3.179 7.748 -7.437 1.00 73.14 H new ATOM 0 HD13 LEU A 23 -4.245 6.352 -7.151 1.00 73.14 H new ATOM 0 HD21 LEU A 23 -6.855 7.826 -7.866 1.00 42.52 H new ATOM 0 HD22 LEU A 23 -6.669 6.783 -6.436 1.00 42.52 H new ATOM 0 HD23 LEU A 23 -7.215 8.466 -6.245 1.00 42.52 H new ATOM 356 N ALA A 24 -2.967 10.423 -6.812 1.00 41.33 N ATOM 357 CA ALA A 24 -2.110 10.734 -7.950 1.00 12.31 C ATOM 358 C ALA A 24 -0.697 11.081 -7.494 1.00 61.22 C ATOM 359 O ALA A 24 0.278 10.490 -7.958 1.00 34.14 O ATOM 360 CB ALA A 24 -2.702 11.879 -8.759 1.00 2.45 C ATOM 0 H ALA A 24 -3.810 10.994 -6.750 1.00 41.33 H new ATOM 0 HA ALA A 24 -2.052 9.848 -8.583 1.00 12.31 H new ATOM 0 HB1 ALA A 24 -2.052 12.101 -9.605 1.00 2.45 H new ATOM 0 HB2 ALA A 24 -3.689 11.594 -9.124 1.00 2.45 H new ATOM 0 HB3 ALA A 24 -2.790 12.763 -8.128 1.00 2.45 H new ATOM 366 N GLY A 25 -0.593 12.044 -6.583 1.00 61.22 N ATOM 367 CA GLY A 25 0.706 12.453 -6.081 1.00 32.20 C ATOM 368 C GLY A 25 1.318 11.424 -5.151 1.00 62.15 C ATOM 369 O GLY A 25 2.493 11.081 -5.281 1.00 64.22 O ATOM 0 H GLY A 25 -1.385 12.548 -6.184 1.00 61.22 H new ATOM 0 HA2 GLY A 25 1.379 12.625 -6.921 1.00 32.20 H new ATOM 0 HA3 GLY A 25 0.606 13.401 -5.553 1.00 32.20 H new ATOM 373 N VAL A 26 0.521 10.931 -4.209 1.00 73.22 N ATOM 374 CA VAL A 26 0.991 9.935 -3.253 1.00 42.44 C ATOM 375 C VAL A 26 1.533 8.702 -3.967 1.00 22.24 C ATOM 376 O VAL A 26 2.660 8.271 -3.717 1.00 74.32 O ATOM 377 CB VAL A 26 -0.132 9.506 -2.291 1.00 53.31 C ATOM 378 CG1 VAL A 26 0.367 8.438 -1.330 1.00 13.32 C ATOM 379 CG2 VAL A 26 -0.671 10.709 -1.532 1.00 1.35 C ATOM 0 H VAL A 26 -0.454 11.205 -4.087 1.00 73.22 H new ATOM 0 HA VAL A 26 1.792 10.400 -2.679 1.00 42.44 H new ATOM 0 HB VAL A 26 -0.947 9.081 -2.877 1.00 53.31 H new ATOM 0 HG11 VAL A 26 -0.440 8.147 -0.658 1.00 13.32 H new ATOM 0 HG12 VAL A 26 0.700 7.567 -1.895 1.00 13.32 H new ATOM 0 HG13 VAL A 26 1.199 8.833 -0.748 1.00 13.32 H new ATOM 0 HG21 VAL A 26 -1.464 10.388 -0.857 1.00 1.35 H new ATOM 0 HG22 VAL A 26 0.133 11.166 -0.956 1.00 1.35 H new ATOM 0 HG23 VAL A 26 -1.069 11.437 -2.239 1.00 1.35 H new ATOM 389 N THR A 27 0.724 8.136 -4.857 1.00 50.31 N ATOM 390 CA THR A 27 1.121 6.951 -5.607 1.00 3.51 C ATOM 391 C THR A 27 2.326 7.241 -6.495 1.00 51.21 C ATOM 392 O THR A 27 3.344 6.554 -6.420 1.00 72.32 O ATOM 393 CB THR A 27 -0.033 6.427 -6.482 1.00 21.03 C ATOM 394 OG1 THR A 27 -1.220 6.286 -5.693 1.00 60.34 O ATOM 395 CG2 THR A 27 0.328 5.089 -7.108 1.00 60.44 C ATOM 0 H THR A 27 -0.211 8.480 -5.076 1.00 50.31 H new ATOM 0 HA THR A 27 1.387 6.188 -4.875 1.00 3.51 H new ATOM 0 HB THR A 27 -0.211 7.147 -7.280 1.00 21.03 H new ATOM 0 HG1 THR A 27 -1.829 7.030 -5.883 1.00 60.34 H new ATOM 0 HG21 THR A 27 -0.502 4.739 -7.721 1.00 60.44 H new ATOM 0 HG22 THR A 27 1.215 5.206 -7.730 1.00 60.44 H new ATOM 0 HG23 THR A 27 0.530 4.362 -6.321 1.00 60.44 H new ATOM 403 N ALA A 28 2.203 8.264 -7.335 1.00 65.31 N ATOM 404 CA ALA A 28 3.284 8.646 -8.236 1.00 31.11 C ATOM 405 C ALA A 28 4.572 8.916 -7.465 1.00 74.21 C ATOM 406 O ALA A 28 5.666 8.617 -7.942 1.00 62.41 O ATOM 407 CB ALA A 28 2.886 9.870 -9.048 1.00 21.51 C ATOM 0 H ALA A 28 1.366 8.843 -7.410 1.00 65.31 H new ATOM 0 HA ALA A 28 3.467 7.815 -8.917 1.00 31.11 H new ATOM 0 HB1 ALA A 28 3.702 10.144 -9.716 1.00 21.51 H new ATOM 0 HB2 ALA A 28 1.996 9.643 -9.636 1.00 21.51 H new ATOM 0 HB3 ALA A 28 2.674 10.700 -8.374 1.00 21.51 H new ATOM 413 N SER A 29 4.433 9.484 -6.271 1.00 64.23 N ATOM 414 CA SER A 29 5.587 9.798 -5.436 1.00 53.43 C ATOM 415 C SER A 29 6.148 8.537 -4.787 1.00 73.22 C ATOM 416 O SER A 29 7.349 8.434 -4.540 1.00 45.24 O ATOM 417 CB SER A 29 5.201 10.812 -4.357 1.00 55.14 C ATOM 418 OG SER A 29 6.336 11.229 -3.620 1.00 2.14 O ATOM 0 H SER A 29 3.534 9.736 -5.861 1.00 64.23 H new ATOM 0 HA SER A 29 6.358 10.231 -6.073 1.00 53.43 H new ATOM 0 HB2 SER A 29 4.726 11.677 -4.820 1.00 55.14 H new ATOM 0 HB3 SER A 29 4.468 10.369 -3.683 1.00 55.14 H new ATOM 0 HG SER A 29 6.063 11.878 -2.938 1.00 2.14 H new ATOM 424 N ASP A 30 5.269 7.579 -4.513 1.00 53.14 N ATOM 425 CA ASP A 30 5.675 6.323 -3.894 1.00 33.01 C ATOM 426 C ASP A 30 6.298 5.386 -4.924 1.00 24.15 C ATOM 427 O ASP A 30 6.981 4.424 -4.570 1.00 44.40 O ATOM 428 CB ASP A 30 4.475 5.646 -3.230 1.00 73.43 C ATOM 429 CG ASP A 30 4.877 4.453 -2.385 1.00 62.14 C ATOM 430 OD1 ASP A 30 5.381 4.665 -1.263 1.00 23.31 O ATOM 431 OD2 ASP A 30 4.689 3.308 -2.847 1.00 70.30 O ATOM 0 H ASP A 30 4.271 7.649 -4.710 1.00 53.14 H new ATOM 0 HA ASP A 30 6.423 6.546 -3.133 1.00 33.01 H new ATOM 0 HB2 ASP A 30 3.953 6.371 -2.605 1.00 73.43 H new ATOM 0 HB3 ASP A 30 3.773 5.323 -3.998 1.00 73.43 H new ATOM 436 N PHE A 31 6.058 5.672 -6.199 1.00 11.12 N ATOM 437 CA PHE A 31 6.594 4.854 -7.280 1.00 61.12 C ATOM 438 C PHE A 31 7.467 5.689 -8.212 1.00 61.15 C ATOM 439 O PHE A 31 7.186 5.835 -9.402 1.00 60.12 O ATOM 440 CB PHE A 31 5.455 4.208 -8.072 1.00 65.30 C ATOM 441 CG PHE A 31 4.662 3.211 -7.276 1.00 50.21 C ATOM 442 CD1 PHE A 31 5.298 2.316 -6.431 1.00 15.11 C ATOM 443 CD2 PHE A 31 3.280 3.169 -7.374 1.00 5.53 C ATOM 444 CE1 PHE A 31 4.570 1.398 -5.697 1.00 3.02 C ATOM 445 CE2 PHE A 31 2.548 2.254 -6.642 1.00 0.12 C ATOM 446 CZ PHE A 31 3.194 1.366 -5.803 1.00 53.53 C ATOM 0 H PHE A 31 5.496 6.464 -6.509 1.00 11.12 H new ATOM 0 HA PHE A 31 7.210 4.071 -6.839 1.00 61.12 H new ATOM 0 HB2 PHE A 31 4.785 4.989 -8.432 1.00 65.30 H new ATOM 0 HB3 PHE A 31 5.869 3.713 -8.950 1.00 65.30 H new ATOM 0 HD1 PHE A 31 6.374 2.336 -6.345 1.00 15.11 H new ATOM 0 HD2 PHE A 31 2.770 3.859 -8.030 1.00 5.53 H new ATOM 0 HE1 PHE A 31 5.078 0.706 -5.041 1.00 3.02 H new ATOM 0 HE2 PHE A 31 1.471 2.233 -6.725 1.00 0.12 H new ATOM 0 HZ PHE A 31 2.624 0.649 -5.232 1.00 53.53 H new ATOM 501 N ASP A 35 8.146 3.532 -12.127 1.00 43.22 N ATOM 502 CA ASP A 35 7.633 4.051 -13.389 1.00 51.55 C ATOM 503 C ASP A 35 6.132 3.803 -13.509 1.00 45.50 C ATOM 504 O ASP A 35 5.685 3.052 -14.376 1.00 51.31 O ATOM 505 CB ASP A 35 8.365 3.405 -14.567 1.00 13.12 C ATOM 506 CG ASP A 35 9.797 3.884 -14.692 1.00 5.54 C ATOM 507 OD1 ASP A 35 10.008 5.114 -14.754 1.00 21.43 O ATOM 508 OD2 ASP A 35 10.708 3.030 -14.728 1.00 42.51 O ATOM 0 HA ASP A 35 7.808 5.127 -13.409 1.00 51.55 H new ATOM 0 HB2 ASP A 35 8.357 2.322 -14.446 1.00 13.12 H new ATOM 0 HB3 ASP A 35 7.829 3.627 -15.490 1.00 13.12 H new ATOM 513 N ILE A 36 5.361 4.438 -12.633 1.00 4.33 N ATOM 514 CA ILE A 36 3.912 4.286 -12.641 1.00 12.24 C ATOM 515 C ILE A 36 3.294 4.972 -13.854 1.00 74.13 C ATOM 516 O ILE A 36 3.700 6.070 -14.235 1.00 62.24 O ATOM 517 CB ILE A 36 3.278 4.863 -11.361 1.00 2.31 C ATOM 518 CG1 ILE A 36 1.754 4.899 -11.492 1.00 2.04 C ATOM 519 CG2 ILE A 36 3.824 6.256 -11.081 1.00 61.42 C ATOM 520 CD1 ILE A 36 1.042 5.170 -10.185 1.00 51.30 C ATOM 0 H ILE A 36 5.716 5.063 -11.909 1.00 4.33 H new ATOM 0 HA ILE A 36 3.708 3.216 -12.688 1.00 12.24 H new ATOM 0 HB ILE A 36 3.537 4.217 -10.522 1.00 2.31 H new ATOM 0 HG12 ILE A 36 1.477 5.668 -12.213 1.00 2.04 H new ATOM 0 HG13 ILE A 36 1.409 3.946 -11.894 1.00 2.04 H new ATOM 0 HG21 ILE A 36 3.367 6.650 -10.174 1.00 61.42 H new ATOM 0 HG22 ILE A 36 4.905 6.204 -10.949 1.00 61.42 H new ATOM 0 HG23 ILE A 36 3.592 6.913 -11.919 1.00 61.42 H new ATOM 0 HD11 ILE A 36 -0.035 5.181 -10.353 1.00 51.30 H new ATOM 0 HD12 ILE A 36 1.289 4.388 -9.467 1.00 51.30 H new ATOM 0 HD13 ILE A 36 1.358 6.136 -9.792 1.00 51.30 H new ATOM 532 N LYS A 37 2.307 4.318 -14.457 1.00 53.05 N ATOM 533 CA LYS A 37 1.628 4.865 -15.627 1.00 25.43 C ATOM 534 C LYS A 37 0.174 5.194 -15.307 1.00 74.45 C ATOM 535 O LYS A 37 -0.737 4.453 -15.681 1.00 4.33 O ATOM 536 CB LYS A 37 1.695 3.873 -16.790 1.00 74.23 C ATOM 537 CG LYS A 37 3.045 3.192 -16.933 1.00 51.23 C ATOM 538 CD LYS A 37 4.166 4.205 -17.097 1.00 15.31 C ATOM 539 CE LYS A 37 3.982 5.042 -18.354 1.00 73.40 C ATOM 540 NZ LYS A 37 5.244 5.721 -18.757 1.00 52.35 N ATOM 0 H LYS A 37 1.959 3.408 -14.155 1.00 53.05 H new ATOM 0 HA LYS A 37 2.135 5.786 -15.914 1.00 25.43 H new ATOM 0 HB2 LYS A 37 0.927 3.112 -16.652 1.00 74.23 H new ATOM 0 HB3 LYS A 37 1.462 4.397 -17.717 1.00 74.23 H new ATOM 0 HG2 LYS A 37 3.237 2.575 -16.055 1.00 51.23 H new ATOM 0 HG3 LYS A 37 3.027 2.525 -17.795 1.00 51.23 H new ATOM 0 HD2 LYS A 37 4.198 4.858 -16.225 1.00 15.31 H new ATOM 0 HD3 LYS A 37 5.123 3.686 -17.141 1.00 15.31 H new ATOM 0 HE2 LYS A 37 3.637 4.404 -19.168 1.00 73.40 H new ATOM 0 HE3 LYS A 37 3.206 5.789 -18.183 1.00 73.40 H new ATOM 0 HZ1 LYS A 37 5.077 6.281 -19.617 1.00 52.35 H new ATOM 0 HZ2 LYS A 37 5.560 6.349 -17.991 1.00 52.35 H new ATOM 0 HZ3 LYS A 37 5.977 5.008 -18.945 1.00 52.35 H new ATOM 554 N TYR A 38 -0.038 6.308 -14.617 1.00 11.24 N ATOM 555 CA TYR A 38 -1.382 6.734 -14.247 1.00 15.53 C ATOM 556 C TYR A 38 -1.696 8.111 -14.825 1.00 1.23 C ATOM 557 O TYR A 38 -0.806 8.944 -14.991 1.00 61.11 O ATOM 558 CB TYR A 38 -1.531 6.762 -12.725 1.00 4.34 C ATOM 559 CG TYR A 38 -2.488 7.822 -12.229 1.00 0.44 C ATOM 560 CD1 TYR A 38 -2.044 9.105 -11.935 1.00 4.51 C ATOM 561 CD2 TYR A 38 -3.838 7.541 -12.055 1.00 25.32 C ATOM 562 CE1 TYR A 38 -2.915 10.077 -11.481 1.00 23.32 C ATOM 563 CE2 TYR A 38 -4.716 8.506 -11.603 1.00 12.14 C ATOM 564 CZ TYR A 38 -4.250 9.772 -11.317 1.00 1.35 C ATOM 565 OH TYR A 38 -5.121 10.737 -10.866 1.00 12.42 O ATOM 0 H TYR A 38 0.704 6.933 -14.302 1.00 11.24 H new ATOM 0 HA TYR A 38 -2.089 6.016 -14.661 1.00 15.53 H new ATOM 0 HB2 TYR A 38 -1.875 5.786 -12.384 1.00 4.34 H new ATOM 0 HB3 TYR A 38 -0.552 6.929 -12.276 1.00 4.34 H new ATOM 0 HD1 TYR A 38 -0.999 9.347 -12.064 1.00 4.51 H new ATOM 0 HD2 TYR A 38 -4.207 6.551 -12.277 1.00 25.32 H new ATOM 0 HE1 TYR A 38 -2.553 11.069 -11.256 1.00 23.32 H new ATOM 0 HE2 TYR A 38 -5.762 8.271 -11.474 1.00 12.14 H new ATOM 0 HH TYR A 38 -6.043 10.448 -11.031 1.00 12.42 H new ATOM 575 N ASN A 39 -2.969 8.342 -15.128 1.00 51.32 N ATOM 576 CA ASN A 39 -3.402 9.618 -15.688 1.00 30.34 C ATOM 577 C ASN A 39 -4.891 9.842 -15.442 1.00 1.11 C ATOM 578 O ASN A 39 -5.615 8.918 -15.070 1.00 0.23 O ATOM 579 CB ASN A 39 -3.108 9.666 -17.188 1.00 74.05 C ATOM 580 CG ASN A 39 -1.780 10.329 -17.497 1.00 23.24 C ATOM 581 OD1 ASN A 39 -1.445 11.368 -16.927 1.00 63.43 O ATOM 582 ND2 ASN A 39 -1.016 9.729 -18.402 1.00 44.22 N ATOM 0 H ASN A 39 -3.719 7.663 -14.996 1.00 51.32 H new ATOM 0 HA ASN A 39 -2.846 10.413 -15.191 1.00 30.34 H new ATOM 0 HB2 ASN A 39 -3.106 8.652 -17.587 1.00 74.05 H new ATOM 0 HB3 ASN A 39 -3.907 10.207 -17.695 1.00 74.05 H new ATOM 0 HD21 ASN A 39 -0.111 10.128 -18.650 1.00 44.22 H new ATOM 0 HD22 ASN A 39 -1.334 8.869 -18.849 1.00 44.22 H new ATOM 589 N ILE A 40 -5.341 11.074 -15.653 1.00 44.51 N ATOM 590 CA ILE A 40 -6.743 11.420 -15.456 1.00 71.53 C ATOM 591 C ILE A 40 -7.293 12.189 -16.652 1.00 42.43 C ATOM 592 O ILE A 40 -6.710 13.184 -17.085 1.00 70.34 O ATOM 593 CB ILE A 40 -6.942 12.262 -14.182 1.00 72.24 C ATOM 594 CG1 ILE A 40 -5.588 12.646 -13.582 1.00 33.32 C ATOM 595 CG2 ILE A 40 -7.780 11.498 -13.168 1.00 73.01 C ATOM 596 CD1 ILE A 40 -5.699 13.501 -12.339 1.00 32.42 C ATOM 0 H ILE A 40 -4.755 11.850 -15.961 1.00 44.51 H new ATOM 0 HA ILE A 40 -7.287 10.482 -15.349 1.00 71.53 H new ATOM 0 HB ILE A 40 -7.473 13.176 -14.447 1.00 72.24 H new ATOM 0 HG12 ILE A 40 -5.036 11.738 -13.340 1.00 33.32 H new ATOM 0 HG13 ILE A 40 -5.006 13.183 -14.332 1.00 33.32 H new ATOM 0 HG21 ILE A 40 -7.912 12.106 -12.273 1.00 73.01 H new ATOM 0 HG22 ILE A 40 -8.755 11.271 -13.599 1.00 73.01 H new ATOM 0 HG23 ILE A 40 -7.274 10.569 -12.904 1.00 73.01 H new ATOM 0 HD11 ILE A 40 -4.701 13.735 -11.968 1.00 32.42 H new ATOM 0 HD12 ILE A 40 -6.223 14.426 -12.579 1.00 32.42 H new ATOM 0 HD13 ILE A 40 -6.253 12.959 -11.573 1.00 32.42 H new ATOM 608 N PHE A 41 -8.420 11.724 -17.181 1.00 43.22 N ATOM 609 CA PHE A 41 -9.050 12.369 -18.327 1.00 43.32 C ATOM 610 C PHE A 41 -10.527 12.639 -18.055 1.00 42.14 C ATOM 611 O PHE A 41 -11.175 11.909 -17.304 1.00 10.51 O ATOM 612 CB PHE A 41 -8.900 11.498 -19.576 1.00 32.21 C ATOM 613 CG PHE A 41 -8.879 10.025 -19.280 1.00 55.32 C ATOM 614 CD1 PHE A 41 -10.060 9.304 -19.202 1.00 51.24 C ATOM 615 CD2 PHE A 41 -7.679 9.362 -19.081 1.00 15.25 C ATOM 616 CE1 PHE A 41 -10.044 7.949 -18.930 1.00 3.53 C ATOM 617 CE2 PHE A 41 -7.657 8.007 -18.808 1.00 2.32 C ATOM 618 CZ PHE A 41 -8.841 7.300 -18.733 1.00 64.14 C ATOM 0 H PHE A 41 -8.916 10.903 -16.834 1.00 43.22 H new ATOM 0 HA PHE A 41 -8.550 13.323 -18.496 1.00 43.32 H new ATOM 0 HB2 PHE A 41 -9.722 11.712 -20.259 1.00 32.21 H new ATOM 0 HB3 PHE A 41 -7.979 11.770 -20.091 1.00 32.21 H new ATOM 0 HD1 PHE A 41 -11.004 9.807 -19.355 1.00 51.24 H new ATOM 0 HD2 PHE A 41 -6.750 9.910 -19.140 1.00 15.25 H new ATOM 0 HE1 PHE A 41 -10.971 7.398 -18.872 1.00 3.53 H new ATOM 0 HE2 PHE A 41 -6.715 7.502 -18.654 1.00 2.32 H new ATOM 0 HZ PHE A 41 -8.826 6.241 -18.521 1.00 64.14 H new ATOM 628 N LEU A 42 -11.053 13.692 -18.671 1.00 44.22 N ATOM 629 CA LEU A 42 -12.453 14.060 -18.496 1.00 53.22 C ATOM 630 C LEU A 42 -13.258 13.755 -19.756 1.00 1.23 C ATOM 631 O LEU A 42 -12.888 14.165 -20.856 1.00 42.10 O ATOM 632 CB LEU A 42 -12.571 15.545 -18.149 1.00 54.31 C ATOM 633 CG LEU A 42 -13.992 16.080 -17.962 1.00 4.01 C ATOM 634 CD1 LEU A 42 -14.618 16.413 -19.307 1.00 74.50 C ATOM 635 CD2 LEU A 42 -14.846 15.072 -17.208 1.00 31.51 C ATOM 0 H LEU A 42 -10.531 14.306 -19.296 1.00 44.22 H new ATOM 0 HA LEU A 42 -12.859 13.468 -17.676 1.00 53.22 H new ATOM 0 HB2 LEU A 42 -12.011 15.729 -17.232 1.00 54.31 H new ATOM 0 HB3 LEU A 42 -12.088 16.121 -18.938 1.00 54.31 H new ATOM 0 HG LEU A 42 -13.941 16.995 -17.372 1.00 4.01 H new ATOM 0 HD11 LEU A 42 -15.628 16.792 -19.154 1.00 74.50 H new ATOM 0 HD12 LEU A 42 -14.018 17.172 -19.810 1.00 74.50 H new ATOM 0 HD13 LEU A 42 -14.657 15.514 -19.923 1.00 74.50 H new ATOM 0 HD21 LEU A 42 -15.853 15.469 -17.084 1.00 31.51 H new ATOM 0 HD22 LEU A 42 -14.890 14.140 -17.771 1.00 31.51 H new ATOM 0 HD23 LEU A 42 -14.407 14.884 -16.228 1.00 31.51 H new ATOM 647 N VAL A 43 -14.362 13.035 -19.586 1.00 60.45 N ATOM 648 CA VAL A 43 -15.221 12.677 -20.709 1.00 13.42 C ATOM 649 C VAL A 43 -16.527 13.464 -20.674 1.00 22.04 C ATOM 650 O VAL A 43 -17.127 13.643 -19.614 1.00 1.43 O ATOM 651 CB VAL A 43 -15.542 11.171 -20.713 1.00 34.03 C ATOM 652 CG1 VAL A 43 -14.413 10.382 -20.067 1.00 40.54 C ATOM 653 CG2 VAL A 43 -16.862 10.906 -20.003 1.00 43.03 C ATOM 0 H VAL A 43 -14.683 12.688 -18.682 1.00 60.45 H new ATOM 0 HA VAL A 43 -14.674 12.926 -21.618 1.00 13.42 H new ATOM 0 HB VAL A 43 -15.638 10.841 -21.747 1.00 34.03 H new ATOM 0 HG11 VAL A 43 -14.658 9.320 -20.079 1.00 40.54 H new ATOM 0 HG12 VAL A 43 -13.489 10.548 -20.622 1.00 40.54 H new ATOM 0 HG13 VAL A 43 -14.281 10.712 -19.037 1.00 40.54 H new ATOM 0 HG21 VAL A 43 -17.073 9.837 -20.015 1.00 43.03 H new ATOM 0 HG22 VAL A 43 -16.796 11.251 -18.971 1.00 43.03 H new ATOM 0 HG23 VAL A 43 -17.663 11.440 -20.514 1.00 43.03 H new ATOM 663 N ASP A 44 -16.961 13.931 -21.839 1.00 33.21 N ATOM 664 CA ASP A 44 -18.197 14.698 -21.942 1.00 74.54 C ATOM 665 C ASP A 44 -19.036 14.219 -23.123 1.00 52.35 C ATOM 666 O ASP A 44 -18.730 14.520 -24.278 1.00 71.42 O ATOM 667 CB ASP A 44 -17.887 16.188 -22.091 1.00 73.24 C ATOM 668 CG ASP A 44 -16.916 16.467 -23.222 1.00 34.02 C ATOM 669 OD1 ASP A 44 -15.742 16.056 -23.111 1.00 11.22 O ATOM 670 OD2 ASP A 44 -17.331 17.095 -24.218 1.00 11.42 O ATOM 0 H ASP A 44 -16.476 13.792 -22.725 1.00 33.21 H new ATOM 0 HA ASP A 44 -18.769 14.544 -21.027 1.00 74.54 H new ATOM 0 HB2 ASP A 44 -18.814 16.733 -22.269 1.00 73.24 H new ATOM 0 HB3 ASP A 44 -17.470 16.565 -21.157 1.00 73.24 H new ATOM 675 N LEU A 45 -20.094 13.473 -22.827 1.00 74.11 N ATOM 676 CA LEU A 45 -20.978 12.952 -23.865 1.00 23.45 C ATOM 677 C LEU A 45 -22.388 12.739 -23.323 1.00 43.30 C ATOM 678 O LEU A 45 -22.583 12.572 -22.119 1.00 24.31 O ATOM 679 CB LEU A 45 -20.427 11.635 -24.416 1.00 54.22 C ATOM 680 CG LEU A 45 -20.236 11.571 -25.932 1.00 21.51 C ATOM 681 CD1 LEU A 45 -21.579 11.630 -26.643 1.00 31.13 C ATOM 682 CD2 LEU A 45 -19.330 12.699 -26.404 1.00 35.13 C ATOM 0 H LEU A 45 -20.361 13.215 -21.877 1.00 74.11 H new ATOM 0 HA LEU A 45 -21.025 13.685 -24.670 1.00 23.45 H new ATOM 0 HB2 LEU A 45 -19.466 11.438 -23.940 1.00 54.22 H new ATOM 0 HB3 LEU A 45 -21.100 10.830 -24.120 1.00 54.22 H new ATOM 0 HG LEU A 45 -19.760 10.622 -26.179 1.00 21.51 H new ATOM 0 HD11 LEU A 45 -21.423 11.583 -27.721 1.00 31.13 H new ATOM 0 HD12 LEU A 45 -22.194 10.787 -26.329 1.00 31.13 H new ATOM 0 HD13 LEU A 45 -22.084 12.562 -26.390 1.00 31.13 H new ATOM 0 HD21 LEU A 45 -19.205 12.637 -27.485 1.00 35.13 H new ATOM 0 HD22 LEU A 45 -19.778 13.658 -26.144 1.00 35.13 H new ATOM 0 HD23 LEU A 45 -18.357 12.610 -25.921 1.00 35.13 H new ATOM 694 N TYR A 46 -23.367 12.746 -24.220 1.00 74.31 N ATOM 695 CA TYR A 46 -24.760 12.554 -23.833 1.00 1.15 C ATOM 696 C TYR A 46 -25.234 13.687 -22.928 1.00 13.05 C ATOM 697 O TYR A 46 -26.212 13.544 -22.195 1.00 22.55 O ATOM 698 CB TYR A 46 -24.933 11.211 -23.121 1.00 1.33 C ATOM 699 CG TYR A 46 -24.385 10.038 -23.901 1.00 32.54 C ATOM 700 CD1 TYR A 46 -25.071 9.525 -24.995 1.00 42.23 C ATOM 701 CD2 TYR A 46 -23.183 9.440 -23.543 1.00 10.24 C ATOM 702 CE1 TYR A 46 -24.575 8.452 -25.711 1.00 3.44 C ATOM 703 CE2 TYR A 46 -22.679 8.368 -24.253 1.00 3.10 C ATOM 704 CZ TYR A 46 -23.378 7.878 -25.336 1.00 32.31 C ATOM 705 OH TYR A 46 -22.880 6.809 -26.045 1.00 42.02 O ATOM 0 H TYR A 46 -23.222 12.883 -25.220 1.00 74.31 H new ATOM 0 HA TYR A 46 -25.367 12.558 -24.739 1.00 1.15 H new ATOM 0 HB2 TYR A 46 -24.436 11.256 -22.152 1.00 1.33 H new ATOM 0 HB3 TYR A 46 -25.993 11.045 -22.928 1.00 1.33 H new ATOM 0 HD1 TYR A 46 -26.008 9.973 -25.291 1.00 42.23 H new ATOM 0 HD2 TYR A 46 -22.633 9.820 -22.695 1.00 10.24 H new ATOM 0 HE1 TYR A 46 -25.121 8.065 -26.559 1.00 3.44 H new ATOM 0 HE2 TYR A 46 -21.742 7.916 -23.962 1.00 3.10 H new ATOM 0 HH TYR A 46 -22.029 6.524 -25.652 1.00 42.02 H new ATOM 715 N GLY A 47 -24.533 14.815 -22.986 1.00 13.52 N ATOM 716 CA GLY A 47 -24.897 15.958 -22.168 1.00 20.32 C ATOM 717 C GLY A 47 -24.340 15.865 -20.761 1.00 63.43 C ATOM 718 O GLY A 47 -24.385 16.834 -20.004 1.00 65.13 O ATOM 0 H GLY A 47 -23.720 14.958 -23.585 1.00 13.52 H new ATOM 0 HA2 GLY A 47 -24.532 16.870 -22.640 1.00 20.32 H new ATOM 0 HA3 GLY A 47 -25.983 16.036 -22.121 1.00 20.32 H new ATOM 722 N GLN A 48 -23.815 14.695 -20.411 1.00 22.14 N ATOM 723 CA GLN A 48 -23.249 14.479 -19.084 1.00 41.03 C ATOM 724 C GLN A 48 -21.739 14.279 -19.163 1.00 30.34 C ATOM 725 O GLN A 48 -21.246 13.507 -19.986 1.00 10.32 O ATOM 726 CB GLN A 48 -23.902 13.266 -18.419 1.00 53.41 C ATOM 727 CG GLN A 48 -25.421 13.277 -18.492 1.00 3.33 C ATOM 728 CD GLN A 48 -26.038 11.986 -17.992 1.00 52.01 C ATOM 729 OE1 GLN A 48 -25.564 10.895 -18.308 1.00 61.44 O ATOM 730 NE2 GLN A 48 -27.102 12.103 -17.207 1.00 14.43 N ATOM 0 H GLN A 48 -23.770 13.883 -21.027 1.00 22.14 H new ATOM 0 HA GLN A 48 -23.449 15.366 -18.482 1.00 41.03 H new ATOM 0 HB2 GLN A 48 -23.530 12.358 -18.893 1.00 53.41 H new ATOM 0 HB3 GLN A 48 -23.597 13.227 -17.373 1.00 53.41 H new ATOM 0 HG2 GLN A 48 -25.803 14.110 -17.902 1.00 3.33 H new ATOM 0 HG3 GLN A 48 -25.730 13.448 -19.523 1.00 3.33 H new ATOM 0 HE21 GLN A 48 -27.462 13.028 -16.970 1.00 14.43 H new ATOM 0 HE22 GLN A 48 -27.560 11.268 -16.841 1.00 14.43 H new ATOM 739 N LYS A 49 -21.009 14.979 -18.301 1.00 21.30 N ATOM 740 CA LYS A 49 -19.555 14.878 -18.271 1.00 4.00 C ATOM 741 C LYS A 49 -19.084 14.169 -17.005 1.00 73.20 C ATOM 742 O LYS A 49 -19.494 14.518 -15.898 1.00 32.13 O ATOM 743 CB LYS A 49 -18.925 16.270 -18.352 1.00 43.32 C ATOM 744 CG LYS A 49 -19.629 17.308 -17.495 1.00 22.54 C ATOM 745 CD LYS A 49 -20.533 18.200 -18.329 1.00 4.05 C ATOM 746 CE LYS A 49 -19.946 19.594 -18.488 1.00 1.32 C ATOM 747 NZ LYS A 49 -20.973 20.582 -18.919 1.00 50.35 N ATOM 0 H LYS A 49 -21.401 15.623 -17.614 1.00 21.30 H new ATOM 0 HA LYS A 49 -19.239 14.291 -19.134 1.00 4.00 H new ATOM 0 HB2 LYS A 49 -17.881 16.205 -18.045 1.00 43.32 H new ATOM 0 HB3 LYS A 49 -18.932 16.603 -19.390 1.00 43.32 H new ATOM 0 HG2 LYS A 49 -20.219 16.808 -16.727 1.00 22.54 H new ATOM 0 HG3 LYS A 49 -18.888 17.919 -16.980 1.00 22.54 H new ATOM 0 HD2 LYS A 49 -20.682 17.752 -19.312 1.00 4.05 H new ATOM 0 HD3 LYS A 49 -21.514 18.268 -17.858 1.00 4.05 H new ATOM 0 HE2 LYS A 49 -19.509 19.914 -17.542 1.00 1.32 H new ATOM 0 HE3 LYS A 49 -19.139 19.567 -19.220 1.00 1.32 H new ATOM 0 HZ1 LYS A 49 -20.534 21.520 -19.016 1.00 50.35 H new ATOM 0 HZ2 LYS A 49 -21.373 20.291 -19.834 1.00 50.35 H new ATOM 0 HZ3 LYS A 49 -21.731 20.627 -18.209 1.00 50.35 H new ATOM 761 N TYR A 50 -18.222 13.173 -17.176 1.00 43.30 N ATOM 762 CA TYR A 50 -17.696 12.415 -16.047 1.00 75.30 C ATOM 763 C TYR A 50 -16.178 12.293 -16.132 1.00 30.04 C ATOM 764 O TYR A 50 -15.602 12.309 -17.220 1.00 2.55 O ATOM 765 CB TYR A 50 -18.329 11.023 -16.002 1.00 72.23 C ATOM 766 CG TYR A 50 -19.840 11.042 -16.068 1.00 64.14 C ATOM 767 CD1 TYR A 50 -20.578 11.920 -15.284 1.00 43.13 C ATOM 768 CD2 TYR A 50 -20.529 10.181 -16.914 1.00 3.40 C ATOM 769 CE1 TYR A 50 -21.958 11.941 -15.341 1.00 21.33 C ATOM 770 CE2 TYR A 50 -21.909 10.196 -16.978 1.00 45.10 C ATOM 771 CZ TYR A 50 -22.619 11.077 -16.189 1.00 44.24 C ATOM 772 OH TYR A 50 -23.993 11.094 -16.249 1.00 73.13 O ATOM 0 H TYR A 50 -17.873 12.872 -18.086 1.00 43.30 H new ATOM 0 HA TYR A 50 -17.948 12.952 -15.132 1.00 75.30 H new ATOM 0 HB2 TYR A 50 -17.945 10.431 -16.833 1.00 72.23 H new ATOM 0 HB3 TYR A 50 -18.020 10.522 -15.085 1.00 72.23 H new ATOM 0 HD1 TYR A 50 -20.064 12.598 -14.619 1.00 43.13 H new ATOM 0 HD2 TYR A 50 -19.976 9.489 -17.532 1.00 3.40 H new ATOM 0 HE1 TYR A 50 -22.516 12.630 -14.725 1.00 21.33 H new ATOM 0 HE2 TYR A 50 -22.429 9.522 -17.642 1.00 45.10 H new ATOM 0 HH TYR A 50 -24.291 10.626 -17.057 1.00 73.13 H new ATOM 782 N PHE A 51 -15.536 12.170 -14.975 1.00 24.01 N ATOM 783 CA PHE A 51 -14.084 12.045 -14.916 1.00 42.51 C ATOM 784 C PHE A 51 -13.672 10.599 -14.657 1.00 10.34 C ATOM 785 O PHE A 51 -14.228 9.931 -13.784 1.00 41.45 O ATOM 786 CB PHE A 51 -13.517 12.953 -13.823 1.00 3.23 C ATOM 787 CG PHE A 51 -13.765 14.414 -14.068 1.00 44.10 C ATOM 788 CD1 PHE A 51 -15.006 14.973 -13.809 1.00 63.11 C ATOM 789 CD2 PHE A 51 -12.756 15.229 -14.558 1.00 75.52 C ATOM 790 CE1 PHE A 51 -15.237 16.317 -14.033 1.00 71.04 C ATOM 791 CE2 PHE A 51 -12.982 16.573 -14.784 1.00 42.30 C ATOM 792 CZ PHE A 51 -14.224 17.118 -14.523 1.00 21.15 C ATOM 0 H PHE A 51 -15.998 12.154 -14.066 1.00 24.01 H new ATOM 0 HA PHE A 51 -13.679 12.352 -15.880 1.00 42.51 H new ATOM 0 HB2 PHE A 51 -13.957 12.674 -12.866 1.00 3.23 H new ATOM 0 HB3 PHE A 51 -12.443 12.784 -13.742 1.00 3.23 H new ATOM 0 HD1 PHE A 51 -15.802 14.351 -13.428 1.00 63.11 H new ATOM 0 HD2 PHE A 51 -11.783 14.809 -14.765 1.00 75.52 H new ATOM 0 HE1 PHE A 51 -16.208 16.741 -13.825 1.00 71.04 H new ATOM 0 HE2 PHE A 51 -12.187 17.198 -15.165 1.00 42.30 H new ATOM 0 HZ PHE A 51 -14.403 18.168 -14.702 1.00 21.15 H new ATOM 802 N ARG A 52 -12.695 10.123 -15.421 1.00 23.54 N ATOM 803 CA ARG A 52 -12.209 8.756 -15.275 1.00 71.53 C ATOM 804 C ARG A 52 -10.689 8.729 -15.150 1.00 45.14 C ATOM 805 O ARG A 52 -9.986 9.461 -15.848 1.00 61.14 O ATOM 806 CB ARG A 52 -12.648 7.906 -16.469 1.00 52.14 C ATOM 807 CG ARG A 52 -14.106 8.101 -16.852 1.00 52.01 C ATOM 808 CD ARG A 52 -15.040 7.544 -15.790 1.00 34.54 C ATOM 809 NE ARG A 52 -16.438 7.864 -16.067 1.00 0.43 N ATOM 810 CZ ARG A 52 -17.462 7.186 -15.560 1.00 50.44 C ATOM 811 NH1 ARG A 52 -17.246 6.156 -14.755 1.00 64.30 N ATOM 812 NH2 ARG A 52 -18.706 7.539 -15.859 1.00 43.53 N ATOM 0 H ARG A 52 -12.224 10.663 -16.147 1.00 23.54 H new ATOM 0 HA ARG A 52 -12.638 8.340 -14.363 1.00 71.53 H new ATOM 0 HB2 ARG A 52 -12.020 8.148 -17.327 1.00 52.14 H new ATOM 0 HB3 ARG A 52 -12.480 6.854 -16.237 1.00 52.14 H new ATOM 0 HG2 ARG A 52 -14.307 9.163 -16.994 1.00 52.01 H new ATOM 0 HG3 ARG A 52 -14.302 7.609 -17.805 1.00 52.01 H new ATOM 0 HD2 ARG A 52 -14.920 6.462 -15.734 1.00 34.54 H new ATOM 0 HD3 ARG A 52 -14.762 7.947 -14.816 1.00 34.54 H new ATOM 0 HE ARG A 52 -16.639 8.651 -16.684 1.00 0.43 H new ATOM 0 HH11 ARG A 52 -16.291 5.882 -14.523 1.00 64.30 H new ATOM 0 HH12 ARG A 52 -18.034 5.638 -14.367 1.00 64.30 H new ATOM 0 HH21 ARG A 52 -18.876 8.331 -16.478 1.00 43.53 H new ATOM 0 HH22 ARG A 52 -19.492 7.018 -15.469 1.00 43.53 H new ATOM 826 N ILE A 53 -10.188 7.882 -14.257 1.00 51.22 N ATOM 827 CA ILE A 53 -8.752 7.761 -14.042 1.00 23.43 C ATOM 828 C ILE A 53 -8.257 6.365 -14.408 1.00 51.40 C ATOM 829 O ILE A 53 -8.881 5.362 -14.060 1.00 12.11 O ATOM 830 CB ILE A 53 -8.375 8.059 -12.579 1.00 23.15 C ATOM 831 CG1 ILE A 53 -8.354 6.766 -11.761 1.00 22.14 C ATOM 832 CG2 ILE A 53 -9.349 9.059 -11.974 1.00 22.11 C ATOM 833 CD1 ILE A 53 -7.033 6.031 -11.825 1.00 10.40 C ATOM 0 H ILE A 53 -10.756 7.270 -13.671 1.00 51.22 H new ATOM 0 HA ILE A 53 -8.273 8.496 -14.689 1.00 23.43 H new ATOM 0 HB ILE A 53 -7.377 8.496 -12.559 1.00 23.15 H new ATOM 0 HG12 ILE A 53 -8.580 7.000 -10.721 1.00 22.14 H new ATOM 0 HG13 ILE A 53 -9.145 6.107 -12.118 1.00 22.14 H new ATOM 0 HG21 ILE A 53 -9.069 9.259 -10.940 1.00 22.11 H new ATOM 0 HG22 ILE A 53 -9.319 9.987 -12.544 1.00 22.11 H new ATOM 0 HG23 ILE A 53 -10.358 8.648 -12.004 1.00 22.11 H new ATOM 0 HD11 ILE A 53 -7.091 5.125 -11.222 1.00 10.40 H new ATOM 0 HD12 ILE A 53 -6.814 5.765 -12.859 1.00 10.40 H new ATOM 0 HD13 ILE A 53 -6.241 6.673 -11.440 1.00 10.40 H new ATOM 845 N LEU A 54 -7.131 6.309 -15.111 1.00 74.40 N ATOM 846 CA LEU A 54 -6.550 5.036 -15.524 1.00 34.34 C ATOM 847 C LEU A 54 -5.145 4.869 -14.955 1.00 20.32 C ATOM 848 O LEU A 54 -4.246 5.655 -15.253 1.00 1.23 O ATOM 849 CB LEU A 54 -6.510 4.942 -17.050 1.00 4.01 C ATOM 850 CG LEU A 54 -6.677 3.542 -17.641 1.00 64.22 C ATOM 851 CD1 LEU A 54 -6.258 3.526 -19.103 1.00 54.42 C ATOM 852 CD2 LEU A 54 -5.871 2.527 -16.843 1.00 71.45 C ATOM 0 H LEU A 54 -6.602 7.130 -15.407 1.00 74.40 H new ATOM 0 HA LEU A 54 -7.177 4.235 -15.134 1.00 34.34 H new ATOM 0 HB2 LEU A 54 -7.295 5.581 -17.454 1.00 4.01 H new ATOM 0 HB3 LEU A 54 -5.559 5.349 -17.394 1.00 4.01 H new ATOM 0 HG LEU A 54 -7.730 3.267 -17.583 1.00 64.22 H new ATOM 0 HD11 LEU A 54 -6.384 2.521 -19.507 1.00 54.42 H new ATOM 0 HD12 LEU A 54 -6.877 4.224 -19.667 1.00 54.42 H new ATOM 0 HD13 LEU A 54 -5.212 3.822 -19.185 1.00 54.42 H new ATOM 0 HD21 LEU A 54 -6.002 1.536 -17.278 1.00 71.45 H new ATOM 0 HD22 LEU A 54 -4.816 2.799 -16.869 1.00 71.45 H new ATOM 0 HD23 LEU A 54 -6.218 2.518 -15.810 1.00 71.45 H new ATOM 864 N PHE A 55 -4.962 3.838 -14.136 1.00 72.01 N ATOM 865 CA PHE A 55 -3.666 3.567 -13.526 1.00 63.54 C ATOM 866 C PHE A 55 -3.163 2.179 -13.913 1.00 23.31 C ATOM 867 O PHE A 55 -3.797 1.170 -13.606 1.00 14.14 O ATOM 868 CB PHE A 55 -3.760 3.681 -12.004 1.00 15.15 C ATOM 869 CG PHE A 55 -2.709 2.892 -11.276 1.00 52.44 C ATOM 870 CD1 PHE A 55 -1.385 2.939 -11.682 1.00 51.11 C ATOM 871 CD2 PHE A 55 -3.045 2.105 -10.187 1.00 61.11 C ATOM 872 CE1 PHE A 55 -0.416 2.214 -11.015 1.00 71.42 C ATOM 873 CE2 PHE A 55 -2.080 1.377 -9.516 1.00 0.51 C ATOM 874 CZ PHE A 55 -0.764 1.433 -9.930 1.00 64.10 C ATOM 0 H PHE A 55 -5.695 3.177 -13.880 1.00 72.01 H new ATOM 0 HA PHE A 55 -2.957 4.308 -13.895 1.00 63.54 H new ATOM 0 HB2 PHE A 55 -3.676 4.730 -11.721 1.00 15.15 H new ATOM 0 HB3 PHE A 55 -4.745 3.342 -11.683 1.00 15.15 H new ATOM 0 HD1 PHE A 55 -1.107 3.549 -12.529 1.00 51.11 H new ATOM 0 HD2 PHE A 55 -4.073 2.059 -9.858 1.00 61.11 H new ATOM 0 HE1 PHE A 55 0.612 2.258 -11.342 1.00 71.42 H new ATOM 0 HE2 PHE A 55 -2.355 0.765 -8.669 1.00 0.51 H new ATOM 0 HZ PHE A 55 -0.008 0.867 -9.406 1.00 64.10 H new ATOM 884 N GLN A 56 -2.019 2.137 -14.589 1.00 11.41 N ATOM 885 CA GLN A 56 -1.432 0.874 -15.019 1.00 24.03 C ATOM 886 C GLN A 56 0.070 0.853 -14.751 1.00 73.21 C ATOM 887 O GLN A 56 0.720 1.897 -14.726 1.00 4.43 O ATOM 888 CB GLN A 56 -1.700 0.643 -16.507 1.00 23.32 C ATOM 889 CG GLN A 56 -1.111 1.718 -17.405 1.00 53.44 C ATOM 890 CD GLN A 56 -1.659 1.663 -18.818 1.00 15.23 C ATOM 891 OE1 GLN A 56 -2.778 2.106 -19.079 1.00 74.44 O ATOM 892 NE2 GLN A 56 -0.872 1.118 -19.738 1.00 11.32 N ATOM 0 H GLN A 56 -1.481 2.963 -14.850 1.00 11.41 H new ATOM 0 HA GLN A 56 -1.896 0.072 -14.445 1.00 24.03 H new ATOM 0 HB2 GLN A 56 -1.290 -0.325 -16.796 1.00 23.32 H new ATOM 0 HB3 GLN A 56 -2.777 0.594 -16.671 1.00 23.32 H new ATOM 0 HG2 GLN A 56 -1.319 2.698 -16.976 1.00 53.44 H new ATOM 0 HG3 GLN A 56 -0.027 1.607 -17.435 1.00 53.44 H new ATOM 0 HE21 GLN A 56 0.048 0.764 -19.477 1.00 11.32 H new ATOM 0 HE22 GLN A 56 -1.188 1.054 -20.706 1.00 11.32 H new ATOM 901 N SER A 57 0.613 -0.344 -14.552 1.00 5.55 N ATOM 902 CA SER A 57 2.038 -0.500 -14.282 1.00 32.35 C ATOM 903 C SER A 57 2.808 -0.778 -15.569 1.00 54.42 C ATOM 904 O SER A 57 2.218 -0.920 -16.641 1.00 2.12 O ATOM 905 CB SER A 57 2.267 -1.636 -13.282 1.00 41.03 C ATOM 906 OG SER A 57 2.509 -1.129 -11.981 1.00 60.32 O ATOM 0 H SER A 57 0.089 -1.219 -14.573 1.00 5.55 H new ATOM 0 HA SER A 57 2.406 0.432 -13.854 1.00 32.35 H new ATOM 0 HB2 SER A 57 1.395 -2.290 -13.264 1.00 41.03 H new ATOM 0 HB3 SER A 57 3.114 -2.242 -13.603 1.00 41.03 H new ATOM 0 HG SER A 57 2.477 -1.863 -11.333 1.00 60.32 H new ATOM 912 N LYS A 58 4.129 -0.853 -15.456 1.00 63.23 N ATOM 913 CA LYS A 58 4.983 -1.115 -16.609 1.00 55.44 C ATOM 914 C LYS A 58 5.332 -2.596 -16.703 1.00 31.40 C ATOM 915 O LYS A 58 5.465 -3.146 -17.797 1.00 14.12 O ATOM 916 CB LYS A 58 6.264 -0.282 -16.521 1.00 33.31 C ATOM 917 CG LYS A 58 6.864 0.056 -17.874 1.00 50.25 C ATOM 918 CD LYS A 58 7.863 -0.998 -18.321 1.00 21.03 C ATOM 919 CE LYS A 58 9.145 -0.932 -17.505 1.00 2.40 C ATOM 920 NZ LYS A 58 10.272 -1.628 -18.185 1.00 61.12 N ATOM 0 H LYS A 58 4.633 -0.736 -14.577 1.00 63.23 H new ATOM 0 HA LYS A 58 4.434 -0.832 -17.507 1.00 55.44 H new ATOM 0 HB2 LYS A 58 6.049 0.644 -15.987 1.00 33.31 H new ATOM 0 HB3 LYS A 58 7.002 -0.827 -15.932 1.00 33.31 H new ATOM 0 HG2 LYS A 58 6.069 0.142 -18.614 1.00 50.25 H new ATOM 0 HG3 LYS A 58 7.357 1.027 -17.822 1.00 50.25 H new ATOM 0 HD2 LYS A 58 7.418 -1.988 -18.222 1.00 21.03 H new ATOM 0 HD3 LYS A 58 8.095 -0.857 -19.377 1.00 21.03 H new ATOM 0 HE2 LYS A 58 9.413 0.111 -17.333 1.00 2.40 H new ATOM 0 HE3 LYS A 58 8.977 -1.383 -16.527 1.00 2.40 H new ATOM 0 HZ1 LYS A 58 11.127 -1.560 -17.597 1.00 61.12 H new ATOM 0 HZ2 LYS A 58 10.027 -2.629 -18.326 1.00 61.12 H new ATOM 0 HZ3 LYS A 58 10.450 -1.182 -19.107 1.00 61.12 H new ATOM 934 N LYS A 59 5.478 -3.239 -15.549 1.00 64.13 N ATOM 935 CA LYS A 59 5.809 -4.658 -15.500 1.00 64.21 C ATOM 936 C LYS A 59 4.547 -5.508 -15.388 1.00 4.31 C ATOM 937 O LYS A 59 4.613 -6.738 -15.388 1.00 53.34 O ATOM 938 CB LYS A 59 6.737 -4.946 -14.318 1.00 4.23 C ATOM 939 CG LYS A 59 8.066 -5.561 -14.723 1.00 12.23 C ATOM 940 CD LYS A 59 9.230 -4.893 -14.010 1.00 52.21 C ATOM 941 CE LYS A 59 9.623 -3.589 -14.687 1.00 1.53 C ATOM 942 NZ LYS A 59 11.093 -3.498 -14.905 1.00 64.52 N ATOM 0 H LYS A 59 5.372 -2.799 -14.635 1.00 64.13 H new ATOM 0 HA LYS A 59 6.320 -4.918 -16.427 1.00 64.21 H new ATOM 0 HB2 LYS A 59 6.925 -4.017 -13.780 1.00 4.23 H new ATOM 0 HB3 LYS A 59 6.231 -5.619 -13.625 1.00 4.23 H new ATOM 0 HG2 LYS A 59 8.060 -6.626 -14.493 1.00 12.23 H new ATOM 0 HG3 LYS A 59 8.197 -5.469 -15.801 1.00 12.23 H new ATOM 0 HD2 LYS A 59 8.959 -4.698 -12.972 1.00 52.21 H new ATOM 0 HD3 LYS A 59 10.085 -5.569 -13.995 1.00 52.21 H new ATOM 0 HE2 LYS A 59 9.108 -3.507 -15.644 1.00 1.53 H new ATOM 0 HE3 LYS A 59 9.294 -2.749 -14.075 1.00 1.53 H new ATOM 0 HZ1 LYS A 59 11.320 -2.595 -15.368 1.00 64.52 H new ATOM 0 HZ2 LYS A 59 11.584 -3.550 -13.989 1.00 64.52 H new ATOM 0 HZ3 LYS A 59 11.404 -4.285 -15.510 1.00 64.52 H new ATOM 956 N LEU A 60 3.400 -4.845 -15.293 1.00 41.24 N ATOM 957 CA LEU A 60 2.122 -5.539 -15.182 1.00 61.43 C ATOM 958 C LEU A 60 2.044 -6.698 -16.171 1.00 42.15 C ATOM 959 O LEU A 60 2.233 -6.514 -17.374 1.00 34.20 O ATOM 960 CB LEU A 60 0.967 -4.566 -15.427 1.00 65.31 C ATOM 961 CG LEU A 60 0.645 -4.262 -16.890 1.00 40.14 C ATOM 962 CD1 LEU A 60 -0.363 -5.262 -17.434 1.00 71.32 C ATOM 963 CD2 LEU A 60 0.121 -2.841 -17.037 1.00 12.35 C ATOM 0 H LEU A 60 3.329 -3.827 -15.291 1.00 41.24 H new ATOM 0 HA LEU A 60 2.042 -5.941 -14.172 1.00 61.43 H new ATOM 0 HB2 LEU A 60 0.071 -4.970 -14.955 1.00 65.31 H new ATOM 0 HB3 LEU A 60 1.196 -3.627 -14.924 1.00 65.31 H new ATOM 0 HG LEU A 60 1.564 -4.351 -17.470 1.00 40.14 H new ATOM 0 HD11 LEU A 60 -0.580 -5.029 -18.477 1.00 71.32 H new ATOM 0 HD12 LEU A 60 0.049 -6.269 -17.365 1.00 71.32 H new ATOM 0 HD13 LEU A 60 -1.282 -5.206 -16.851 1.00 71.32 H new ATOM 0 HD21 LEU A 60 -0.103 -2.642 -18.085 1.00 12.35 H new ATOM 0 HD22 LEU A 60 -0.786 -2.724 -16.444 1.00 12.35 H new ATOM 0 HD23 LEU A 60 0.876 -2.137 -16.688 1.00 12.35 H new ATOM 975 N SER A 61 1.763 -7.891 -15.657 1.00 3.22 N ATOM 976 CA SER A 61 1.662 -9.080 -16.495 1.00 33.04 C ATOM 977 C SER A 61 0.213 -9.545 -16.604 1.00 32.43 C ATOM 978 O SER A 61 -0.583 -9.351 -15.686 1.00 20.14 O ATOM 979 CB SER A 61 2.529 -10.205 -15.927 1.00 63.11 C ATOM 980 OG SER A 61 3.041 -11.026 -16.963 1.00 4.15 O ATOM 0 H SER A 61 1.601 -8.060 -14.664 1.00 3.22 H new ATOM 0 HA SER A 61 2.020 -8.824 -17.492 1.00 33.04 H new ATOM 0 HB2 SER A 61 3.353 -9.780 -15.355 1.00 63.11 H new ATOM 0 HB3 SER A 61 1.940 -10.809 -15.237 1.00 63.11 H new ATOM 0 HG SER A 61 3.593 -11.736 -16.575 1.00 4.15 H new ATOM 986 N GLU A 62 -0.121 -10.161 -17.734 1.00 1.12 N ATOM 987 CA GLU A 62 -1.474 -10.653 -17.964 1.00 30.42 C ATOM 988 C GLU A 62 -1.772 -11.860 -17.078 1.00 43.12 C ATOM 989 O GLU A 62 -2.932 -12.192 -16.830 1.00 41.55 O ATOM 990 CB GLU A 62 -1.661 -11.029 -19.435 1.00 42.34 C ATOM 991 CG GLU A 62 -1.826 -9.829 -20.353 1.00 61.12 C ATOM 992 CD GLU A 62 -0.517 -9.108 -20.612 1.00 13.01 C ATOM 993 OE1 GLU A 62 0.500 -9.791 -20.850 1.00 63.31 O ATOM 994 OE2 GLU A 62 -0.511 -7.860 -20.576 1.00 55.43 O ATOM 0 H GLU A 62 0.526 -10.331 -18.504 1.00 1.12 H new ATOM 0 HA GLU A 62 -2.171 -9.855 -17.709 1.00 30.42 H new ATOM 0 HB2 GLU A 62 -0.801 -11.613 -19.764 1.00 42.34 H new ATOM 0 HB3 GLU A 62 -2.537 -11.671 -19.529 1.00 42.34 H new ATOM 0 HG2 GLU A 62 -2.249 -10.158 -21.302 1.00 61.12 H new ATOM 0 HG3 GLU A 62 -2.538 -9.133 -19.910 1.00 61.12 H new ATOM 1001 N LEU A 63 -0.716 -12.513 -16.604 1.00 75.03 N ATOM 1002 CA LEU A 63 -0.863 -13.684 -15.746 1.00 52.32 C ATOM 1003 C LEU A 63 -0.947 -13.276 -14.279 1.00 30.22 C ATOM 1004 O LEU A 63 -1.086 -12.095 -13.958 1.00 75.34 O ATOM 1005 CB LEU A 63 0.310 -14.643 -15.955 1.00 34.44 C ATOM 1006 CG LEU A 63 0.643 -14.991 -17.406 1.00 1.50 C ATOM 1007 CD1 LEU A 63 2.116 -15.344 -17.545 1.00 74.24 C ATOM 1008 CD2 LEU A 63 -0.231 -16.136 -17.895 1.00 30.33 C ATOM 0 H LEU A 63 0.250 -12.252 -16.799 1.00 75.03 H new ATOM 0 HA LEU A 63 -1.790 -14.189 -16.017 1.00 52.32 H new ATOM 0 HB2 LEU A 63 1.196 -14.207 -15.495 1.00 34.44 H new ATOM 0 HB3 LEU A 63 0.096 -15.569 -15.420 1.00 34.44 H new ATOM 0 HG LEU A 63 0.440 -14.117 -18.025 1.00 1.50 H new ATOM 0 HD11 LEU A 63 2.335 -15.589 -18.584 1.00 74.24 H new ATOM 0 HD12 LEU A 63 2.725 -14.494 -17.237 1.00 74.24 H new ATOM 0 HD13 LEU A 63 2.346 -16.203 -16.914 1.00 74.24 H new ATOM 0 HD21 LEU A 63 0.020 -16.369 -18.930 1.00 30.33 H new ATOM 0 HD22 LEU A 63 -0.061 -17.015 -17.273 1.00 30.33 H new ATOM 0 HD23 LEU A 63 -1.280 -15.845 -17.833 1.00 30.33 H new ATOM 1020 N HIS A 64 -0.859 -14.261 -13.390 1.00 71.14 N ATOM 1021 CA HIS A 64 -0.922 -14.005 -11.956 1.00 11.41 C ATOM 1022 C HIS A 64 -2.282 -13.432 -11.566 1.00 25.55 C ATOM 1023 O HIS A 64 -2.419 -12.248 -11.261 1.00 12.42 O ATOM 1024 CB HIS A 64 0.189 -13.040 -11.540 1.00 32.15 C ATOM 1025 CG HIS A 64 1.527 -13.383 -12.118 1.00 3.33 C ATOM 1026 ND1 HIS A 64 2.310 -12.472 -12.796 1.00 13.24 N ATOM 1027 CD2 HIS A 64 2.222 -14.544 -12.115 1.00 31.44 C ATOM 1028 CE1 HIS A 64 3.427 -13.059 -13.186 1.00 51.11 C ATOM 1029 NE2 HIS A 64 3.399 -14.317 -12.785 1.00 34.01 N ATOM 0 H HIS A 64 -0.744 -15.244 -13.638 1.00 71.14 H new ATOM 0 HA HIS A 64 -0.784 -14.953 -11.436 1.00 11.41 H new ATOM 0 HB2 HIS A 64 -0.083 -12.031 -11.849 1.00 32.15 H new ATOM 0 HB3 HIS A 64 0.263 -13.032 -10.453 1.00 32.15 H new ATOM 0 HD2 HIS A 64 1.909 -15.476 -11.668 1.00 31.44 H new ATOM 0 HE1 HIS A 64 4.227 -12.590 -13.739 1.00 51.11 H new ATOM 0 HE2 HIS A 64 4.132 -15.007 -12.947 1.00 34.01 H new ATOM 1037 N PRO A 65 -3.311 -14.292 -11.575 1.00 60.30 N ATOM 1038 CA PRO A 65 -4.678 -13.895 -11.225 1.00 3.33 C ATOM 1039 C PRO A 65 -4.827 -13.580 -9.740 1.00 54.23 C ATOM 1040 O PRO A 65 -5.617 -12.718 -9.356 1.00 54.05 O ATOM 1041 CB PRO A 65 -5.511 -15.123 -11.597 1.00 71.53 C ATOM 1042 CG PRO A 65 -4.559 -16.266 -11.516 1.00 65.02 C ATOM 1043 CD PRO A 65 -3.220 -15.719 -11.928 1.00 23.00 C ATOM 0 HA PRO A 65 -4.983 -12.985 -11.741 1.00 3.33 H new ATOM 0 HB2 PRO A 65 -6.348 -15.256 -10.912 1.00 71.53 H new ATOM 0 HB3 PRO A 65 -5.931 -15.028 -12.598 1.00 71.53 H new ATOM 0 HG2 PRO A 65 -4.521 -16.671 -10.505 1.00 65.02 H new ATOM 0 HG3 PRO A 65 -4.868 -17.079 -12.174 1.00 65.02 H new ATOM 0 HD2 PRO A 65 -2.404 -16.212 -11.399 1.00 23.00 H new ATOM 0 HD3 PRO A 65 -3.040 -15.859 -12.994 1.00 23.00 H new ATOM 1051 N GLU A 66 -4.063 -14.284 -8.911 1.00 14.54 N ATOM 1052 CA GLU A 66 -4.113 -14.078 -7.468 1.00 4.21 C ATOM 1053 C GLU A 66 -3.731 -12.645 -7.109 1.00 44.43 C ATOM 1054 O GLU A 66 -4.182 -12.106 -6.099 1.00 41.23 O ATOM 1055 CB GLU A 66 -3.178 -15.059 -6.758 1.00 65.32 C ATOM 1056 CG GLU A 66 -3.597 -15.377 -5.333 1.00 31.31 C ATOM 1057 CD GLU A 66 -2.907 -16.610 -4.783 1.00 22.40 C ATOM 1058 OE1 GLU A 66 -1.745 -16.493 -4.341 1.00 31.14 O ATOM 1059 OE2 GLU A 66 -3.529 -17.693 -4.795 1.00 35.01 O ATOM 0 H GLU A 66 -3.403 -15.001 -9.213 1.00 14.54 H new ATOM 0 HA GLU A 66 -5.136 -14.257 -7.137 1.00 4.21 H new ATOM 0 HB2 GLU A 66 -3.135 -15.986 -7.330 1.00 65.32 H new ATOM 0 HB3 GLU A 66 -2.170 -14.644 -6.747 1.00 65.32 H new ATOM 0 HG2 GLU A 66 -3.372 -14.524 -4.693 1.00 31.31 H new ATOM 0 HG3 GLU A 66 -4.676 -15.524 -5.300 1.00 31.31 H new ATOM 1066 N GLU A 67 -2.896 -12.034 -7.945 1.00 24.34 N ATOM 1067 CA GLU A 67 -2.452 -10.664 -7.715 1.00 22.43 C ATOM 1068 C GLU A 67 -3.561 -9.670 -8.047 1.00 21.24 C ATOM 1069 O GLU A 67 -3.666 -8.612 -7.426 1.00 53.15 O ATOM 1070 CB GLU A 67 -1.210 -10.359 -8.555 1.00 71.31 C ATOM 1071 CG GLU A 67 -0.057 -11.318 -8.308 1.00 54.02 C ATOM 1072 CD GLU A 67 1.156 -11.003 -9.161 1.00 62.22 C ATOM 1073 OE1 GLU A 67 1.218 -9.885 -9.714 1.00 51.01 O ATOM 1074 OE2 GLU A 67 2.043 -11.874 -9.276 1.00 64.22 O ATOM 0 H GLU A 67 -2.514 -12.466 -8.786 1.00 24.34 H new ATOM 0 HA GLU A 67 -2.201 -10.563 -6.659 1.00 22.43 H new ATOM 0 HB2 GLU A 67 -1.479 -10.392 -9.611 1.00 71.31 H new ATOM 0 HB3 GLU A 67 -0.878 -9.343 -8.342 1.00 71.31 H new ATOM 0 HG2 GLU A 67 0.224 -11.279 -7.255 1.00 54.02 H new ATOM 0 HG3 GLU A 67 -0.386 -12.337 -8.513 1.00 54.02 H new ATOM 1081 N ARG A 68 -4.385 -10.019 -9.029 1.00 51.42 N ATOM 1082 CA ARG A 68 -5.485 -9.157 -9.445 1.00 51.13 C ATOM 1083 C ARG A 68 -6.388 -8.818 -8.263 1.00 23.14 C ATOM 1084 O ARG A 68 -6.691 -7.651 -8.013 1.00 60.21 O ATOM 1085 CB ARG A 68 -6.303 -9.834 -10.547 1.00 4.20 C ATOM 1086 CG ARG A 68 -6.254 -9.102 -11.878 1.00 62.34 C ATOM 1087 CD ARG A 68 -5.994 -10.060 -13.031 1.00 13.21 C ATOM 1088 NE ARG A 68 -6.868 -11.229 -12.978 1.00 63.03 N ATOM 1089 CZ ARG A 68 -6.663 -12.332 -13.690 1.00 22.03 C ATOM 1090 NH1 ARG A 68 -5.619 -12.416 -14.503 1.00 53.24 N ATOM 1091 NH2 ARG A 68 -7.502 -13.354 -13.587 1.00 74.44 N ATOM 0 H ARG A 68 -4.312 -10.892 -9.551 1.00 51.42 H new ATOM 0 HA ARG A 68 -5.060 -8.231 -9.833 1.00 51.13 H new ATOM 0 HB2 ARG A 68 -5.936 -10.851 -10.687 1.00 4.20 H new ATOM 0 HB3 ARG A 68 -7.341 -9.911 -10.222 1.00 4.20 H new ATOM 0 HG2 ARG A 68 -7.197 -8.580 -12.043 1.00 62.34 H new ATOM 0 HG3 ARG A 68 -5.471 -8.344 -11.849 1.00 62.34 H new ATOM 0 HD2 ARG A 68 -6.143 -9.538 -13.976 1.00 13.21 H new ATOM 0 HD3 ARG A 68 -4.953 -10.384 -13.006 1.00 13.21 H new ATOM 0 HE ARG A 68 -7.680 -11.197 -12.361 1.00 63.03 H new ATOM 0 HH11 ARG A 68 -4.971 -11.633 -14.583 1.00 53.24 H new ATOM 0 HH12 ARG A 68 -5.464 -13.264 -15.048 1.00 53.24 H new ATOM 0 HH21 ARG A 68 -8.305 -13.293 -12.961 1.00 74.44 H new ATOM 0 HH22 ARG A 68 -7.344 -14.200 -14.134 1.00 74.44 H new ATOM 1105 N LYS A 69 -6.815 -9.846 -7.537 1.00 64.22 N ATOM 1106 CA LYS A 69 -7.682 -9.659 -6.380 1.00 62.21 C ATOM 1107 C LYS A 69 -6.961 -8.889 -5.278 1.00 64.53 C ATOM 1108 O LYS A 69 -7.555 -8.050 -4.602 1.00 41.40 O ATOM 1109 CB LYS A 69 -8.153 -11.014 -5.846 1.00 12.30 C ATOM 1110 CG LYS A 69 -7.017 -11.968 -5.521 1.00 72.23 C ATOM 1111 CD LYS A 69 -7.536 -13.282 -4.960 1.00 44.25 C ATOM 1112 CE LYS A 69 -7.972 -13.135 -3.511 1.00 21.42 C ATOM 1113 NZ LYS A 69 -8.298 -14.451 -2.894 1.00 61.11 N ATOM 0 H LYS A 69 -6.574 -10.818 -7.730 1.00 64.22 H new ATOM 0 HA LYS A 69 -8.549 -9.079 -6.697 1.00 62.21 H new ATOM 0 HB2 LYS A 69 -8.750 -10.854 -4.948 1.00 12.30 H new ATOM 0 HB3 LYS A 69 -8.807 -11.479 -6.584 1.00 12.30 H new ATOM 0 HG2 LYS A 69 -6.434 -12.161 -6.421 1.00 72.23 H new ATOM 0 HG3 LYS A 69 -6.345 -11.503 -4.799 1.00 72.23 H new ATOM 0 HD2 LYS A 69 -8.377 -13.629 -5.561 1.00 44.25 H new ATOM 0 HD3 LYS A 69 -6.758 -14.042 -5.032 1.00 44.25 H new ATOM 0 HE2 LYS A 69 -7.179 -12.653 -2.940 1.00 21.42 H new ATOM 0 HE3 LYS A 69 -8.844 -12.483 -3.458 1.00 21.42 H new ATOM 0 HZ1 LYS A 69 -8.591 -14.308 -1.906 1.00 61.11 H new ATOM 0 HZ2 LYS A 69 -9.072 -14.900 -3.423 1.00 61.11 H new ATOM 0 HZ3 LYS A 69 -7.459 -15.065 -2.921 1.00 61.11 H new ATOM 1127 N LYS A 70 -5.676 -9.180 -5.104 1.00 1.04 N ATOM 1128 CA LYS A 70 -4.872 -8.514 -4.086 1.00 2.40 C ATOM 1129 C LYS A 70 -4.882 -7.002 -4.288 1.00 42.24 C ATOM 1130 O LYS A 70 -5.180 -6.244 -3.365 1.00 41.24 O ATOM 1131 CB LYS A 70 -3.433 -9.034 -4.122 1.00 32.22 C ATOM 1132 CG LYS A 70 -2.574 -8.526 -2.977 1.00 43.33 C ATOM 1133 CD LYS A 70 -3.075 -9.033 -1.635 1.00 50.25 C ATOM 1134 CE LYS A 70 -2.987 -10.549 -1.544 1.00 50.53 C ATOM 1135 NZ LYS A 70 -3.053 -11.024 -0.135 1.00 34.23 N ATOM 0 H LYS A 70 -5.169 -9.873 -5.655 1.00 1.04 H new ATOM 0 HA LYS A 70 -5.308 -8.736 -3.112 1.00 2.40 H new ATOM 0 HB2 LYS A 70 -3.449 -10.124 -4.098 1.00 32.22 H new ATOM 0 HB3 LYS A 70 -2.974 -8.743 -5.067 1.00 32.22 H new ATOM 0 HG2 LYS A 70 -1.543 -8.846 -3.125 1.00 43.33 H new ATOM 0 HG3 LYS A 70 -2.573 -7.436 -2.978 1.00 43.33 H new ATOM 0 HD2 LYS A 70 -2.488 -8.585 -0.833 1.00 50.25 H new ATOM 0 HD3 LYS A 70 -4.108 -8.718 -1.488 1.00 50.25 H new ATOM 0 HE2 LYS A 70 -3.800 -10.995 -2.116 1.00 50.53 H new ATOM 0 HE3 LYS A 70 -2.055 -10.887 -1.998 1.00 50.53 H new ATOM 0 HZ1 LYS A 70 -2.990 -12.062 -0.115 1.00 34.23 H new ATOM 0 HZ2 LYS A 70 -2.262 -10.619 0.405 1.00 34.23 H new ATOM 0 HZ3 LYS A 70 -3.953 -10.724 0.291 1.00 34.23 H new ATOM 1149 N VAL A 71 -4.555 -6.570 -5.502 1.00 54.44 N ATOM 1150 CA VAL A 71 -4.529 -5.148 -5.827 1.00 35.44 C ATOM 1151 C VAL A 71 -5.936 -4.560 -5.831 1.00 1.14 C ATOM 1152 O VAL A 71 -6.133 -3.395 -5.484 1.00 73.14 O ATOM 1153 CB VAL A 71 -3.876 -4.897 -7.198 1.00 61.45 C ATOM 1154 CG1 VAL A 71 -2.424 -5.352 -7.190 1.00 34.12 C ATOM 1155 CG2 VAL A 71 -4.657 -5.602 -8.297 1.00 52.13 C ATOM 0 H VAL A 71 -4.304 -7.184 -6.277 1.00 54.44 H new ATOM 0 HA VAL A 71 -3.935 -4.658 -5.056 1.00 35.44 H new ATOM 0 HB VAL A 71 -3.895 -3.826 -7.399 1.00 61.45 H new ATOM 0 HG11 VAL A 71 -1.979 -5.167 -8.168 1.00 34.12 H new ATOM 0 HG12 VAL A 71 -1.873 -4.798 -6.430 1.00 34.12 H new ATOM 0 HG13 VAL A 71 -2.378 -6.418 -6.967 1.00 34.12 H new ATOM 0 HG21 VAL A 71 -4.181 -5.414 -9.259 1.00 52.13 H new ATOM 0 HG22 VAL A 71 -4.671 -6.674 -8.103 1.00 52.13 H new ATOM 0 HG23 VAL A 71 -5.679 -5.224 -8.317 1.00 52.13 H new ATOM 1165 N ARG A 72 -6.910 -5.373 -6.224 1.00 75.13 N ATOM 1166 CA ARG A 72 -8.299 -4.933 -6.274 1.00 55.12 C ATOM 1167 C ARG A 72 -8.769 -4.459 -4.902 1.00 32.01 C ATOM 1168 O ARG A 72 -9.269 -3.344 -4.758 1.00 34.10 O ATOM 1169 CB ARG A 72 -9.199 -6.067 -6.769 1.00 63.13 C ATOM 1170 CG ARG A 72 -9.942 -5.739 -8.054 1.00 2.41 C ATOM 1171 CD ARG A 72 -8.985 -5.571 -9.224 1.00 2.03 C ATOM 1172 NE ARG A 72 -9.626 -5.868 -10.502 1.00 44.30 N ATOM 1173 CZ ARG A 72 -9.866 -7.100 -10.935 1.00 61.31 C ATOM 1174 NH1 ARG A 72 -9.521 -8.145 -10.196 1.00 24.33 N ATOM 1175 NH2 ARG A 72 -10.453 -7.290 -12.110 1.00 12.52 N ATOM 0 H ARG A 72 -6.763 -6.340 -6.513 1.00 75.13 H new ATOM 0 HA ARG A 72 -8.363 -4.097 -6.970 1.00 55.12 H new ATOM 0 HB2 ARG A 72 -8.592 -6.958 -6.928 1.00 63.13 H new ATOM 0 HB3 ARG A 72 -9.924 -6.310 -5.992 1.00 63.13 H new ATOM 0 HG2 ARG A 72 -10.654 -6.533 -8.276 1.00 2.41 H new ATOM 0 HG3 ARG A 72 -10.518 -4.823 -7.919 1.00 2.41 H new ATOM 0 HD2 ARG A 72 -8.605 -4.549 -9.238 1.00 2.03 H new ATOM 0 HD3 ARG A 72 -8.127 -6.229 -9.088 1.00 2.03 H new ATOM 0 HE ARG A 72 -9.905 -5.086 -11.095 1.00 44.30 H new ATOM 0 HH11 ARG A 72 -9.070 -8.004 -9.292 1.00 24.33 H new ATOM 0 HH12 ARG A 72 -9.707 -9.090 -10.531 1.00 24.33 H new ATOM 0 HH21 ARG A 72 -10.720 -6.489 -12.682 1.00 12.52 H new ATOM 0 HH22 ARG A 72 -10.637 -8.237 -12.441 1.00 12.52 H new ATOM 1189 N GLU A 73 -8.605 -5.315 -3.898 1.00 4.53 N ATOM 1190 CA GLU A 73 -9.013 -4.983 -2.538 1.00 14.11 C ATOM 1191 C GLU A 73 -8.068 -3.956 -1.921 1.00 31.13 C ATOM 1192 O GLU A 73 -8.488 -3.094 -1.148 1.00 43.04 O ATOM 1193 CB GLU A 73 -9.051 -6.243 -1.671 1.00 70.42 C ATOM 1194 CG GLU A 73 -7.694 -6.906 -1.501 1.00 11.53 C ATOM 1195 CD GLU A 73 -7.765 -8.179 -0.680 1.00 52.23 C ATOM 1196 OE1 GLU A 73 -8.753 -8.928 -0.834 1.00 24.14 O ATOM 1197 OE2 GLU A 73 -6.835 -8.426 0.115 1.00 44.24 O ATOM 0 H GLU A 73 -8.193 -6.242 -4.001 1.00 4.53 H new ATOM 0 HA GLU A 73 -10.013 -4.551 -2.582 1.00 14.11 H new ATOM 0 HB2 GLU A 73 -9.446 -5.986 -0.688 1.00 70.42 H new ATOM 0 HB3 GLU A 73 -9.743 -6.959 -2.115 1.00 70.42 H new ATOM 0 HG2 GLU A 73 -7.280 -7.134 -2.483 1.00 11.53 H new ATOM 0 HG3 GLU A 73 -7.010 -6.206 -1.021 1.00 11.53 H new ATOM 1204 N LYS A 74 -6.789 -4.055 -2.267 1.00 31.34 N ATOM 1205 CA LYS A 74 -5.782 -3.136 -1.749 1.00 35.33 C ATOM 1206 C LYS A 74 -6.081 -1.704 -2.178 1.00 52.45 C ATOM 1207 O LYS A 74 -6.134 -0.794 -1.350 1.00 25.51 O ATOM 1208 CB LYS A 74 -4.390 -3.546 -2.234 1.00 52.14 C ATOM 1209 CG LYS A 74 -3.262 -2.787 -1.558 1.00 12.53 C ATOM 1210 CD LYS A 74 -3.071 -3.238 -0.119 1.00 45.54 C ATOM 1211 CE LYS A 74 -2.526 -4.656 -0.048 1.00 33.01 C ATOM 1212 NZ LYS A 74 -1.249 -4.799 -0.801 1.00 15.22 N ATOM 0 H LYS A 74 -6.425 -4.763 -2.905 1.00 31.34 H new ATOM 0 HA LYS A 74 -5.808 -3.183 -0.660 1.00 35.33 H new ATOM 0 HB2 LYS A 74 -4.254 -4.613 -2.060 1.00 52.14 H new ATOM 0 HB3 LYS A 74 -4.329 -3.388 -3.311 1.00 52.14 H new ATOM 0 HG2 LYS A 74 -2.336 -2.938 -2.114 1.00 12.53 H new ATOM 0 HG3 LYS A 74 -3.477 -1.719 -1.580 1.00 12.53 H new ATOM 0 HD2 LYS A 74 -2.387 -2.558 0.389 1.00 45.54 H new ATOM 0 HD3 LYS A 74 -4.023 -3.186 0.409 1.00 45.54 H new ATOM 0 HE2 LYS A 74 -2.365 -4.931 0.994 1.00 33.01 H new ATOM 0 HE3 LYS A 74 -3.264 -5.349 -0.451 1.00 33.01 H new ATOM 0 HZ1 LYS A 74 -0.741 -5.643 -0.466 1.00 15.22 H new ATOM 0 HZ2 LYS A 74 -1.454 -4.898 -1.816 1.00 15.22 H new ATOM 0 HZ3 LYS A 74 -0.659 -3.956 -0.647 1.00 15.22 H new ATOM 1226 N PHE A 75 -6.278 -1.509 -3.478 1.00 61.43 N ATOM 1227 CA PHE A 75 -6.572 -0.187 -4.018 1.00 12.12 C ATOM 1228 C PHE A 75 -7.974 0.264 -3.617 1.00 42.24 C ATOM 1229 O PHE A 75 -8.212 1.449 -3.381 1.00 34.42 O ATOM 1230 CB PHE A 75 -6.443 -0.194 -5.542 1.00 63.44 C ATOM 1231 CG PHE A 75 -7.763 -0.137 -6.256 1.00 61.14 C ATOM 1232 CD1 PHE A 75 -8.347 1.081 -6.564 1.00 2.21 C ATOM 1233 CD2 PHE A 75 -8.420 -1.301 -6.621 1.00 24.53 C ATOM 1234 CE1 PHE A 75 -9.562 1.137 -7.220 1.00 61.41 C ATOM 1235 CE2 PHE A 75 -9.635 -1.252 -7.278 1.00 22.45 C ATOM 1236 CZ PHE A 75 -10.206 -0.032 -7.579 1.00 11.55 C ATOM 0 H PHE A 75 -6.239 -2.251 -4.177 1.00 61.43 H new ATOM 0 HA PHE A 75 -5.850 0.516 -3.603 1.00 12.12 H new ATOM 0 HB2 PHE A 75 -5.835 0.656 -5.851 1.00 63.44 H new ATOM 0 HB3 PHE A 75 -5.911 -1.095 -5.849 1.00 63.44 H new ATOM 0 HD1 PHE A 75 -7.847 1.998 -6.288 1.00 2.21 H new ATOM 0 HD2 PHE A 75 -7.977 -2.258 -6.389 1.00 24.53 H new ATOM 0 HE1 PHE A 75 -10.008 2.093 -7.452 1.00 61.41 H new ATOM 0 HE2 PHE A 75 -10.137 -2.167 -7.555 1.00 22.45 H new ATOM 0 HZ PHE A 75 -11.154 0.009 -8.094 1.00 11.55 H new ATOM 1246 N ASP A 76 -8.897 -0.688 -3.544 1.00 61.23 N ATOM 1247 CA ASP A 76 -10.275 -0.390 -3.172 1.00 71.33 C ATOM 1248 C ASP A 76 -10.343 0.200 -1.767 1.00 73.31 C ATOM 1249 O ASP A 76 -10.976 1.232 -1.548 1.00 1.02 O ATOM 1250 CB ASP A 76 -11.132 -1.655 -3.250 1.00 24.21 C ATOM 1251 CG ASP A 76 -12.445 -1.512 -2.506 1.00 4.24 C ATOM 1252 OD1 ASP A 76 -13.427 -1.044 -3.119 1.00 42.11 O ATOM 1253 OD2 ASP A 76 -12.490 -1.868 -1.310 1.00 32.41 O ATOM 0 H ASP A 76 -8.716 -1.673 -3.738 1.00 61.23 H new ATOM 0 HA ASP A 76 -10.664 0.347 -3.875 1.00 71.33 H new ATOM 0 HB2 ASP A 76 -11.334 -1.890 -4.295 1.00 24.21 H new ATOM 0 HB3 ASP A 76 -10.573 -2.495 -2.837 1.00 24.21 H new ATOM 1258 N GLU A 77 -9.688 -0.464 -0.820 1.00 34.14 N ATOM 1259 CA GLU A 77 -9.677 -0.005 0.565 1.00 71.54 C ATOM 1260 C GLU A 77 -8.867 1.280 0.705 1.00 0.02 C ATOM 1261 O GLU A 77 -9.323 2.250 1.308 1.00 2.44 O ATOM 1262 CB GLU A 77 -9.100 -1.088 1.479 1.00 4.21 C ATOM 1263 CG GLU A 77 -9.919 -2.367 1.500 1.00 23.44 C ATOM 1264 CD GLU A 77 -11.117 -2.277 2.425 1.00 73.41 C ATOM 1265 OE1 GLU A 77 -10.914 -2.185 3.653 1.00 11.14 O ATOM 1266 OE2 GLU A 77 -12.259 -2.299 1.919 1.00 60.31 O ATOM 0 H GLU A 77 -9.159 -1.320 -0.986 1.00 34.14 H new ATOM 0 HA GLU A 77 -10.705 0.201 0.862 1.00 71.54 H new ATOM 0 HB2 GLU A 77 -8.086 -1.322 1.156 1.00 4.21 H new ATOM 0 HB3 GLU A 77 -9.029 -0.695 2.493 1.00 4.21 H new ATOM 0 HG2 GLU A 77 -10.261 -2.592 0.490 1.00 23.44 H new ATOM 0 HG3 GLU A 77 -9.284 -3.196 1.813 1.00 23.44 H new ATOM 1273 N ASN A 78 -7.662 1.278 0.144 1.00 72.40 N ATOM 1274 CA ASN A 78 -6.787 2.443 0.207 1.00 32.33 C ATOM 1275 C ASN A 78 -7.511 3.694 -0.280 1.00 73.01 C ATOM 1276 O ASN A 78 -7.326 4.783 0.264 1.00 63.52 O ATOM 1277 CB ASN A 78 -5.530 2.208 -0.632 1.00 5.11 C ATOM 1278 CG ASN A 78 -4.516 3.326 -0.480 1.00 30.14 C ATOM 1279 OD1 ASN A 78 -4.265 4.083 -1.417 1.00 51.31 O ATOM 1280 ND2 ASN A 78 -3.928 3.433 0.706 1.00 2.41 N ATOM 0 H ASN A 78 -7.269 0.483 -0.359 1.00 72.40 H new ATOM 0 HA ASN A 78 -6.498 2.594 1.247 1.00 32.33 H new ATOM 0 HB2 ASN A 78 -5.072 1.263 -0.339 1.00 5.11 H new ATOM 0 HB3 ASN A 78 -5.809 2.115 -1.681 1.00 5.11 H new ATOM 0 HD21 ASN A 78 -3.237 4.166 0.868 1.00 2.41 H new ATOM 0 HD22 ASN A 78 -4.167 2.783 1.454 1.00 2.41 H new ATOM 1287 N SER A 79 -8.337 3.530 -1.308 1.00 54.25 N ATOM 1288 CA SER A 79 -9.087 4.647 -1.872 1.00 34.32 C ATOM 1289 C SER A 79 -10.251 5.033 -0.963 1.00 44.23 C ATOM 1290 O SER A 79 -10.496 6.215 -0.720 1.00 33.32 O ATOM 1291 CB SER A 79 -9.610 4.287 -3.264 1.00 34.33 C ATOM 1292 OG SER A 79 -10.655 3.333 -3.185 1.00 33.31 O ATOM 0 H SER A 79 -8.504 2.635 -1.768 1.00 54.25 H new ATOM 0 HA SER A 79 -8.414 5.500 -1.954 1.00 34.32 H new ATOM 0 HB2 SER A 79 -9.971 5.186 -3.764 1.00 34.33 H new ATOM 0 HB3 SER A 79 -8.796 3.890 -3.870 1.00 34.33 H new ATOM 0 HG SER A 79 -10.415 2.638 -2.537 1.00 33.31 H new ATOM 1298 N ARG A 80 -10.963 4.028 -0.465 1.00 12.10 N ATOM 1299 CA ARG A 80 -12.101 4.261 0.416 1.00 54.44 C ATOM 1300 C ARG A 80 -11.636 4.707 1.799 1.00 53.53 C ATOM 1301 O ARG A 80 -12.446 5.092 2.642 1.00 4.41 O ATOM 1302 CB ARG A 80 -12.949 2.994 0.535 1.00 32.32 C ATOM 1303 CG ARG A 80 -12.525 2.082 1.675 1.00 4.31 C ATOM 1304 CD ARG A 80 -13.347 2.338 2.928 1.00 31.44 C ATOM 1305 NE ARG A 80 -13.659 1.101 3.640 1.00 72.14 N ATOM 1306 CZ ARG A 80 -14.303 1.063 4.801 1.00 54.43 C ATOM 1307 NH1 ARG A 80 -14.702 2.188 5.378 1.00 0.31 N ATOM 1308 NH2 ARG A 80 -14.551 -0.101 5.386 1.00 25.44 N ATOM 0 H ARG A 80 -10.772 3.044 -0.656 1.00 12.10 H new ATOM 0 HA ARG A 80 -12.707 5.056 -0.018 1.00 54.44 H new ATOM 0 HB2 ARG A 80 -13.992 3.277 0.676 1.00 32.32 H new ATOM 0 HB3 ARG A 80 -12.893 2.440 -0.402 1.00 32.32 H new ATOM 0 HG2 ARG A 80 -12.638 1.041 1.371 1.00 4.31 H new ATOM 0 HG3 ARG A 80 -11.469 2.238 1.893 1.00 4.31 H new ATOM 0 HD2 ARG A 80 -12.800 3.009 3.590 1.00 31.44 H new ATOM 0 HD3 ARG A 80 -14.274 2.844 2.657 1.00 31.44 H new ATOM 0 HE ARG A 80 -13.366 0.218 3.222 1.00 72.14 H new ATOM 0 HH11 ARG A 80 -14.515 3.085 4.930 1.00 0.31 H new ATOM 0 HH12 ARG A 80 -15.196 2.156 6.270 1.00 0.31 H new ATOM 0 HH21 ARG A 80 -14.247 -0.969 4.944 1.00 25.44 H new ATOM 0 HH22 ARG A 80 -15.046 -0.129 6.278 1.00 25.44 H new ATOM 1322 N MET A 81 -10.328 4.652 2.024 1.00 44.03 N ATOM 1323 CA MET A 81 -9.755 5.051 3.304 1.00 31.02 C ATOM 1324 C MET A 81 -10.454 6.292 3.849 1.00 12.51 C ATOM 1325 O MET A 81 -10.910 7.143 3.086 1.00 41.52 O ATOM 1326 CB MET A 81 -8.256 5.319 3.156 1.00 53.24 C ATOM 1327 CG MET A 81 -7.401 4.068 3.272 1.00 4.31 C ATOM 1328 SD MET A 81 -7.416 3.368 4.934 1.00 54.24 S ATOM 1329 CE MET A 81 -8.370 1.876 4.663 1.00 11.43 C ATOM 0 H MET A 81 -9.644 4.335 1.337 1.00 44.03 H new ATOM 0 HA MET A 81 -9.902 4.233 4.010 1.00 31.02 H new ATOM 0 HB2 MET A 81 -8.073 5.786 2.188 1.00 53.24 H new ATOM 0 HB3 MET A 81 -7.946 6.033 3.919 1.00 53.24 H new ATOM 0 HG2 MET A 81 -7.759 3.321 2.564 1.00 4.31 H new ATOM 0 HG3 MET A 81 -6.375 4.307 2.992 1.00 4.31 H new ATOM 0 HE1 MET A 81 -8.913 1.621 5.573 1.00 11.43 H new ATOM 0 HE2 MET A 81 -9.079 2.040 3.852 1.00 11.43 H new ATOM 0 HE3 MET A 81 -7.699 1.058 4.399 1.00 11.43 H new ATOM 1339 N GLN A 82 -10.535 6.388 5.172 1.00 2.03 N ATOM 1340 CA GLN A 82 -11.180 7.525 5.818 1.00 44.54 C ATOM 1341 C GLN A 82 -10.628 8.841 5.279 1.00 2.53 C ATOM 1342 O GLN A 82 -9.554 8.876 4.678 1.00 2.33 O ATOM 1343 CB GLN A 82 -10.983 7.458 7.333 1.00 4.00 C ATOM 1344 CG GLN A 82 -11.560 6.202 7.966 1.00 1.43 C ATOM 1345 CD GLN A 82 -11.681 6.312 9.473 1.00 21.45 C ATOM 1346 OE1 GLN A 82 -10.739 6.716 10.156 1.00 52.43 O ATOM 1347 NE2 GLN A 82 -12.844 5.950 10.002 1.00 53.30 N ATOM 0 H GLN A 82 -10.162 5.692 5.818 1.00 2.03 H new ATOM 0 HA GLN A 82 -12.246 7.480 5.596 1.00 44.54 H new ATOM 0 HB2 GLN A 82 -9.917 7.510 7.555 1.00 4.00 H new ATOM 0 HB3 GLN A 82 -11.447 8.332 7.791 1.00 4.00 H new ATOM 0 HG2 GLN A 82 -12.543 6.004 7.540 1.00 1.43 H new ATOM 0 HG3 GLN A 82 -10.927 5.350 7.717 1.00 1.43 H new ATOM 0 HE21 GLN A 82 -13.598 5.621 9.399 1.00 53.30 H new ATOM 0 HE22 GLN A 82 -12.983 6.001 11.011 1.00 53.30 H new ATOM 1356 N TYR A 83 -11.369 9.922 5.498 1.00 32.44 N ATOM 1357 CA TYR A 83 -10.955 11.240 5.033 1.00 74.12 C ATOM 1358 C TYR A 83 -9.715 11.718 5.782 1.00 70.33 C ATOM 1359 O TYR A 83 -8.850 12.383 5.212 1.00 31.00 O ATOM 1360 CB TYR A 83 -12.092 12.247 5.212 1.00 55.31 C ATOM 1361 CG TYR A 83 -12.428 13.013 3.952 1.00 64.54 C ATOM 1362 CD1 TYR A 83 -11.525 13.915 3.402 1.00 33.04 C ATOM 1363 CD2 TYR A 83 -13.647 12.832 3.310 1.00 44.15 C ATOM 1364 CE1 TYR A 83 -11.828 14.617 2.252 1.00 61.23 C ATOM 1365 CE2 TYR A 83 -13.957 13.528 2.157 1.00 11.55 C ATOM 1366 CZ TYR A 83 -13.045 14.420 1.633 1.00 63.12 C ATOM 1367 OH TYR A 83 -13.349 15.116 0.485 1.00 12.05 O ATOM 0 H TYR A 83 -12.260 9.911 5.995 1.00 32.44 H new ATOM 0 HA TYR A 83 -10.710 11.163 3.974 1.00 74.12 H new ATOM 0 HB2 TYR A 83 -12.982 11.720 5.555 1.00 55.31 H new ATOM 0 HB3 TYR A 83 -11.819 12.954 5.995 1.00 55.31 H new ATOM 0 HD1 TYR A 83 -10.570 14.070 3.882 1.00 33.04 H new ATOM 0 HD2 TYR A 83 -14.364 12.136 3.719 1.00 44.15 H new ATOM 0 HE1 TYR A 83 -11.116 15.316 1.839 1.00 61.23 H new ATOM 0 HE2 TYR A 83 -14.908 13.374 1.669 1.00 11.55 H new ATOM 0 HH TYR A 83 -14.243 14.861 0.175 1.00 12.05 H new ATOM 1377 N SER A 84 -9.636 11.372 7.063 1.00 43.42 N ATOM 1378 CA SER A 84 -8.504 11.768 7.892 1.00 25.23 C ATOM 1379 C SER A 84 -7.192 11.268 7.295 1.00 24.00 C ATOM 1380 O SER A 84 -6.260 12.043 7.081 1.00 12.02 O ATOM 1381 CB SER A 84 -8.670 11.224 9.313 1.00 53.14 C ATOM 1382 OG SER A 84 -7.420 10.850 9.866 1.00 53.34 O ATOM 0 H SER A 84 -10.342 10.819 7.549 1.00 43.42 H new ATOM 0 HA SER A 84 -8.476 12.857 7.928 1.00 25.23 H new ATOM 0 HB2 SER A 84 -9.138 11.981 9.943 1.00 53.14 H new ATOM 0 HB3 SER A 84 -9.338 10.363 9.300 1.00 53.14 H new ATOM 0 HG SER A 84 -7.554 10.507 10.774 1.00 53.34 H new ATOM 1388 N GLU A 85 -7.128 9.967 7.028 1.00 3.15 N ATOM 1389 CA GLU A 85 -5.930 9.363 6.457 1.00 41.23 C ATOM 1390 C GLU A 85 -5.684 9.877 5.041 1.00 12.20 C ATOM 1391 O GLU A 85 -4.539 10.054 4.622 1.00 13.24 O ATOM 1392 CB GLU A 85 -6.058 7.839 6.442 1.00 24.54 C ATOM 1393 CG GLU A 85 -4.766 7.116 6.788 1.00 52.33 C ATOM 1394 CD GLU A 85 -4.592 6.915 8.280 1.00 23.45 C ATOM 1395 OE1 GLU A 85 -4.585 7.921 9.019 1.00 13.40 O ATOM 1396 OE2 GLU A 85 -4.462 5.749 8.710 1.00 43.02 O ATOM 0 H GLU A 85 -7.891 9.312 7.198 1.00 3.15 H new ATOM 0 HA GLU A 85 -5.081 9.643 7.080 1.00 41.23 H new ATOM 0 HB2 GLU A 85 -6.832 7.541 7.149 1.00 24.54 H new ATOM 0 HB3 GLU A 85 -6.389 7.520 5.454 1.00 24.54 H new ATOM 0 HG2 GLU A 85 -4.752 6.146 6.290 1.00 52.33 H new ATOM 0 HG3 GLU A 85 -3.921 7.685 6.401 1.00 52.33 H new ATOM 1403 N LEU A 86 -6.766 10.115 4.308 1.00 34.42 N ATOM 1404 CA LEU A 86 -6.670 10.608 2.939 1.00 70.13 C ATOM 1405 C LEU A 86 -6.070 12.010 2.906 1.00 61.21 C ATOM 1406 O LEU A 86 -5.216 12.311 2.072 1.00 75.21 O ATOM 1407 CB LEU A 86 -8.051 10.616 2.280 1.00 3.33 C ATOM 1408 CG LEU A 86 -8.113 10.093 0.845 1.00 51.22 C ATOM 1409 CD1 LEU A 86 -7.336 11.007 -0.090 1.00 73.14 C ATOM 1410 CD2 LEU A 86 -7.576 8.671 0.772 1.00 53.23 C ATOM 0 H LEU A 86 -7.720 9.974 4.639 1.00 34.42 H new ATOM 0 HA LEU A 86 -6.013 9.938 2.383 1.00 70.13 H new ATOM 0 HB2 LEU A 86 -8.727 10.019 2.892 1.00 3.33 H new ATOM 0 HB3 LEU A 86 -8.430 11.638 2.290 1.00 3.33 H new ATOM 0 HG LEU A 86 -9.155 10.083 0.527 1.00 51.22 H new ATOM 0 HD11 LEU A 86 -7.391 10.619 -1.107 1.00 73.14 H new ATOM 0 HD12 LEU A 86 -7.765 12.008 -0.060 1.00 73.14 H new ATOM 0 HD13 LEU A 86 -6.294 11.050 0.226 1.00 73.14 H new ATOM 0 HD21 LEU A 86 -7.628 8.315 -0.257 1.00 53.23 H new ATOM 0 HD22 LEU A 86 -6.540 8.656 1.110 1.00 53.23 H new ATOM 0 HD23 LEU A 86 -8.175 8.022 1.411 1.00 53.23 H new ATOM 1422 N MET A 87 -6.521 12.862 3.820 1.00 3.43 N ATOM 1423 CA MET A 87 -6.025 14.232 3.898 1.00 72.21 C ATOM 1424 C MET A 87 -4.723 14.295 4.690 1.00 61.35 C ATOM 1425 O MET A 87 -3.942 15.237 4.547 1.00 32.53 O ATOM 1426 CB MET A 87 -7.073 15.140 4.544 1.00 0.03 C ATOM 1427 CG MET A 87 -7.864 15.965 3.542 1.00 62.11 C ATOM 1428 SD MET A 87 -6.838 17.157 2.660 1.00 3.03 S ATOM 1429 CE MET A 87 -6.834 16.449 1.015 1.00 23.01 C ATOM 0 H MET A 87 -7.228 12.629 4.517 1.00 3.43 H new ATOM 0 HA MET A 87 -5.829 14.579 2.884 1.00 72.21 H new ATOM 0 HB2 MET A 87 -7.764 14.528 5.124 1.00 0.03 H new ATOM 0 HB3 MET A 87 -6.577 15.812 5.244 1.00 0.03 H new ATOM 0 HG2 MET A 87 -8.339 15.298 2.823 1.00 62.11 H new ATOM 0 HG3 MET A 87 -8.663 16.494 4.062 1.00 62.11 H new ATOM 0 HE1 MET A 87 -6.578 17.220 0.288 1.00 23.01 H new ATOM 0 HE2 MET A 87 -6.099 15.646 0.966 1.00 23.01 H new ATOM 0 HE3 MET A 87 -7.823 16.050 0.788 1.00 23.01 H new ATOM 1439 N THR A 88 -4.494 13.286 5.525 1.00 43.12 N ATOM 1440 CA THR A 88 -3.287 13.228 6.340 1.00 60.10 C ATOM 1441 C THR A 88 -2.085 12.787 5.512 1.00 33.54 C ATOM 1442 O THR A 88 -0.982 13.309 5.673 1.00 51.14 O ATOM 1443 CB THR A 88 -3.459 12.264 7.530 1.00 45.45 C ATOM 1444 OG1 THR A 88 -4.030 12.959 8.644 1.00 74.43 O ATOM 1445 CG2 THR A 88 -2.122 11.660 7.934 1.00 52.24 C ATOM 0 H THR A 88 -5.129 12.498 5.654 1.00 43.12 H new ATOM 0 HA THR A 88 -3.113 14.235 6.720 1.00 60.10 H new ATOM 0 HB THR A 88 -4.126 11.458 7.224 1.00 45.45 H new ATOM 0 HG1 THR A 88 -5.007 12.938 8.576 1.00 74.43 H new ATOM 0 HG21 THR A 88 -2.268 10.983 8.776 1.00 52.24 H new ATOM 0 HG22 THR A 88 -1.703 11.108 7.093 1.00 52.24 H new ATOM 0 HG23 THR A 88 -1.436 12.456 8.223 1.00 52.24 H new ATOM 1453 N LYS A 89 -2.305 11.821 4.626 1.00 15.41 N ATOM 1454 CA LYS A 89 -1.241 11.310 3.771 1.00 52.13 C ATOM 1455 C LYS A 89 -0.924 12.295 2.650 1.00 64.22 C ATOM 1456 O LYS A 89 0.054 12.126 1.921 1.00 4.30 O ATOM 1457 CB LYS A 89 -1.641 9.957 3.177 1.00 11.34 C ATOM 1458 CG LYS A 89 -0.643 8.849 3.464 1.00 72.32 C ATOM 1459 CD LYS A 89 -0.914 8.187 4.805 1.00 51.23 C ATOM 1460 CE LYS A 89 -0.160 8.879 5.930 1.00 41.11 C ATOM 1461 NZ LYS A 89 0.808 7.963 6.594 1.00 32.24 N ATOM 0 H LYS A 89 -3.212 11.376 4.482 1.00 15.41 H new ATOM 0 HA LYS A 89 -0.348 11.182 4.382 1.00 52.13 H new ATOM 0 HB2 LYS A 89 -2.615 9.669 3.573 1.00 11.34 H new ATOM 0 HB3 LYS A 89 -1.754 10.062 2.098 1.00 11.34 H new ATOM 0 HG2 LYS A 89 -0.690 8.101 2.672 1.00 72.32 H new ATOM 0 HG3 LYS A 89 0.368 9.258 3.457 1.00 72.32 H new ATOM 0 HD2 LYS A 89 -1.984 8.210 5.014 1.00 51.23 H new ATOM 0 HD3 LYS A 89 -0.621 7.138 4.760 1.00 51.23 H new ATOM 0 HE2 LYS A 89 0.372 9.744 5.533 1.00 41.11 H new ATOM 0 HE3 LYS A 89 -0.870 9.253 6.667 1.00 41.11 H new ATOM 0 HZ1 LYS A 89 1.302 8.472 7.355 1.00 32.24 H new ATOM 0 HZ2 LYS A 89 0.298 7.150 6.995 1.00 32.24 H new ATOM 0 HZ3 LYS A 89 1.502 7.626 5.896 1.00 32.24 H new ATOM 1475 N TYR A 90 -1.755 13.323 2.519 1.00 64.34 N ATOM 1476 CA TYR A 90 -1.563 14.334 1.486 1.00 64.11 C ATOM 1477 C TYR A 90 -1.119 15.659 2.097 1.00 1.41 C ATOM 1478 O TYR A 90 -0.334 16.399 1.502 1.00 15.33 O ATOM 1479 CB TYR A 90 -2.854 14.533 0.691 1.00 32.10 C ATOM 1480 CG TYR A 90 -2.839 15.760 -0.192 1.00 2.20 C ATOM 1481 CD1 TYR A 90 -2.072 15.797 -1.350 1.00 60.02 C ATOM 1482 CD2 TYR A 90 -3.590 16.883 0.132 1.00 1.12 C ATOM 1483 CE1 TYR A 90 -2.054 16.916 -2.160 1.00 11.32 C ATOM 1484 CE2 TYR A 90 -3.579 18.006 -0.672 1.00 52.12 C ATOM 1485 CZ TYR A 90 -2.810 18.018 -1.817 1.00 3.02 C ATOM 1486 OH TYR A 90 -2.795 19.135 -2.620 1.00 13.31 O ATOM 0 H TYR A 90 -2.568 13.478 3.115 1.00 64.34 H new ATOM 0 HA TYR A 90 -0.780 13.985 0.813 1.00 64.11 H new ATOM 0 HB2 TYR A 90 -3.029 13.653 0.072 1.00 32.10 H new ATOM 0 HB3 TYR A 90 -3.691 14.606 1.386 1.00 32.10 H new ATOM 0 HD1 TYR A 90 -1.479 14.936 -1.622 1.00 60.02 H new ATOM 0 HD2 TYR A 90 -4.193 16.878 1.028 1.00 1.12 H new ATOM 0 HE1 TYR A 90 -1.452 16.928 -3.056 1.00 11.32 H new ATOM 0 HE2 TYR A 90 -4.169 18.870 -0.406 1.00 52.12 H new ATOM 0 HH TYR A 90 -3.382 19.821 -2.238 1.00 13.31 H new ATOM 1496 N HIS A 91 -1.627 15.953 3.290 1.00 24.21 N ATOM 1497 CA HIS A 91 -1.283 17.189 3.984 1.00 23.44 C ATOM 1498 C HIS A 91 -0.132 16.961 4.961 1.00 54.24 C ATOM 1499 O HIS A 91 0.602 17.890 5.296 1.00 4.24 O ATOM 1500 CB HIS A 91 -2.500 17.735 4.731 1.00 71.21 C ATOM 1501 CG HIS A 91 -2.227 19.007 5.473 1.00 63.12 C ATOM 1502 ND1 HIS A 91 -1.920 20.194 4.843 1.00 43.42 N ATOM 1503 CD2 HIS A 91 -2.217 19.273 6.800 1.00 52.32 C ATOM 1504 CE1 HIS A 91 -1.731 21.136 5.750 1.00 34.23 C ATOM 1505 NE2 HIS A 91 -1.907 20.603 6.946 1.00 25.10 N ATOM 0 H HIS A 91 -2.278 15.352 3.796 1.00 24.21 H new ATOM 0 HA HIS A 91 -0.966 17.919 3.239 1.00 23.44 H new ATOM 0 HB2 HIS A 91 -3.307 17.906 4.018 1.00 71.21 H new ATOM 0 HB3 HIS A 91 -2.852 16.981 5.436 1.00 71.21 H new ATOM 0 HD2 HIS A 91 -2.416 18.570 7.596 1.00 52.32 H new ATOM 0 HE1 HIS A 91 -1.476 22.166 5.548 1.00 34.23 H new ATOM 0 HE2 HIS A 91 -1.826 21.099 7.834 1.00 25.10 H new ATOM 1513 N ASP A 92 0.017 15.721 5.413 1.00 50.14 N ATOM 1514 CA ASP A 92 1.078 15.372 6.350 1.00 31.51 C ATOM 1515 C ASP A 92 2.256 14.730 5.623 1.00 35.54 C ATOM 1516 O ASP A 92 3.399 15.165 5.766 1.00 20.32 O ATOM 1517 CB ASP A 92 0.546 14.421 7.424 1.00 0.42 C ATOM 1518 CG ASP A 92 1.097 14.737 8.801 1.00 51.32 C ATOM 1519 OD1 ASP A 92 0.951 15.895 9.247 1.00 20.44 O ATOM 1520 OD2 ASP A 92 1.673 13.827 9.432 1.00 61.00 O ATOM 0 H ASP A 92 -0.583 14.941 5.146 1.00 50.14 H new ATOM 0 HA ASP A 92 1.425 16.289 6.826 1.00 31.51 H new ATOM 0 HB2 ASP A 92 -0.542 14.478 7.449 1.00 0.42 H new ATOM 0 HB3 ASP A 92 0.805 13.396 7.158 1.00 0.42 H new ATOM 1525 N LEU A 93 1.969 13.692 4.845 1.00 40.02 N ATOM 1526 CA LEU A 93 3.005 12.988 4.096 1.00 55.52 C ATOM 1527 C LEU A 93 3.719 13.934 3.135 1.00 31.40 C ATOM 1528 O LEU A 93 4.822 13.646 2.669 1.00 11.45 O ATOM 1529 CB LEU A 93 2.395 11.819 3.320 1.00 3.23 C ATOM 1530 CG LEU A 93 3.137 10.486 3.424 1.00 40.02 C ATOM 1531 CD1 LEU A 93 4.568 10.632 2.931 1.00 63.21 C ATOM 1532 CD2 LEU A 93 3.114 9.973 4.856 1.00 30.32 C ATOM 0 H LEU A 93 1.028 13.319 4.716 1.00 40.02 H new ATOM 0 HA LEU A 93 3.735 12.602 4.807 1.00 55.52 H new ATOM 0 HB2 LEU A 93 1.373 11.671 3.668 1.00 3.23 H new ATOM 0 HB3 LEU A 93 2.336 12.098 2.268 1.00 3.23 H new ATOM 0 HG LEU A 93 2.629 9.759 2.791 1.00 40.02 H new ATOM 0 HD11 LEU A 93 5.080 9.673 3.013 1.00 63.21 H new ATOM 0 HD12 LEU A 93 4.563 10.953 1.889 1.00 63.21 H new ATOM 0 HD13 LEU A 93 5.088 11.374 3.537 1.00 63.21 H new ATOM 0 HD21 LEU A 93 3.647 9.024 4.911 1.00 30.32 H new ATOM 0 HD22 LEU A 93 3.597 10.699 5.510 1.00 30.32 H new ATOM 0 HD23 LEU A 93 2.082 9.829 5.174 1.00 30.32 H new ATOM 1544 N LYS A 94 3.084 15.064 2.843 1.00 32.35 N ATOM 1545 CA LYS A 94 3.659 16.054 1.941 1.00 12.21 C ATOM 1546 C LYS A 94 4.919 16.670 2.541 1.00 71.02 C ATOM 1547 O LYS A 94 5.694 17.326 1.845 1.00 51.04 O ATOM 1548 CB LYS A 94 2.637 17.152 1.638 1.00 73.15 C ATOM 1549 CG LYS A 94 1.969 17.722 2.877 1.00 25.55 C ATOM 1550 CD LYS A 94 2.476 19.119 3.191 1.00 50.40 C ATOM 1551 CE LYS A 94 3.623 19.086 4.189 1.00 31.34 C ATOM 1552 NZ LYS A 94 3.527 20.192 5.181 1.00 5.33 N ATOM 0 H LYS A 94 2.170 15.317 3.219 1.00 32.35 H new ATOM 0 HA LYS A 94 3.928 15.550 1.013 1.00 12.21 H new ATOM 0 HB2 LYS A 94 3.133 17.959 1.099 1.00 73.15 H new ATOM 0 HB3 LYS A 94 1.871 16.750 0.975 1.00 73.15 H new ATOM 0 HG2 LYS A 94 0.889 17.751 2.729 1.00 25.55 H new ATOM 0 HG3 LYS A 94 2.157 17.066 3.727 1.00 25.55 H new ATOM 0 HD2 LYS A 94 2.807 19.602 2.272 1.00 50.40 H new ATOM 0 HD3 LYS A 94 1.661 19.721 3.592 1.00 50.40 H new ATOM 0 HE2 LYS A 94 3.623 18.129 4.711 1.00 31.34 H new ATOM 0 HE3 LYS A 94 4.571 19.158 3.655 1.00 31.34 H new ATOM 0 HZ1 LYS A 94 4.479 20.442 5.516 1.00 5.33 H new ATOM 0 HZ2 LYS A 94 3.088 21.022 4.734 1.00 5.33 H new ATOM 0 HZ3 LYS A 94 2.946 19.886 5.987 1.00 5.33 H new ATOM 1566 N LYS A 95 5.119 16.453 3.836 1.00 13.44 N ATOM 1567 CA LYS A 95 6.286 16.984 4.530 1.00 1.32 C ATOM 1568 C LYS A 95 7.575 16.539 3.846 1.00 33.13 C ATOM 1569 O LYS A 95 8.508 17.326 3.690 1.00 70.45 O ATOM 1570 CB LYS A 95 6.288 16.528 5.991 1.00 12.41 C ATOM 1571 CG LYS A 95 7.538 16.932 6.753 1.00 43.21 C ATOM 1572 CD LYS A 95 7.761 18.434 6.703 1.00 12.52 C ATOM 1573 CE LYS A 95 6.622 19.189 7.372 1.00 53.05 C ATOM 1574 NZ LYS A 95 7.000 20.593 7.693 1.00 12.01 N ATOM 0 H LYS A 95 4.487 15.912 4.427 1.00 13.44 H new ATOM 0 HA LYS A 95 6.234 18.072 4.496 1.00 1.32 H new ATOM 0 HB2 LYS A 95 5.415 16.945 6.494 1.00 12.41 H new ATOM 0 HB3 LYS A 95 6.187 15.443 6.024 1.00 12.41 H new ATOM 0 HG2 LYS A 95 7.452 16.610 7.791 1.00 43.21 H new ATOM 0 HG3 LYS A 95 8.403 16.421 6.331 1.00 43.21 H new ATOM 0 HD2 LYS A 95 8.701 18.680 7.196 1.00 12.52 H new ATOM 0 HD3 LYS A 95 7.852 18.755 5.665 1.00 12.52 H new ATOM 0 HE2 LYS A 95 5.751 19.188 6.716 1.00 53.05 H new ATOM 0 HE3 LYS A 95 6.332 18.673 8.287 1.00 53.05 H new ATOM 0 HZ1 LYS A 95 6.197 21.073 8.147 1.00 12.01 H new ATOM 0 HZ2 LYS A 95 7.815 20.594 8.339 1.00 12.01 H new ATOM 0 HZ3 LYS A 95 7.252 21.094 6.817 1.00 12.01 H new ATOM 1588 N GLN A 96 7.617 15.274 3.441 1.00 63.15 N ATOM 1589 CA GLN A 96 8.792 14.726 2.773 1.00 72.44 C ATOM 1590 C GLN A 96 8.418 14.120 1.424 1.00 73.11 C ATOM 1591 O GLN A 96 9.091 13.216 0.930 1.00 52.32 O ATOM 1592 CB GLN A 96 9.458 13.667 3.653 1.00 13.04 C ATOM 1593 CG GLN A 96 9.972 14.212 4.976 1.00 34.13 C ATOM 1594 CD GLN A 96 10.775 13.190 5.756 1.00 32.50 C ATOM 1595 OE1 GLN A 96 10.219 12.389 6.508 1.00 33.05 O ATOM 1596 NE2 GLN A 96 12.091 13.211 5.580 1.00 73.11 N ATOM 0 H GLN A 96 6.852 14.610 3.563 1.00 63.15 H new ATOM 0 HA GLN A 96 9.495 15.541 2.603 1.00 72.44 H new ATOM 0 HB2 GLN A 96 8.743 12.869 3.852 1.00 13.04 H new ATOM 0 HB3 GLN A 96 10.289 13.221 3.106 1.00 13.04 H new ATOM 0 HG2 GLN A 96 10.592 15.088 4.787 1.00 34.13 H new ATOM 0 HG3 GLN A 96 9.128 14.543 5.581 1.00 34.13 H new ATOM 0 HE21 GLN A 96 12.510 13.892 4.947 1.00 73.11 H new ATOM 0 HE22 GLN A 96 12.683 12.546 6.078 1.00 73.11 H new ATOM 1605 N GLY A 97 7.339 14.624 0.833 1.00 54.02 N ATOM 1606 CA GLY A 97 6.893 14.120 -0.453 1.00 45.12 C ATOM 1607 C GLY A 97 6.587 15.232 -1.437 1.00 31.30 C ATOM 1608 O GLY A 97 6.663 16.412 -1.095 1.00 50.25 O ATOM 0 H GLY A 97 6.766 15.373 1.222 1.00 54.02 H new ATOM 0 HA2 GLY A 97 7.662 13.470 -0.871 1.00 45.12 H new ATOM 0 HA3 GLY A 97 6.002 13.509 -0.311 1.00 45.12 H new ATOM 1612 N LYS A 98 6.240 14.856 -2.663 1.00 65.53 N ATOM 1613 CA LYS A 98 5.921 15.829 -3.701 1.00 65.43 C ATOM 1614 C LYS A 98 4.734 15.363 -4.537 1.00 73.22 C ATOM 1615 O LYS A 98 4.515 14.163 -4.706 1.00 75.14 O ATOM 1616 CB LYS A 98 7.135 16.058 -4.604 1.00 45.23 C ATOM 1617 CG LYS A 98 7.649 14.792 -5.267 1.00 72.41 C ATOM 1618 CD LYS A 98 6.970 14.548 -6.605 1.00 23.24 C ATOM 1619 CE LYS A 98 7.841 13.707 -7.526 1.00 52.42 C ATOM 1620 NZ LYS A 98 8.829 14.539 -8.267 1.00 1.41 N ATOM 0 H LYS A 98 6.172 13.883 -2.962 1.00 65.53 H new ATOM 0 HA LYS A 98 5.655 16.768 -3.215 1.00 65.43 H new ATOM 0 HB2 LYS A 98 6.871 16.781 -5.376 1.00 45.23 H new ATOM 0 HB3 LYS A 98 7.938 16.500 -4.014 1.00 45.23 H new ATOM 0 HG2 LYS A 98 8.726 14.868 -5.413 1.00 72.41 H new ATOM 0 HG3 LYS A 98 7.476 13.940 -4.610 1.00 72.41 H new ATOM 0 HD2 LYS A 98 6.017 14.045 -6.444 1.00 23.24 H new ATOM 0 HD3 LYS A 98 6.750 15.503 -7.082 1.00 23.24 H new ATOM 0 HE2 LYS A 98 8.367 12.954 -6.940 1.00 52.42 H new ATOM 0 HE3 LYS A 98 7.209 13.174 -8.237 1.00 52.42 H new ATOM 0 HZ1 LYS A 98 9.403 13.929 -8.884 1.00 1.41 H new ATOM 0 HZ2 LYS A 98 8.326 15.242 -8.846 1.00 1.41 H new ATOM 0 HZ3 LYS A 98 9.448 15.028 -7.590 1.00 1.41 H new ATOM 1634 N ILE A 99 3.972 16.318 -5.058 1.00 53.53 N ATOM 1635 CA ILE A 99 2.808 16.005 -5.879 1.00 3.04 C ATOM 1636 C ILE A 99 2.620 17.039 -6.984 1.00 23.22 C ATOM 1637 O ILE A 99 2.815 18.236 -6.770 1.00 30.52 O ATOM 1638 CB ILE A 99 1.524 15.936 -5.031 1.00 41.54 C ATOM 1639 CG1 ILE A 99 0.291 15.895 -5.937 1.00 23.12 C ATOM 1640 CG2 ILE A 99 1.451 17.124 -4.083 1.00 24.43 C ATOM 1641 CD1 ILE A 99 -0.964 15.436 -5.228 1.00 2.30 C ATOM 0 H ILE A 99 4.139 17.316 -4.926 1.00 53.53 H new ATOM 0 HA ILE A 99 2.991 15.028 -6.327 1.00 3.04 H new ATOM 0 HB ILE A 99 1.547 15.022 -4.437 1.00 41.54 H new ATOM 0 HG12 ILE A 99 0.122 16.889 -6.352 1.00 23.12 H new ATOM 0 HG13 ILE A 99 0.489 15.229 -6.777 1.00 23.12 H new ATOM 0 HG21 ILE A 99 0.538 17.061 -3.491 1.00 24.43 H new ATOM 0 HG22 ILE A 99 2.316 17.114 -3.419 1.00 24.43 H new ATOM 0 HG23 ILE A 99 1.447 18.049 -4.659 1.00 24.43 H new ATOM 0 HD11 ILE A 99 -1.798 15.431 -5.930 1.00 2.30 H new ATOM 0 HD12 ILE A 99 -0.813 14.430 -4.837 1.00 2.30 H new ATOM 0 HD13 ILE A 99 -1.186 16.116 -4.405 1.00 2.30 H new ATOM 1653 N LYS A 100 2.239 16.569 -8.167 1.00 14.33 N ATOM 1654 CA LYS A 100 2.020 17.452 -9.307 1.00 23.05 C ATOM 1655 C LYS A 100 0.627 17.248 -9.893 1.00 42.44 C ATOM 1656 O LYS A 100 0.145 16.120 -9.996 1.00 45.13 O ATOM 1657 CB LYS A 100 3.080 17.202 -10.382 1.00 71.40 C ATOM 1658 CG LYS A 100 4.502 17.214 -9.849 1.00 42.32 C ATOM 1659 CD LYS A 100 5.508 17.508 -10.950 1.00 75.11 C ATOM 1660 CE LYS A 100 5.615 19.000 -11.223 1.00 53.33 C ATOM 1661 NZ LYS A 100 6.616 19.299 -12.284 1.00 40.43 N ATOM 0 H LYS A 100 2.075 15.581 -8.362 1.00 14.33 H new ATOM 0 HA LYS A 100 2.101 18.482 -8.959 1.00 23.05 H new ATOM 0 HB2 LYS A 100 2.886 16.239 -10.854 1.00 71.40 H new ATOM 0 HB3 LYS A 100 2.985 17.962 -11.157 1.00 71.40 H new ATOM 0 HG2 LYS A 100 4.591 17.965 -9.064 1.00 42.32 H new ATOM 0 HG3 LYS A 100 4.730 16.249 -9.395 1.00 42.32 H new ATOM 0 HD2 LYS A 100 6.485 17.118 -10.665 1.00 75.11 H new ATOM 0 HD3 LYS A 100 5.212 16.990 -11.862 1.00 75.11 H new ATOM 0 HE2 LYS A 100 4.641 19.385 -11.524 1.00 53.33 H new ATOM 0 HE3 LYS A 100 5.893 19.518 -10.305 1.00 53.33 H new ATOM 0 HZ1 LYS A 100 6.659 20.326 -12.441 1.00 40.43 H new ATOM 0 HZ2 LYS A 100 7.551 18.954 -11.986 1.00 40.43 H new ATOM 0 HZ3 LYS A 100 6.338 18.825 -13.167 1.00 40.43 H new ATOM 1675 N ASP A 101 -0.014 18.346 -10.278 1.00 11.53 N ATOM 1676 CA ASP A 101 -1.351 18.288 -10.857 1.00 31.11 C ATOM 1677 C ASP A 101 -1.296 18.470 -12.370 1.00 51.25 C ATOM 1678 O ASP A 101 -1.340 19.594 -12.872 1.00 75.43 O ATOM 1679 CB ASP A 101 -2.247 19.359 -10.234 1.00 13.40 C ATOM 1680 CG ASP A 101 -3.646 19.356 -10.819 1.00 41.32 C ATOM 1681 OD1 ASP A 101 -4.414 18.420 -10.514 1.00 50.44 O ATOM 1682 OD2 ASP A 101 -3.972 20.289 -11.583 1.00 1.52 O ATOM 0 H ASP A 101 0.371 19.287 -10.200 1.00 11.53 H new ATOM 0 HA ASP A 101 -1.771 17.305 -10.642 1.00 31.11 H new ATOM 0 HB2 ASP A 101 -2.306 19.198 -9.158 1.00 13.40 H new ATOM 0 HB3 ASP A 101 -1.795 20.339 -10.385 1.00 13.40 H new ATOM 1687 N ARG A 102 -1.198 17.359 -13.092 1.00 71.51 N ATOM 1688 CA ARG A 102 -1.135 17.396 -14.548 1.00 64.12 C ATOM 1689 C ARG A 102 -2.496 17.744 -15.143 1.00 60.10 C ATOM 1690 O ARG A 102 -3.539 17.576 -14.510 1.00 64.02 O ATOM 1691 CB ARG A 102 -0.657 16.049 -15.094 1.00 22.02 C ATOM 1692 CG ARG A 102 0.852 15.874 -15.049 1.00 44.41 C ATOM 1693 CD ARG A 102 1.549 16.791 -16.043 1.00 32.11 C ATOM 1694 NE ARG A 102 2.981 16.519 -16.127 1.00 43.12 N ATOM 1695 CZ ARG A 102 3.842 17.304 -16.766 1.00 12.01 C ATOM 1696 NH1 ARG A 102 3.417 18.404 -17.372 1.00 70.25 N ATOM 1697 NH2 ARG A 102 5.131 16.990 -16.798 1.00 75.43 N ATOM 0 H ARG A 102 -1.160 16.421 -12.692 1.00 71.51 H new ATOM 0 HA ARG A 102 -0.424 18.170 -14.836 1.00 64.12 H new ATOM 0 HB2 ARG A 102 -1.124 15.248 -14.521 1.00 22.02 H new ATOM 0 HB3 ARG A 102 -0.996 15.943 -16.125 1.00 22.02 H new ATOM 0 HG2 ARG A 102 1.214 16.084 -14.043 1.00 44.41 H new ATOM 0 HG3 ARG A 102 1.106 14.837 -15.269 1.00 44.41 H new ATOM 0 HD2 ARG A 102 1.098 16.668 -17.028 1.00 32.11 H new ATOM 0 HD3 ARG A 102 1.394 17.829 -15.749 1.00 32.11 H new ATOM 0 HE ARG A 102 3.340 15.681 -15.670 1.00 43.12 H new ATOM 0 HH11 ARG A 102 2.427 18.649 -17.348 1.00 70.25 H new ATOM 0 HH12 ARG A 102 4.080 19.005 -17.862 1.00 70.25 H new ATOM 0 HH21 ARG A 102 5.462 16.145 -16.332 1.00 75.43 H new ATOM 0 HH22 ARG A 102 5.791 17.593 -17.289 1.00 75.43 H new ATOM 1711 N PRO A 103 -2.488 18.241 -16.389 1.00 31.02 N ATOM 1712 CA PRO A 103 -3.714 18.623 -17.096 1.00 62.04 C ATOM 1713 C PRO A 103 -4.563 17.415 -17.479 1.00 2.44 C ATOM 1714 O PRO A 103 -4.045 16.405 -17.955 1.00 42.41 O ATOM 1715 CB PRO A 103 -3.194 19.329 -18.351 1.00 4.52 C ATOM 1716 CG PRO A 103 -1.835 18.760 -18.570 1.00 63.24 C ATOM 1717 CD PRO A 103 -1.282 18.468 -17.203 1.00 31.13 C ATOM 0 HA PRO A 103 -4.364 19.243 -16.479 1.00 62.04 H new ATOM 0 HB2 PRO A 103 -3.843 19.144 -19.207 1.00 4.52 H new ATOM 0 HB3 PRO A 103 -3.153 20.409 -18.209 1.00 4.52 H new ATOM 0 HG2 PRO A 103 -1.884 17.853 -19.173 1.00 63.24 H new ATOM 0 HG3 PRO A 103 -1.199 19.465 -19.106 1.00 63.24 H new ATOM 0 HD2 PRO A 103 -0.632 17.593 -17.211 1.00 31.13 H new ATOM 0 HD3 PRO A 103 -0.691 19.301 -16.822 1.00 31.13 H new ATOM 1725 N VAL A 104 -5.870 17.526 -17.267 1.00 15.30 N ATOM 1726 CA VAL A 104 -6.792 16.444 -17.591 1.00 21.21 C ATOM 1727 C VAL A 104 -6.922 16.266 -19.099 1.00 60.24 C ATOM 1728 O VAL A 104 -7.035 17.240 -19.844 1.00 12.25 O ATOM 1729 CB VAL A 104 -8.188 16.697 -16.993 1.00 13.44 C ATOM 1730 CG1 VAL A 104 -8.843 17.900 -17.655 1.00 4.33 C ATOM 1731 CG2 VAL A 104 -9.061 15.460 -17.135 1.00 72.30 C ATOM 0 H VAL A 104 -6.315 18.355 -16.872 1.00 15.30 H new ATOM 0 HA VAL A 104 -6.378 15.535 -17.155 1.00 21.21 H new ATOM 0 HB VAL A 104 -8.075 16.914 -15.931 1.00 13.44 H new ATOM 0 HG11 VAL A 104 -9.829 18.063 -17.219 1.00 4.33 H new ATOM 0 HG12 VAL A 104 -8.225 18.784 -17.496 1.00 4.33 H new ATOM 0 HG13 VAL A 104 -8.945 17.716 -18.725 1.00 4.33 H new ATOM 0 HG21 VAL A 104 -10.044 15.657 -16.707 1.00 72.30 H new ATOM 0 HG22 VAL A 104 -9.168 15.210 -18.190 1.00 72.30 H new ATOM 0 HG23 VAL A 104 -8.597 14.625 -16.610 1.00 72.30 H new ATOM 1741 N LYS A 105 -6.906 15.014 -19.546 1.00 4.35 N ATOM 1742 CA LYS A 105 -7.024 14.706 -20.966 1.00 5.22 C ATOM 1743 C LYS A 105 -8.488 14.601 -21.380 1.00 2.30 C ATOM 1744 O LYS A 105 -9.322 14.106 -20.623 1.00 2.22 O ATOM 1745 CB LYS A 105 -6.297 13.398 -21.287 1.00 44.30 C ATOM 1746 CG LYS A 105 -4.872 13.598 -21.775 1.00 11.13 C ATOM 1747 CD LYS A 105 -4.839 14.238 -23.153 1.00 20.43 C ATOM 1748 CE LYS A 105 -3.413 14.503 -23.610 1.00 2.02 C ATOM 1749 NZ LYS A 105 -2.706 13.246 -23.980 1.00 70.32 N ATOM 0 H LYS A 105 -6.812 14.196 -18.944 1.00 4.35 H new ATOM 0 HA LYS A 105 -6.563 15.518 -21.528 1.00 5.22 H new ATOM 0 HB2 LYS A 105 -6.282 12.772 -20.395 1.00 44.30 H new ATOM 0 HB3 LYS A 105 -6.860 12.856 -22.047 1.00 44.30 H new ATOM 0 HG2 LYS A 105 -4.329 14.226 -21.068 1.00 11.13 H new ATOM 0 HG3 LYS A 105 -4.359 12.637 -21.807 1.00 11.13 H new ATOM 0 HD2 LYS A 105 -5.337 13.586 -23.870 1.00 20.43 H new ATOM 0 HD3 LYS A 105 -5.396 15.175 -23.134 1.00 20.43 H new ATOM 0 HE2 LYS A 105 -3.426 15.178 -24.466 1.00 2.02 H new ATOM 0 HE3 LYS A 105 -2.865 15.007 -22.814 1.00 2.02 H new ATOM 0 HZ1 LYS A 105 -1.737 13.470 -24.286 1.00 70.32 H new ATOM 0 HZ2 LYS A 105 -2.671 12.612 -23.156 1.00 70.32 H new ATOM 0 HZ3 LYS A 105 -3.215 12.777 -24.757 1.00 70.32 H new ATOM 1763 N GLU A 106 -8.792 15.069 -22.587 1.00 1.14 N ATOM 1764 CA GLU A 106 -10.156 15.026 -23.100 1.00 41.52 C ATOM 1765 C GLU A 106 -10.490 13.640 -23.643 1.00 43.04 C ATOM 1766 O GLU A 106 -9.672 13.010 -24.314 1.00 4.11 O ATOM 1767 CB GLU A 106 -10.344 16.075 -24.198 1.00 51.34 C ATOM 1768 CG GLU A 106 -10.586 17.478 -23.666 1.00 24.33 C ATOM 1769 CD GLU A 106 -9.362 18.062 -22.986 1.00 54.34 C ATOM 1770 OE1 GLU A 106 -8.385 18.378 -23.696 1.00 43.52 O ATOM 1771 OE2 GLU A 106 -9.383 18.204 -21.746 1.00 24.51 O ATOM 0 H GLU A 106 -8.113 15.482 -23.227 1.00 1.14 H new ATOM 0 HA GLU A 106 -10.834 15.247 -22.276 1.00 41.52 H new ATOM 0 HB2 GLU A 106 -9.459 16.085 -24.835 1.00 51.34 H new ATOM 0 HB3 GLU A 106 -11.186 15.784 -24.826 1.00 51.34 H new ATOM 0 HG2 GLU A 106 -10.885 18.128 -24.488 1.00 24.33 H new ATOM 0 HG3 GLU A 106 -11.415 17.457 -22.959 1.00 24.33 H new ATOM 1778 N VAL A 107 -11.698 13.170 -23.348 1.00 44.21 N ATOM 1779 CA VAL A 107 -12.141 11.859 -23.806 1.00 50.15 C ATOM 1780 C VAL A 107 -13.193 11.987 -24.902 1.00 71.24 C ATOM 1781 O VAL A 107 -14.071 12.848 -24.838 1.00 43.31 O ATOM 1782 CB VAL A 107 -12.721 11.026 -22.648 1.00 1.11 C ATOM 1783 CG1 VAL A 107 -13.709 9.996 -23.173 1.00 70.21 C ATOM 1784 CG2 VAL A 107 -11.604 10.354 -21.864 1.00 43.20 C ATOM 0 H VAL A 107 -12.387 13.678 -22.794 1.00 44.21 H new ATOM 0 HA VAL A 107 -11.264 11.350 -24.205 1.00 50.15 H new ATOM 0 HB VAL A 107 -13.255 11.696 -21.974 1.00 1.11 H new ATOM 0 HG11 VAL A 107 -14.108 9.417 -22.340 1.00 70.21 H new ATOM 0 HG12 VAL A 107 -14.526 10.504 -23.686 1.00 70.21 H new ATOM 0 HG13 VAL A 107 -13.202 9.328 -23.869 1.00 70.21 H new ATOM 0 HG21 VAL A 107 -12.032 9.770 -21.049 1.00 43.20 H new ATOM 0 HG22 VAL A 107 -11.040 9.696 -22.525 1.00 43.20 H new ATOM 0 HG23 VAL A 107 -10.939 11.114 -21.455 1.00 43.20 H new ATOM 1794 N HIS A 108 -13.100 11.123 -25.908 1.00 44.15 N ATOM 1795 CA HIS A 108 -14.045 11.138 -27.019 1.00 43.34 C ATOM 1796 C HIS A 108 -14.854 9.845 -27.062 1.00 43.51 C ATOM 1797 O HIS A 108 -14.626 8.934 -26.267 1.00 54.22 O ATOM 1798 CB HIS A 108 -13.305 11.335 -28.343 1.00 71.21 C ATOM 1799 CG HIS A 108 -13.027 12.771 -28.667 1.00 34.53 C ATOM 1800 ND1 HIS A 108 -12.296 13.600 -27.843 1.00 35.03 N ATOM 1801 CD2 HIS A 108 -13.386 13.523 -29.733 1.00 61.02 C ATOM 1802 CE1 HIS A 108 -12.219 14.801 -28.387 1.00 41.04 C ATOM 1803 NE2 HIS A 108 -12.871 14.781 -29.536 1.00 35.25 N ATOM 0 H HIS A 108 -12.380 10.404 -25.977 1.00 44.15 H new ATOM 0 HA HIS A 108 -14.732 11.971 -26.868 1.00 43.34 H new ATOM 0 HB2 HIS A 108 -12.362 10.790 -28.307 1.00 71.21 H new ATOM 0 HB3 HIS A 108 -13.895 10.897 -29.148 1.00 71.21 H new ATOM 0 HD2 HIS A 108 -13.969 13.195 -30.581 1.00 61.02 H new ATOM 0 HE1 HIS A 108 -11.710 15.654 -27.964 1.00 41.04 H new ATOM 0 HE2 HIS A 108 -12.975 15.571 -30.173 1.00 35.25 H new ATOM 1811 N GLU A 109 -15.799 9.775 -27.995 1.00 24.34 N ATOM 1812 CA GLU A 109 -16.642 8.594 -28.139 1.00 22.13 C ATOM 1813 C GLU A 109 -15.908 7.490 -28.894 1.00 64.13 C ATOM 1814 O GLU A 109 -14.928 7.748 -29.593 1.00 0.14 O ATOM 1815 CB GLU A 109 -17.938 8.951 -28.869 1.00 11.53 C ATOM 1816 CG GLU A 109 -18.526 10.287 -28.446 1.00 14.05 C ATOM 1817 CD GLU A 109 -18.306 11.375 -29.479 1.00 11.05 C ATOM 1818 OE1 GLU A 109 -17.169 11.497 -29.979 1.00 42.21 O ATOM 1819 OE2 GLU A 109 -19.272 12.104 -29.786 1.00 53.33 O ATOM 0 H GLU A 109 -16.000 10.521 -28.661 1.00 24.34 H new ATOM 0 HA GLU A 109 -16.884 8.229 -27.141 1.00 22.13 H new ATOM 0 HB2 GLU A 109 -17.747 8.971 -29.942 1.00 11.53 H new ATOM 0 HB3 GLU A 109 -18.674 8.167 -28.690 1.00 11.53 H new ATOM 0 HG2 GLU A 109 -19.595 10.170 -28.270 1.00 14.05 H new ATOM 0 HG3 GLU A 109 -18.079 10.593 -27.500 1.00 14.05 H new ATOM 1826 N GLU A 110 -16.389 6.259 -28.748 1.00 12.50 N ATOM 1827 CA GLU A 110 -15.778 5.116 -29.415 1.00 43.24 C ATOM 1828 C GLU A 110 -14.319 4.957 -28.996 1.00 12.42 C ATOM 1829 O GLU A 110 -13.439 4.761 -29.834 1.00 3.12 O ATOM 1830 CB GLU A 110 -15.868 5.276 -30.934 1.00 74.15 C ATOM 1831 CG GLU A 110 -17.218 4.878 -31.509 1.00 25.31 C ATOM 1832 CD GLU A 110 -18.139 6.065 -31.710 1.00 33.10 C ATOM 1833 OE1 GLU A 110 -18.033 6.728 -32.763 1.00 24.04 O ATOM 1834 OE2 GLU A 110 -18.968 6.330 -30.814 1.00 2.31 O ATOM 0 H GLU A 110 -17.200 6.028 -28.174 1.00 12.50 H new ATOM 0 HA GLU A 110 -16.324 4.220 -29.117 1.00 43.24 H new ATOM 0 HB2 GLU A 110 -15.664 6.315 -31.194 1.00 74.15 H new ATOM 0 HB3 GLU A 110 -15.091 4.671 -31.401 1.00 74.15 H new ATOM 0 HG2 GLU A 110 -17.068 4.374 -32.464 1.00 25.31 H new ATOM 0 HG3 GLU A 110 -17.696 4.161 -30.841 1.00 25.31 H new ATOM 1841 N TYR A 111 -14.072 5.044 -27.694 1.00 3.43 N ATOM 1842 CA TYR A 111 -12.720 4.914 -27.162 1.00 73.41 C ATOM 1843 C TYR A 111 -12.750 4.503 -25.693 1.00 71.31 C ATOM 1844 O TYR A 111 -12.051 5.081 -24.861 1.00 22.21 O ATOM 1845 CB TYR A 111 -11.958 6.230 -27.320 1.00 11.55 C ATOM 1846 CG TYR A 111 -11.355 6.420 -28.693 1.00 4.32 C ATOM 1847 CD1 TYR A 111 -10.430 5.515 -29.198 1.00 24.33 C ATOM 1848 CD2 TYR A 111 -11.708 7.506 -29.485 1.00 34.51 C ATOM 1849 CE1 TYR A 111 -9.875 5.684 -30.452 1.00 1.34 C ATOM 1850 CE2 TYR A 111 -11.160 7.682 -30.740 1.00 40.34 C ATOM 1851 CZ TYR A 111 -10.244 6.769 -31.219 1.00 43.32 C ATOM 1852 OH TYR A 111 -9.694 6.943 -32.469 1.00 30.32 O ATOM 0 H TYR A 111 -14.790 5.204 -26.987 1.00 3.43 H new ATOM 0 HA TYR A 111 -12.208 4.136 -27.728 1.00 73.41 H new ATOM 0 HB2 TYR A 111 -12.634 7.059 -27.112 1.00 11.55 H new ATOM 0 HB3 TYR A 111 -11.164 6.272 -26.575 1.00 11.55 H new ATOM 0 HD1 TYR A 111 -10.139 4.664 -28.600 1.00 24.33 H new ATOM 0 HD2 TYR A 111 -12.423 8.225 -29.112 1.00 34.51 H new ATOM 0 HE1 TYR A 111 -9.157 4.971 -30.829 1.00 1.34 H new ATOM 0 HE2 TYR A 111 -11.447 8.530 -31.344 1.00 40.34 H new ATOM 0 HH TYR A 111 -10.061 7.755 -32.878 1.00 30.32 H new ATOM 1862 N ASP A 112 -13.564 3.500 -25.383 1.00 13.13 N ATOM 1863 CA ASP A 112 -13.685 3.009 -24.015 1.00 34.01 C ATOM 1864 C ASP A 112 -12.312 2.711 -23.421 1.00 12.52 C ATOM 1865 O ASP A 112 -11.374 2.367 -24.141 1.00 30.55 O ATOM 1866 CB ASP A 112 -14.555 1.751 -23.977 1.00 44.02 C ATOM 1867 CG ASP A 112 -14.308 0.841 -25.165 1.00 15.43 C ATOM 1868 OD1 ASP A 112 -13.128 0.617 -25.506 1.00 51.33 O ATOM 1869 OD2 ASP A 112 -15.296 0.353 -25.752 1.00 71.20 O ATOM 0 H ASP A 112 -14.150 3.011 -26.060 1.00 13.13 H new ATOM 0 HA ASP A 112 -14.159 3.787 -23.416 1.00 34.01 H new ATOM 0 HB2 ASP A 112 -14.357 1.203 -23.056 1.00 44.02 H new ATOM 0 HB3 ASP A 112 -15.606 2.040 -23.956 1.00 44.02 H new ATOM 1874 N LEU A 113 -12.201 2.848 -22.104 1.00 41.11 N ATOM 1875 CA LEU A 113 -10.942 2.595 -21.412 1.00 64.05 C ATOM 1876 C LEU A 113 -10.822 1.126 -21.020 1.00 21.04 C ATOM 1877 O LEU A 113 -10.282 0.315 -21.771 1.00 64.43 O ATOM 1878 CB LEU A 113 -10.834 3.478 -20.168 1.00 32.11 C ATOM 1879 CG LEU A 113 -10.867 4.987 -20.411 1.00 14.22 C ATOM 1880 CD1 LEU A 113 -9.939 5.364 -21.555 1.00 53.21 C ATOM 1881 CD2 LEU A 113 -12.288 5.450 -20.699 1.00 71.13 C ATOM 0 H LEU A 113 -12.967 3.133 -21.494 1.00 41.11 H new ATOM 0 HA LEU A 113 -10.126 2.838 -22.093 1.00 64.05 H new ATOM 0 HB2 LEU A 113 -11.650 3.221 -19.493 1.00 32.11 H new ATOM 0 HB3 LEU A 113 -9.905 3.233 -19.653 1.00 32.11 H new ATOM 0 HG LEU A 113 -10.519 5.489 -19.508 1.00 14.22 H new ATOM 0 HD11 LEU A 113 -9.976 6.442 -21.713 1.00 53.21 H new ATOM 0 HD12 LEU A 113 -8.919 5.068 -21.309 1.00 53.21 H new ATOM 0 HD13 LEU A 113 -10.256 4.853 -22.464 1.00 53.21 H new ATOM 0 HD21 LEU A 113 -12.292 6.527 -20.869 1.00 71.13 H new ATOM 0 HD22 LEU A 113 -12.664 4.941 -21.586 1.00 71.13 H new ATOM 0 HD23 LEU A 113 -12.927 5.215 -19.848 1.00 71.13 H new ATOM 1893 N TRP A 114 -11.331 0.791 -19.840 1.00 2.55 N ATOM 1894 CA TRP A 114 -11.283 -0.581 -19.348 1.00 3.10 C ATOM 1895 C TRP A 114 -12.529 -1.353 -19.766 1.00 15.23 C ATOM 1896 O TRP A 114 -12.455 -2.534 -20.102 1.00 25.12 O ATOM 1897 CB TRP A 114 -11.146 -0.594 -17.825 1.00 31.34 C ATOM 1898 CG TRP A 114 -9.736 -0.792 -17.356 1.00 72.54 C ATOM 1899 CD1 TRP A 114 -8.738 0.140 -17.344 1.00 31.43 C ATOM 1900 CD2 TRP A 114 -9.168 -1.999 -16.835 1.00 41.21 C ATOM 1901 NE1 TRP A 114 -7.584 -0.415 -16.846 1.00 5.42 N ATOM 1902 CE2 TRP A 114 -7.821 -1.725 -16.526 1.00 32.13 C ATOM 1903 CE3 TRP A 114 -9.666 -3.283 -16.598 1.00 1.34 C ATOM 1904 CZ2 TRP A 114 -6.969 -2.689 -15.993 1.00 74.11 C ATOM 1905 CZ3 TRP A 114 -8.819 -4.238 -16.069 1.00 72.43 C ATOM 1906 CH2 TRP A 114 -7.483 -3.938 -15.771 1.00 15.31 C ATOM 0 H TRP A 114 -11.782 1.451 -19.206 1.00 2.55 H new ATOM 0 HA TRP A 114 -10.413 -1.068 -19.788 1.00 3.10 H new ATOM 0 HB2 TRP A 114 -11.525 0.347 -17.425 1.00 31.34 H new ATOM 0 HB3 TRP A 114 -11.771 -1.389 -17.418 1.00 31.34 H new ATOM 0 HD1 TRP A 114 -8.841 1.162 -17.677 1.00 31.43 H new ATOM 0 HE1 TRP A 114 -6.694 0.071 -16.733 1.00 5.42 H new ATOM 0 HE3 TRP A 114 -10.694 -3.524 -16.824 1.00 1.34 H new ATOM 0 HZ2 TRP A 114 -5.939 -2.459 -15.763 1.00 74.11 H new ATOM 0 HZ3 TRP A 114 -9.193 -5.234 -15.882 1.00 72.43 H new ATOM 0 HH2 TRP A 114 -6.847 -4.707 -15.358 1.00 15.31 H new ATOM 1917 N GLU A 115 -13.674 -0.677 -19.742 1.00 72.32 N ATOM 1918 CA GLU A 115 -14.937 -1.302 -20.119 1.00 21.15 C ATOM 1919 C GLU A 115 -15.317 -2.400 -19.129 1.00 65.34 C ATOM 1920 O GLU A 115 -15.427 -3.570 -19.497 1.00 34.12 O ATOM 1921 CB GLU A 115 -14.843 -1.883 -21.531 1.00 51.20 C ATOM 1922 CG GLU A 115 -15.508 -1.019 -22.590 1.00 4.23 C ATOM 1923 CD GLU A 115 -16.636 -1.736 -23.304 1.00 71.43 C ATOM 1924 OE1 GLU A 115 -16.378 -2.802 -23.903 1.00 0.54 O ATOM 1925 OE2 GLU A 115 -17.778 -1.232 -23.265 1.00 31.13 O ATOM 0 H GLU A 115 -13.753 0.302 -19.466 1.00 72.32 H new ATOM 0 HA GLU A 115 -15.712 -0.536 -20.101 1.00 21.15 H new ATOM 0 HB2 GLU A 115 -13.793 -2.017 -21.790 1.00 51.20 H new ATOM 0 HB3 GLU A 115 -15.302 -2.871 -21.539 1.00 51.20 H new ATOM 0 HG2 GLU A 115 -15.896 -0.113 -22.124 1.00 4.23 H new ATOM 0 HG3 GLU A 115 -14.761 -0.707 -23.320 1.00 4.23 H new ATOM 1932 N ASP A 116 -15.514 -2.015 -17.874 1.00 3.24 N ATOM 1933 CA ASP A 116 -15.881 -2.965 -16.831 1.00 33.44 C ATOM 1934 C ASP A 116 -15.933 -2.283 -15.467 1.00 62.31 C ATOM 1935 O ASP A 116 -16.977 -2.215 -14.819 1.00 54.20 O ATOM 1936 CB ASP A 116 -14.887 -4.127 -16.796 1.00 71.23 C ATOM 1937 CG ASP A 116 -14.700 -4.688 -15.400 1.00 73.33 C ATOM 1938 OD1 ASP A 116 -15.717 -4.923 -14.714 1.00 10.22 O ATOM 1939 OD2 ASP A 116 -13.537 -4.894 -14.995 1.00 14.44 O ATOM 0 H ASP A 116 -15.426 -1.051 -17.554 1.00 3.24 H new ATOM 0 HA ASP A 116 -16.873 -3.353 -17.061 1.00 33.44 H new ATOM 0 HB2 ASP A 116 -15.235 -4.919 -17.459 1.00 71.23 H new ATOM 0 HB3 ASP A 116 -13.925 -3.790 -17.181 1.00 71.23 H new ATOM 1944 N PRO A 117 -14.779 -1.767 -15.019 1.00 43.14 N ATOM 1945 CA PRO A 117 -14.666 -1.081 -13.729 1.00 31.44 C ATOM 1946 C PRO A 117 -15.384 0.264 -13.722 1.00 61.10 C ATOM 1947 O PRO A 117 -16.394 0.435 -13.039 1.00 53.43 O ATOM 1948 CB PRO A 117 -13.157 -0.883 -13.563 1.00 34.35 C ATOM 1949 CG PRO A 117 -12.621 -0.874 -14.952 1.00 73.55 C ATOM 1950 CD PRO A 117 -13.495 -1.812 -15.739 1.00 62.02 C ATOM 0 HA PRO A 117 -15.126 -1.652 -12.923 1.00 31.44 H new ATOM 0 HB2 PRO A 117 -12.935 0.051 -13.047 1.00 34.35 H new ATOM 0 HB3 PRO A 117 -12.715 -1.686 -12.973 1.00 34.35 H new ATOM 0 HG2 PRO A 117 -12.647 0.131 -15.374 1.00 73.55 H new ATOM 0 HG3 PRO A 117 -11.581 -1.201 -14.971 1.00 73.55 H new ATOM 0 HD2 PRO A 117 -13.603 -1.487 -16.774 1.00 62.02 H new ATOM 0 HD3 PRO A 117 -13.083 -2.821 -15.763 1.00 62.02 H new ATOM 1958 N ILE A 118 -14.856 1.214 -14.486 1.00 14.40 N ATOM 1959 CA ILE A 118 -15.449 2.544 -14.569 1.00 25.33 C ATOM 1960 C ILE A 118 -16.641 2.556 -15.518 1.00 54.05 C ATOM 1961 O ILE A 118 -17.411 3.517 -15.553 1.00 25.44 O ATOM 1962 CB ILE A 118 -14.421 3.590 -15.040 1.00 22.43 C ATOM 1963 CG1 ILE A 118 -14.286 3.554 -16.563 1.00 55.34 C ATOM 1964 CG2 ILE A 118 -13.073 3.343 -14.378 1.00 12.31 C ATOM 1965 CD1 ILE A 118 -13.712 2.258 -17.090 1.00 31.44 C ATOM 0 H ILE A 118 -14.020 1.088 -15.056 1.00 14.40 H new ATOM 0 HA ILE A 118 -15.785 2.803 -13.565 1.00 25.33 H new ATOM 0 HB ILE A 118 -14.772 4.580 -14.748 1.00 22.43 H new ATOM 0 HG12 ILE A 118 -15.267 3.715 -17.010 1.00 55.34 H new ATOM 0 HG13 ILE A 118 -13.650 4.380 -16.883 1.00 55.34 H new ATOM 0 HG21 ILE A 118 -12.357 4.090 -14.721 1.00 12.31 H new ATOM 0 HG22 ILE A 118 -13.181 3.413 -13.296 1.00 12.31 H new ATOM 0 HG23 ILE A 118 -12.714 2.348 -14.643 1.00 12.31 H new ATOM 0 HD11 ILE A 118 -13.646 2.305 -18.177 1.00 31.44 H new ATOM 0 HD12 ILE A 118 -12.717 2.104 -16.672 1.00 31.44 H new ATOM 0 HD13 ILE A 118 -14.359 1.430 -16.802 1.00 31.44 H new ATOM 1977 N TRP A 119 -16.790 1.483 -16.286 1.00 62.25 N ATOM 1978 CA TRP A 119 -17.891 1.369 -17.236 1.00 40.22 C ATOM 1979 C TRP A 119 -19.236 1.481 -16.526 1.00 63.34 C ATOM 1980 O TRP A 119 -20.246 1.819 -17.143 1.00 3.34 O ATOM 1981 CB TRP A 119 -17.807 0.041 -17.990 1.00 23.23 C ATOM 1982 CG TRP A 119 -18.917 -0.154 -18.977 1.00 53.52 C ATOM 1983 CD1 TRP A 119 -18.956 0.295 -20.266 1.00 45.34 C ATOM 1984 CD2 TRP A 119 -20.151 -0.846 -18.754 1.00 44.34 C ATOM 1985 NE1 TRP A 119 -20.138 -0.076 -20.859 1.00 35.24 N ATOM 1986 CE2 TRP A 119 -20.889 -0.778 -19.952 1.00 44.14 C ATOM 1987 CE3 TRP A 119 -20.703 -1.518 -17.661 1.00 4.23 C ATOM 1988 CZ2 TRP A 119 -22.148 -1.356 -20.084 1.00 15.21 C ATOM 1989 CZ3 TRP A 119 -21.953 -2.091 -17.793 1.00 12.43 C ATOM 1990 CH2 TRP A 119 -22.665 -2.007 -18.997 1.00 63.50 C ATOM 0 H TRP A 119 -16.162 0.679 -16.270 1.00 62.25 H new ATOM 0 HA TRP A 119 -17.808 2.189 -17.950 1.00 40.22 H new ATOM 0 HB2 TRP A 119 -16.852 -0.011 -18.513 1.00 23.23 H new ATOM 0 HB3 TRP A 119 -17.822 -0.778 -17.271 1.00 23.23 H new ATOM 0 HD1 TRP A 119 -18.172 0.859 -20.749 1.00 45.34 H new ATOM 0 HE1 TRP A 119 -20.412 0.136 -21.818 1.00 35.24 H new ATOM 0 HE3 TRP A 119 -20.162 -1.588 -16.729 1.00 4.23 H new ATOM 0 HZ2 TRP A 119 -22.698 -1.293 -21.012 1.00 15.21 H new ATOM 0 HZ3 TRP A 119 -22.389 -2.613 -16.954 1.00 12.43 H new ATOM 0 HH2 TRP A 119 -23.641 -2.465 -19.068 1.00 63.50 H new ATOM 2001 N GLN A 120 -19.241 1.194 -15.229 1.00 4.25 N ATOM 2002 CA GLN A 120 -20.463 1.262 -14.436 1.00 43.52 C ATOM 2003 C GLN A 120 -20.312 2.253 -13.287 1.00 4.15 C ATOM 2004 O GLN A 120 -20.880 3.345 -13.316 1.00 34.34 O ATOM 2005 CB GLN A 120 -20.819 -0.121 -13.890 1.00 12.05 C ATOM 2006 CG GLN A 120 -21.996 -0.110 -12.928 1.00 35.41 C ATOM 2007 CD GLN A 120 -22.480 -1.505 -12.582 1.00 52.12 C ATOM 2008 OE1 GLN A 120 -22.179 -2.471 -13.284 1.00 53.33 O ATOM 2009 NE2 GLN A 120 -23.234 -1.618 -11.495 1.00 55.41 N ATOM 0 H GLN A 120 -18.413 0.912 -14.704 1.00 4.25 H new ATOM 0 HA GLN A 120 -21.268 1.607 -15.084 1.00 43.52 H new ATOM 0 HB2 GLN A 120 -21.048 -0.784 -14.724 1.00 12.05 H new ATOM 0 HB3 GLN A 120 -19.949 -0.537 -13.382 1.00 12.05 H new ATOM 0 HG2 GLN A 120 -21.708 0.408 -12.013 1.00 35.41 H new ATOM 0 HG3 GLN A 120 -22.816 0.456 -13.370 1.00 35.41 H new ATOM 0 HE21 GLN A 120 -23.459 -0.791 -10.942 1.00 55.41 H new ATOM 0 HE22 GLN A 120 -23.588 -2.532 -11.213 1.00 55.41 H new ATOM 2018 N TYR A 121 -19.542 1.865 -12.276 1.00 12.34 N ATOM 2019 CA TYR A 121 -19.319 2.718 -11.114 1.00 45.34 C ATOM 2020 C TYR A 121 -18.029 2.334 -10.396 1.00 63.41 C ATOM 2021 O TYR A 121 -17.308 1.435 -10.831 1.00 23.24 O ATOM 2022 CB TYR A 121 -20.501 2.622 -10.149 1.00 72.21 C ATOM 2023 CG TYR A 121 -20.868 3.941 -9.507 1.00 71.24 C ATOM 2024 CD1 TYR A 121 -21.288 5.018 -10.279 1.00 23.14 C ATOM 2025 CD2 TYR A 121 -20.794 4.111 -8.130 1.00 75.55 C ATOM 2026 CE1 TYR A 121 -21.623 6.225 -9.697 1.00 14.20 C ATOM 2027 CE2 TYR A 121 -21.130 5.314 -7.540 1.00 64.41 C ATOM 2028 CZ TYR A 121 -21.543 6.368 -8.327 1.00 72.14 C ATOM 2029 OH TYR A 121 -21.876 7.568 -7.743 1.00 55.42 O ATOM 0 H TYR A 121 -19.062 0.966 -12.238 1.00 12.34 H new ATOM 0 HA TYR A 121 -19.227 3.747 -11.463 1.00 45.34 H new ATOM 0 HB2 TYR A 121 -21.367 2.236 -10.686 1.00 72.21 H new ATOM 0 HB3 TYR A 121 -20.263 1.901 -9.367 1.00 72.21 H new ATOM 0 HD1 TYR A 121 -21.353 4.909 -11.352 1.00 23.14 H new ATOM 0 HD2 TYR A 121 -20.468 3.289 -7.510 1.00 75.55 H new ATOM 0 HE1 TYR A 121 -21.946 7.053 -10.311 1.00 14.20 H new ATOM 0 HE2 TYR A 121 -21.069 5.428 -6.468 1.00 64.41 H new ATOM 0 HH TYR A 121 -21.766 7.501 -6.772 1.00 55.42 H new ATOM 2039 N ILE A 122 -17.745 3.020 -9.294 1.00 54.25 N ATOM 2040 CA ILE A 122 -16.544 2.750 -8.514 1.00 52.13 C ATOM 2041 C ILE A 122 -16.426 1.267 -8.182 1.00 74.51 C ATOM 2042 O ILE A 122 -15.388 0.648 -8.414 1.00 63.12 O ATOM 2043 CB ILE A 122 -16.529 3.561 -7.205 1.00 34.43 C ATOM 2044 CG1 ILE A 122 -17.655 3.095 -6.279 1.00 10.33 C ATOM 2045 CG2 ILE A 122 -16.660 5.047 -7.500 1.00 42.24 C ATOM 2046 CD1 ILE A 122 -17.692 3.829 -4.956 1.00 63.23 C ATOM 0 H ILE A 122 -18.331 3.767 -8.921 1.00 54.25 H new ATOM 0 HA ILE A 122 -15.695 3.051 -9.128 1.00 52.13 H new ATOM 0 HB ILE A 122 -15.577 3.394 -6.702 1.00 34.43 H new ATOM 0 HG12 ILE A 122 -18.610 3.229 -6.786 1.00 10.33 H new ATOM 0 HG13 ILE A 122 -17.541 2.028 -6.090 1.00 10.33 H new ATOM 0 HG21 ILE A 122 -16.648 5.606 -6.564 1.00 42.24 H new ATOM 0 HG22 ILE A 122 -15.827 5.368 -8.126 1.00 42.24 H new ATOM 0 HG23 ILE A 122 -17.599 5.233 -8.022 1.00 42.24 H new ATOM 0 HD11 ILE A 122 -18.514 3.447 -4.351 1.00 63.23 H new ATOM 0 HD12 ILE A 122 -16.751 3.675 -4.428 1.00 63.23 H new ATOM 0 HD13 ILE A 122 -17.837 4.894 -5.135 1.00 63.23 H new