USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 668 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 46 SER OG : rot 140:sc= -0.198 USER MOD Set 1.2: A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 4 ASN : amide:sc= -4.66! C(o=-5.7!,f=-10!) USER MOD Set 2.2: A 6 TYR OH : rot 180:sc= -0.0519 USER MOD Set 2.3: A 78 SER OG : rot 96:sc= -1.03! USER MOD Set 3.1: A 3 GLN : amide:sc= -10! C(o=-9.4!,f=-15!) USER MOD Set 3.2: A 64 TYR OH : rot 49:sc= 0.562 USER MOD Single : A 5 SER OG : rot 180:sc= 0.00178 USER MOD Single : A 12 THR OG1 : rot 87:sc= 0.0365 USER MOD Single : A 15 HIS : no HD1:sc= -9.88! C(o=-9.9!,f=-9.5!) USER MOD Single : A 20 THR OG1 : rot 102:sc= 0.436 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0.0331 USER MOD Single : A 28 LYS NZ :NH3+ -167:sc= -0.434 (180deg=-1.05) USER MOD Single : A 31 SER OG : rot 65:sc= -2.32 USER MOD Single : A 34 GLN : amide:sc= -1.43 K(o=-1.4,f=-0.84) USER MOD Single : A 37 TYR OH : rot 138:sc= 0.784 USER MOD Single : A 38 ASN : amide:sc= -10.4! C(o=-10!,f=-9.7!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -150:sc= -0.0762 (180deg=-0.556) USER MOD Single : A 43 ASN : amide:sc= -1.55 K(o=-1.5,f=-0.069) USER MOD Single : A 45 LYS NZ :NH3+ -125:sc= -0.0565 (180deg=-4.58!) USER MOD Single : A 51 MET CE :methyl 149:sc= -0.969 (180deg=-3.18!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -156:sc= -1 (180deg=-1.95!) USER MOD Single : A 62 THR OG1 : rot -7:sc= -2.46! USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 77:sc= -2.07! USER MOD Single : A 75 GLN : amide:sc= -3.28! K(o=-3.3!,f=-0.79) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N GLU A 2 -7.083 -0.518 11.601 1.00 0.00 N ATOM 19 CA GLU A 2 -6.155 -1.628 11.462 1.00 0.00 C ATOM 20 C GLU A 2 -5.204 -1.381 10.289 1.00 0.00 C ATOM 21 O GLU A 2 -5.648 -1.146 9.165 1.00 0.00 O ATOM 22 CB GLU A 2 -6.903 -2.951 11.292 1.00 0.00 C ATOM 23 CG GLU A 2 -6.319 -3.767 10.138 1.00 0.00 C ATOM 24 CD GLU A 2 -6.446 -5.268 10.408 1.00 0.00 C ATOM 25 OE1 GLU A 2 -6.948 -5.666 11.469 1.00 0.00 O ATOM 26 OE2 GLU A 2 -6.001 -6.031 9.469 1.00 0.00 O ATOM 0 HA GLU A 2 -5.564 -1.698 12.375 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -6.844 -3.527 12.215 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.959 -2.754 11.105 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.836 -3.515 9.212 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.270 -3.507 9.998 1.00 0.00 H new ATOM 34 N GLN A 3 -3.916 -1.443 10.589 1.00 0.00 N ATOM 35 CA GLN A 3 -2.899 -1.228 9.573 1.00 0.00 C ATOM 36 C GLN A 3 -1.993 -2.457 9.461 1.00 0.00 C ATOM 37 O GLN A 3 -2.182 -3.439 10.178 1.00 0.00 O ATOM 38 CB GLN A 3 -2.082 0.030 9.872 1.00 0.00 C ATOM 39 CG GLN A 3 -1.149 -0.193 11.064 1.00 0.00 C ATOM 40 CD GLN A 3 0.196 0.503 10.846 1.00 0.00 C ATOM 41 OE1 GLN A 3 0.332 1.407 10.038 1.00 0.00 O ATOM 42 NE2 GLN A 3 1.179 0.034 11.609 1.00 0.00 N ATOM 0 H GLN A 3 -3.552 -1.639 11.522 1.00 0.00 H new ATOM 0 HA GLN A 3 -3.396 -1.078 8.615 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -1.497 0.305 8.994 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -2.753 0.863 10.082 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -1.616 0.188 11.972 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -0.990 -1.261 11.211 1.00 0.00 H new ATOM 0 HE21 GLN A 3 0.997 -0.725 12.266 1.00 0.00 H new ATOM 0 HE22 GLN A 3 2.115 0.433 11.538 1.00 0.00 H new ATOM 51 N ASN A 4 -1.031 -2.363 8.556 1.00 0.00 N ATOM 52 CA ASN A 4 -0.096 -3.453 8.341 1.00 0.00 C ATOM 53 C ASN A 4 1.174 -2.910 7.684 1.00 0.00 C ATOM 54 O ASN A 4 1.102 -2.165 6.707 1.00 0.00 O ATOM 55 CB ASN A 4 -0.691 -4.515 7.413 1.00 0.00 C ATOM 56 CG ASN A 4 -1.457 -5.572 8.210 1.00 0.00 C ATOM 57 OD1 ASN A 4 -2.510 -5.320 8.773 1.00 0.00 O ATOM 58 ND2 ASN A 4 -0.873 -6.766 8.226 1.00 0.00 N ATOM 0 H ASN A 4 -0.879 -1.548 7.962 1.00 0.00 H new ATOM 0 HA ASN A 4 0.125 -3.902 9.309 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -1.359 -4.041 6.694 1.00 0.00 H new ATOM 0 HB3 ASN A 4 0.106 -4.992 6.842 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -1.307 -7.539 8.731 1.00 0.00 H new ATOM 0 HD22 ASN A 4 0.009 -6.909 7.733 1.00 0.00 H new ATOM 65 N SER A 5 2.308 -3.303 8.244 1.00 0.00 N ATOM 66 CA SER A 5 3.592 -2.863 7.725 1.00 0.00 C ATOM 67 C SER A 5 4.196 -3.952 6.835 1.00 0.00 C ATOM 68 O SER A 5 3.822 -5.120 6.936 1.00 0.00 O ATOM 69 CB SER A 5 4.555 -2.511 8.860 1.00 0.00 C ATOM 70 OG SER A 5 3.921 -2.572 10.135 1.00 0.00 O ATOM 0 H SER A 5 2.365 -3.922 9.053 1.00 0.00 H new ATOM 0 HA SER A 5 3.431 -1.963 7.131 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.402 -3.197 8.843 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.953 -1.509 8.700 1.00 0.00 H new ATOM 0 HG SER A 5 4.569 -2.343 10.834 1.00 0.00 H new ATOM 76 N TYR A 6 5.121 -3.531 5.984 1.00 0.00 N ATOM 77 CA TYR A 6 5.781 -4.455 5.078 1.00 0.00 C ATOM 78 C TYR A 6 7.162 -3.935 4.674 1.00 0.00 C ATOM 79 O TYR A 6 7.586 -2.873 5.127 1.00 0.00 O ATOM 80 CB TYR A 6 4.893 -4.531 3.834 1.00 0.00 C ATOM 81 CG TYR A 6 3.482 -5.055 4.107 1.00 0.00 C ATOM 82 CD1 TYR A 6 3.306 -6.258 4.759 1.00 0.00 C ATOM 83 CD2 TYR A 6 2.384 -4.323 3.701 1.00 0.00 C ATOM 84 CE1 TYR A 6 1.978 -6.751 5.016 1.00 0.00 C ATOM 85 CE2 TYR A 6 1.056 -4.817 3.959 1.00 0.00 C ATOM 86 CZ TYR A 6 0.919 -6.006 4.603 1.00 0.00 C ATOM 87 OH TYR A 6 -0.336 -6.471 4.846 1.00 0.00 O ATOM 0 H TYR A 6 5.429 -2.562 5.903 1.00 0.00 H new ATOM 0 HA TYR A 6 5.919 -5.426 5.553 1.00 0.00 H new ATOM 0 HB2 TYR A 6 4.821 -3.538 3.390 1.00 0.00 H new ATOM 0 HB3 TYR A 6 5.372 -5.175 3.097 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.165 -6.830 5.077 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.521 -3.381 3.191 1.00 0.00 H new ATOM 0 HE1 TYR A 6 1.827 -7.691 5.525 1.00 0.00 H new ATOM 0 HE2 TYR A 6 0.188 -4.255 3.648 1.00 0.00 H new ATOM 0 HH TYR A 6 -0.994 -5.835 4.496 1.00 0.00 H new ATOM 97 N VAL A 7 7.825 -4.708 3.827 1.00 0.00 N ATOM 98 CA VAL A 7 9.150 -4.339 3.357 1.00 0.00 C ATOM 99 C VAL A 7 9.183 -4.414 1.829 1.00 0.00 C ATOM 100 O VAL A 7 8.553 -5.285 1.234 1.00 0.00 O ATOM 101 CB VAL A 7 10.206 -5.224 4.022 1.00 0.00 C ATOM 102 CG1 VAL A 7 9.553 -6.368 4.800 1.00 0.00 C ATOM 103 CG2 VAL A 7 11.201 -5.759 2.991 1.00 0.00 C ATOM 0 H VAL A 7 7.470 -5.588 3.454 1.00 0.00 H new ATOM 0 HA VAL A 7 9.383 -3.312 3.637 1.00 0.00 H new ATOM 0 HB VAL A 7 10.758 -4.609 4.733 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.326 -6.981 5.263 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.904 -5.958 5.574 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.963 -6.981 4.119 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.941 -6.385 3.490 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.670 -6.350 2.245 1.00 0.00 H new ATOM 0 HG23 VAL A 7 11.703 -4.924 2.502 1.00 0.00 H new ATOM 113 N ILE A 8 9.924 -3.487 1.240 1.00 0.00 N ATOM 114 CA ILE A 8 10.049 -3.437 -0.207 1.00 0.00 C ATOM 115 C ILE A 8 11.260 -4.267 -0.639 1.00 0.00 C ATOM 116 O ILE A 8 12.368 -4.054 -0.151 1.00 0.00 O ATOM 117 CB ILE A 8 10.092 -1.986 -0.691 1.00 0.00 C ATOM 118 CG1 ILE A 8 8.816 -1.239 -0.299 1.00 0.00 C ATOM 119 CG2 ILE A 8 10.357 -1.919 -2.197 1.00 0.00 C ATOM 120 CD1 ILE A 8 7.571 -2.018 -0.726 1.00 0.00 C ATOM 0 H ILE A 8 10.444 -2.765 1.738 1.00 0.00 H new ATOM 0 HA ILE A 8 9.173 -3.881 -0.681 1.00 0.00 H new ATOM 0 HB ILE A 8 10.923 -1.484 -0.195 1.00 0.00 H new ATOM 0 HG12 ILE A 8 8.799 -1.082 0.780 1.00 0.00 H new ATOM 0 HG13 ILE A 8 8.810 -0.253 -0.764 1.00 0.00 H new ATOM 0 HG21 ILE A 8 10.383 -0.877 -2.516 1.00 0.00 H new ATOM 0 HG22 ILE A 8 11.314 -2.390 -2.419 1.00 0.00 H new ATOM 0 HG23 ILE A 8 9.563 -2.442 -2.730 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.678 -1.465 -0.435 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.579 -2.152 -1.808 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.568 -2.994 -0.240 1.00 0.00 H new ATOM 132 N ILE A 9 11.006 -5.194 -1.551 1.00 0.00 N ATOM 133 CA ILE A 9 12.062 -6.056 -2.054 1.00 0.00 C ATOM 134 C ILE A 9 12.187 -5.871 -3.569 1.00 0.00 C ATOM 135 O ILE A 9 13.050 -6.477 -4.203 1.00 0.00 O ATOM 136 CB ILE A 9 11.817 -7.506 -1.630 1.00 0.00 C ATOM 137 CG1 ILE A 9 10.425 -7.974 -2.056 1.00 0.00 C ATOM 138 CG2 ILE A 9 12.048 -7.684 -0.129 1.00 0.00 C ATOM 139 CD1 ILE A 9 10.278 -9.488 -1.884 1.00 0.00 C ATOM 0 H ILE A 9 10.085 -5.367 -1.954 1.00 0.00 H new ATOM 0 HA ILE A 9 13.021 -5.778 -1.618 1.00 0.00 H new ATOM 0 HB ILE A 9 12.540 -8.139 -2.144 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.668 -7.462 -1.462 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.250 -7.704 -3.097 1.00 0.00 H new ATOM 0 HG21 ILE A 9 11.867 -8.723 0.146 1.00 0.00 H new ATOM 0 HG22 ILE A 9 13.076 -7.418 0.115 1.00 0.00 H new ATOM 0 HG23 ILE A 9 11.365 -7.038 0.423 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.279 -9.794 -2.194 1.00 0.00 H new ATOM 0 HD12 ILE A 9 11.021 -9.998 -2.498 1.00 0.00 H new ATOM 0 HD13 ILE A 9 10.430 -9.752 -0.837 1.00 0.00 H new ATOM 151 N ASP A 10 11.313 -5.032 -4.104 1.00 0.00 N ATOM 152 CA ASP A 10 11.315 -4.759 -5.531 1.00 0.00 C ATOM 153 C ASP A 10 12.203 -3.546 -5.813 1.00 0.00 C ATOM 154 O ASP A 10 11.978 -2.467 -5.267 1.00 0.00 O ATOM 155 CB ASP A 10 9.905 -4.440 -6.033 1.00 0.00 C ATOM 156 CG ASP A 10 9.810 -4.100 -7.521 1.00 0.00 C ATOM 157 OD1 ASP A 10 8.730 -3.769 -8.033 1.00 0.00 O ATOM 158 OD2 ASP A 10 10.920 -4.187 -8.173 1.00 0.00 O ATOM 0 H ASP A 10 10.598 -4.532 -3.575 1.00 0.00 H new ATOM 0 HA ASP A 10 11.688 -5.646 -6.043 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.261 -5.295 -5.829 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.512 -3.601 -5.458 1.00 0.00 H new ATOM 164 N GLU A 11 13.193 -3.762 -6.665 1.00 0.00 N ATOM 165 CA GLU A 11 14.116 -2.700 -7.027 1.00 0.00 C ATOM 166 C GLU A 11 13.400 -1.635 -7.858 1.00 0.00 C ATOM 167 O GLU A 11 13.964 -0.578 -8.138 1.00 0.00 O ATOM 168 CB GLU A 11 15.328 -3.257 -7.777 1.00 0.00 C ATOM 169 CG GLU A 11 15.077 -3.274 -9.286 1.00 0.00 C ATOM 170 CD GLU A 11 15.438 -1.927 -9.916 1.00 0.00 C ATOM 171 OE1 GLU A 11 16.488 -1.353 -9.594 1.00 0.00 O ATOM 172 OE2 GLU A 11 14.581 -1.478 -10.770 1.00 0.00 O ATOM 0 H GLU A 11 13.377 -4.658 -7.116 1.00 0.00 H new ATOM 0 HA GLU A 11 14.480 -2.235 -6.111 1.00 0.00 H new ATOM 0 HB2 GLU A 11 16.207 -2.650 -7.557 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.543 -4.267 -7.429 1.00 0.00 H new ATOM 0 HG2 GLU A 11 15.667 -4.066 -9.748 1.00 0.00 H new ATOM 0 HG3 GLU A 11 14.029 -3.502 -9.482 1.00 0.00 H new ATOM 180 N THR A 12 12.167 -1.948 -8.228 1.00 0.00 N ATOM 181 CA THR A 12 11.367 -1.031 -9.022 1.00 0.00 C ATOM 182 C THR A 12 10.595 -0.073 -8.112 1.00 0.00 C ATOM 183 O THR A 12 10.073 0.941 -8.573 1.00 0.00 O ATOM 184 CB THR A 12 10.465 -1.860 -9.938 1.00 0.00 C ATOM 185 OG1 THR A 12 11.374 -2.631 -10.717 1.00 0.00 O ATOM 186 CG2 THR A 12 9.727 -1.001 -10.967 1.00 0.00 C ATOM 0 H THR A 12 11.702 -2.825 -7.992 1.00 0.00 H new ATOM 0 HA THR A 12 11.995 -0.399 -9.649 1.00 0.00 H new ATOM 0 HB THR A 12 9.740 -2.406 -9.335 1.00 0.00 H new ATOM 0 HG1 THR A 12 11.598 -3.456 -10.237 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.101 -1.639 -11.591 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.102 -0.272 -10.451 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.452 -0.480 -11.592 1.00 0.00 H new ATOM 194 N GLY A 13 10.546 -0.429 -6.836 1.00 0.00 N ATOM 195 CA GLY A 13 9.846 0.386 -5.859 1.00 0.00 C ATOM 196 C GLY A 13 8.390 0.609 -6.272 1.00 0.00 C ATOM 197 O GLY A 13 8.121 1.177 -7.329 1.00 0.00 O ATOM 0 H GLY A 13 10.980 -1.271 -6.457 1.00 0.00 H new ATOM 0 HA2 GLY A 13 9.881 -0.099 -4.884 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.349 1.347 -5.755 1.00 0.00 H new ATOM 201 N ILE A 14 7.489 0.150 -5.416 1.00 0.00 N ATOM 202 CA ILE A 14 6.067 0.291 -5.678 1.00 0.00 C ATOM 203 C ILE A 14 5.850 1.413 -6.697 1.00 0.00 C ATOM 204 O ILE A 14 6.095 2.581 -6.399 1.00 0.00 O ATOM 205 CB ILE A 14 5.298 0.491 -4.371 1.00 0.00 C ATOM 206 CG1 ILE A 14 4.351 -0.682 -4.108 1.00 0.00 C ATOM 207 CG2 ILE A 14 4.563 1.833 -4.365 1.00 0.00 C ATOM 208 CD1 ILE A 14 2.972 -0.420 -4.717 1.00 0.00 C ATOM 0 H ILE A 14 7.716 -0.320 -4.540 1.00 0.00 H new ATOM 0 HA ILE A 14 5.668 -0.623 -6.118 1.00 0.00 H new ATOM 0 HB ILE A 14 6.017 0.515 -3.552 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.771 -1.595 -4.530 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.254 -0.842 -3.034 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.025 1.949 -3.424 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.284 2.643 -4.473 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.856 1.864 -5.194 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.318 -1.269 -4.516 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.544 0.480 -4.275 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.070 -0.285 -5.794 1.00 0.00 H new ATOM 220 N HIS A 15 5.394 1.018 -7.875 1.00 0.00 N ATOM 221 CA HIS A 15 5.141 1.975 -8.939 1.00 0.00 C ATOM 222 C HIS A 15 3.635 2.068 -9.200 1.00 0.00 C ATOM 223 O HIS A 15 2.833 1.589 -8.401 1.00 0.00 O ATOM 224 CB HIS A 15 5.939 1.616 -10.194 1.00 0.00 C ATOM 225 CG HIS A 15 6.241 0.143 -10.329 1.00 0.00 C ATOM 226 ND1 HIS A 15 5.775 -0.623 -11.384 1.00 0.00 N ATOM 227 CD2 HIS A 15 6.965 -0.696 -9.534 1.00 0.00 C ATOM 228 CE1 HIS A 15 6.206 -1.867 -11.220 1.00 0.00 C ATOM 229 NE2 HIS A 15 6.942 -1.909 -10.073 1.00 0.00 N ATOM 0 H HIS A 15 5.193 0.048 -8.117 1.00 0.00 H new ATOM 0 HA HIS A 15 5.483 2.963 -8.632 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.383 1.944 -11.072 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.878 2.170 -10.186 1.00 0.00 H new ATOM 0 HD2 HIS A 15 7.471 -0.420 -8.621 1.00 0.00 H new ATOM 0 HE1 HIS A 15 6.009 -2.700 -11.879 1.00 0.00 H new ATOM 0 HE2 HIS A 15 7.400 -2.737 -9.692 1.00 0.00 H new ATOM 237 N ALA A 16 3.298 2.686 -10.322 1.00 0.00 N ATOM 238 CA ALA A 16 1.905 2.847 -10.699 1.00 0.00 C ATOM 239 C ALA A 16 1.306 1.476 -11.017 1.00 0.00 C ATOM 240 O ALA A 16 0.097 1.280 -10.895 1.00 0.00 O ATOM 241 CB ALA A 16 1.803 3.817 -11.878 1.00 0.00 C ATOM 0 H ALA A 16 3.967 3.082 -10.983 1.00 0.00 H new ATOM 0 HA ALA A 16 1.332 3.274 -9.876 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.757 3.937 -12.161 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.215 4.784 -11.590 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.364 3.421 -12.724 1.00 0.00 H new ATOM 247 N ARG A 17 2.178 0.563 -11.418 1.00 0.00 N ATOM 248 CA ARG A 17 1.749 -0.784 -11.755 1.00 0.00 C ATOM 249 C ARG A 17 1.047 -1.432 -10.560 1.00 0.00 C ATOM 250 O ARG A 17 -0.148 -1.719 -10.618 1.00 0.00 O ATOM 251 CB ARG A 17 2.938 -1.652 -12.172 1.00 0.00 C ATOM 252 CG ARG A 17 2.889 -1.967 -13.668 1.00 0.00 C ATOM 253 CD ARG A 17 3.799 -3.149 -14.010 1.00 0.00 C ATOM 254 NE ARG A 17 4.962 -2.681 -14.796 1.00 0.00 N ATOM 255 CZ ARG A 17 6.166 -3.267 -14.778 1.00 0.00 C ATOM 256 NH1 ARG A 17 6.375 -4.347 -14.013 1.00 0.00 N ATOM 257 NH2 ARG A 17 7.163 -2.773 -15.526 1.00 0.00 N ATOM 0 H ARG A 17 3.179 0.729 -11.517 1.00 0.00 H new ATOM 0 HA ARG A 17 1.055 -0.712 -12.592 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.869 -1.137 -11.935 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.933 -2.580 -11.601 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.864 -2.195 -13.962 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.196 -1.090 -14.238 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.139 -3.633 -13.095 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.242 -3.895 -14.577 1.00 0.00 H new ATOM 0 HE ARG A 17 4.839 -1.860 -15.389 1.00 0.00 H new ATOM 0 HH11 ARG A 17 5.617 -4.723 -13.444 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.292 -4.793 -14.000 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.004 -1.951 -16.109 1.00 0.00 H new ATOM 0 HH22 ARG A 17 8.080 -3.219 -15.512 1.00 0.00 H new ATOM 271 N PRO A 18 1.841 -1.649 -9.476 1.00 0.00 N ATOM 272 CA PRO A 18 1.308 -2.258 -8.270 1.00 0.00 C ATOM 273 C PRO A 18 0.450 -1.262 -7.485 1.00 0.00 C ATOM 274 O PRO A 18 -0.673 -1.578 -7.097 1.00 0.00 O ATOM 275 CB PRO A 18 2.528 -2.729 -7.495 1.00 0.00 C ATOM 276 CG PRO A 18 3.708 -1.960 -8.067 1.00 0.00 C ATOM 277 CD PRO A 18 3.260 -1.322 -9.372 1.00 0.00 C ATOM 0 HA PRO A 18 0.639 -3.092 -8.481 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.413 -2.532 -6.429 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.671 -3.804 -7.607 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.043 -1.197 -7.364 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.552 -2.628 -8.239 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.418 -0.244 -9.360 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.821 -1.717 -10.219 1.00 0.00 H new ATOM 285 N ALA A 19 1.014 -0.082 -7.276 1.00 0.00 N ATOM 286 CA ALA A 19 0.315 0.962 -6.546 1.00 0.00 C ATOM 287 C ALA A 19 -1.147 1.004 -6.997 1.00 0.00 C ATOM 288 O ALA A 19 -2.024 1.403 -6.234 1.00 0.00 O ATOM 289 CB ALA A 19 1.029 2.298 -6.756 1.00 0.00 C ATOM 0 H ALA A 19 1.947 0.175 -7.599 1.00 0.00 H new ATOM 0 HA ALA A 19 0.323 0.753 -5.476 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.504 3.081 -6.208 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.054 2.224 -6.391 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.039 2.542 -7.818 1.00 0.00 H new ATOM 295 N THR A 20 -1.361 0.586 -8.236 1.00 0.00 N ATOM 296 CA THR A 20 -2.702 0.571 -8.798 1.00 0.00 C ATOM 297 C THR A 20 -3.518 -0.576 -8.199 1.00 0.00 C ATOM 298 O THR A 20 -4.576 -0.348 -7.613 1.00 0.00 O ATOM 299 CB THR A 20 -2.574 0.494 -10.322 1.00 0.00 C ATOM 300 OG1 THR A 20 -2.637 1.854 -10.744 1.00 0.00 O ATOM 301 CG2 THR A 20 -3.792 -0.157 -10.979 1.00 0.00 C ATOM 0 H THR A 20 -0.630 0.256 -8.866 1.00 0.00 H new ATOM 0 HA THR A 20 -3.247 1.481 -8.548 1.00 0.00 H new ATOM 0 HB THR A 20 -1.677 -0.068 -10.584 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.735 2.174 -10.953 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.650 -0.187 -12.059 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.910 -1.172 -10.600 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.685 0.423 -10.746 1.00 0.00 H new ATOM 309 N MET A 21 -2.997 -1.782 -8.367 1.00 0.00 N ATOM 310 CA MET A 21 -3.665 -2.964 -7.848 1.00 0.00 C ATOM 311 C MET A 21 -3.913 -2.839 -6.344 1.00 0.00 C ATOM 312 O MET A 21 -5.016 -3.105 -5.870 1.00 0.00 O ATOM 313 CB MET A 21 -2.804 -4.199 -8.123 1.00 0.00 C ATOM 314 CG MET A 21 -2.637 -4.427 -9.628 1.00 0.00 C ATOM 315 SD MET A 21 -2.212 -6.131 -9.943 1.00 0.00 S ATOM 316 CE MET A 21 -3.816 -6.772 -10.395 1.00 0.00 C ATOM 0 H MET A 21 -2.120 -1.967 -8.855 1.00 0.00 H new ATOM 0 HA MET A 21 -4.628 -3.063 -8.348 1.00 0.00 H new ATOM 0 HB2 MET A 21 -1.825 -4.075 -7.659 1.00 0.00 H new ATOM 0 HB3 MET A 21 -3.264 -5.076 -7.667 1.00 0.00 H new ATOM 0 HG2 MET A 21 -3.561 -4.172 -10.148 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.859 -3.771 -10.020 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.732 -7.834 -10.625 1.00 0.00 H new ATOM 0 HE2 MET A 21 -4.510 -6.635 -9.565 1.00 0.00 H new ATOM 0 HE3 MET A 21 -4.187 -6.239 -11.270 1.00 0.00 H new ATOM 326 N LEU A 22 -2.868 -2.436 -5.636 1.00 0.00 N ATOM 327 CA LEU A 22 -2.959 -2.272 -4.195 1.00 0.00 C ATOM 328 C LEU A 22 -4.028 -1.227 -3.870 1.00 0.00 C ATOM 329 O LEU A 22 -4.910 -1.470 -3.049 1.00 0.00 O ATOM 330 CB LEU A 22 -1.584 -1.951 -3.605 1.00 0.00 C ATOM 331 CG LEU A 22 -1.076 -2.909 -2.526 1.00 0.00 C ATOM 332 CD1 LEU A 22 -0.196 -4.003 -3.134 1.00 0.00 C ATOM 333 CD2 LEU A 22 -0.357 -2.148 -1.411 1.00 0.00 C ATOM 0 H LEU A 22 -1.954 -2.218 -6.033 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.273 -3.204 -3.725 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.858 -1.933 -4.417 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.617 -0.946 -3.184 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.937 -3.402 -2.075 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.152 -4.670 -2.345 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.774 -4.572 -3.862 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.662 -3.547 -3.628 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.006 -2.853 -0.657 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.494 -1.609 -1.828 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.046 -1.439 -0.952 1.00 0.00 H new ATOM 345 N VAL A 23 -3.914 -0.086 -4.533 1.00 0.00 N ATOM 346 CA VAL A 23 -4.860 0.998 -4.326 1.00 0.00 C ATOM 347 C VAL A 23 -6.259 0.531 -4.729 1.00 0.00 C ATOM 348 O VAL A 23 -7.237 0.823 -4.041 1.00 0.00 O ATOM 349 CB VAL A 23 -4.403 2.244 -5.087 1.00 0.00 C ATOM 350 CG1 VAL A 23 -5.585 3.170 -5.383 1.00 0.00 C ATOM 351 CG2 VAL A 23 -3.306 2.985 -4.319 1.00 0.00 C ATOM 0 H VAL A 23 -3.181 0.112 -5.214 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.900 1.274 -3.272 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.984 1.919 -6.039 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.233 4.048 -5.925 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.319 2.640 -5.990 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.046 3.483 -4.446 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.999 3.866 -4.882 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.687 3.291 -3.345 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.449 2.326 -4.182 1.00 0.00 H new ATOM 361 N GLN A 24 -6.312 -0.186 -5.842 1.00 0.00 N ATOM 362 CA GLN A 24 -7.577 -0.695 -6.344 1.00 0.00 C ATOM 363 C GLN A 24 -8.203 -1.656 -5.331 1.00 0.00 C ATOM 364 O GLN A 24 -9.292 -1.402 -4.821 1.00 0.00 O ATOM 365 CB GLN A 24 -7.393 -1.376 -7.703 1.00 0.00 C ATOM 366 CG GLN A 24 -8.647 -1.223 -8.566 1.00 0.00 C ATOM 367 CD GLN A 24 -8.516 -2.017 -9.867 1.00 0.00 C ATOM 368 OE1 GLN A 24 -9.205 -2.997 -10.098 1.00 0.00 O ATOM 369 NE2 GLN A 24 -7.595 -1.542 -10.702 1.00 0.00 N ATOM 0 H GLN A 24 -5.500 -0.426 -6.410 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.255 0.147 -6.484 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.537 -0.941 -8.219 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.174 -2.434 -7.557 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.519 -1.568 -8.011 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.810 -0.170 -8.793 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.052 -0.717 -10.447 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.432 -2.003 -11.597 1.00 0.00 H new ATOM 378 N THR A 25 -7.486 -2.739 -5.070 1.00 0.00 N ATOM 379 CA THR A 25 -7.957 -3.739 -4.126 1.00 0.00 C ATOM 380 C THR A 25 -8.252 -3.096 -2.770 1.00 0.00 C ATOM 381 O THR A 25 -9.060 -3.609 -1.998 1.00 0.00 O ATOM 382 CB THR A 25 -6.911 -4.853 -4.056 1.00 0.00 C ATOM 383 OG1 THR A 25 -7.504 -5.933 -4.770 1.00 0.00 O ATOM 384 CG2 THR A 25 -6.730 -5.398 -2.638 1.00 0.00 C ATOM 0 H THR A 25 -6.582 -2.946 -5.496 1.00 0.00 H new ATOM 0 HA THR A 25 -8.899 -4.179 -4.453 1.00 0.00 H new ATOM 0 HB THR A 25 -5.957 -4.477 -4.425 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.891 -6.698 -4.775 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.977 -6.186 -2.644 1.00 0.00 H new ATOM 0 HG22 THR A 25 -6.408 -4.593 -1.977 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.676 -5.804 -2.281 1.00 0.00 H new ATOM 392 N ALA A 26 -7.580 -1.980 -2.522 1.00 0.00 N ATOM 393 CA ALA A 26 -7.759 -1.261 -1.272 1.00 0.00 C ATOM 394 C ALA A 26 -9.164 -0.655 -1.236 1.00 0.00 C ATOM 395 O ALA A 26 -9.922 -0.892 -0.296 1.00 0.00 O ATOM 396 CB ALA A 26 -6.663 -0.203 -1.130 1.00 0.00 C ATOM 0 H ALA A 26 -6.911 -1.557 -3.166 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.669 -1.938 -0.422 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.797 0.336 -0.192 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.687 -0.688 -1.133 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.723 0.497 -1.963 1.00 0.00 H new ATOM 402 N SER A 27 -9.468 0.116 -2.269 1.00 0.00 N ATOM 403 CA SER A 27 -10.768 0.760 -2.367 1.00 0.00 C ATOM 404 C SER A 27 -11.832 -0.270 -2.751 1.00 0.00 C ATOM 405 O SER A 27 -12.940 -0.253 -2.216 1.00 0.00 O ATOM 406 CB SER A 27 -10.743 1.903 -3.383 1.00 0.00 C ATOM 407 OG SER A 27 -9.911 1.604 -4.501 1.00 0.00 O ATOM 0 H SER A 27 -8.837 0.310 -3.046 1.00 0.00 H new ATOM 0 HA SER A 27 -11.015 1.184 -1.393 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.757 2.103 -3.729 1.00 0.00 H new ATOM 0 HB3 SER A 27 -10.386 2.812 -2.898 1.00 0.00 H new ATOM 0 HG SER A 27 -9.922 2.357 -5.128 1.00 0.00 H new ATOM 413 N LYS A 28 -11.460 -1.141 -3.677 1.00 0.00 N ATOM 414 CA LYS A 28 -12.370 -2.176 -4.140 1.00 0.00 C ATOM 415 C LYS A 28 -13.264 -2.618 -2.980 1.00 0.00 C ATOM 416 O LYS A 28 -14.439 -2.923 -3.180 1.00 0.00 O ATOM 417 CB LYS A 28 -11.591 -3.321 -4.789 1.00 0.00 C ATOM 418 CG LYS A 28 -10.977 -2.882 -6.120 1.00 0.00 C ATOM 419 CD LYS A 28 -11.886 -3.252 -7.293 1.00 0.00 C ATOM 420 CE LYS A 28 -11.936 -4.768 -7.491 1.00 0.00 C ATOM 421 NZ LYS A 28 -10.644 -5.383 -7.114 1.00 0.00 N ATOM 0 H LYS A 28 -10.541 -1.152 -4.120 1.00 0.00 H new ATOM 0 HA LYS A 28 -13.027 -1.788 -4.918 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.804 -3.658 -4.115 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.255 -4.170 -4.953 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.811 -1.805 -6.110 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.003 -3.353 -6.248 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.892 -2.872 -7.112 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.523 -2.775 -8.203 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.738 -5.193 -6.887 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.165 -4.997 -8.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.614 -6.365 -7.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.865 -4.844 -7.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.544 -5.373 -6.079 1.00 0.00 H new ATOM 435 N PHE A 29 -12.672 -2.642 -1.796 1.00 0.00 N ATOM 436 CA PHE A 29 -13.401 -3.043 -0.603 1.00 0.00 C ATOM 437 C PHE A 29 -14.343 -1.932 -0.137 1.00 0.00 C ATOM 438 O PHE A 29 -15.471 -1.826 -0.617 1.00 0.00 O ATOM 439 CB PHE A 29 -12.362 -3.306 0.488 1.00 0.00 C ATOM 440 CG PHE A 29 -11.550 -4.587 0.279 1.00 0.00 C ATOM 441 CD1 PHE A 29 -12.170 -5.796 0.306 1.00 0.00 C ATOM 442 CD2 PHE A 29 -10.209 -4.514 0.067 1.00 0.00 C ATOM 443 CE1 PHE A 29 -11.417 -6.985 0.112 1.00 0.00 C ATOM 444 CE2 PHE A 29 -9.456 -5.702 -0.127 1.00 0.00 C ATOM 445 CZ PHE A 29 -10.075 -6.913 -0.100 1.00 0.00 C ATOM 0 H PHE A 29 -11.697 -2.391 -1.636 1.00 0.00 H new ATOM 0 HA PHE A 29 -14.002 -3.927 -0.814 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -11.678 -2.458 0.536 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -12.868 -3.362 1.452 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -13.235 -5.853 0.475 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -9.717 -3.553 0.046 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -11.910 -7.946 0.133 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.391 -5.644 -0.296 1.00 0.00 H new ATOM 0 HZ PHE A 29 -9.502 -7.816 -0.247 1.00 0.00 H new ATOM 455 N ASP A 30 -13.847 -1.130 0.794 1.00 0.00 N ATOM 456 CA ASP A 30 -14.630 -0.031 1.331 1.00 0.00 C ATOM 457 C ASP A 30 -13.843 0.651 2.451 1.00 0.00 C ATOM 458 O ASP A 30 -13.710 1.874 2.465 1.00 0.00 O ATOM 459 CB ASP A 30 -15.951 -0.532 1.919 1.00 0.00 C ATOM 460 CG ASP A 30 -16.760 0.520 2.681 1.00 0.00 C ATOM 461 OD1 ASP A 30 -17.118 0.325 3.852 1.00 0.00 O ATOM 462 OD2 ASP A 30 -17.026 1.592 2.014 1.00 0.00 O ATOM 0 H ASP A 30 -12.911 -1.220 1.190 1.00 0.00 H new ATOM 0 HA ASP A 30 -14.838 0.664 0.517 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -16.566 -0.925 1.109 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -15.740 -1.363 2.591 1.00 0.00 H new ATOM 468 N SER A 31 -13.342 -0.169 3.364 1.00 0.00 N ATOM 469 CA SER A 31 -12.572 0.340 4.486 1.00 0.00 C ATOM 470 C SER A 31 -11.679 1.494 4.026 1.00 0.00 C ATOM 471 O SER A 31 -11.264 1.541 2.869 1.00 0.00 O ATOM 472 CB SER A 31 -11.726 -0.766 5.120 1.00 0.00 C ATOM 473 OG SER A 31 -11.906 -2.018 4.465 1.00 0.00 O ATOM 0 H SER A 31 -13.455 -1.183 3.349 1.00 0.00 H new ATOM 0 HA SER A 31 -13.268 0.706 5.241 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.674 -0.485 5.081 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.991 -0.866 6.173 1.00 0.00 H new ATOM 0 HG SER A 31 -11.572 -1.957 3.546 1.00 0.00 H new ATOM 479 N ASP A 32 -11.410 2.398 4.956 1.00 0.00 N ATOM 480 CA ASP A 32 -10.573 3.549 4.661 1.00 0.00 C ATOM 481 C ASP A 32 -9.104 3.171 4.860 1.00 0.00 C ATOM 482 O ASP A 32 -8.505 3.506 5.881 1.00 0.00 O ATOM 483 CB ASP A 32 -10.891 4.715 5.599 1.00 0.00 C ATOM 484 CG ASP A 32 -12.346 4.790 6.069 1.00 0.00 C ATOM 485 OD1 ASP A 32 -13.277 4.471 5.315 1.00 0.00 O ATOM 486 OD2 ASP A 32 -12.507 5.201 7.281 1.00 0.00 O ATOM 0 H ASP A 32 -11.757 2.357 5.914 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.765 3.850 3.631 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.246 4.644 6.474 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.640 5.647 5.093 1.00 0.00 H new ATOM 492 N ILE A 33 -8.565 2.477 3.868 1.00 0.00 N ATOM 493 CA ILE A 33 -7.178 2.049 3.921 1.00 0.00 C ATOM 494 C ILE A 33 -6.271 3.226 3.557 1.00 0.00 C ATOM 495 O ILE A 33 -6.633 4.060 2.728 1.00 0.00 O ATOM 496 CB ILE A 33 -6.965 0.814 3.043 1.00 0.00 C ATOM 497 CG1 ILE A 33 -7.947 -0.299 3.412 1.00 0.00 C ATOM 498 CG2 ILE A 33 -5.511 0.340 3.106 1.00 0.00 C ATOM 499 CD1 ILE A 33 -8.764 -0.738 2.195 1.00 0.00 C ATOM 0 H ILE A 33 -9.064 2.201 3.023 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.912 1.743 4.933 1.00 0.00 H new ATOM 0 HB ILE A 33 -7.169 1.092 2.009 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.400 -1.152 3.814 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.617 0.049 4.198 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.387 -0.539 2.473 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.853 1.135 2.755 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.256 0.085 4.135 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.454 -1.530 2.486 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.328 0.111 1.810 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.093 -1.108 1.420 1.00 0.00 H new ATOM 511 N GLN A 34 -5.110 3.257 4.194 1.00 0.00 N ATOM 512 CA GLN A 34 -4.150 4.318 3.948 1.00 0.00 C ATOM 513 C GLN A 34 -2.738 3.739 3.833 1.00 0.00 C ATOM 514 O GLN A 34 -2.402 2.770 4.513 1.00 0.00 O ATOM 515 CB GLN A 34 -4.217 5.384 5.044 1.00 0.00 C ATOM 516 CG GLN A 34 -2.855 5.567 5.717 1.00 0.00 C ATOM 517 CD GLN A 34 -2.883 6.735 6.704 1.00 0.00 C ATOM 518 OE1 GLN A 34 -2.883 6.561 7.911 1.00 0.00 O ATOM 519 NE2 GLN A 34 -2.906 7.932 6.125 1.00 0.00 N ATOM 0 H GLN A 34 -4.813 2.564 4.880 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.404 4.799 3.003 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.545 6.331 4.615 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.959 5.098 5.789 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.578 4.651 6.240 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.092 5.745 4.959 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.904 8.007 5.108 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.925 8.775 6.698 1.00 0.00 H new ATOM 528 N LEU A 35 -1.947 4.358 2.967 1.00 0.00 N ATOM 529 CA LEU A 35 -0.580 3.916 2.754 1.00 0.00 C ATOM 530 C LEU A 35 0.355 4.703 3.675 1.00 0.00 C ATOM 531 O LEU A 35 0.097 5.867 3.980 1.00 0.00 O ATOM 532 CB LEU A 35 -0.210 4.015 1.273 1.00 0.00 C ATOM 533 CG LEU A 35 0.926 3.104 0.804 1.00 0.00 C ATOM 534 CD1 LEU A 35 1.066 3.143 -0.719 1.00 0.00 C ATOM 535 CD2 LEU A 35 2.238 3.457 1.508 1.00 0.00 C ATOM 0 H LEU A 35 -2.228 5.162 2.405 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.475 2.863 3.016 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.097 3.790 0.681 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.065 5.047 1.056 1.00 0.00 H new ATOM 0 HG LEU A 35 0.678 2.079 1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.880 2.487 -1.026 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.136 2.807 -1.179 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.281 4.163 -1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.029 2.795 1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.504 4.490 1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.117 3.338 2.585 1.00 0.00 H new ATOM 547 N GLU A 36 1.420 4.037 4.094 1.00 0.00 N ATOM 548 CA GLU A 36 2.394 4.659 4.975 1.00 0.00 C ATOM 549 C GLU A 36 3.805 4.176 4.631 1.00 0.00 C ATOM 550 O GLU A 36 3.987 3.044 4.186 1.00 0.00 O ATOM 551 CB GLU A 36 2.062 4.382 6.442 1.00 0.00 C ATOM 552 CG GLU A 36 3.241 4.742 7.348 1.00 0.00 C ATOM 553 CD GLU A 36 3.001 4.256 8.779 1.00 0.00 C ATOM 554 OE1 GLU A 36 2.913 3.042 9.016 1.00 0.00 O ATOM 555 OE2 GLU A 36 2.907 5.191 9.663 1.00 0.00 O ATOM 0 H GLU A 36 1.630 3.072 3.840 1.00 0.00 H new ATOM 0 HA GLU A 36 2.354 5.738 4.825 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.184 4.958 6.735 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.809 3.329 6.569 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.155 4.295 6.957 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.389 5.822 7.347 1.00 0.00 H new ATOM 563 N TYR A 37 4.768 5.059 4.851 1.00 0.00 N ATOM 564 CA TYR A 37 6.157 4.738 4.571 1.00 0.00 C ATOM 565 C TYR A 37 7.100 5.597 5.413 1.00 0.00 C ATOM 566 O TYR A 37 7.204 6.804 5.200 1.00 0.00 O ATOM 567 CB TYR A 37 6.374 5.064 3.092 1.00 0.00 C ATOM 568 CG TYR A 37 7.826 4.920 2.629 1.00 0.00 C ATOM 569 CD1 TYR A 37 8.646 3.976 3.213 1.00 0.00 C ATOM 570 CD2 TYR A 37 8.315 5.735 1.629 1.00 0.00 C ATOM 571 CE1 TYR A 37 10.012 3.842 2.779 1.00 0.00 C ATOM 572 CE2 TYR A 37 9.681 5.601 1.194 1.00 0.00 C ATOM 573 CZ TYR A 37 10.462 4.661 1.791 1.00 0.00 C ATOM 574 OH TYR A 37 11.753 4.534 1.380 1.00 0.00 O ATOM 0 H TYR A 37 4.613 5.997 5.220 1.00 0.00 H new ATOM 0 HA TYR A 37 6.364 3.694 4.805 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.745 4.408 2.490 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.043 6.085 2.903 1.00 0.00 H new ATOM 0 HD1 TYR A 37 8.263 3.338 3.996 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.673 6.474 1.172 1.00 0.00 H new ATOM 0 HE1 TYR A 37 10.665 3.108 3.228 1.00 0.00 H new ATOM 0 HE2 TYR A 37 10.076 6.232 0.412 1.00 0.00 H new ATOM 0 HH TYR A 37 11.792 4.589 0.402 1.00 0.00 H new ATOM 584 N ASN A 38 7.763 4.943 6.356 1.00 0.00 N ATOM 585 CA ASN A 38 8.695 5.633 7.233 1.00 0.00 C ATOM 586 C ASN A 38 8.017 6.874 7.814 1.00 0.00 C ATOM 587 O ASN A 38 8.582 7.966 7.784 1.00 0.00 O ATOM 588 CB ASN A 38 9.938 6.087 6.466 1.00 0.00 C ATOM 589 CG ASN A 38 9.566 7.064 5.349 1.00 0.00 C ATOM 590 OD1 ASN A 38 9.066 8.152 5.581 1.00 0.00 O ATOM 591 ND2 ASN A 38 9.840 6.617 4.126 1.00 0.00 N ATOM 0 H ASN A 38 7.673 3.942 6.532 1.00 0.00 H new ATOM 0 HA ASN A 38 8.991 4.942 8.022 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.639 6.563 7.152 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.445 5.220 6.042 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.631 7.196 3.313 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.259 5.695 4.002 1.00 0.00 H new ATOM 598 N GLY A 39 6.813 6.666 8.329 1.00 0.00 N ATOM 599 CA GLY A 39 6.052 7.755 8.917 1.00 0.00 C ATOM 600 C GLY A 39 5.381 8.602 7.833 1.00 0.00 C ATOM 601 O GLY A 39 4.719 9.593 8.137 1.00 0.00 O ATOM 0 H GLY A 39 6.346 5.759 8.351 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.295 7.353 9.590 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.711 8.382 9.517 1.00 0.00 H new ATOM 605 N LYS A 40 5.576 8.181 6.592 1.00 0.00 N ATOM 606 CA LYS A 40 4.998 8.888 5.463 1.00 0.00 C ATOM 607 C LYS A 40 3.692 8.205 5.053 1.00 0.00 C ATOM 608 O LYS A 40 3.696 7.301 4.218 1.00 0.00 O ATOM 609 CB LYS A 40 6.014 9.005 4.326 1.00 0.00 C ATOM 610 CG LYS A 40 6.190 10.462 3.894 1.00 0.00 C ATOM 611 CD LYS A 40 7.235 11.168 4.760 1.00 0.00 C ATOM 612 CE LYS A 40 7.512 12.581 4.241 1.00 0.00 C ATOM 613 NZ LYS A 40 8.601 12.561 3.239 1.00 0.00 N ATOM 0 H LYS A 40 6.126 7.359 6.344 1.00 0.00 H new ATOM 0 HA LYS A 40 4.749 9.912 5.743 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.973 8.599 4.648 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.684 8.408 3.476 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.493 10.501 2.848 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.237 10.985 3.969 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.885 11.217 5.791 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.159 10.590 4.764 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.607 12.995 3.795 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.785 13.233 5.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.776 13.528 2.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.467 12.186 3.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.326 11.956 2.439 1.00 0.00 H new ATOM 627 N LYS A 41 2.606 8.662 5.658 1.00 0.00 N ATOM 628 CA LYS A 41 1.296 8.106 5.365 1.00 0.00 C ATOM 629 C LYS A 41 0.674 8.865 4.191 1.00 0.00 C ATOM 630 O LYS A 41 0.942 10.050 4.003 1.00 0.00 O ATOM 631 CB LYS A 41 0.424 8.097 6.623 1.00 0.00 C ATOM 632 CG LYS A 41 1.155 7.431 7.791 1.00 0.00 C ATOM 633 CD LYS A 41 2.072 8.428 8.503 1.00 0.00 C ATOM 634 CE LYS A 41 1.783 8.463 10.005 1.00 0.00 C ATOM 635 NZ LYS A 41 0.385 8.880 10.253 1.00 0.00 N ATOM 0 H LYS A 41 2.606 9.411 6.350 1.00 0.00 H new ATOM 0 HA LYS A 41 1.385 7.064 5.059 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.156 9.119 6.892 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.506 7.566 6.421 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.429 7.030 8.498 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.742 6.589 7.425 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.113 8.153 8.336 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.933 9.422 8.079 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.957 7.478 10.438 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.468 9.154 10.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.328 9.378 11.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.072 9.515 9.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.228 8.041 10.278 1.00 0.00 H new ATOM 649 N VAL A 42 -0.144 8.150 3.432 1.00 0.00 N ATOM 650 CA VAL A 42 -0.806 8.742 2.283 1.00 0.00 C ATOM 651 C VAL A 42 -2.148 8.044 2.057 1.00 0.00 C ATOM 652 O VAL A 42 -2.607 7.283 2.908 1.00 0.00 O ATOM 653 CB VAL A 42 0.113 8.680 1.061 1.00 0.00 C ATOM 654 CG1 VAL A 42 1.580 8.582 1.483 1.00 0.00 C ATOM 655 CG2 VAL A 42 -0.272 7.517 0.144 1.00 0.00 C ATOM 0 H VAL A 42 -0.363 7.166 3.591 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.015 9.796 2.464 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.013 9.606 0.500 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.212 8.539 0.596 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.847 9.456 2.077 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.728 7.681 2.078 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.397 7.496 -0.717 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.188 6.578 0.692 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.299 7.647 -0.197 1.00 0.00 H new ATOM 665 N ASN A 43 -2.741 8.327 0.907 1.00 0.00 N ATOM 666 CA ASN A 43 -4.022 7.736 0.558 1.00 0.00 C ATOM 667 C ASN A 43 -3.788 6.492 -0.300 1.00 0.00 C ATOM 668 O ASN A 43 -3.253 6.586 -1.404 1.00 0.00 O ATOM 669 CB ASN A 43 -4.879 8.714 -0.249 1.00 0.00 C ATOM 670 CG ASN A 43 -6.275 8.850 0.360 1.00 0.00 C ATOM 671 OD1 ASN A 43 -6.641 9.873 0.915 1.00 0.00 O ATOM 672 ND2 ASN A 43 -7.033 7.765 0.225 1.00 0.00 N ATOM 0 H ASN A 43 -2.358 8.959 0.204 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.540 7.483 1.483 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.394 9.690 -0.278 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.960 8.368 -1.279 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.983 7.757 0.597 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.665 6.942 -0.251 1.00 0.00 H new ATOM 679 N LEU A 44 -4.199 5.354 0.240 1.00 0.00 N ATOM 680 CA LEU A 44 -4.041 4.091 -0.463 1.00 0.00 C ATOM 681 C LEU A 44 -5.143 3.957 -1.515 1.00 0.00 C ATOM 682 O LEU A 44 -5.424 2.856 -1.988 1.00 0.00 O ATOM 683 CB LEU A 44 -3.992 2.928 0.529 1.00 0.00 C ATOM 684 CG LEU A 44 -3.916 1.528 -0.083 1.00 0.00 C ATOM 685 CD1 LEU A 44 -3.145 1.548 -1.405 1.00 0.00 C ATOM 686 CD2 LEU A 44 -3.322 0.527 0.910 1.00 0.00 C ATOM 0 H LEU A 44 -4.641 5.280 1.156 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.089 4.066 -0.993 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.128 3.067 1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.878 2.979 1.162 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.931 1.198 -0.306 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.106 0.540 -1.819 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.648 2.210 -2.110 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.131 1.908 -1.230 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.279 -0.460 0.450 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.316 0.842 1.187 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.947 0.485 1.802 1.00 0.00 H new ATOM 698 N LYS A 45 -5.739 5.092 -1.851 1.00 0.00 N ATOM 699 CA LYS A 45 -6.805 5.114 -2.838 1.00 0.00 C ATOM 700 C LYS A 45 -6.383 5.993 -4.018 1.00 0.00 C ATOM 701 O LYS A 45 -7.164 6.216 -4.941 1.00 0.00 O ATOM 702 CB LYS A 45 -8.124 5.543 -2.193 1.00 0.00 C ATOM 703 CG LYS A 45 -8.179 5.120 -0.724 1.00 0.00 C ATOM 704 CD LYS A 45 -8.918 3.789 -0.565 1.00 0.00 C ATOM 705 CE LYS A 45 -10.305 4.002 0.042 1.00 0.00 C ATOM 706 NZ LYS A 45 -10.896 2.708 0.453 1.00 0.00 N ATOM 0 H LYS A 45 -5.504 6.003 -1.457 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.980 4.113 -3.232 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.235 6.625 -2.268 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.959 5.099 -2.735 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.167 5.028 -0.330 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.680 5.891 -0.138 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.013 3.303 -1.536 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.338 3.120 0.071 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.233 4.666 0.904 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.955 4.491 -0.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.826 2.592 0.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.270 1.931 0.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.008 2.690 1.487 1.00 0.00 H new ATOM 720 N SER A 46 -5.148 6.468 -3.949 1.00 0.00 N ATOM 721 CA SER A 46 -4.613 7.317 -4.999 1.00 0.00 C ATOM 722 C SER A 46 -3.187 6.886 -5.346 1.00 0.00 C ATOM 723 O SER A 46 -2.421 6.496 -4.466 1.00 0.00 O ATOM 724 CB SER A 46 -4.636 8.789 -4.582 1.00 0.00 C ATOM 725 OG SER A 46 -4.653 9.663 -5.708 1.00 0.00 O ATOM 0 H SER A 46 -4.503 6.281 -3.182 1.00 0.00 H new ATOM 0 HA SER A 46 -5.243 7.207 -5.882 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.514 8.977 -3.964 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.762 9.006 -3.968 1.00 0.00 H new ATOM 0 HG SER A 46 -5.260 10.412 -5.532 1.00 0.00 H new ATOM 731 N ILE A 47 -2.872 6.970 -6.631 1.00 0.00 N ATOM 732 CA ILE A 47 -1.552 6.593 -7.104 1.00 0.00 C ATOM 733 C ILE A 47 -0.579 7.748 -6.860 1.00 0.00 C ATOM 734 O ILE A 47 0.459 7.567 -6.224 1.00 0.00 O ATOM 735 CB ILE A 47 -1.616 6.140 -8.564 1.00 0.00 C ATOM 736 CG1 ILE A 47 -0.958 4.770 -8.743 1.00 0.00 C ATOM 737 CG2 ILE A 47 -1.007 7.193 -9.492 1.00 0.00 C ATOM 738 CD1 ILE A 47 -1.643 3.715 -7.872 1.00 0.00 C ATOM 0 H ILE A 47 -3.509 7.294 -7.359 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.176 5.736 -6.545 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.664 6.033 -8.842 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.010 4.472 -9.790 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.098 4.833 -8.481 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.065 6.846 -10.524 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.558 8.128 -9.392 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.036 7.356 -9.222 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.156 2.751 -8.018 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.568 4.004 -6.824 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.693 3.637 -8.153 1.00 0.00 H new ATOM 750 N MET A 48 -0.947 8.910 -7.380 1.00 0.00 N ATOM 751 CA MET A 48 -0.120 10.094 -7.227 1.00 0.00 C ATOM 752 C MET A 48 0.507 10.149 -5.832 1.00 0.00 C ATOM 753 O MET A 48 1.587 10.711 -5.654 1.00 0.00 O ATOM 754 CB MET A 48 -0.971 11.345 -7.454 1.00 0.00 C ATOM 755 CG MET A 48 -2.327 11.219 -6.757 1.00 0.00 C ATOM 756 SD MET A 48 -2.721 12.739 -5.910 1.00 0.00 S ATOM 757 CE MET A 48 -4.258 13.155 -6.718 1.00 0.00 C ATOM 0 H MET A 48 -1.807 9.056 -7.908 1.00 0.00 H new ATOM 0 HA MET A 48 0.682 10.051 -7.964 1.00 0.00 H new ATOM 0 HB2 MET A 48 -0.444 12.221 -7.076 1.00 0.00 H new ATOM 0 HB3 MET A 48 -1.120 11.499 -8.523 1.00 0.00 H new ATOM 0 HG2 MET A 48 -3.101 10.990 -7.489 1.00 0.00 H new ATOM 0 HG3 MET A 48 -2.305 10.392 -6.047 1.00 0.00 H new ATOM 0 HE1 MET A 48 -4.646 14.086 -6.305 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.086 13.276 -7.787 1.00 0.00 H new ATOM 0 HE3 MET A 48 -4.982 12.357 -6.555 1.00 0.00 H new ATOM 767 N GLY A 49 -0.198 9.557 -4.879 1.00 0.00 N ATOM 768 CA GLY A 49 0.277 9.531 -3.505 1.00 0.00 C ATOM 769 C GLY A 49 1.216 8.347 -3.272 1.00 0.00 C ATOM 770 O GLY A 49 2.264 8.495 -2.644 1.00 0.00 O ATOM 0 H GLY A 49 -1.093 9.092 -5.030 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.797 10.462 -3.279 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.572 9.466 -2.824 1.00 0.00 H new ATOM 774 N VAL A 50 0.808 7.197 -3.789 1.00 0.00 N ATOM 775 CA VAL A 50 1.601 5.988 -3.645 1.00 0.00 C ATOM 776 C VAL A 50 2.848 6.093 -4.524 1.00 0.00 C ATOM 777 O VAL A 50 3.907 5.578 -4.170 1.00 0.00 O ATOM 778 CB VAL A 50 0.746 4.760 -3.964 1.00 0.00 C ATOM 779 CG1 VAL A 50 1.594 3.487 -3.971 1.00 0.00 C ATOM 780 CG2 VAL A 50 -0.422 4.635 -2.984 1.00 0.00 C ATOM 0 H VAL A 50 -0.062 7.077 -4.308 1.00 0.00 H new ATOM 0 HA VAL A 50 1.939 5.874 -2.615 1.00 0.00 H new ATOM 0 HB VAL A 50 0.332 4.892 -4.964 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.961 2.630 -4.200 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.375 3.574 -4.726 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.051 3.349 -2.991 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.013 3.754 -3.233 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.037 4.538 -1.969 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.049 5.524 -3.050 1.00 0.00 H new ATOM 790 N MET A 51 2.681 6.764 -5.655 1.00 0.00 N ATOM 791 CA MET A 51 3.781 6.943 -6.588 1.00 0.00 C ATOM 792 C MET A 51 4.767 7.994 -6.077 1.00 0.00 C ATOM 793 O MET A 51 5.972 7.750 -6.029 1.00 0.00 O ATOM 794 CB MET A 51 3.230 7.378 -7.947 1.00 0.00 C ATOM 795 CG MET A 51 2.302 6.310 -8.530 1.00 0.00 C ATOM 796 SD MET A 51 2.242 6.456 -10.308 1.00 0.00 S ATOM 797 CE MET A 51 3.985 6.387 -10.684 1.00 0.00 C ATOM 0 H MET A 51 1.801 7.190 -5.946 1.00 0.00 H new ATOM 0 HA MET A 51 4.309 5.994 -6.686 1.00 0.00 H new ATOM 0 HB2 MET A 51 2.687 8.317 -7.840 1.00 0.00 H new ATOM 0 HB3 MET A 51 4.055 7.563 -8.635 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.656 5.318 -8.250 1.00 0.00 H new ATOM 0 HG3 MET A 51 1.301 6.421 -8.114 1.00 0.00 H new ATOM 0 HE1 MET A 51 4.128 5.925 -11.661 1.00 0.00 H new ATOM 0 HE2 MET A 51 4.395 7.397 -10.696 1.00 0.00 H new ATOM 0 HE3 MET A 51 4.498 5.796 -9.925 1.00 0.00 H new ATOM 807 N SER A 52 4.220 9.144 -5.707 1.00 0.00 N ATOM 808 CA SER A 52 5.038 10.233 -5.202 1.00 0.00 C ATOM 809 C SER A 52 5.893 9.746 -4.030 1.00 0.00 C ATOM 810 O SER A 52 6.872 10.391 -3.661 1.00 0.00 O ATOM 811 CB SER A 52 4.170 11.417 -4.770 1.00 0.00 C ATOM 812 OG SER A 52 4.926 12.406 -4.075 1.00 0.00 O ATOM 0 H SER A 52 3.221 9.344 -5.747 1.00 0.00 H new ATOM 0 HA SER A 52 5.693 10.570 -6.005 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.706 11.866 -5.648 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.363 11.061 -4.130 1.00 0.00 H new ATOM 0 HG SER A 52 4.338 13.146 -3.817 1.00 0.00 H new ATOM 818 N LEU A 53 5.491 8.610 -3.478 1.00 0.00 N ATOM 819 CA LEU A 53 6.208 8.029 -2.356 1.00 0.00 C ATOM 820 C LEU A 53 7.488 7.361 -2.865 1.00 0.00 C ATOM 821 O LEU A 53 7.560 6.953 -4.023 1.00 0.00 O ATOM 822 CB LEU A 53 5.296 7.088 -1.566 1.00 0.00 C ATOM 823 CG LEU A 53 4.440 7.741 -0.479 1.00 0.00 C ATOM 824 CD1 LEU A 53 4.968 7.396 0.915 1.00 0.00 C ATOM 825 CD2 LEU A 53 4.337 9.252 -0.696 1.00 0.00 C ATOM 0 H LEU A 53 4.678 8.077 -3.787 1.00 0.00 H new ATOM 0 HA LEU A 53 6.510 8.806 -1.654 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.633 6.582 -2.268 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.914 6.320 -1.101 1.00 0.00 H new ATOM 0 HG LEU A 53 3.430 7.337 -0.550 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.342 7.872 1.669 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.946 6.315 1.055 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.993 7.754 1.015 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.723 9.691 0.090 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.334 9.692 -0.667 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.881 9.450 -1.666 1.00 0.00 H new ATOM 837 N GLY A 54 8.465 7.271 -1.974 1.00 0.00 N ATOM 838 CA GLY A 54 9.737 6.660 -2.318 1.00 0.00 C ATOM 839 C GLY A 54 9.791 5.205 -1.850 1.00 0.00 C ATOM 840 O GLY A 54 10.715 4.812 -1.140 1.00 0.00 O ATOM 0 H GLY A 54 8.401 7.611 -1.015 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.886 6.704 -3.397 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.550 7.223 -1.861 1.00 0.00 H new ATOM 844 N VAL A 55 8.789 4.444 -2.267 1.00 0.00 N ATOM 845 CA VAL A 55 8.711 3.042 -1.898 1.00 0.00 C ATOM 846 C VAL A 55 9.876 2.285 -2.539 1.00 0.00 C ATOM 847 O VAL A 55 9.665 1.367 -3.331 1.00 0.00 O ATOM 848 CB VAL A 55 7.344 2.474 -2.287 1.00 0.00 C ATOM 849 CG1 VAL A 55 7.091 1.133 -1.594 1.00 0.00 C ATOM 850 CG2 VAL A 55 6.227 3.473 -1.974 1.00 0.00 C ATOM 0 H VAL A 55 8.025 4.773 -2.857 1.00 0.00 H new ATOM 0 HA VAL A 55 8.802 2.926 -0.818 1.00 0.00 H new ATOM 0 HB VAL A 55 7.346 2.300 -3.363 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.113 0.751 -1.887 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.862 0.421 -1.887 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.117 1.271 -0.513 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.266 3.045 -2.260 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.224 3.692 -0.906 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.395 4.394 -2.533 1.00 0.00 H new ATOM 860 N GLY A 56 11.081 2.698 -2.173 1.00 0.00 N ATOM 861 CA GLY A 56 12.280 2.069 -2.702 1.00 0.00 C ATOM 862 C GLY A 56 12.499 0.692 -2.074 1.00 0.00 C ATOM 863 O GLY A 56 11.870 0.354 -1.073 1.00 0.00 O ATOM 0 H GLY A 56 11.253 3.460 -1.517 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.196 1.970 -3.784 1.00 0.00 H new ATOM 0 HA3 GLY A 56 13.144 2.704 -2.506 1.00 0.00 H new ATOM 867 N LYS A 57 13.395 -0.067 -2.689 1.00 0.00 N ATOM 868 CA LYS A 57 13.705 -1.401 -2.204 1.00 0.00 C ATOM 869 C LYS A 57 14.344 -1.298 -0.817 1.00 0.00 C ATOM 870 O LYS A 57 14.926 -0.271 -0.472 1.00 0.00 O ATOM 871 CB LYS A 57 14.564 -2.155 -3.222 1.00 0.00 C ATOM 872 CG LYS A 57 14.122 -3.616 -3.335 1.00 0.00 C ATOM 873 CD LYS A 57 14.960 -4.362 -4.376 1.00 0.00 C ATOM 874 CE LYS A 57 15.929 -5.337 -3.703 1.00 0.00 C ATOM 875 NZ LYS A 57 16.421 -4.779 -2.424 1.00 0.00 N ATOM 0 H LYS A 57 13.916 0.217 -3.519 1.00 0.00 H new ATOM 0 HA LYS A 57 12.793 -1.988 -2.094 1.00 0.00 H new ATOM 0 HB2 LYS A 57 14.489 -1.672 -4.196 1.00 0.00 H new ATOM 0 HB3 LYS A 57 15.612 -2.110 -2.924 1.00 0.00 H new ATOM 0 HG2 LYS A 57 14.219 -4.105 -2.366 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.068 -3.661 -3.611 1.00 0.00 H new ATOM 0 HD2 LYS A 57 14.303 -4.906 -5.054 1.00 0.00 H new ATOM 0 HD3 LYS A 57 15.519 -3.646 -4.979 1.00 0.00 H new ATOM 0 HE2 LYS A 57 15.430 -6.289 -3.523 1.00 0.00 H new ATOM 0 HE3 LYS A 57 16.770 -5.539 -4.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 17.335 -5.213 -2.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 16.540 -3.750 -2.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 15.734 -4.982 -1.670 1.00 0.00 H new ATOM 889 N ASP A 58 14.214 -2.377 -0.059 1.00 0.00 N ATOM 890 CA ASP A 58 14.770 -2.421 1.282 1.00 0.00 C ATOM 891 C ASP A 58 14.045 -1.403 2.164 1.00 0.00 C ATOM 892 O ASP A 58 14.408 -1.212 3.324 1.00 0.00 O ATOM 893 CB ASP A 58 16.257 -2.064 1.273 1.00 0.00 C ATOM 894 CG ASP A 58 16.827 -1.631 2.625 1.00 0.00 C ATOM 895 OD1 ASP A 58 17.281 -0.489 2.792 1.00 0.00 O ATOM 896 OD2 ASP A 58 16.793 -2.535 3.546 1.00 0.00 O ATOM 0 H ASP A 58 13.731 -3.228 -0.349 1.00 0.00 H new ATOM 0 HA ASP A 58 14.644 -3.433 1.666 1.00 0.00 H new ATOM 0 HB2 ASP A 58 16.820 -2.927 0.918 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.418 -1.261 0.554 1.00 0.00 H new ATOM 902 N ALA A 59 13.034 -0.777 1.582 1.00 0.00 N ATOM 903 CA ALA A 59 12.254 0.217 2.300 1.00 0.00 C ATOM 904 C ALA A 59 11.018 -0.450 2.906 1.00 0.00 C ATOM 905 O ALA A 59 10.368 -1.267 2.256 1.00 0.00 O ATOM 906 CB ALA A 59 11.893 1.364 1.355 1.00 0.00 C ATOM 0 H ALA A 59 12.736 -0.939 0.620 1.00 0.00 H new ATOM 0 HA ALA A 59 12.835 0.641 3.119 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.308 2.109 1.894 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.806 1.824 0.976 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.308 0.977 0.521 1.00 0.00 H new ATOM 912 N GLU A 60 10.732 -0.079 4.145 1.00 0.00 N ATOM 913 CA GLU A 60 9.587 -0.632 4.847 1.00 0.00 C ATOM 914 C GLU A 60 8.387 0.311 4.732 1.00 0.00 C ATOM 915 O GLU A 60 8.458 1.464 5.155 1.00 0.00 O ATOM 916 CB GLU A 60 9.924 -0.914 6.312 1.00 0.00 C ATOM 917 CG GLU A 60 10.948 -2.045 6.431 1.00 0.00 C ATOM 918 CD GLU A 60 11.274 -2.337 7.898 1.00 0.00 C ATOM 919 OE1 GLU A 60 11.958 -1.535 8.552 1.00 0.00 O ATOM 920 OE2 GLU A 60 10.788 -3.440 8.355 1.00 0.00 O ATOM 0 H GLU A 60 11.274 0.599 4.681 1.00 0.00 H new ATOM 0 HA GLU A 60 9.325 -1.581 4.380 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.318 -0.011 6.779 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.016 -1.182 6.853 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.558 -2.945 5.955 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.860 -1.773 5.899 1.00 0.00 H new ATOM 928 N ILE A 61 7.314 -0.213 4.158 1.00 0.00 N ATOM 929 CA ILE A 61 6.102 0.569 3.982 1.00 0.00 C ATOM 930 C ILE A 61 5.014 0.029 4.912 1.00 0.00 C ATOM 931 O ILE A 61 5.216 -0.974 5.594 1.00 0.00 O ATOM 932 CB ILE A 61 5.693 0.598 2.507 1.00 0.00 C ATOM 933 CG1 ILE A 61 5.750 -0.803 1.896 1.00 0.00 C ATOM 934 CG2 ILE A 61 6.540 1.601 1.723 1.00 0.00 C ATOM 935 CD1 ILE A 61 4.653 -0.988 0.845 1.00 0.00 C ATOM 0 H ILE A 61 7.259 -1.170 3.809 1.00 0.00 H new ATOM 0 HA ILE A 61 6.274 1.608 4.261 1.00 0.00 H new ATOM 0 HB ILE A 61 4.658 0.934 2.445 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.727 -0.965 1.440 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.637 -1.551 2.681 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.229 1.602 0.678 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.405 2.598 2.143 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.591 1.319 1.788 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.716 -1.992 0.426 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.677 -0.849 1.310 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.784 -0.254 0.049 1.00 0.00 H new ATOM 947 N THR A 62 3.883 0.720 4.910 1.00 0.00 N ATOM 948 CA THR A 62 2.763 0.323 5.745 1.00 0.00 C ATOM 949 C THR A 62 1.443 0.773 5.116 1.00 0.00 C ATOM 950 O THR A 62 1.422 1.688 4.294 1.00 0.00 O ATOM 951 CB THR A 62 2.992 0.892 7.146 1.00 0.00 C ATOM 952 OG1 THR A 62 4.157 0.214 7.609 1.00 0.00 O ATOM 953 CG2 THR A 62 1.901 0.475 8.134 1.00 0.00 C ATOM 0 H THR A 62 3.719 1.552 4.343 1.00 0.00 H new ATOM 0 HA THR A 62 2.696 -0.762 5.826 1.00 0.00 H new ATOM 0 HB THR A 62 3.036 1.980 7.093 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.401 -0.490 6.972 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.112 0.906 9.113 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.934 0.833 7.781 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.878 -0.612 8.213 1.00 0.00 H new ATOM 961 N ILE A 63 0.372 0.108 5.525 1.00 0.00 N ATOM 962 CA ILE A 63 -0.949 0.429 5.011 1.00 0.00 C ATOM 963 C ILE A 63 -1.971 0.322 6.144 1.00 0.00 C ATOM 964 O ILE A 63 -1.960 -0.643 6.907 1.00 0.00 O ATOM 965 CB ILE A 63 -1.279 -0.446 3.800 1.00 0.00 C ATOM 966 CG1 ILE A 63 -1.523 -1.897 4.223 1.00 0.00 C ATOM 967 CG2 ILE A 63 -0.190 -0.337 2.731 1.00 0.00 C ATOM 968 CD1 ILE A 63 -2.926 -2.357 3.819 1.00 0.00 C ATOM 0 H ILE A 63 0.392 -0.651 6.206 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.979 1.457 4.650 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.204 -0.079 3.356 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.777 -2.544 3.762 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.402 -1.990 5.302 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.450 -0.969 1.881 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.106 0.698 2.401 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.763 -0.663 3.148 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.074 -3.391 4.131 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.670 -1.723 4.301 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.035 -2.285 2.737 1.00 0.00 H new ATOM 980 N TYR A 64 -2.832 1.327 6.218 1.00 0.00 N ATOM 981 CA TYR A 64 -3.859 1.358 7.246 1.00 0.00 C ATOM 982 C TYR A 64 -5.234 1.035 6.656 1.00 0.00 C ATOM 983 O TYR A 64 -5.431 1.126 5.445 1.00 0.00 O ATOM 984 CB TYR A 64 -3.873 2.789 7.785 1.00 0.00 C ATOM 985 CG TYR A 64 -2.621 3.167 8.581 1.00 0.00 C ATOM 986 CD1 TYR A 64 -1.388 3.181 7.961 1.00 0.00 C ATOM 987 CD2 TYR A 64 -2.726 3.491 9.918 1.00 0.00 C ATOM 988 CE1 TYR A 64 -0.211 3.535 8.710 1.00 0.00 C ATOM 989 CE2 TYR A 64 -1.549 3.845 10.667 1.00 0.00 C ATOM 990 CZ TYR A 64 -0.349 3.850 10.026 1.00 0.00 C ATOM 991 OH TYR A 64 0.764 4.185 10.734 1.00 0.00 O ATOM 0 H TYR A 64 -2.839 2.125 5.583 1.00 0.00 H new ATOM 0 HA TYR A 64 -3.649 0.621 8.021 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -3.982 3.480 6.949 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -4.748 2.918 8.421 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -1.306 2.927 6.915 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -3.691 3.479 10.402 1.00 0.00 H new ATOM 0 HE1 TYR A 64 0.760 3.550 8.238 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -1.617 4.101 11.714 1.00 0.00 H new ATOM 0 HH TYR A 64 1.279 4.854 10.236 1.00 0.00 H new ATOM 1001 N ALA A 65 -6.149 0.664 7.540 1.00 0.00 N ATOM 1002 CA ALA A 65 -7.499 0.327 7.122 1.00 0.00 C ATOM 1003 C ALA A 65 -8.460 0.547 8.292 1.00 0.00 C ATOM 1004 O ALA A 65 -8.284 -0.034 9.362 1.00 0.00 O ATOM 1005 CB ALA A 65 -7.530 -1.112 6.605 1.00 0.00 C ATOM 0 H ALA A 65 -5.982 0.589 8.543 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.820 0.973 6.305 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.543 -1.364 6.292 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.853 -1.208 5.756 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.216 -1.790 7.398 1.00 0.00 H new ATOM 1011 N ASP A 66 -9.455 1.387 8.049 1.00 0.00 N ATOM 1012 CA ASP A 66 -10.444 1.691 9.070 1.00 0.00 C ATOM 1013 C ASP A 66 -11.845 1.594 8.461 1.00 0.00 C ATOM 1014 O ASP A 66 -12.309 2.530 7.811 1.00 0.00 O ATOM 1015 CB ASP A 66 -10.261 3.110 9.609 1.00 0.00 C ATOM 1016 CG ASP A 66 -10.822 3.346 11.013 1.00 0.00 C ATOM 1017 OD1 ASP A 66 -11.210 2.399 11.713 1.00 0.00 O ATOM 1018 OD2 ASP A 66 -10.852 4.580 11.388 1.00 0.00 O ATOM 0 H ASP A 66 -9.598 1.867 7.160 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.319 0.977 9.884 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.197 3.346 9.615 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.738 3.808 8.921 1.00 0.00 H new ATOM 1024 N GLY A 67 -12.478 0.453 8.694 1.00 0.00 N ATOM 1025 CA GLY A 67 -13.817 0.222 8.176 1.00 0.00 C ATOM 1026 C GLY A 67 -14.349 -1.141 8.623 1.00 0.00 C ATOM 1027 O GLY A 67 -13.968 -1.644 9.679 1.00 0.00 O ATOM 0 H GLY A 67 -12.089 -0.320 9.234 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.486 1.009 8.523 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.803 0.272 7.087 1.00 0.00 H new ATOM 1031 N SER A 68 -15.223 -1.698 7.798 1.00 0.00 N ATOM 1032 CA SER A 68 -15.811 -2.993 8.095 1.00 0.00 C ATOM 1033 C SER A 68 -14.999 -4.104 7.427 1.00 0.00 C ATOM 1034 O SER A 68 -15.058 -5.259 7.845 1.00 0.00 O ATOM 1035 CB SER A 68 -17.270 -3.054 7.637 1.00 0.00 C ATOM 1036 OG SER A 68 -17.810 -4.368 7.745 1.00 0.00 O ATOM 0 H SER A 68 -15.538 -1.276 6.924 1.00 0.00 H new ATOM 0 HA SER A 68 -15.791 -3.137 9.175 1.00 0.00 H new ATOM 0 HB2 SER A 68 -17.867 -2.367 8.236 1.00 0.00 H new ATOM 0 HB3 SER A 68 -17.339 -2.718 6.603 1.00 0.00 H new ATOM 0 HG SER A 68 -18.743 -4.364 7.445 1.00 0.00 H new ATOM 1042 N ASP A 69 -14.258 -3.714 6.400 1.00 0.00 N ATOM 1043 CA ASP A 69 -13.434 -4.662 5.669 1.00 0.00 C ATOM 1044 C ASP A 69 -11.958 -4.333 5.901 1.00 0.00 C ATOM 1045 O ASP A 69 -11.077 -4.999 5.357 1.00 0.00 O ATOM 1046 CB ASP A 69 -13.706 -4.585 4.166 1.00 0.00 C ATOM 1047 CG ASP A 69 -14.708 -3.509 3.745 1.00 0.00 C ATOM 1048 OD1 ASP A 69 -14.626 -2.352 4.184 1.00 0.00 O ATOM 1049 OD2 ASP A 69 -15.617 -3.904 2.919 1.00 0.00 O ATOM 0 H ASP A 69 -14.211 -2.755 6.057 1.00 0.00 H new ATOM 0 HA ASP A 69 -13.674 -5.663 6.027 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -12.763 -4.404 3.650 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.073 -5.554 3.828 1.00 0.00 H new ATOM 1055 N GLU A 70 -11.733 -3.307 6.708 1.00 0.00 N ATOM 1056 CA GLU A 70 -10.379 -2.882 7.018 1.00 0.00 C ATOM 1057 C GLU A 70 -9.429 -4.082 7.009 1.00 0.00 C ATOM 1058 O GLU A 70 -8.555 -4.180 6.150 1.00 0.00 O ATOM 1059 CB GLU A 70 -10.327 -2.153 8.362 1.00 0.00 C ATOM 1060 CG GLU A 70 -11.224 -2.840 9.393 1.00 0.00 C ATOM 1061 CD GLU A 70 -10.401 -3.376 10.566 1.00 0.00 C ATOM 1062 OE1 GLU A 70 -9.870 -4.495 10.491 1.00 0.00 O ATOM 1063 OE2 GLU A 70 -10.320 -2.586 11.583 1.00 0.00 O ATOM 0 H GLU A 70 -12.466 -2.757 7.157 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.055 -2.181 6.248 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.300 -2.128 8.727 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.644 -1.118 8.231 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -11.969 -2.134 9.760 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -11.766 -3.659 8.920 1.00 0.00 H new ATOM 1071 N SER A 71 -9.635 -4.966 7.974 1.00 0.00 N ATOM 1072 CA SER A 71 -8.809 -6.156 8.088 1.00 0.00 C ATOM 1073 C SER A 71 -8.811 -6.923 6.764 1.00 0.00 C ATOM 1074 O SER A 71 -7.763 -7.363 6.296 1.00 0.00 O ATOM 1075 CB SER A 71 -9.295 -7.057 9.225 1.00 0.00 C ATOM 1076 OG SER A 71 -8.402 -7.042 10.336 1.00 0.00 O ATOM 0 H SER A 71 -10.362 -4.882 8.684 1.00 0.00 H new ATOM 0 HA SER A 71 -7.790 -5.845 8.318 1.00 0.00 H new ATOM 0 HB2 SER A 71 -10.283 -6.731 9.549 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.401 -8.078 8.859 1.00 0.00 H new ATOM 0 HG SER A 71 -8.527 -6.214 10.845 1.00 0.00 H new ATOM 1082 N ASP A 72 -10.002 -7.059 6.199 1.00 0.00 N ATOM 1083 CA ASP A 72 -10.155 -7.765 4.938 1.00 0.00 C ATOM 1084 C ASP A 72 -9.346 -7.048 3.856 1.00 0.00 C ATOM 1085 O ASP A 72 -8.779 -7.689 2.972 1.00 0.00 O ATOM 1086 CB ASP A 72 -11.619 -7.791 4.496 1.00 0.00 C ATOM 1087 CG ASP A 72 -12.108 -9.137 3.956 1.00 0.00 C ATOM 1088 OD1 ASP A 72 -12.394 -9.280 2.758 1.00 0.00 O ATOM 1089 OD2 ASP A 72 -12.192 -10.078 4.835 1.00 0.00 O ATOM 0 H ASP A 72 -10.869 -6.693 6.591 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.803 -8.787 5.078 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -12.244 -7.508 5.343 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.764 -7.033 3.726 1.00 0.00 H new ATOM 1095 N ALA A 73 -9.319 -5.728 3.959 1.00 0.00 N ATOM 1096 CA ALA A 73 -8.589 -4.916 2.999 1.00 0.00 C ATOM 1097 C ALA A 73 -7.087 -5.124 3.201 1.00 0.00 C ATOM 1098 O ALA A 73 -6.320 -5.107 2.240 1.00 0.00 O ATOM 1099 CB ALA A 73 -9.000 -3.452 3.153 1.00 0.00 C ATOM 0 H ALA A 73 -9.791 -5.199 4.693 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.830 -5.217 1.979 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.453 -2.843 2.433 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.070 -3.354 2.972 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.770 -3.114 4.163 1.00 0.00 H new ATOM 1105 N ILE A 74 -6.711 -5.317 4.458 1.00 0.00 N ATOM 1106 CA ILE A 74 -5.315 -5.528 4.797 1.00 0.00 C ATOM 1107 C ILE A 74 -4.887 -6.922 4.335 1.00 0.00 C ATOM 1108 O ILE A 74 -3.736 -7.127 3.949 1.00 0.00 O ATOM 1109 CB ILE A 74 -5.082 -5.276 6.288 1.00 0.00 C ATOM 1110 CG1 ILE A 74 -4.101 -4.121 6.503 1.00 0.00 C ATOM 1111 CG2 ILE A 74 -4.626 -6.554 6.995 1.00 0.00 C ATOM 1112 CD1 ILE A 74 -4.660 -3.105 7.499 1.00 0.00 C ATOM 0 H ILE A 74 -7.350 -5.331 5.253 1.00 0.00 H new ATOM 0 HA ILE A 74 -4.683 -4.811 4.273 1.00 0.00 H new ATOM 0 HB ILE A 74 -6.030 -4.980 6.736 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.151 -4.510 6.869 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.899 -3.629 5.552 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.467 -6.347 8.053 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.391 -7.323 6.886 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.694 -6.903 6.550 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -3.943 -2.295 7.633 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.598 -2.700 7.118 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.838 -3.594 8.457 1.00 0.00 H new ATOM 1124 N GLN A 75 -5.836 -7.845 4.388 1.00 0.00 N ATOM 1125 CA GLN A 75 -5.571 -9.215 3.979 1.00 0.00 C ATOM 1126 C GLN A 75 -5.358 -9.285 2.465 1.00 0.00 C ATOM 1127 O GLN A 75 -4.608 -10.129 1.979 1.00 0.00 O ATOM 1128 CB GLN A 75 -6.703 -10.145 4.417 1.00 0.00 C ATOM 1129 CG GLN A 75 -6.642 -10.412 5.923 1.00 0.00 C ATOM 1130 CD GLN A 75 -5.250 -10.892 6.340 1.00 0.00 C ATOM 1131 OE1 GLN A 75 -4.947 -12.073 6.339 1.00 0.00 O ATOM 1132 NE2 GLN A 75 -4.423 -9.911 6.692 1.00 0.00 N ATOM 0 H GLN A 75 -6.789 -7.672 4.708 1.00 0.00 H new ATOM 0 HA GLN A 75 -4.658 -9.551 4.470 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -7.664 -9.699 4.162 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -6.635 -11.088 3.874 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -6.895 -9.502 6.468 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -7.385 -11.162 6.193 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -4.742 -8.942 6.670 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -3.470 -10.128 6.984 1.00 0.00 H new ATOM 1141 N ALA A 76 -6.032 -8.387 1.762 1.00 0.00 N ATOM 1142 CA ALA A 76 -5.927 -8.336 0.314 1.00 0.00 C ATOM 1143 C ALA A 76 -4.623 -7.636 -0.074 1.00 0.00 C ATOM 1144 O ALA A 76 -3.934 -8.067 -0.997 1.00 0.00 O ATOM 1145 CB ALA A 76 -7.159 -7.637 -0.263 1.00 0.00 C ATOM 0 H ALA A 76 -6.654 -7.688 2.169 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.898 -9.342 -0.105 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.080 -7.599 -1.349 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.056 -8.190 0.017 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.221 -6.623 0.132 1.00 0.00 H new ATOM 1151 N ILE A 77 -4.324 -6.569 0.651 1.00 0.00 N ATOM 1152 CA ILE A 77 -3.115 -5.804 0.394 1.00 0.00 C ATOM 1153 C ILE A 77 -1.907 -6.743 0.425 1.00 0.00 C ATOM 1154 O ILE A 77 -1.309 -7.024 -0.612 1.00 0.00 O ATOM 1155 CB ILE A 77 -3.006 -4.631 1.369 1.00 0.00 C ATOM 1156 CG1 ILE A 77 -3.600 -3.357 0.765 1.00 0.00 C ATOM 1157 CG2 ILE A 77 -1.559 -4.427 1.823 1.00 0.00 C ATOM 1158 CD1 ILE A 77 -4.949 -3.023 1.406 1.00 0.00 C ATOM 0 H ILE A 77 -4.898 -6.215 1.417 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.149 -5.360 -0.601 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.592 -4.871 2.256 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.909 -2.526 0.909 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.726 -3.485 -0.310 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.510 -3.587 2.516 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.203 -5.329 2.321 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.931 -4.220 0.956 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.349 -2.113 0.959 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.645 -3.846 1.239 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.815 -2.872 2.477 1.00 0.00 H new ATOM 1170 N SER A 78 -1.585 -7.202 1.624 1.00 0.00 N ATOM 1171 CA SER A 78 -0.460 -8.104 1.804 1.00 0.00 C ATOM 1172 C SER A 78 -0.430 -9.135 0.673 1.00 0.00 C ATOM 1173 O SER A 78 0.641 -9.566 0.250 1.00 0.00 O ATOM 1174 CB SER A 78 -0.527 -8.806 3.161 1.00 0.00 C ATOM 1175 OG SER A 78 0.664 -8.616 3.920 1.00 0.00 O ATOM 0 H SER A 78 -2.084 -6.966 2.482 1.00 0.00 H new ATOM 0 HA SER A 78 0.457 -7.516 1.776 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.380 -8.426 3.724 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.694 -9.872 3.010 1.00 0.00 H new ATOM 0 HG SER A 78 0.540 -7.869 4.542 1.00 0.00 H new ATOM 1181 N ASP A 79 -1.620 -9.500 0.217 1.00 0.00 N ATOM 1182 CA ASP A 79 -1.744 -10.472 -0.855 1.00 0.00 C ATOM 1183 C ASP A 79 -1.262 -9.844 -2.165 1.00 0.00 C ATOM 1184 O ASP A 79 -0.482 -10.450 -2.899 1.00 0.00 O ATOM 1185 CB ASP A 79 -3.200 -10.902 -1.044 1.00 0.00 C ATOM 1186 CG ASP A 79 -3.395 -12.189 -1.848 1.00 0.00 C ATOM 1187 OD1 ASP A 79 -2.627 -13.153 -1.707 1.00 0.00 O ATOM 1188 OD2 ASP A 79 -4.399 -12.179 -2.658 1.00 0.00 O ATOM 0 H ASP A 79 -2.506 -9.140 0.571 1.00 0.00 H new ATOM 0 HA ASP A 79 -1.143 -11.342 -0.592 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.655 -11.032 -0.062 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.740 -10.096 -1.541 1.00 0.00 H new ATOM 1194 N VAL A 80 -1.749 -8.639 -2.420 1.00 0.00 N ATOM 1195 CA VAL A 80 -1.379 -7.922 -3.629 1.00 0.00 C ATOM 1196 C VAL A 80 0.118 -7.610 -3.592 1.00 0.00 C ATOM 1197 O VAL A 80 0.798 -7.691 -4.615 1.00 0.00 O ATOM 1198 CB VAL A 80 -2.247 -6.671 -3.782 1.00 0.00 C ATOM 1199 CG1 VAL A 80 -1.818 -5.854 -5.001 1.00 0.00 C ATOM 1200 CG2 VAL A 80 -3.729 -7.039 -3.861 1.00 0.00 C ATOM 0 H VAL A 80 -2.397 -8.140 -1.810 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.562 -8.537 -4.510 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.103 -6.052 -2.897 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.450 -4.970 -5.088 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.779 -5.547 -4.886 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.919 -6.462 -5.900 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.324 -6.132 -3.969 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.897 -7.688 -4.720 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.024 -7.559 -2.950 1.00 0.00 H new ATOM 1210 N LEU A 81 0.590 -7.259 -2.405 1.00 0.00 N ATOM 1211 CA LEU A 81 1.994 -6.935 -2.222 1.00 0.00 C ATOM 1212 C LEU A 81 2.841 -8.175 -2.514 1.00 0.00 C ATOM 1213 O LEU A 81 3.792 -8.113 -3.292 1.00 0.00 O ATOM 1214 CB LEU A 81 2.230 -6.341 -0.832 1.00 0.00 C ATOM 1215 CG LEU A 81 1.630 -4.956 -0.584 1.00 0.00 C ATOM 1216 CD1 LEU A 81 1.471 -4.690 0.915 1.00 0.00 C ATOM 1217 CD2 LEU A 81 2.453 -3.869 -1.275 1.00 0.00 C ATOM 0 H LEU A 81 0.024 -7.192 -1.559 1.00 0.00 H new ATOM 0 HA LEU A 81 2.303 -6.164 -2.928 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.824 -7.029 -0.091 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.305 -6.286 -0.660 1.00 0.00 H new ATOM 0 HG LEU A 81 0.633 -4.931 -1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.043 -3.699 1.065 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.811 -5.441 1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.446 -4.741 1.399 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.004 -2.895 -1.082 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.472 -3.882 -0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.471 -4.054 -2.349 1.00 0.00 H new ATOM 1229 N SER A 82 2.467 -9.272 -1.873 1.00 0.00 N ATOM 1230 CA SER A 82 3.181 -10.525 -2.053 1.00 0.00 C ATOM 1231 C SER A 82 2.848 -11.124 -3.422 1.00 0.00 C ATOM 1232 O SER A 82 3.670 -11.822 -4.014 1.00 0.00 O ATOM 1233 CB SER A 82 2.839 -11.519 -0.942 1.00 0.00 C ATOM 1234 OG SER A 82 3.696 -11.372 0.187 1.00 0.00 O ATOM 0 H SER A 82 1.678 -9.320 -1.228 1.00 0.00 H new ATOM 0 HA SER A 82 4.250 -10.320 -2.003 1.00 0.00 H new ATOM 0 HB2 SER A 82 1.804 -11.375 -0.633 1.00 0.00 H new ATOM 0 HB3 SER A 82 2.918 -12.535 -1.328 1.00 0.00 H new ATOM 0 HG SER A 82 3.445 -12.023 0.875 1.00 0.00 H new ATOM 1240 N LYS A 83 1.642 -10.829 -3.884 1.00 0.00 N ATOM 1241 CA LYS A 83 1.191 -11.330 -5.171 1.00 0.00 C ATOM 1242 C LYS A 83 2.171 -10.885 -6.258 1.00 0.00 C ATOM 1243 O LYS A 83 2.493 -11.655 -7.162 1.00 0.00 O ATOM 1244 CB LYS A 83 -0.255 -10.906 -5.435 1.00 0.00 C ATOM 1245 CG LYS A 83 -1.240 -11.897 -4.813 1.00 0.00 C ATOM 1246 CD LYS A 83 -2.139 -12.521 -5.882 1.00 0.00 C ATOM 1247 CE LYS A 83 -3.216 -13.403 -5.247 1.00 0.00 C ATOM 1248 NZ LYS A 83 -3.863 -14.249 -6.274 1.00 0.00 N ATOM 0 H LYS A 83 0.963 -10.249 -3.390 1.00 0.00 H new ATOM 0 HA LYS A 83 1.184 -12.420 -5.174 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -0.427 -9.911 -5.024 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -0.428 -10.841 -6.509 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.692 -12.681 -4.291 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -1.853 -11.388 -4.069 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.609 -11.734 -6.471 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.535 -13.115 -6.568 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -2.771 -14.032 -4.476 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.964 -12.779 -4.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.591 -14.842 -5.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.304 -13.643 -6.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -3.149 -14.858 -6.723 1.00 0.00 H new ATOM 1262 N GLU A 84 2.617 -9.643 -6.136 1.00 0.00 N ATOM 1263 CA GLU A 84 3.554 -9.087 -7.098 1.00 0.00 C ATOM 1264 C GLU A 84 4.988 -9.463 -6.720 1.00 0.00 C ATOM 1265 O GLU A 84 5.780 -9.846 -7.580 1.00 0.00 O ATOM 1266 CB GLU A 84 3.395 -7.568 -7.202 1.00 0.00 C ATOM 1267 CG GLU A 84 1.929 -7.159 -7.041 1.00 0.00 C ATOM 1268 CD GLU A 84 1.465 -6.305 -8.224 1.00 0.00 C ATOM 1269 OE1 GLU A 84 2.118 -6.300 -9.278 1.00 0.00 O ATOM 1270 OE2 GLU A 84 0.385 -5.631 -8.019 1.00 0.00 O ATOM 0 H GLU A 84 2.347 -9.006 -5.386 1.00 0.00 H new ATOM 0 HA GLU A 84 3.334 -9.511 -8.078 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.998 -7.082 -6.435 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.768 -7.225 -8.167 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.305 -8.050 -6.964 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.803 -6.601 -6.113 1.00 0.00 H new ATOM 1278 N GLY A 85 5.279 -9.341 -5.434 1.00 0.00 N ATOM 1279 CA GLY A 85 6.603 -9.663 -4.932 1.00 0.00 C ATOM 1280 C GLY A 85 7.395 -8.392 -4.616 1.00 0.00 C ATOM 1281 O GLY A 85 8.625 -8.397 -4.649 1.00 0.00 O ATOM 0 H GLY A 85 4.620 -9.023 -4.724 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.516 -10.274 -4.034 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.141 -10.257 -5.671 1.00 0.00 H new ATOM 1285 N LEU A 86 6.656 -7.333 -4.318 1.00 0.00 N ATOM 1286 CA LEU A 86 7.274 -6.058 -3.997 1.00 0.00 C ATOM 1287 C LEU A 86 7.769 -6.086 -2.549 1.00 0.00 C ATOM 1288 O LEU A 86 8.613 -5.278 -2.163 1.00 0.00 O ATOM 1289 CB LEU A 86 6.311 -4.906 -4.295 1.00 0.00 C ATOM 1290 CG LEU A 86 5.756 -4.848 -5.719 1.00 0.00 C ATOM 1291 CD1 LEU A 86 4.292 -4.402 -5.719 1.00 0.00 C ATOM 1292 CD2 LEU A 86 6.625 -3.961 -6.611 1.00 0.00 C ATOM 0 H LEU A 86 5.636 -7.332 -4.292 1.00 0.00 H new ATOM 0 HA LEU A 86 8.145 -5.887 -4.629 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.472 -4.971 -3.602 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.824 -3.967 -4.088 1.00 0.00 H new ATOM 0 HG LEU A 86 5.787 -5.854 -6.138 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.922 -4.369 -6.744 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.697 -5.108 -5.140 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.214 -3.411 -5.273 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.208 -3.937 -7.618 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.650 -2.950 -6.205 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.638 -4.363 -6.647 1.00 0.00 H new ATOM 1304 N THR A 87 7.224 -7.024 -1.789 1.00 0.00 N ATOM 1305 CA THR A 87 7.600 -7.167 -0.393 1.00 0.00 C ATOM 1306 C THR A 87 7.982 -8.618 -0.089 1.00 0.00 C ATOM 1307 O THR A 87 7.835 -9.493 -0.942 1.00 0.00 O ATOM 1308 CB THR A 87 6.442 -6.652 0.464 1.00 0.00 C ATOM 1309 OG1 THR A 87 5.453 -7.673 0.363 1.00 0.00 O ATOM 1310 CG2 THR A 87 5.769 -5.419 -0.142 1.00 0.00 C ATOM 0 H THR A 87 6.525 -7.692 -2.113 1.00 0.00 H new ATOM 0 HA THR A 87 8.485 -6.575 -0.160 1.00 0.00 H new ATOM 0 HB THR A 87 6.808 -6.412 1.462 1.00 0.00 H new ATOM 0 HG1 THR A 87 4.667 -7.421 0.891 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.954 -5.094 0.505 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.499 -4.616 -0.237 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.373 -5.668 -1.127 1.00 0.00 H new ATOM 1318 N LYS A 88 8.464 -8.827 1.126 1.00 0.00 N ATOM 1319 CA LYS A 88 8.867 -10.156 1.553 1.00 0.00 C ATOM 1320 C LYS A 88 7.642 -11.073 1.578 1.00 0.00 C ATOM 1321 O LYS A 88 7.252 -11.565 2.636 1.00 0.00 O ATOM 1322 CB LYS A 88 9.611 -10.089 2.887 1.00 0.00 C ATOM 1323 CG LYS A 88 10.992 -9.450 2.713 1.00 0.00 C ATOM 1324 CD LYS A 88 11.895 -10.327 1.842 1.00 0.00 C ATOM 1325 CE LYS A 88 13.370 -10.086 2.167 1.00 0.00 C ATOM 1326 NZ LYS A 88 14.160 -11.317 1.938 1.00 0.00 N ATOM 0 H LYS A 88 8.585 -8.098 1.829 1.00 0.00 H new ATOM 0 HA LYS A 88 9.573 -10.585 0.842 1.00 0.00 H new ATOM 0 HB2 LYS A 88 9.027 -9.512 3.605 1.00 0.00 H new ATOM 0 HB3 LYS A 88 9.720 -11.093 3.298 1.00 0.00 H new ATOM 0 HG2 LYS A 88 10.886 -8.465 2.258 1.00 0.00 H new ATOM 0 HG3 LYS A 88 11.454 -9.302 3.689 1.00 0.00 H new ATOM 0 HD2 LYS A 88 11.651 -11.377 2.001 1.00 0.00 H new ATOM 0 HD3 LYS A 88 11.711 -10.112 0.789 1.00 0.00 H new ATOM 0 HE2 LYS A 88 13.758 -9.278 1.547 1.00 0.00 H new ATOM 0 HE3 LYS A 88 13.473 -9.769 3.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 15.159 -11.135 2.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 13.800 -12.079 2.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 14.077 -11.603 0.942 1.00 0.00 H new