USER MOD reduce.3.24.130724 H: found=0, std=0, add=1111, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1106 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 12 GLN : amide:sc= -0.248 X(o=-0.27,f=-0.01) USER MOD Set 1.2: A 35 ASN : amide:sc= -0.0249 X(o=-0.27,f=-0.01) USER MOD Set 2.1: A 16 THR OG1 : rot -80:sc= 0.0936 USER MOD Set 2.2: A 31 HIS : no HD1:sc= 0.0542 K(o=0.17,f=-0.68) USER MOD Set 2.3: A 128 THR OG1 : rot 180:sc= 0.0207 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0415 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 170:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -3.88! C(o=-3.9!,f=-6.1!) USER MOD Single : A 19 HIS : no HD1:sc= 0.157 K(o=0.16,f=-4!) USER MOD Single : A 20 SER OG : rot -151:sc= 0.107 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -1.31 X(o=-1.3,f=-0.87) USER MOD Single : A 24 ASN : amide:sc= -1.31 X(o=-1.3,f=-1.6) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 CYS SG : rot -150:sc= -3.87! USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -0.0554 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.128 USER MOD Single : A 50 MET CE :methyl -126:sc= 0 (180deg=-0.825) USER MOD Single : A 51 TYR OH : rot 180:sc= 0.522 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 140:sc= 2.48 USER MOD Single : A 65 HIS : no HD1:sc= -1.1 X(o=-1.1,f=-1.3) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0.197 K(o=0.2,f=-2.2!) USER MOD Single : A 77 GLN : amide:sc= -0.761 K(o=-0.76,f=-1.8!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 48:sc= 0.722 USER MOD Single : A 84 SER OG : rot 180:sc= 0.00076 USER MOD Single : A 89 GLN : amide:sc= -4.84! C(o=-4.8!,f=-6.3!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.049) USER MOD Single : A 99 ASN : amide:sc= -1.56 X(o=-1.6,f=-1.3) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 GLN : amide:sc= -1.68 X(o=-1.7,f=-1.7) USER MOD Single : A 131 TYR OH : rot 150:sc= 0.485 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 141 SER OG : rot 43:sc= 0.881 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.012 -1.614 -7.250 1.00 0.00 N ATOM 2 CA GLY A 1 22.724 -1.418 -7.890 1.00 0.00 C ATOM 3 C GLY A 1 22.451 0.039 -8.207 1.00 0.00 C ATOM 4 O GLY A 1 23.043 0.603 -9.128 1.00 0.00 O ATOM 0 H1 GLY A 1 24.152 -2.626 -7.054 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.768 -1.276 -7.880 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.041 -1.081 -6.357 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.687 -2.000 -8.811 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.937 -1.799 -7.240 1.00 0.00 H new ATOM 8 N SER A 2 21.550 0.650 -7.445 1.00 0.00 N ATOM 9 CA SER A 2 21.195 2.049 -7.653 1.00 0.00 C ATOM 10 C SER A 2 21.058 2.779 -6.320 1.00 0.00 C ATOM 11 O SER A 2 20.636 2.197 -5.321 1.00 0.00 O ATOM 12 CB SER A 2 19.889 2.154 -8.442 1.00 0.00 C ATOM 13 OG SER A 2 20.127 2.071 -9.836 1.00 0.00 O ATOM 0 H SER A 2 21.052 0.198 -6.678 1.00 0.00 H new ATOM 0 HA SER A 2 21.995 2.520 -8.224 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.212 1.356 -8.138 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.395 3.098 -8.210 1.00 0.00 H new ATOM 0 HG SER A 2 19.276 2.139 -10.318 1.00 0.00 H new ATOM 19 N SER A 3 21.418 4.059 -6.313 1.00 0.00 N ATOM 20 CA SER A 3 21.339 4.869 -5.103 1.00 0.00 C ATOM 21 C SER A 3 19.938 5.445 -4.926 1.00 0.00 C ATOM 22 O SER A 3 19.385 5.434 -3.827 1.00 0.00 O ATOM 23 CB SER A 3 22.366 6.001 -5.155 1.00 0.00 C ATOM 24 OG SER A 3 22.082 6.900 -6.213 1.00 0.00 O ATOM 0 H SER A 3 21.767 4.557 -7.132 1.00 0.00 H new ATOM 0 HA SER A 3 21.559 4.227 -4.250 1.00 0.00 H new ATOM 0 HB2 SER A 3 22.367 6.539 -4.207 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.365 5.584 -5.286 1.00 0.00 H new ATOM 0 HG SER A 3 22.752 7.615 -6.223 1.00 0.00 H new ATOM 30 N GLY A 4 19.369 5.949 -6.017 1.00 0.00 N ATOM 31 CA GLY A 4 18.038 6.523 -5.962 1.00 0.00 C ATOM 32 C GLY A 4 18.062 8.035 -5.862 1.00 0.00 C ATOM 33 O GLY A 4 18.825 8.698 -6.565 1.00 0.00 O ATOM 0 H GLY A 4 19.807 5.970 -6.938 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.482 6.230 -6.853 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.504 6.114 -5.104 1.00 0.00 H new ATOM 37 N SER A 5 17.224 8.583 -4.988 1.00 0.00 N ATOM 38 CA SER A 5 17.149 10.027 -4.802 1.00 0.00 C ATOM 39 C SER A 5 17.207 10.389 -3.321 1.00 0.00 C ATOM 40 O SER A 5 17.153 9.515 -2.455 1.00 0.00 O ATOM 41 CB SER A 5 15.862 10.575 -5.423 1.00 0.00 C ATOM 42 OG SER A 5 15.984 10.692 -6.830 1.00 0.00 O ATOM 0 H SER A 5 16.587 8.048 -4.397 1.00 0.00 H new ATOM 0 HA SER A 5 18.007 10.478 -5.301 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.028 9.916 -5.181 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.633 11.550 -4.992 1.00 0.00 H new ATOM 0 HG SER A 5 15.148 11.042 -7.203 1.00 0.00 H new ATOM 48 N SER A 6 17.317 11.683 -3.038 1.00 0.00 N ATOM 49 CA SER A 6 17.387 12.161 -1.663 1.00 0.00 C ATOM 50 C SER A 6 15.992 12.455 -1.119 1.00 0.00 C ATOM 51 O SER A 6 15.168 13.071 -1.793 1.00 0.00 O ATOM 52 CB SER A 6 18.254 13.419 -1.581 1.00 0.00 C ATOM 53 OG SER A 6 18.266 13.946 -0.266 1.00 0.00 O ATOM 0 H SER A 6 17.360 12.419 -3.743 1.00 0.00 H new ATOM 0 HA SER A 6 17.838 11.377 -1.054 1.00 0.00 H new ATOM 0 HB2 SER A 6 19.272 13.183 -1.891 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.876 14.171 -2.274 1.00 0.00 H new ATOM 0 HG SER A 6 18.828 14.748 -0.240 1.00 0.00 H new ATOM 59 N GLY A 7 15.736 12.010 0.108 1.00 0.00 N ATOM 60 CA GLY A 7 14.441 12.234 0.723 1.00 0.00 C ATOM 61 C GLY A 7 13.292 11.849 -0.188 1.00 0.00 C ATOM 62 O GLY A 7 13.467 11.067 -1.123 1.00 0.00 O ATOM 0 H GLY A 7 16.402 11.499 0.687 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.377 11.659 1.647 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.348 13.285 0.995 1.00 0.00 H new ATOM 66 N SER A 8 12.113 12.398 0.085 1.00 0.00 N ATOM 67 CA SER A 8 10.929 12.103 -0.714 1.00 0.00 C ATOM 68 C SER A 8 10.336 13.382 -1.299 1.00 0.00 C ATOM 69 O SER A 8 9.398 13.966 -0.757 1.00 0.00 O ATOM 70 CB SER A 8 9.880 11.384 0.137 1.00 0.00 C ATOM 71 OG SER A 8 10.377 10.150 0.625 1.00 0.00 O ATOM 0 H SER A 8 11.952 13.049 0.853 1.00 0.00 H new ATOM 0 HA SER A 8 11.228 11.453 -1.536 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.589 12.019 0.974 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.983 11.209 -0.457 1.00 0.00 H new ATOM 0 HG SER A 8 9.756 9.788 1.291 1.00 0.00 H new ATOM 77 N PRO A 9 10.897 13.827 -2.433 1.00 0.00 N ATOM 78 CA PRO A 9 10.441 15.041 -3.118 1.00 0.00 C ATOM 79 C PRO A 9 9.065 14.866 -3.751 1.00 0.00 C ATOM 80 O PRO A 9 8.371 15.844 -4.034 1.00 0.00 O ATOM 81 CB PRO A 9 11.503 15.259 -4.198 1.00 0.00 C ATOM 82 CG PRO A 9 12.069 13.904 -4.452 1.00 0.00 C ATOM 83 CD PRO A 9 12.019 13.181 -3.134 1.00 0.00 C ATOM 0 HA PRO A 9 10.333 15.881 -2.432 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.066 15.682 -5.103 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.273 15.953 -3.861 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.491 13.375 -5.209 1.00 0.00 H new ATOM 0 HG3 PRO A 9 13.092 13.971 -4.822 1.00 0.00 H new ATOM 0 HD2 PRO A 9 11.848 12.113 -3.268 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.953 13.287 -2.582 1.00 0.00 H new ATOM 91 N LEU A 10 8.675 13.615 -3.972 1.00 0.00 N ATOM 92 CA LEU A 10 7.380 13.312 -4.573 1.00 0.00 C ATOM 93 C LEU A 10 6.322 13.082 -3.498 1.00 0.00 C ATOM 94 O LEU A 10 5.214 13.609 -3.581 1.00 0.00 O ATOM 95 CB LEU A 10 7.488 12.079 -5.471 1.00 0.00 C ATOM 96 CG LEU A 10 8.423 12.204 -6.674 1.00 0.00 C ATOM 97 CD1 LEU A 10 8.463 10.901 -7.457 1.00 0.00 C ATOM 98 CD2 LEU A 10 7.986 13.354 -7.571 1.00 0.00 C ATOM 0 H LEU A 10 9.237 12.794 -3.744 1.00 0.00 H new ATOM 0 HA LEU A 10 7.078 14.168 -5.177 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.823 11.239 -4.862 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.491 11.831 -5.835 1.00 0.00 H new ATOM 0 HG LEU A 10 9.428 12.415 -6.309 1.00 0.00 H new ATOM 0 HD11 LEU A 10 9.134 11.009 -8.309 1.00 0.00 H new ATOM 0 HD12 LEU A 10 8.823 10.100 -6.812 1.00 0.00 H new ATOM 0 HD13 LEU A 10 7.461 10.659 -7.812 1.00 0.00 H new ATOM 0 HD21 LEU A 10 8.663 13.429 -8.422 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.972 13.172 -7.928 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.010 14.286 -7.006 1.00 0.00 H new ATOM 110 N GLY A 11 6.674 12.293 -2.488 1.00 0.00 N ATOM 111 CA GLY A 11 5.745 12.008 -1.410 1.00 0.00 C ATOM 112 C GLY A 11 5.918 10.611 -0.849 1.00 0.00 C ATOM 113 O GLY A 11 6.887 9.923 -1.168 1.00 0.00 O ATOM 0 H GLY A 11 7.586 11.846 -2.397 1.00 0.00 H new ATOM 0 HA2 GLY A 11 5.885 12.737 -0.612 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.724 12.126 -1.774 1.00 0.00 H new ATOM 117 N GLN A 12 4.976 10.191 -0.010 1.00 0.00 N ATOM 118 CA GLN A 12 5.030 8.867 0.598 1.00 0.00 C ATOM 119 C GLN A 12 3.632 8.277 0.743 1.00 0.00 C ATOM 120 O GLN A 12 2.638 9.004 0.745 1.00 0.00 O ATOM 121 CB GLN A 12 5.711 8.938 1.966 1.00 0.00 C ATOM 122 CG GLN A 12 7.120 9.507 1.915 1.00 0.00 C ATOM 123 CD GLN A 12 7.613 9.966 3.273 1.00 0.00 C ATOM 124 OE1 GLN A 12 7.469 9.259 4.271 1.00 0.00 O ATOM 125 NE2 GLN A 12 8.201 11.156 3.319 1.00 0.00 N ATOM 0 H GLN A 12 4.167 10.748 0.264 1.00 0.00 H new ATOM 0 HA GLN A 12 5.612 8.218 -0.056 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.105 9.551 2.633 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.747 7.937 2.397 1.00 0.00 H new ATOM 0 HG2 GLN A 12 7.799 8.750 1.523 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.144 10.347 1.221 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.300 11.709 2.468 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.554 11.517 4.205 1.00 0.00 H new ATOM 134 N ILE A 13 3.562 6.955 0.865 1.00 0.00 N ATOM 135 CA ILE A 13 2.285 6.268 1.011 1.00 0.00 C ATOM 136 C ILE A 13 2.457 4.938 1.737 1.00 0.00 C ATOM 137 O ILE A 13 3.368 4.168 1.434 1.00 0.00 O ATOM 138 CB ILE A 13 1.623 6.013 -0.356 1.00 0.00 C ATOM 139 CG1 ILE A 13 0.428 5.070 -0.200 1.00 0.00 C ATOM 140 CG2 ILE A 13 2.635 5.436 -1.335 1.00 0.00 C ATOM 141 CD1 ILE A 13 -0.637 5.266 -1.256 1.00 0.00 C ATOM 0 H ILE A 13 4.375 6.339 0.866 1.00 0.00 H new ATOM 0 HA ILE A 13 1.641 6.920 1.600 1.00 0.00 H new ATOM 0 HB ILE A 13 1.264 6.963 -0.752 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.781 4.039 -0.238 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.016 5.219 0.784 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.152 5.261 -2.297 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.458 6.139 -1.465 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.021 4.494 -0.946 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.454 4.565 -1.084 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.018 6.286 -1.204 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.208 5.089 -2.242 1.00 0.00 H new ATOM 153 N GLN A 14 1.573 4.674 2.694 1.00 0.00 N ATOM 154 CA GLN A 14 1.627 3.436 3.462 1.00 0.00 C ATOM 155 C GLN A 14 0.541 2.466 3.008 1.00 0.00 C ATOM 156 O GLN A 14 -0.645 2.800 3.011 1.00 0.00 O ATOM 157 CB GLN A 14 1.473 3.730 4.955 1.00 0.00 C ATOM 158 CG GLN A 14 2.029 2.635 5.851 1.00 0.00 C ATOM 159 CD GLN A 14 2.482 3.159 7.200 1.00 0.00 C ATOM 160 OE1 GLN A 14 3.640 2.995 7.585 1.00 0.00 O ATOM 161 NE2 GLN A 14 1.569 3.793 7.926 1.00 0.00 N ATOM 0 H GLN A 14 0.812 5.300 2.956 1.00 0.00 H new ATOM 0 HA GLN A 14 2.598 2.973 3.289 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.978 4.668 5.186 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.416 3.872 5.182 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.267 1.870 6.000 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.870 2.154 5.351 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.621 3.906 7.567 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.816 4.167 8.842 1.00 0.00 H new ATOM 170 N LEU A 15 0.952 1.265 2.618 1.00 0.00 N ATOM 171 CA LEU A 15 0.014 0.246 2.160 1.00 0.00 C ATOM 172 C LEU A 15 0.300 -1.096 2.826 1.00 0.00 C ATOM 173 O LEU A 15 1.414 -1.615 2.749 1.00 0.00 O ATOM 174 CB LEU A 15 0.090 0.100 0.639 1.00 0.00 C ATOM 175 CG LEU A 15 -0.229 1.357 -0.172 1.00 0.00 C ATOM 176 CD1 LEU A 15 0.342 1.244 -1.577 1.00 0.00 C ATOM 177 CD2 LEU A 15 -1.732 1.591 -0.223 1.00 0.00 C ATOM 0 H LEU A 15 1.929 0.972 2.610 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.991 0.562 2.438 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.094 -0.233 0.376 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.598 -0.689 0.335 1.00 0.00 H new ATOM 0 HG LEU A 15 0.236 2.212 0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.105 2.147 -2.140 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.424 1.124 -1.521 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.094 0.380 -2.078 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.941 2.489 -0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.218 0.735 -0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.115 1.717 0.790 1.00 0.00 H new ATOM 189 N THR A 16 -0.714 -1.655 3.479 1.00 0.00 N ATOM 190 CA THR A 16 -0.573 -2.937 4.157 1.00 0.00 C ATOM 191 C THR A 16 -0.872 -4.095 3.213 1.00 0.00 C ATOM 192 O THR A 16 -2.025 -4.326 2.845 1.00 0.00 O ATOM 193 CB THR A 16 -1.505 -3.032 5.380 1.00 0.00 C ATOM 194 OG1 THR A 16 -1.296 -1.910 6.244 1.00 0.00 O ATOM 195 CG2 THR A 16 -1.262 -4.323 6.147 1.00 0.00 C ATOM 0 H THR A 16 -1.643 -1.239 3.552 1.00 0.00 H new ATOM 0 HA THR A 16 0.462 -3.004 4.492 1.00 0.00 H new ATOM 0 HB THR A 16 -2.535 -3.028 5.025 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.501 -2.065 6.796 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.932 -4.367 7.006 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.452 -5.175 5.494 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.228 -4.353 6.491 1.00 0.00 H new ATOM 203 N ILE A 17 0.171 -4.820 2.823 1.00 0.00 N ATOM 204 CA ILE A 17 0.018 -5.956 1.922 1.00 0.00 C ATOM 205 C ILE A 17 0.063 -7.275 2.687 1.00 0.00 C ATOM 206 O ILE A 17 1.039 -7.571 3.377 1.00 0.00 O ATOM 207 CB ILE A 17 1.112 -5.966 0.839 1.00 0.00 C ATOM 208 CG1 ILE A 17 1.167 -4.614 0.126 1.00 0.00 C ATOM 209 CG2 ILE A 17 0.859 -7.087 -0.158 1.00 0.00 C ATOM 210 CD1 ILE A 17 2.316 -4.492 -0.851 1.00 0.00 C ATOM 0 H ILE A 17 1.131 -4.641 3.117 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.955 -5.850 1.443 1.00 0.00 H new ATOM 0 HB ILE A 17 2.075 -6.142 1.318 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.229 -4.455 -0.407 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.249 -3.823 0.871 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.641 -7.082 -0.918 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.865 -8.045 0.362 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.110 -6.939 -0.634 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.292 -3.508 -1.319 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.260 -4.619 -0.321 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.225 -5.261 -1.618 1.00 0.00 H new ATOM 222 N ARG A 18 -0.999 -8.063 2.559 1.00 0.00 N ATOM 223 CA ARG A 18 -1.081 -9.351 3.238 1.00 0.00 C ATOM 224 C ARG A 18 -1.956 -10.324 2.454 1.00 0.00 C ATOM 225 O ARG A 18 -3.181 -10.197 2.435 1.00 0.00 O ATOM 226 CB ARG A 18 -1.638 -9.172 4.651 1.00 0.00 C ATOM 227 CG ARG A 18 -1.444 -10.389 5.541 1.00 0.00 C ATOM 228 CD ARG A 18 -2.288 -10.297 6.803 1.00 0.00 C ATOM 229 NE ARG A 18 -1.686 -9.417 7.801 1.00 0.00 N ATOM 230 CZ ARG A 18 -1.873 -8.102 7.829 1.00 0.00 C ATOM 231 NH1 ARG A 18 -2.641 -7.518 6.919 1.00 0.00 N ATOM 232 NH2 ARG A 18 -1.291 -7.368 8.769 1.00 0.00 N ATOM 0 H ARG A 18 -1.815 -7.833 1.992 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.075 -9.765 3.301 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.156 -8.312 5.116 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.702 -8.945 4.587 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.710 -11.291 4.989 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -0.392 -10.479 5.811 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.282 -9.930 6.548 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.415 -11.293 7.227 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.090 -9.835 8.515 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.090 -8.079 6.195 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.783 -6.508 6.943 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.700 -7.813 9.471 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.435 -6.358 8.790 1.00 0.00 H new ATOM 246 N HIS A 19 -1.320 -11.296 1.807 1.00 0.00 N ATOM 247 CA HIS A 19 -2.041 -12.291 1.021 1.00 0.00 C ATOM 248 C HIS A 19 -2.231 -13.578 1.818 1.00 0.00 C ATOM 249 O HIS A 19 -1.262 -14.249 2.172 1.00 0.00 O ATOM 250 CB HIS A 19 -1.290 -12.587 -0.278 1.00 0.00 C ATOM 251 CG HIS A 19 -1.911 -13.680 -1.092 1.00 0.00 C ATOM 252 ND1 HIS A 19 -1.764 -15.018 -0.793 1.00 0.00 N ATOM 253 CD2 HIS A 19 -2.686 -13.626 -2.201 1.00 0.00 C ATOM 254 CE1 HIS A 19 -2.420 -15.740 -1.683 1.00 0.00 C ATOM 255 NE2 HIS A 19 -2.989 -14.920 -2.548 1.00 0.00 N ATOM 0 H HIS A 19 -0.307 -11.416 1.812 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.024 -11.886 0.779 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -1.246 -11.678 -0.878 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -0.262 -12.861 -0.040 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -3.006 -12.733 -2.716 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -2.481 -16.818 -1.701 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -3.561 -15.202 -3.344 1.00 0.00 H new ATOM 263 N SER A 20 -3.486 -13.916 2.096 1.00 0.00 N ATOM 264 CA SER A 20 -3.803 -15.121 2.854 1.00 0.00 C ATOM 265 C SER A 20 -3.794 -16.350 1.951 1.00 0.00 C ATOM 266 O SER A 20 -4.420 -16.359 0.891 1.00 0.00 O ATOM 267 CB SER A 20 -5.169 -14.979 3.529 1.00 0.00 C ATOM 268 OG SER A 20 -5.616 -16.223 4.040 1.00 0.00 O ATOM 0 H SER A 20 -4.300 -13.373 1.808 1.00 0.00 H new ATOM 0 HA SER A 20 -3.038 -15.250 3.620 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.105 -14.252 4.338 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.894 -14.595 2.812 1.00 0.00 H new ATOM 0 HG SER A 20 -6.596 -16.244 4.039 1.00 0.00 H new ATOM 274 N SER A 21 -3.080 -17.386 2.378 1.00 0.00 N ATOM 275 CA SER A 21 -2.985 -18.620 1.607 1.00 0.00 C ATOM 276 C SER A 21 -4.289 -19.408 1.681 1.00 0.00 C ATOM 277 O SER A 21 -4.768 -19.931 0.676 1.00 0.00 O ATOM 278 CB SER A 21 -1.827 -19.478 2.118 1.00 0.00 C ATOM 279 OG SER A 21 -1.959 -19.740 3.505 1.00 0.00 O ATOM 0 H SER A 21 -2.558 -17.396 3.254 1.00 0.00 H new ATOM 0 HA SER A 21 -2.799 -18.356 0.566 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.797 -20.419 1.568 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.882 -18.969 1.929 1.00 0.00 H new ATOM 0 HG SER A 21 -1.207 -20.292 3.807 1.00 0.00 H new ATOM 285 N GLN A 22 -4.857 -19.488 2.880 1.00 0.00 N ATOM 286 CA GLN A 22 -6.105 -20.214 3.087 1.00 0.00 C ATOM 287 C GLN A 22 -7.232 -19.604 2.259 1.00 0.00 C ATOM 288 O GLN A 22 -8.051 -20.322 1.685 1.00 0.00 O ATOM 289 CB GLN A 22 -6.484 -20.207 4.569 1.00 0.00 C ATOM 290 CG GLN A 22 -5.900 -21.372 5.351 1.00 0.00 C ATOM 291 CD GLN A 22 -6.123 -22.706 4.665 1.00 0.00 C ATOM 292 OE1 GLN A 22 -7.158 -23.347 4.851 1.00 0.00 O ATOM 293 NE2 GLN A 22 -5.151 -23.131 3.867 1.00 0.00 N ATOM 0 H GLN A 22 -4.473 -19.059 3.722 1.00 0.00 H new ATOM 0 HA GLN A 22 -5.956 -21.244 2.763 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -6.146 -19.273 5.018 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -7.570 -20.228 4.658 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.830 -21.213 5.488 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -6.348 -21.399 6.344 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -4.310 -22.567 3.742 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -5.245 -24.022 3.379 1.00 0.00 H new ATOM 302 N ARG A 23 -7.266 -18.277 2.202 1.00 0.00 N ATOM 303 CA ARG A 23 -8.294 -17.572 1.445 1.00 0.00 C ATOM 304 C ARG A 23 -7.818 -17.279 0.025 1.00 0.00 C ATOM 305 O ARG A 23 -8.626 -17.105 -0.887 1.00 0.00 O ATOM 306 CB ARG A 23 -8.669 -16.266 2.148 1.00 0.00 C ATOM 307 CG ARG A 23 -9.379 -16.472 3.476 1.00 0.00 C ATOM 308 CD ARG A 23 -10.054 -15.194 3.951 1.00 0.00 C ATOM 309 NE ARG A 23 -10.294 -15.205 5.391 1.00 0.00 N ATOM 310 CZ ARG A 23 -11.080 -14.332 6.012 1.00 0.00 C ATOM 311 NH1 ARG A 23 -11.699 -13.384 5.321 1.00 0.00 N ATOM 312 NH2 ARG A 23 -11.249 -14.406 7.326 1.00 0.00 N ATOM 0 H ARG A 23 -6.594 -17.669 2.670 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.174 -18.213 1.390 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.765 -15.681 2.316 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -9.310 -15.680 1.490 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.124 -17.261 3.373 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.662 -16.806 4.225 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.431 -14.338 3.694 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.001 -15.068 3.427 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.833 -15.922 5.951 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.572 -13.324 4.311 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.302 -12.715 5.800 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.775 -15.134 7.861 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.853 -13.735 7.801 1.00 0.00 H new ATOM 326 N ASN A 24 -6.503 -17.225 -0.154 1.00 0.00 N ATOM 327 CA ASN A 24 -5.920 -16.952 -1.462 1.00 0.00 C ATOM 328 C ASN A 24 -6.441 -15.634 -2.026 1.00 0.00 C ATOM 329 O ASN A 24 -6.921 -15.576 -3.158 1.00 0.00 O ATOM 330 CB ASN A 24 -6.233 -18.093 -2.432 1.00 0.00 C ATOM 331 CG ASN A 24 -5.926 -19.455 -1.840 1.00 0.00 C ATOM 332 OD1 ASN A 24 -4.811 -19.962 -1.966 1.00 0.00 O ATOM 333 ND2 ASN A 24 -6.917 -20.055 -1.190 1.00 0.00 N ATOM 0 H ASN A 24 -5.820 -17.367 0.591 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.840 -16.873 -1.340 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.286 -18.050 -2.712 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.655 -17.958 -3.346 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.770 -20.973 -0.771 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -7.825 -19.598 -1.110 1.00 0.00 H new ATOM 340 N LYS A 25 -6.343 -14.576 -1.228 1.00 0.00 N ATOM 341 CA LYS A 25 -6.802 -13.256 -1.646 1.00 0.00 C ATOM 342 C LYS A 25 -5.747 -12.195 -1.351 1.00 0.00 C ATOM 343 O LYS A 25 -4.972 -12.321 -0.402 1.00 0.00 O ATOM 344 CB LYS A 25 -8.110 -12.901 -0.937 1.00 0.00 C ATOM 345 CG LYS A 25 -9.292 -13.747 -1.379 1.00 0.00 C ATOM 346 CD LYS A 25 -10.605 -13.001 -1.215 1.00 0.00 C ATOM 347 CE LYS A 25 -11.757 -13.954 -0.941 1.00 0.00 C ATOM 348 NZ LYS A 25 -12.209 -14.649 -2.178 1.00 0.00 N ATOM 0 H LYS A 25 -5.950 -14.607 -0.287 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.975 -13.282 -2.722 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.973 -13.017 0.138 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.338 -11.851 -1.118 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.164 -14.035 -2.422 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.320 -14.667 -0.795 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.519 -12.287 -0.396 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.813 -12.427 -2.118 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.449 -14.693 -0.201 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.591 -13.401 -0.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.996 -15.290 -1.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.527 -13.946 -2.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.420 -15.198 -2.576 1.00 0.00 H new ATOM 362 N LEU A 26 -5.723 -11.148 -2.169 1.00 0.00 N ATOM 363 CA LEU A 26 -4.764 -10.063 -1.995 1.00 0.00 C ATOM 364 C LEU A 26 -5.443 -8.823 -1.419 1.00 0.00 C ATOM 365 O LEU A 26 -6.154 -8.109 -2.126 1.00 0.00 O ATOM 366 CB LEU A 26 -4.102 -9.721 -3.331 1.00 0.00 C ATOM 367 CG LEU A 26 -3.119 -8.551 -3.313 1.00 0.00 C ATOM 368 CD1 LEU A 26 -1.811 -8.963 -2.656 1.00 0.00 C ATOM 369 CD2 LEU A 26 -2.870 -8.041 -4.726 1.00 0.00 C ATOM 0 H LEU A 26 -6.357 -11.028 -2.959 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.000 -10.396 -1.293 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.576 -10.606 -3.690 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.886 -9.500 -4.056 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.557 -7.743 -2.728 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.123 -8.117 -2.652 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.003 -9.279 -1.631 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.368 -9.788 -3.213 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.168 -7.208 -4.694 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.453 -8.844 -5.334 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.811 -7.706 -5.163 1.00 0.00 H new ATOM 381 N ILE A 27 -5.216 -8.575 -0.134 1.00 0.00 N ATOM 382 CA ILE A 27 -5.803 -7.420 0.535 1.00 0.00 C ATOM 383 C ILE A 27 -4.791 -6.287 0.664 1.00 0.00 C ATOM 384 O ILE A 27 -3.626 -6.514 0.993 1.00 0.00 O ATOM 385 CB ILE A 27 -6.327 -7.787 1.936 1.00 0.00 C ATOM 386 CG1 ILE A 27 -7.364 -8.907 1.839 1.00 0.00 C ATOM 387 CG2 ILE A 27 -6.922 -6.563 2.616 1.00 0.00 C ATOM 388 CD1 ILE A 27 -6.766 -10.294 1.920 1.00 0.00 C ATOM 0 H ILE A 27 -4.630 -9.157 0.465 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.639 -7.089 -0.081 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.492 -8.143 2.539 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -8.092 -8.787 2.641 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -7.906 -8.808 0.899 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.288 -6.838 3.605 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.157 -5.793 2.714 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -7.748 -6.180 2.017 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -7.560 -11.037 1.844 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.059 -10.434 1.102 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -6.248 -10.412 2.872 1.00 0.00 H new ATOM 400 N VAL A 28 -5.243 -5.064 0.404 1.00 0.00 N ATOM 401 CA VAL A 28 -4.379 -3.893 0.493 1.00 0.00 C ATOM 402 C VAL A 28 -5.093 -2.733 1.177 1.00 0.00 C ATOM 403 O VAL A 28 -6.088 -2.217 0.669 1.00 0.00 O ATOM 404 CB VAL A 28 -3.902 -3.440 -0.899 1.00 0.00 C ATOM 405 CG1 VAL A 28 -2.858 -2.341 -0.775 1.00 0.00 C ATOM 406 CG2 VAL A 28 -3.354 -4.621 -1.686 1.00 0.00 C ATOM 0 H VAL A 28 -6.204 -4.859 0.130 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.513 -4.184 1.088 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.757 -3.036 -1.442 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.533 -2.034 -1.769 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.290 -1.486 -0.254 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.002 -2.714 -0.213 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.022 -4.282 -2.667 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.512 -5.057 -1.149 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.135 -5.371 -1.807 1.00 0.00 H new ATOM 416 N VAL A 29 -4.579 -2.327 2.333 1.00 0.00 N ATOM 417 CA VAL A 29 -5.166 -1.226 3.087 1.00 0.00 C ATOM 418 C VAL A 29 -4.444 0.085 2.798 1.00 0.00 C ATOM 419 O VAL A 29 -3.217 0.159 2.868 1.00 0.00 O ATOM 420 CB VAL A 29 -5.126 -1.499 4.603 1.00 0.00 C ATOM 421 CG1 VAL A 29 -5.954 -0.467 5.353 1.00 0.00 C ATOM 422 CG2 VAL A 29 -5.615 -2.908 4.903 1.00 0.00 C ATOM 0 H VAL A 29 -3.756 -2.744 2.768 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.205 -1.143 2.768 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.094 -1.417 4.943 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -5.914 -0.676 6.422 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.554 0.529 5.162 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.988 -0.513 5.013 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -5.580 -3.084 5.978 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.640 -3.020 4.550 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.976 -3.631 4.396 1.00 0.00 H new ATOM 432 N VAL A 30 -5.214 1.119 2.474 1.00 0.00 N ATOM 433 CA VAL A 30 -4.647 2.429 2.176 1.00 0.00 C ATOM 434 C VAL A 30 -4.946 3.424 3.292 1.00 0.00 C ATOM 435 O VAL A 30 -5.901 4.197 3.210 1.00 0.00 O ATOM 436 CB VAL A 30 -5.192 2.987 0.847 1.00 0.00 C ATOM 437 CG1 VAL A 30 -4.359 4.172 0.383 1.00 0.00 C ATOM 438 CG2 VAL A 30 -5.223 1.898 -0.215 1.00 0.00 C ATOM 0 H VAL A 30 -6.231 1.075 2.411 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.569 2.295 2.091 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.213 3.333 1.010 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.759 4.552 -0.557 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.394 4.959 1.137 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.326 3.856 0.236 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.611 2.310 -1.147 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.214 1.519 -0.377 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.867 1.084 0.117 1.00 0.00 H new ATOM 448 N HIS A 31 -4.122 3.399 4.335 1.00 0.00 N ATOM 449 CA HIS A 31 -4.297 4.299 5.469 1.00 0.00 C ATOM 450 C HIS A 31 -4.417 5.746 5.000 1.00 0.00 C ATOM 451 O HIS A 31 -5.501 6.329 5.024 1.00 0.00 O ATOM 452 CB HIS A 31 -3.126 4.162 6.442 1.00 0.00 C ATOM 453 CG HIS A 31 -2.980 2.785 7.013 1.00 0.00 C ATOM 454 ND1 HIS A 31 -3.759 2.312 8.048 1.00 0.00 N ATOM 455 CD2 HIS A 31 -2.139 1.776 6.686 1.00 0.00 C ATOM 456 CE1 HIS A 31 -3.403 1.073 8.334 1.00 0.00 C ATOM 457 NE2 HIS A 31 -2.422 0.723 7.522 1.00 0.00 N ATOM 0 H HIS A 31 -3.327 2.765 4.418 1.00 0.00 H new ATOM 0 HA HIS A 31 -5.219 4.023 5.981 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -2.204 4.433 5.928 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -3.257 4.873 7.258 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -1.386 1.795 5.912 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -3.840 0.451 9.102 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -1.951 -0.182 7.516 1.00 0.00 H new ATOM 465 N ALA A 32 -3.296 6.320 4.574 1.00 0.00 N ATOM 466 CA ALA A 32 -3.277 7.698 4.099 1.00 0.00 C ATOM 467 C ALA A 32 -1.904 8.068 3.546 1.00 0.00 C ATOM 468 O ALA A 32 -0.902 7.429 3.869 1.00 0.00 O ATOM 469 CB ALA A 32 -3.671 8.648 5.219 1.00 0.00 C ATOM 0 H ALA A 32 -2.390 5.852 4.548 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.002 7.788 3.290 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.652 9.673 4.850 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.676 8.405 5.565 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.968 8.547 6.046 1.00 0.00 H new ATOM 475 N CYS A 33 -1.867 9.101 2.713 1.00 0.00 N ATOM 476 CA CYS A 33 -0.617 9.556 2.114 1.00 0.00 C ATOM 477 C CYS A 33 -0.148 10.858 2.755 1.00 0.00 C ATOM 478 O CYS A 33 -0.918 11.539 3.433 1.00 0.00 O ATOM 479 CB CYS A 33 -0.790 9.748 0.607 1.00 0.00 C ATOM 480 SG CYS A 33 -1.487 8.314 -0.246 1.00 0.00 S ATOM 0 H CYS A 33 -2.688 9.640 2.437 1.00 0.00 H new ATOM 0 HA CYS A 33 0.141 8.793 2.291 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.435 10.609 0.433 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.180 9.982 0.168 1.00 0.00 H new ATOM 0 HG CYS A 33 -1.040 8.275 -1.466 1.00 0.00 H new ATOM 486 N ARG A 34 1.118 11.196 2.537 1.00 0.00 N ATOM 487 CA ARG A 34 1.690 12.415 3.096 1.00 0.00 C ATOM 488 C ARG A 34 2.790 12.965 2.192 1.00 0.00 C ATOM 489 O ARG A 34 3.331 12.248 1.352 1.00 0.00 O ATOM 490 CB ARG A 34 2.251 12.147 4.494 1.00 0.00 C ATOM 491 CG ARG A 34 3.146 10.920 4.566 1.00 0.00 C ATOM 492 CD ARG A 34 3.286 10.416 5.993 1.00 0.00 C ATOM 493 NE ARG A 34 4.341 11.117 6.720 1.00 0.00 N ATOM 494 CZ ARG A 34 4.906 10.649 7.827 1.00 0.00 C ATOM 495 NH1 ARG A 34 4.521 9.485 8.332 1.00 0.00 N ATOM 496 NH2 ARG A 34 5.860 11.346 8.432 1.00 0.00 N ATOM 0 H ARG A 34 1.767 10.643 1.977 1.00 0.00 H new ATOM 0 HA ARG A 34 0.896 13.159 3.167 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.817 13.019 4.823 1.00 0.00 H new ATOM 0 HB3 ARG A 34 1.422 12.023 5.191 1.00 0.00 H new ATOM 0 HG2 ARG A 34 2.733 10.130 3.939 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.131 11.163 4.166 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.339 10.543 6.517 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.503 9.348 5.981 1.00 0.00 H new ATOM 0 HE ARG A 34 4.661 12.015 6.358 1.00 0.00 H new ATOM 0 HH11 ARG A 34 3.789 8.946 7.870 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.957 9.129 9.182 1.00 0.00 H new ATOM 0 HH21 ARG A 34 6.160 12.242 8.047 1.00 0.00 H new ATOM 0 HH22 ARG A 34 6.293 10.986 9.282 1.00 0.00 H new ATOM 510 N ASN A 35 3.113 14.241 2.371 1.00 0.00 N ATOM 511 CA ASN A 35 4.147 14.887 1.570 1.00 0.00 C ATOM 512 C ASN A 35 3.799 14.832 0.086 1.00 0.00 C ATOM 513 O ASN A 35 4.662 14.581 -0.756 1.00 0.00 O ATOM 514 CB ASN A 35 5.502 14.218 1.813 1.00 0.00 C ATOM 515 CG ASN A 35 5.973 14.371 3.247 1.00 0.00 C ATOM 516 OD1 ASN A 35 6.245 15.480 3.707 1.00 0.00 O ATOM 517 ND2 ASN A 35 6.072 13.255 3.959 1.00 0.00 N ATOM 0 H ASN A 35 2.674 14.848 3.063 1.00 0.00 H new ATOM 0 HA ASN A 35 4.206 15.932 1.873 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.430 13.158 1.568 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.244 14.651 1.142 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.384 13.295 4.929 1.00 0.00 H new ATOM 0 HD22 ASN A 35 5.836 12.357 3.536 1.00 0.00 H new ATOM 524 N LEU A 36 2.530 15.069 -0.228 1.00 0.00 N ATOM 525 CA LEU A 36 2.068 15.047 -1.611 1.00 0.00 C ATOM 526 C LEU A 36 2.068 16.451 -2.207 1.00 0.00 C ATOM 527 O LEU A 36 1.099 17.198 -2.062 1.00 0.00 O ATOM 528 CB LEU A 36 0.663 14.447 -1.690 1.00 0.00 C ATOM 529 CG LEU A 36 0.558 12.945 -1.424 1.00 0.00 C ATOM 530 CD1 LEU A 36 -0.883 12.479 -1.556 1.00 0.00 C ATOM 531 CD2 LEU A 36 1.460 12.171 -2.374 1.00 0.00 C ATOM 0 H LEU A 36 1.803 15.278 0.456 1.00 0.00 H new ATOM 0 HA LEU A 36 2.754 14.427 -2.188 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.027 14.968 -0.974 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.259 14.649 -2.682 1.00 0.00 H new ATOM 0 HG LEU A 36 0.888 12.752 -0.403 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.938 11.408 -1.363 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.505 13.010 -0.835 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.241 12.685 -2.565 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.373 11.104 -2.170 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.161 12.370 -3.403 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.494 12.484 -2.230 1.00 0.00 H new ATOM 543 N ILE A 37 3.158 16.803 -2.880 1.00 0.00 N ATOM 544 CA ILE A 37 3.282 18.116 -3.501 1.00 0.00 C ATOM 545 C ILE A 37 2.063 18.435 -4.359 1.00 0.00 C ATOM 546 O ILE A 37 1.320 17.539 -4.759 1.00 0.00 O ATOM 547 CB ILE A 37 4.548 18.209 -4.373 1.00 0.00 C ATOM 548 CG1 ILE A 37 4.429 17.282 -5.584 1.00 0.00 C ATOM 549 CG2 ILE A 37 5.782 17.863 -3.553 1.00 0.00 C ATOM 550 CD1 ILE A 37 3.734 17.920 -6.767 1.00 0.00 C ATOM 0 H ILE A 37 3.968 16.197 -3.009 1.00 0.00 H new ATOM 0 HA ILE A 37 3.354 18.843 -2.692 1.00 0.00 H new ATOM 0 HB ILE A 37 4.650 19.233 -4.732 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.426 16.964 -5.887 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.883 16.385 -5.292 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.669 17.933 -4.183 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.873 18.560 -2.720 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.690 16.847 -3.168 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.685 17.206 -7.589 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.724 18.213 -6.481 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.291 18.801 -7.085 1.00 0.00 H new ATOM 562 N ALA A 38 1.864 19.719 -4.641 1.00 0.00 N ATOM 563 CA ALA A 38 0.738 20.156 -5.456 1.00 0.00 C ATOM 564 C ALA A 38 1.213 20.941 -6.674 1.00 0.00 C ATOM 565 O ALA A 38 2.079 21.809 -6.567 1.00 0.00 O ATOM 566 CB ALA A 38 -0.219 20.998 -4.625 1.00 0.00 C ATOM 0 H ALA A 38 2.468 20.474 -4.317 1.00 0.00 H new ATOM 0 HA ALA A 38 0.212 19.269 -5.810 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.056 21.318 -5.246 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.593 20.406 -3.790 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.305 21.874 -4.243 1.00 0.00 H new ATOM 572 N PHE A 39 0.642 20.629 -7.833 1.00 0.00 N ATOM 573 CA PHE A 39 1.009 21.303 -9.072 1.00 0.00 C ATOM 574 C PHE A 39 0.746 22.803 -8.974 1.00 0.00 C ATOM 575 O PHE A 39 1.339 23.598 -9.703 1.00 0.00 O ATOM 576 CB PHE A 39 0.229 20.713 -10.249 1.00 0.00 C ATOM 577 CG PHE A 39 0.972 20.779 -11.553 1.00 0.00 C ATOM 578 CD1 PHE A 39 1.177 21.993 -12.189 1.00 0.00 C ATOM 579 CD2 PHE A 39 1.465 19.626 -12.143 1.00 0.00 C ATOM 580 CE1 PHE A 39 1.860 22.055 -13.389 1.00 0.00 C ATOM 581 CE2 PHE A 39 2.148 19.682 -13.344 1.00 0.00 C ATOM 582 CZ PHE A 39 2.347 20.899 -13.967 1.00 0.00 C ATOM 0 H PHE A 39 -0.077 19.913 -7.939 1.00 0.00 H new ATOM 0 HA PHE A 39 2.075 21.149 -9.238 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.013 19.673 -10.030 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.717 21.245 -10.351 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.799 22.901 -11.742 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.314 18.672 -11.659 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.013 23.007 -13.875 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.525 18.776 -13.794 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.882 20.946 -14.904 1.00 0.00 H new ATOM 592 N SER A 40 -0.149 23.182 -8.067 1.00 0.00 N ATOM 593 CA SER A 40 -0.495 24.586 -7.875 1.00 0.00 C ATOM 594 C SER A 40 -1.008 24.830 -6.459 1.00 0.00 C ATOM 595 O SER A 40 -2.010 24.250 -6.043 1.00 0.00 O ATOM 596 CB SER A 40 -1.551 25.016 -8.894 1.00 0.00 C ATOM 597 OG SER A 40 -1.883 26.385 -8.737 1.00 0.00 O ATOM 0 H SER A 40 -0.647 22.537 -7.454 1.00 0.00 H new ATOM 0 HA SER A 40 0.406 25.181 -8.023 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.179 24.842 -9.904 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.446 24.405 -8.775 1.00 0.00 H new ATOM 0 HG SER A 40 -2.559 26.636 -9.401 1.00 0.00 H new ATOM 603 N GLU A 41 -0.313 25.693 -5.725 1.00 0.00 N ATOM 604 CA GLU A 41 -0.698 26.013 -4.355 1.00 0.00 C ATOM 605 C GLU A 41 -2.216 26.075 -4.217 1.00 0.00 C ATOM 606 O GLU A 41 -2.781 25.593 -3.236 1.00 0.00 O ATOM 607 CB GLU A 41 -0.081 27.347 -3.927 1.00 0.00 C ATOM 608 CG GLU A 41 -0.108 27.576 -2.426 1.00 0.00 C ATOM 609 CD GLU A 41 0.905 28.610 -1.975 1.00 0.00 C ATOM 610 OE1 GLU A 41 2.090 28.481 -2.347 1.00 0.00 O ATOM 611 OE2 GLU A 41 0.513 29.549 -1.250 1.00 0.00 O ATOM 0 H GLU A 41 0.519 26.183 -6.055 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.323 25.222 -3.705 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.952 27.388 -4.274 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.615 28.159 -4.420 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.106 27.898 -2.129 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.088 26.633 -1.915 1.00 0.00 H new ATOM 618 N ASP A 42 -2.870 26.673 -5.207 1.00 0.00 N ATOM 619 CA ASP A 42 -4.323 26.798 -5.198 1.00 0.00 C ATOM 620 C ASP A 42 -4.972 25.552 -4.604 1.00 0.00 C ATOM 621 O ASP A 42 -5.855 25.645 -3.752 1.00 0.00 O ATOM 622 CB ASP A 42 -4.845 27.034 -6.616 1.00 0.00 C ATOM 623 CG ASP A 42 -6.341 26.814 -6.726 1.00 0.00 C ATOM 624 OD1 ASP A 42 -7.070 27.213 -5.794 1.00 0.00 O ATOM 625 OD2 ASP A 42 -6.783 26.243 -7.745 1.00 0.00 O ATOM 0 H ASP A 42 -2.417 27.079 -6.026 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.585 27.654 -4.576 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.607 28.052 -6.923 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.331 26.365 -7.306 1.00 0.00 H new ATOM 630 N GLY A 43 -4.529 24.385 -5.061 1.00 0.00 N ATOM 631 CA GLY A 43 -5.078 23.137 -4.565 1.00 0.00 C ATOM 632 C GLY A 43 -5.031 22.030 -5.600 1.00 0.00 C ATOM 633 O GLY A 43 -5.163 22.285 -6.797 1.00 0.00 O ATOM 0 H GLY A 43 -3.799 24.282 -5.766 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.523 22.826 -3.680 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.111 23.296 -4.254 1.00 0.00 H new ATOM 637 N SER A 44 -4.840 20.799 -5.139 1.00 0.00 N ATOM 638 CA SER A 44 -4.770 19.650 -6.035 1.00 0.00 C ATOM 639 C SER A 44 -5.719 18.546 -5.578 1.00 0.00 C ATOM 640 O SER A 44 -6.188 18.547 -4.440 1.00 0.00 O ATOM 641 CB SER A 44 -3.338 19.113 -6.099 1.00 0.00 C ATOM 642 OG SER A 44 -3.100 18.171 -5.067 1.00 0.00 O ATOM 0 H SER A 44 -4.731 20.571 -4.151 1.00 0.00 H new ATOM 0 HA SER A 44 -5.073 19.977 -7.030 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.164 18.646 -7.069 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.632 19.939 -6.012 1.00 0.00 H new ATOM 0 HG SER A 44 -2.179 17.842 -5.131 1.00 0.00 H new ATOM 648 N ASP A 45 -5.997 17.605 -6.474 1.00 0.00 N ATOM 649 CA ASP A 45 -6.889 16.494 -6.164 1.00 0.00 C ATOM 650 C ASP A 45 -6.134 15.169 -6.184 1.00 0.00 C ATOM 651 O ASP A 45 -6.167 14.422 -7.162 1.00 0.00 O ATOM 652 CB ASP A 45 -8.048 16.450 -7.161 1.00 0.00 C ATOM 653 CG ASP A 45 -8.460 17.831 -7.631 1.00 0.00 C ATOM 654 OD1 ASP A 45 -8.411 18.775 -6.816 1.00 0.00 O ATOM 655 OD2 ASP A 45 -8.831 17.967 -8.816 1.00 0.00 O ATOM 0 H ASP A 45 -5.617 17.590 -7.421 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.288 16.649 -5.161 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -7.760 15.847 -8.022 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.903 15.957 -6.698 1.00 0.00 H new ATOM 660 N PRO A 46 -5.435 14.869 -5.079 1.00 0.00 N ATOM 661 CA PRO A 46 -4.657 13.634 -4.945 1.00 0.00 C ATOM 662 C PRO A 46 -5.545 12.399 -4.837 1.00 0.00 C ATOM 663 O PRO A 46 -6.651 12.463 -4.299 1.00 0.00 O ATOM 664 CB PRO A 46 -3.875 13.846 -3.646 1.00 0.00 C ATOM 665 CG PRO A 46 -4.695 14.813 -2.864 1.00 0.00 C ATOM 666 CD PRO A 46 -5.350 15.713 -3.875 1.00 0.00 C ATOM 0 HA PRO A 46 -4.025 13.454 -5.814 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.745 12.909 -3.105 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.879 14.241 -3.844 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.441 14.295 -2.262 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.073 15.386 -2.177 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.335 16.040 -3.543 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.760 16.612 -4.055 1.00 0.00 H new ATOM 674 N TYR A 47 -5.054 11.276 -5.350 1.00 0.00 N ATOM 675 CA TYR A 47 -5.805 10.027 -5.313 1.00 0.00 C ATOM 676 C TYR A 47 -4.885 8.832 -5.545 1.00 0.00 C ATOM 677 O TYR A 47 -3.832 8.956 -6.170 1.00 0.00 O ATOM 678 CB TYR A 47 -6.914 10.042 -6.365 1.00 0.00 C ATOM 679 CG TYR A 47 -6.409 9.874 -7.780 1.00 0.00 C ATOM 680 CD1 TYR A 47 -5.812 10.932 -8.456 1.00 0.00 C ATOM 681 CD2 TYR A 47 -6.528 8.658 -8.442 1.00 0.00 C ATOM 682 CE1 TYR A 47 -5.350 10.783 -9.749 1.00 0.00 C ATOM 683 CE2 TYR A 47 -6.067 8.500 -9.734 1.00 0.00 C ATOM 684 CZ TYR A 47 -5.479 9.565 -10.384 1.00 0.00 C ATOM 685 OH TYR A 47 -5.019 9.413 -11.672 1.00 0.00 O ATOM 0 H TYR A 47 -4.139 11.205 -5.796 1.00 0.00 H new ATOM 0 HA TYR A 47 -6.254 9.932 -4.324 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -7.623 9.244 -6.144 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.460 10.983 -6.292 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -5.708 11.887 -7.962 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -6.989 7.822 -7.937 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.890 11.616 -10.260 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.166 7.547 -10.233 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.185 8.495 -11.973 1.00 0.00 H new ATOM 695 N VAL A 48 -5.291 7.673 -5.036 1.00 0.00 N ATOM 696 CA VAL A 48 -4.506 6.454 -5.188 1.00 0.00 C ATOM 697 C VAL A 48 -5.119 5.533 -6.238 1.00 0.00 C ATOM 698 O VAL A 48 -6.340 5.424 -6.345 1.00 0.00 O ATOM 699 CB VAL A 48 -4.391 5.690 -3.856 1.00 0.00 C ATOM 700 CG1 VAL A 48 -3.545 4.438 -4.029 1.00 0.00 C ATOM 701 CG2 VAL A 48 -3.811 6.590 -2.775 1.00 0.00 C ATOM 0 H VAL A 48 -6.159 7.553 -4.515 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.510 6.757 -5.511 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.390 5.384 -3.545 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.475 3.912 -3.077 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.007 3.787 -4.771 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.546 4.717 -4.363 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.737 6.034 -1.840 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.819 6.928 -3.076 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.461 7.453 -2.633 1.00 0.00 H new ATOM 711 N ARG A 49 -4.262 4.873 -7.010 1.00 0.00 N ATOM 712 CA ARG A 49 -4.719 3.961 -8.052 1.00 0.00 C ATOM 713 C ARG A 49 -3.990 2.624 -7.962 1.00 0.00 C ATOM 714 O ARG A 49 -2.761 2.573 -7.982 1.00 0.00 O ATOM 715 CB ARG A 49 -4.500 4.581 -9.433 1.00 0.00 C ATOM 716 CG ARG A 49 -5.354 3.955 -10.524 1.00 0.00 C ATOM 717 CD ARG A 49 -5.576 4.919 -11.679 1.00 0.00 C ATOM 718 NE ARG A 49 -6.491 4.374 -12.678 1.00 0.00 N ATOM 719 CZ ARG A 49 -7.149 5.121 -13.557 1.00 0.00 C ATOM 720 NH1 ARG A 49 -6.994 6.438 -13.561 1.00 0.00 N ATOM 721 NH2 ARG A 49 -7.965 4.551 -14.436 1.00 0.00 N ATOM 0 H ARG A 49 -3.248 4.953 -6.934 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.785 3.785 -7.905 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.716 5.648 -9.381 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.449 4.482 -9.704 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.871 3.050 -10.892 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.316 3.656 -10.108 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.975 5.858 -11.296 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.620 5.147 -12.150 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.633 3.364 -12.702 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -6.368 6.880 -12.888 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -7.501 7.009 -14.237 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.087 3.538 -14.437 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -8.470 5.126 -15.111 1.00 0.00 H new ATOM 735 N MET A 50 -4.757 1.543 -7.863 1.00 0.00 N ATOM 736 CA MET A 50 -4.184 0.205 -7.771 1.00 0.00 C ATOM 737 C MET A 50 -4.568 -0.635 -8.984 1.00 0.00 C ATOM 738 O MET A 50 -5.748 -0.888 -9.229 1.00 0.00 O ATOM 739 CB MET A 50 -4.653 -0.486 -6.489 1.00 0.00 C ATOM 740 CG MET A 50 -3.914 -0.022 -5.244 1.00 0.00 C ATOM 741 SD MET A 50 -4.352 -0.979 -3.779 1.00 0.00 S ATOM 742 CE MET A 50 -6.007 -0.372 -3.460 1.00 0.00 C ATOM 0 H MET A 50 -5.777 1.567 -7.844 1.00 0.00 H new ATOM 0 HA MET A 50 -3.099 0.302 -7.747 1.00 0.00 H new ATOM 0 HB2 MET A 50 -5.720 -0.304 -6.357 1.00 0.00 H new ATOM 0 HB3 MET A 50 -4.524 -1.563 -6.598 1.00 0.00 H new ATOM 0 HG2 MET A 50 -2.840 -0.097 -5.415 1.00 0.00 H new ATOM 0 HG3 MET A 50 -4.136 1.030 -5.066 1.00 0.00 H new ATOM 0 HE1 MET A 50 -6.072 -0.016 -2.432 1.00 0.00 H new ATOM 0 HE2 MET A 50 -6.232 0.447 -4.143 1.00 0.00 H new ATOM 0 HE3 MET A 50 -6.725 -1.178 -3.611 1.00 0.00 H new ATOM 752 N TYR A 51 -3.564 -1.064 -9.742 1.00 0.00 N ATOM 753 CA TYR A 51 -3.797 -1.874 -10.932 1.00 0.00 C ATOM 754 C TYR A 51 -3.013 -3.181 -10.864 1.00 0.00 C ATOM 755 O TYR A 51 -1.789 -3.178 -10.726 1.00 0.00 O ATOM 756 CB TYR A 51 -3.405 -1.095 -12.189 1.00 0.00 C ATOM 757 CG TYR A 51 -4.549 -0.323 -12.804 1.00 0.00 C ATOM 758 CD1 TYR A 51 -5.416 0.421 -12.013 1.00 0.00 C ATOM 759 CD2 TYR A 51 -4.764 -0.337 -14.177 1.00 0.00 C ATOM 760 CE1 TYR A 51 -6.464 1.128 -12.571 1.00 0.00 C ATOM 761 CE2 TYR A 51 -5.808 0.368 -14.744 1.00 0.00 C ATOM 762 CZ TYR A 51 -6.655 1.099 -13.937 1.00 0.00 C ATOM 763 OH TYR A 51 -7.697 1.802 -14.497 1.00 0.00 O ATOM 0 H TYR A 51 -2.582 -0.864 -9.553 1.00 0.00 H new ATOM 0 HA TYR A 51 -4.860 -2.112 -10.977 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.602 -0.401 -11.941 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -3.008 -1.791 -12.928 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.268 0.447 -10.943 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -4.103 -0.909 -14.812 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.130 1.700 -11.941 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.960 0.347 -15.813 1.00 0.00 H new ATOM 0 HH TYR A 51 -7.691 1.677 -15.469 1.00 0.00 H new ATOM 773 N LEU A 52 -3.726 -4.297 -10.963 1.00 0.00 N ATOM 774 CA LEU A 52 -3.099 -5.613 -10.913 1.00 0.00 C ATOM 775 C LEU A 52 -2.375 -5.921 -12.220 1.00 0.00 C ATOM 776 O LEU A 52 -2.950 -6.510 -13.137 1.00 0.00 O ATOM 777 CB LEU A 52 -4.148 -6.690 -10.632 1.00 0.00 C ATOM 778 CG LEU A 52 -3.623 -8.004 -10.052 1.00 0.00 C ATOM 779 CD1 LEU A 52 -2.643 -7.734 -8.921 1.00 0.00 C ATOM 780 CD2 LEU A 52 -4.775 -8.871 -9.567 1.00 0.00 C ATOM 0 H LEU A 52 -4.739 -4.317 -11.078 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.367 -5.609 -10.105 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.885 -6.280 -9.941 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.672 -6.910 -11.562 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.097 -8.543 -10.840 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.280 -8.680 -8.520 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.802 -7.153 -9.299 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.144 -7.174 -8.131 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.383 -9.802 -9.158 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.330 -8.340 -8.794 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.439 -9.094 -10.402 1.00 0.00 H new ATOM 792 N LEU A 53 -1.111 -5.520 -12.299 1.00 0.00 N ATOM 793 CA LEU A 53 -0.307 -5.755 -13.493 1.00 0.00 C ATOM 794 C LEU A 53 -0.028 -7.243 -13.678 1.00 0.00 C ATOM 795 O LEU A 53 -0.007 -8.019 -12.723 1.00 0.00 O ATOM 796 CB LEU A 53 1.012 -4.984 -13.404 1.00 0.00 C ATOM 797 CG LEU A 53 0.907 -3.462 -13.495 1.00 0.00 C ATOM 798 CD1 LEU A 53 2.228 -2.812 -13.113 1.00 0.00 C ATOM 799 CD2 LEU A 53 0.488 -3.039 -14.896 1.00 0.00 C ATOM 0 H LEU A 53 -0.621 -5.031 -11.550 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.871 -5.400 -14.356 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.496 -5.239 -12.461 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.667 -5.331 -14.203 1.00 0.00 H new ATOM 0 HG LEU A 53 0.144 -3.127 -12.792 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.134 -1.728 -13.184 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.487 -3.088 -12.091 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.011 -3.153 -13.790 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.418 -1.952 -14.942 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.228 -3.386 -15.617 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.482 -3.475 -15.133 1.00 0.00 H new ATOM 811 N PRO A 54 0.194 -7.652 -14.936 1.00 0.00 N ATOM 812 CA PRO A 54 0.171 -6.737 -16.082 1.00 0.00 C ATOM 813 C PRO A 54 -1.233 -6.229 -16.390 1.00 0.00 C ATOM 814 O PRO A 54 -1.419 -5.065 -16.744 1.00 0.00 O ATOM 815 CB PRO A 54 0.693 -7.598 -17.234 1.00 0.00 C ATOM 816 CG PRO A 54 0.372 -8.998 -16.837 1.00 0.00 C ATOM 817 CD PRO A 54 0.483 -9.039 -15.338 1.00 0.00 C ATOM 0 HA PRO A 54 0.764 -5.841 -15.900 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.212 -7.333 -18.176 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.765 -7.463 -17.375 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.631 -9.276 -17.162 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.063 -9.703 -17.299 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -0.228 -9.740 -14.902 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.477 -9.352 -15.017 1.00 0.00 H new ATOM 825 N ASP A 55 -2.219 -7.109 -16.253 1.00 0.00 N ATOM 826 CA ASP A 55 -3.607 -6.750 -16.516 1.00 0.00 C ATOM 827 C ASP A 55 -3.878 -5.301 -16.120 1.00 0.00 C ATOM 828 O ASP A 55 -3.821 -4.947 -14.942 1.00 0.00 O ATOM 829 CB ASP A 55 -4.551 -7.684 -15.757 1.00 0.00 C ATOM 830 CG ASP A 55 -6.005 -7.281 -15.902 1.00 0.00 C ATOM 831 OD1 ASP A 55 -6.652 -7.731 -16.871 1.00 0.00 O ATOM 832 OD2 ASP A 55 -6.497 -6.516 -15.046 1.00 0.00 O ATOM 0 H ASP A 55 -2.082 -8.077 -15.961 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.787 -6.856 -17.586 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.421 -8.703 -16.123 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.282 -7.688 -14.701 1.00 0.00 H new ATOM 837 N LYS A 56 -4.171 -4.467 -17.111 1.00 0.00 N ATOM 838 CA LYS A 56 -4.451 -3.057 -16.868 1.00 0.00 C ATOM 839 C LYS A 56 -5.886 -2.712 -17.253 1.00 0.00 C ATOM 840 O LYS A 56 -6.348 -1.594 -17.025 1.00 0.00 O ATOM 841 CB LYS A 56 -3.475 -2.179 -17.656 1.00 0.00 C ATOM 842 CG LYS A 56 -2.073 -2.155 -17.073 1.00 0.00 C ATOM 843 CD LYS A 56 -1.375 -0.835 -17.356 1.00 0.00 C ATOM 844 CE LYS A 56 -1.056 -0.679 -18.835 1.00 0.00 C ATOM 845 NZ LYS A 56 -0.297 0.573 -19.110 1.00 0.00 N ATOM 0 H LYS A 56 -4.221 -4.743 -18.092 1.00 0.00 H new ATOM 0 HA LYS A 56 -4.324 -2.866 -15.802 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.426 -2.537 -18.684 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.862 -1.161 -17.691 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.123 -2.318 -15.996 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.489 -2.974 -17.493 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.009 -0.010 -17.030 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.454 -0.778 -16.776 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.476 -1.537 -19.174 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.983 -0.675 -19.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.099 0.642 -20.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.861 1.394 -18.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.600 0.558 -18.583 1.00 0.00 H new ATOM 859 N ARG A 57 -6.586 -3.680 -17.835 1.00 0.00 N ATOM 860 CA ARG A 57 -7.969 -3.479 -18.251 1.00 0.00 C ATOM 861 C ARG A 57 -8.762 -2.755 -17.167 1.00 0.00 C ATOM 862 O ARG A 57 -8.297 -2.607 -16.037 1.00 0.00 O ATOM 863 CB ARG A 57 -8.628 -4.821 -18.571 1.00 0.00 C ATOM 864 CG ARG A 57 -8.477 -5.244 -20.023 1.00 0.00 C ATOM 865 CD ARG A 57 -7.204 -6.049 -20.238 1.00 0.00 C ATOM 866 NE ARG A 57 -6.720 -5.949 -21.612 1.00 0.00 N ATOM 867 CZ ARG A 57 -5.581 -6.490 -22.031 1.00 0.00 C ATOM 868 NH1 ARG A 57 -4.814 -7.166 -21.187 1.00 0.00 N ATOM 869 NH2 ARG A 57 -5.207 -6.355 -23.297 1.00 0.00 N ATOM 0 H ARG A 57 -6.218 -4.611 -18.029 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.966 -2.861 -19.149 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.196 -5.590 -17.931 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.689 -4.762 -18.327 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -9.340 -5.839 -20.322 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.463 -4.360 -20.661 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.432 -5.696 -19.555 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.391 -7.095 -19.994 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.287 -5.436 -22.287 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -5.098 -7.272 -20.213 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.940 -7.580 -21.512 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -5.794 -5.835 -23.950 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.332 -6.771 -23.618 1.00 0.00 H new ATOM 883 N ARG A 58 -9.962 -2.305 -17.521 1.00 0.00 N ATOM 884 CA ARG A 58 -10.820 -1.595 -16.579 1.00 0.00 C ATOM 885 C ARG A 58 -11.515 -2.571 -15.634 1.00 0.00 C ATOM 886 O ARG A 58 -11.996 -2.184 -14.570 1.00 0.00 O ATOM 887 CB ARG A 58 -11.863 -0.766 -17.331 1.00 0.00 C ATOM 888 CG ARG A 58 -12.285 0.494 -16.595 1.00 0.00 C ATOM 889 CD ARG A 58 -13.477 0.236 -15.687 1.00 0.00 C ATOM 890 NE ARG A 58 -14.507 -0.561 -16.348 1.00 0.00 N ATOM 891 CZ ARG A 58 -15.470 -1.204 -15.698 1.00 0.00 C ATOM 892 NH1 ARG A 58 -15.535 -1.144 -14.375 1.00 0.00 N ATOM 893 NH2 ARG A 58 -16.370 -1.909 -16.370 1.00 0.00 N ATOM 0 H ARG A 58 -10.362 -2.419 -18.452 1.00 0.00 H new ATOM 0 HA ARG A 58 -10.193 -0.928 -15.987 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -11.461 -0.490 -18.306 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -12.743 -1.383 -17.512 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -11.450 0.868 -16.003 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -12.537 1.271 -17.317 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -13.142 -0.279 -14.787 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.903 1.188 -15.369 1.00 0.00 H new ATOM 0 HE ARG A 58 -14.485 -0.627 -17.366 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -14.844 -0.603 -13.854 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -16.276 -1.639 -13.878 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -16.323 -1.958 -17.388 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -17.109 -2.402 -15.869 1.00 0.00 H new ATOM 907 N SER A 59 -11.563 -3.839 -16.032 1.00 0.00 N ATOM 908 CA SER A 59 -12.203 -4.870 -15.223 1.00 0.00 C ATOM 909 C SER A 59 -11.535 -4.980 -13.856 1.00 0.00 C ATOM 910 O SER A 59 -12.143 -5.442 -12.891 1.00 0.00 O ATOM 911 CB SER A 59 -12.147 -6.219 -15.941 1.00 0.00 C ATOM 912 OG SER A 59 -12.597 -7.265 -15.098 1.00 0.00 O ATOM 0 H SER A 59 -11.167 -4.176 -16.909 1.00 0.00 H new ATOM 0 HA SER A 59 -13.246 -4.588 -15.077 1.00 0.00 H new ATOM 0 HB2 SER A 59 -12.763 -6.182 -16.840 1.00 0.00 H new ATOM 0 HB3 SER A 59 -11.125 -6.421 -16.263 1.00 0.00 H new ATOM 0 HG SER A 59 -12.553 -8.116 -15.581 1.00 0.00 H new ATOM 918 N GLY A 60 -10.278 -4.552 -13.782 1.00 0.00 N ATOM 919 CA GLY A 60 -9.547 -4.611 -12.530 1.00 0.00 C ATOM 920 C GLY A 60 -9.268 -3.236 -11.956 1.00 0.00 C ATOM 921 O GLY A 60 -8.465 -3.092 -11.034 1.00 0.00 O ATOM 0 H GLY A 60 -9.753 -4.166 -14.567 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -10.117 -5.194 -11.807 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.604 -5.134 -12.688 1.00 0.00 H new ATOM 925 N ARG A 61 -9.930 -2.222 -12.504 1.00 0.00 N ATOM 926 CA ARG A 61 -9.747 -0.851 -12.043 1.00 0.00 C ATOM 927 C ARG A 61 -10.161 -0.709 -10.581 1.00 0.00 C ATOM 928 O ARG A 61 -11.330 -0.884 -10.238 1.00 0.00 O ATOM 929 CB ARG A 61 -10.557 0.114 -12.910 1.00 0.00 C ATOM 930 CG ARG A 61 -10.141 1.568 -12.755 1.00 0.00 C ATOM 931 CD ARG A 61 -10.837 2.223 -11.572 1.00 0.00 C ATOM 932 NE ARG A 61 -12.165 2.718 -11.924 1.00 0.00 N ATOM 933 CZ ARG A 61 -13.280 2.019 -11.747 1.00 0.00 C ATOM 934 NH1 ARG A 61 -13.228 0.801 -11.225 1.00 0.00 N ATOM 935 NH2 ARG A 61 -14.452 2.538 -12.092 1.00 0.00 N ATOM 0 H ARG A 61 -10.598 -2.324 -13.268 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.689 -0.604 -12.129 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -10.453 -0.175 -13.956 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.613 0.018 -12.657 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -9.061 1.626 -12.621 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -10.379 2.115 -13.667 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -10.922 1.503 -10.758 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -10.228 3.049 -11.205 1.00 0.00 H new ATOM 0 HE ARG A 61 -12.240 3.652 -12.328 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.330 0.398 -10.958 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -14.086 0.267 -11.090 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -14.497 3.475 -12.494 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -15.308 2.000 -11.956 1.00 0.00 H new ATOM 949 N ARG A 62 -9.196 -0.390 -9.726 1.00 0.00 N ATOM 950 CA ARG A 62 -9.460 -0.226 -8.302 1.00 0.00 C ATOM 951 C ARG A 62 -8.732 0.997 -7.751 1.00 0.00 C ATOM 952 O ARG A 62 -7.503 1.034 -7.707 1.00 0.00 O ATOM 953 CB ARG A 62 -9.029 -1.478 -7.534 1.00 0.00 C ATOM 954 CG ARG A 62 -9.713 -1.630 -6.185 1.00 0.00 C ATOM 955 CD ARG A 62 -11.168 -2.042 -6.341 1.00 0.00 C ATOM 956 NE ARG A 62 -12.048 -0.891 -6.522 1.00 0.00 N ATOM 957 CZ ARG A 62 -13.300 -0.983 -6.956 1.00 0.00 C ATOM 958 NH1 ARG A 62 -13.817 -2.167 -7.250 1.00 0.00 N ATOM 959 NH2 ARG A 62 -14.037 0.111 -7.094 1.00 0.00 N ATOM 0 H ARG A 62 -8.224 -0.240 -9.995 1.00 0.00 H new ATOM 0 HA ARG A 62 -10.532 -0.079 -8.172 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -9.242 -2.358 -8.141 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.950 -1.448 -7.384 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.185 -2.375 -5.590 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -9.657 -0.688 -5.639 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -11.265 -2.710 -7.196 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -11.482 -2.603 -5.461 1.00 0.00 H new ATOM 0 HE ARG A 62 -11.681 0.035 -6.303 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -13.253 -3.010 -7.143 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -14.779 -2.235 -7.583 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -13.642 1.024 -6.867 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -14.998 0.040 -7.427 1.00 0.00 H new ATOM 973 N LYS A 63 -9.501 1.997 -7.332 1.00 0.00 N ATOM 974 CA LYS A 63 -8.931 3.222 -6.783 1.00 0.00 C ATOM 975 C LYS A 63 -9.818 3.787 -5.678 1.00 0.00 C ATOM 976 O LYS A 63 -10.980 3.403 -5.543 1.00 0.00 O ATOM 977 CB LYS A 63 -8.750 4.264 -7.889 1.00 0.00 C ATOM 978 CG LYS A 63 -10.060 4.785 -8.454 1.00 0.00 C ATOM 979 CD LYS A 63 -9.829 5.689 -9.654 1.00 0.00 C ATOM 980 CE LYS A 63 -11.039 6.569 -9.930 1.00 0.00 C ATOM 981 NZ LYS A 63 -12.098 5.837 -10.679 1.00 0.00 N ATOM 0 H LYS A 63 -10.520 1.983 -7.362 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.958 2.981 -6.356 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.174 5.102 -7.496 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.164 3.826 -8.697 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.691 3.945 -8.746 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.598 5.335 -7.681 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.955 6.316 -9.476 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.612 5.081 -10.532 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -11.447 6.932 -8.987 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.729 7.444 -10.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.905 6.471 -10.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.717 5.512 -11.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.412 5.016 -10.123 1.00 0.00 H new ATOM 995 N THR A 64 -9.263 4.702 -4.890 1.00 0.00 N ATOM 996 CA THR A 64 -10.003 5.319 -3.797 1.00 0.00 C ATOM 997 C THR A 64 -10.563 6.676 -4.210 1.00 0.00 C ATOM 998 O THR A 64 -10.296 7.160 -5.310 1.00 0.00 O ATOM 999 CB THR A 64 -9.117 5.500 -2.550 1.00 0.00 C ATOM 1000 OG1 THR A 64 -8.252 6.628 -2.723 1.00 0.00 O ATOM 1001 CG2 THR A 64 -8.286 4.253 -2.291 1.00 0.00 C ATOM 0 H THR A 64 -8.303 5.032 -4.989 1.00 0.00 H new ATOM 0 HA THR A 64 -10.826 4.647 -3.554 1.00 0.00 H new ATOM 0 HB THR A 64 -9.767 5.669 -1.691 1.00 0.00 H new ATOM 0 HG1 THR A 64 -8.195 7.129 -1.882 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.669 4.405 -1.406 1.00 0.00 H new ATOM 0 HG22 THR A 64 -8.948 3.402 -2.131 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.645 4.058 -3.151 1.00 0.00 H new ATOM 1009 N HIS A 65 -11.340 7.285 -3.320 1.00 0.00 N ATOM 1010 CA HIS A 65 -11.937 8.588 -3.593 1.00 0.00 C ATOM 1011 C HIS A 65 -10.862 9.621 -3.916 1.00 0.00 C ATOM 1012 O HIS A 65 -9.675 9.389 -3.690 1.00 0.00 O ATOM 1013 CB HIS A 65 -12.765 9.054 -2.394 1.00 0.00 C ATOM 1014 CG HIS A 65 -13.450 10.367 -2.614 1.00 0.00 C ATOM 1015 ND1 HIS A 65 -14.470 10.541 -3.526 1.00 0.00 N ATOM 1016 CD2 HIS A 65 -13.259 11.574 -2.032 1.00 0.00 C ATOM 1017 CE1 HIS A 65 -14.875 11.798 -3.497 1.00 0.00 C ATOM 1018 NE2 HIS A 65 -14.156 12.446 -2.599 1.00 0.00 N ATOM 0 H HIS A 65 -11.571 6.898 -2.405 1.00 0.00 H new ATOM 0 HA HIS A 65 -12.591 8.487 -4.459 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -13.514 8.297 -2.164 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -12.115 9.134 -1.523 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -12.536 11.808 -1.265 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -15.660 12.223 -4.104 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -14.251 13.434 -2.364 1.00 0.00 H new ATOM 1026 N VAL A 66 -11.287 10.763 -4.448 1.00 0.00 N ATOM 1027 CA VAL A 66 -10.361 11.832 -4.803 1.00 0.00 C ATOM 1028 C VAL A 66 -10.539 13.040 -3.889 1.00 0.00 C ATOM 1029 O VAL A 66 -11.448 13.847 -4.081 1.00 0.00 O ATOM 1030 CB VAL A 66 -10.550 12.277 -6.265 1.00 0.00 C ATOM 1031 CG1 VAL A 66 -9.894 13.628 -6.502 1.00 0.00 C ATOM 1032 CG2 VAL A 66 -9.991 11.229 -7.216 1.00 0.00 C ATOM 0 H VAL A 66 -12.266 10.971 -4.642 1.00 0.00 H new ATOM 0 HA VAL A 66 -9.355 11.432 -4.680 1.00 0.00 H new ATOM 0 HB VAL A 66 -11.617 12.380 -6.460 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -10.038 13.925 -7.541 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -10.345 14.372 -5.846 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -8.827 13.557 -6.290 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -10.133 11.559 -8.245 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -8.927 11.092 -7.022 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -10.512 10.284 -7.063 1.00 0.00 H new ATOM 1042 N SER A 67 -9.665 13.156 -2.894 1.00 0.00 N ATOM 1043 CA SER A 67 -9.728 14.264 -1.948 1.00 0.00 C ATOM 1044 C SER A 67 -9.426 15.589 -2.641 1.00 0.00 C ATOM 1045 O SER A 67 -8.574 15.660 -3.527 1.00 0.00 O ATOM 1046 CB SER A 67 -8.740 14.039 -0.801 1.00 0.00 C ATOM 1047 OG SER A 67 -8.950 12.779 -0.187 1.00 0.00 O ATOM 0 H SER A 67 -8.906 12.497 -2.722 1.00 0.00 H new ATOM 0 HA SER A 67 -10.740 14.308 -1.545 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.719 14.097 -1.179 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.851 14.831 -0.060 1.00 0.00 H new ATOM 0 HG SER A 67 -8.305 12.659 0.541 1.00 0.00 H new ATOM 1053 N LYS A 68 -10.132 16.638 -2.232 1.00 0.00 N ATOM 1054 CA LYS A 68 -9.941 17.962 -2.811 1.00 0.00 C ATOM 1055 C LYS A 68 -9.449 18.951 -1.759 1.00 0.00 C ATOM 1056 O LYS A 68 -9.690 18.773 -0.565 1.00 0.00 O ATOM 1057 CB LYS A 68 -11.249 18.465 -3.427 1.00 0.00 C ATOM 1058 CG LYS A 68 -11.784 17.572 -4.533 1.00 0.00 C ATOM 1059 CD LYS A 68 -12.553 18.370 -5.572 1.00 0.00 C ATOM 1060 CE LYS A 68 -11.639 18.863 -6.683 1.00 0.00 C ATOM 1061 NZ LYS A 68 -12.405 19.249 -7.901 1.00 0.00 N ATOM 0 H LYS A 68 -10.842 16.596 -1.501 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.185 17.884 -3.592 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.002 18.548 -2.643 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.091 19.467 -3.825 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.956 17.051 -5.013 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.434 16.810 -4.104 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -13.343 17.751 -5.997 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -13.038 19.221 -5.093 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.065 19.719 -6.328 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -10.922 18.082 -6.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -11.746 19.579 -8.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -12.933 18.426 -8.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -13.071 20.012 -7.665 1.00 0.00 H new ATOM 1075 N LYS A 69 -8.760 19.993 -2.209 1.00 0.00 N ATOM 1076 CA LYS A 69 -8.236 21.012 -1.308 1.00 0.00 C ATOM 1077 C LYS A 69 -7.549 20.373 -0.105 1.00 0.00 C ATOM 1078 O LYS A 69 -7.874 20.677 1.043 1.00 0.00 O ATOM 1079 CB LYS A 69 -9.364 21.932 -0.834 1.00 0.00 C ATOM 1080 CG LYS A 69 -9.644 23.087 -1.781 1.00 0.00 C ATOM 1081 CD LYS A 69 -10.444 22.635 -2.991 1.00 0.00 C ATOM 1082 CE LYS A 69 -10.830 23.810 -3.875 1.00 0.00 C ATOM 1083 NZ LYS A 69 -11.977 23.482 -4.766 1.00 0.00 N ATOM 0 H LYS A 69 -8.551 20.154 -3.194 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.500 21.601 -1.855 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.274 21.344 -0.712 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.108 22.331 0.147 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.192 23.867 -1.253 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.702 23.526 -2.110 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -9.858 21.920 -3.569 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.344 22.116 -2.660 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.089 24.665 -3.250 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.973 24.106 -4.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.209 24.309 -5.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.722 22.683 -5.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.803 23.225 -4.188 1.00 0.00 H new ATOM 1097 N THR A 70 -6.595 19.487 -0.376 1.00 0.00 N ATOM 1098 CA THR A 70 -5.862 18.806 0.684 1.00 0.00 C ATOM 1099 C THR A 70 -4.576 18.186 0.151 1.00 0.00 C ATOM 1100 O THR A 70 -4.501 17.790 -1.014 1.00 0.00 O ATOM 1101 CB THR A 70 -6.716 17.705 1.340 1.00 0.00 C ATOM 1102 OG1 THR A 70 -6.015 17.138 2.452 1.00 0.00 O ATOM 1103 CG2 THR A 70 -7.054 16.612 0.336 1.00 0.00 C ATOM 0 H THR A 70 -6.312 19.225 -1.320 1.00 0.00 H new ATOM 0 HA THR A 70 -5.616 19.559 1.433 1.00 0.00 H new ATOM 0 HB THR A 70 -7.645 18.156 1.689 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.566 16.440 2.864 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.658 15.845 0.822 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.613 17.042 -0.495 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.133 16.165 -0.039 1.00 0.00 H new ATOM 1111 N LEU A 71 -3.565 18.102 1.009 1.00 0.00 N ATOM 1112 CA LEU A 71 -2.280 17.528 0.624 1.00 0.00 C ATOM 1113 C LEU A 71 -2.078 16.163 1.273 1.00 0.00 C ATOM 1114 O LEU A 71 -1.453 15.276 0.693 1.00 0.00 O ATOM 1115 CB LEU A 71 -1.140 18.468 1.020 1.00 0.00 C ATOM 1116 CG LEU A 71 -1.095 19.812 0.292 1.00 0.00 C ATOM 1117 CD1 LEU A 71 0.168 20.575 0.659 1.00 0.00 C ATOM 1118 CD2 LEU A 71 -1.177 19.606 -1.213 1.00 0.00 C ATOM 0 H LEU A 71 -3.610 18.424 1.976 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.277 17.399 -0.458 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.209 18.660 2.091 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.195 17.953 0.849 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.956 20.402 0.605 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.183 21.529 0.132 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.185 20.754 1.734 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.042 19.989 0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.144 20.573 -1.715 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.336 18.997 -1.543 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.110 19.101 -1.461 1.00 0.00 H new ATOM 1130 N ASN A 72 -2.612 16.001 2.479 1.00 0.00 N ATOM 1131 CA ASN A 72 -2.491 14.743 3.206 1.00 0.00 C ATOM 1132 C ASN A 72 -3.824 14.000 3.234 1.00 0.00 C ATOM 1133 O ASN A 72 -4.525 13.970 4.246 1.00 0.00 O ATOM 1134 CB ASN A 72 -2.008 15.000 4.635 1.00 0.00 C ATOM 1135 CG ASN A 72 -2.582 16.277 5.219 1.00 0.00 C ATOM 1136 OD1 ASN A 72 -3.724 16.642 4.939 1.00 0.00 O ATOM 1137 ND2 ASN A 72 -1.790 16.963 6.034 1.00 0.00 N ATOM 0 H ASN A 72 -3.133 16.725 2.973 1.00 0.00 H new ATOM 0 HA ASN A 72 -1.760 14.122 2.688 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.287 14.157 5.267 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -0.920 15.057 4.643 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -2.121 17.830 6.456 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -0.850 16.623 6.238 1.00 0.00 H new ATOM 1144 N PRO A 73 -4.183 13.386 2.097 1.00 0.00 N ATOM 1145 CA PRO A 73 -5.433 12.631 1.965 1.00 0.00 C ATOM 1146 C PRO A 73 -5.417 11.339 2.774 1.00 0.00 C ATOM 1147 O PRO A 73 -4.358 10.761 3.019 1.00 0.00 O ATOM 1148 CB PRO A 73 -5.506 12.325 0.468 1.00 0.00 C ATOM 1149 CG PRO A 73 -4.089 12.349 0.007 1.00 0.00 C ATOM 1150 CD PRO A 73 -3.396 13.381 0.852 1.00 0.00 C ATOM 0 HA PRO A 73 -6.289 13.191 2.341 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.966 11.354 0.284 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -6.106 13.067 -0.059 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.623 11.371 0.126 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -4.027 12.605 -1.051 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.355 13.117 1.036 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -3.397 14.360 0.372 1.00 0.00 H new ATOM 1158 N VAL A 74 -6.598 10.889 3.186 1.00 0.00 N ATOM 1159 CA VAL A 74 -6.720 9.663 3.965 1.00 0.00 C ATOM 1160 C VAL A 74 -8.028 8.943 3.656 1.00 0.00 C ATOM 1161 O VAL A 74 -9.113 9.492 3.851 1.00 0.00 O ATOM 1162 CB VAL A 74 -6.650 9.950 5.477 1.00 0.00 C ATOM 1163 CG1 VAL A 74 -7.590 11.086 5.849 1.00 0.00 C ATOM 1164 CG2 VAL A 74 -6.974 8.695 6.273 1.00 0.00 C ATOM 0 H VAL A 74 -7.484 11.356 2.993 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.882 9.025 3.684 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.634 10.256 5.725 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.527 11.274 6.921 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.306 11.987 5.305 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -8.612 10.812 5.588 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.920 8.916 7.339 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -7.979 8.355 6.024 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.255 7.913 6.028 1.00 0.00 H new ATOM 1174 N PHE A 75 -7.918 7.710 3.173 1.00 0.00 N ATOM 1175 CA PHE A 75 -9.093 6.914 2.836 1.00 0.00 C ATOM 1176 C PHE A 75 -9.255 5.747 3.806 1.00 0.00 C ATOM 1177 O PHE A 75 -10.373 5.332 4.113 1.00 0.00 O ATOM 1178 CB PHE A 75 -8.985 6.389 1.403 1.00 0.00 C ATOM 1179 CG PHE A 75 -8.254 7.319 0.477 1.00 0.00 C ATOM 1180 CD1 PHE A 75 -6.878 7.240 0.339 1.00 0.00 C ATOM 1181 CD2 PHE A 75 -8.944 8.271 -0.255 1.00 0.00 C ATOM 1182 CE1 PHE A 75 -6.203 8.095 -0.511 1.00 0.00 C ATOM 1183 CE2 PHE A 75 -8.274 9.129 -1.108 1.00 0.00 C ATOM 1184 CZ PHE A 75 -6.902 9.040 -1.237 1.00 0.00 C ATOM 0 H PHE A 75 -7.028 7.240 3.006 1.00 0.00 H new ATOM 0 HA PHE A 75 -9.971 7.555 2.916 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.475 5.426 1.415 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -9.987 6.214 1.012 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.326 6.502 0.902 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -10.017 8.344 -0.159 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -5.130 8.025 -0.608 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -8.823 9.868 -1.673 1.00 0.00 H new ATOM 0 HZ PHE A 75 -6.377 9.708 -1.904 1.00 0.00 H new ATOM 1194 N ASP A 76 -8.132 5.223 4.285 1.00 0.00 N ATOM 1195 CA ASP A 76 -8.149 4.105 5.221 1.00 0.00 C ATOM 1196 C ASP A 76 -9.094 3.008 4.741 1.00 0.00 C ATOM 1197 O ASP A 76 -9.808 2.399 5.537 1.00 0.00 O ATOM 1198 CB ASP A 76 -8.567 4.582 6.613 1.00 0.00 C ATOM 1199 CG ASP A 76 -9.706 5.582 6.564 1.00 0.00 C ATOM 1200 OD1 ASP A 76 -10.877 5.151 6.607 1.00 0.00 O ATOM 1201 OD2 ASP A 76 -9.425 6.796 6.483 1.00 0.00 O ATOM 0 H ASP A 76 -7.199 5.554 4.041 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.141 3.694 5.274 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -8.867 3.723 7.213 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.710 5.036 7.111 1.00 0.00 H new ATOM 1206 N GLN A 77 -9.094 2.764 3.434 1.00 0.00 N ATOM 1207 CA GLN A 77 -9.954 1.743 2.848 1.00 0.00 C ATOM 1208 C GLN A 77 -9.187 0.442 2.637 1.00 0.00 C ATOM 1209 O GLN A 77 -7.997 0.456 2.322 1.00 0.00 O ATOM 1210 CB GLN A 77 -10.529 2.231 1.518 1.00 0.00 C ATOM 1211 CG GLN A 77 -11.772 3.093 1.673 1.00 0.00 C ATOM 1212 CD GLN A 77 -12.027 3.973 0.464 1.00 0.00 C ATOM 1213 OE1 GLN A 77 -11.974 5.200 0.553 1.00 0.00 O ATOM 1214 NE2 GLN A 77 -12.304 3.349 -0.674 1.00 0.00 N ATOM 0 H GLN A 77 -8.508 3.259 2.762 1.00 0.00 H new ATOM 0 HA GLN A 77 -10.773 1.553 3.541 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -9.765 2.801 0.989 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -10.770 1.368 0.897 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -12.637 2.450 1.839 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -11.667 3.720 2.558 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -12.337 2.330 -0.702 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -12.483 3.888 -1.521 1.00 0.00 H new ATOM 1223 N SER A 78 -9.876 -0.681 2.811 1.00 0.00 N ATOM 1224 CA SER A 78 -9.258 -1.991 2.643 1.00 0.00 C ATOM 1225 C SER A 78 -9.856 -2.725 1.447 1.00 0.00 C ATOM 1226 O SER A 78 -11.029 -3.098 1.455 1.00 0.00 O ATOM 1227 CB SER A 78 -9.437 -2.829 3.911 1.00 0.00 C ATOM 1228 OG SER A 78 -8.922 -4.138 3.734 1.00 0.00 O ATOM 0 H SER A 78 -10.863 -0.710 3.068 1.00 0.00 H new ATOM 0 HA SER A 78 -8.194 -1.842 2.461 1.00 0.00 H new ATOM 0 HB2 SER A 78 -8.930 -2.345 4.745 1.00 0.00 H new ATOM 0 HB3 SER A 78 -10.495 -2.883 4.169 1.00 0.00 H new ATOM 0 HG SER A 78 -9.047 -4.653 4.558 1.00 0.00 H new ATOM 1234 N PHE A 79 -9.040 -2.927 0.417 1.00 0.00 N ATOM 1235 CA PHE A 79 -9.487 -3.615 -0.789 1.00 0.00 C ATOM 1236 C PHE A 79 -9.103 -5.091 -0.747 1.00 0.00 C ATOM 1237 O PHE A 79 -8.349 -5.523 0.125 1.00 0.00 O ATOM 1238 CB PHE A 79 -8.885 -2.955 -2.031 1.00 0.00 C ATOM 1239 CG PHE A 79 -9.254 -1.506 -2.178 1.00 0.00 C ATOM 1240 CD1 PHE A 79 -8.721 -0.551 -1.328 1.00 0.00 C ATOM 1241 CD2 PHE A 79 -10.135 -1.100 -3.168 1.00 0.00 C ATOM 1242 CE1 PHE A 79 -9.060 0.782 -1.461 1.00 0.00 C ATOM 1243 CE2 PHE A 79 -10.477 0.232 -3.306 1.00 0.00 C ATOM 1244 CZ PHE A 79 -9.938 1.174 -2.452 1.00 0.00 C ATOM 0 H PHE A 79 -8.066 -2.624 0.393 1.00 0.00 H new ATOM 0 HA PHE A 79 -10.573 -3.542 -0.838 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -7.799 -3.043 -1.989 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -9.215 -3.497 -2.917 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -8.032 -0.852 -0.552 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -10.559 -1.833 -3.839 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.639 1.516 -0.791 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -11.165 0.536 -4.081 1.00 0.00 H new ATOM 0 HZ PHE A 79 -10.203 2.216 -2.559 1.00 0.00 H new ATOM 1254 N ASP A 80 -9.628 -5.859 -1.695 1.00 0.00 N ATOM 1255 CA ASP A 80 -9.341 -7.287 -1.768 1.00 0.00 C ATOM 1256 C ASP A 80 -9.485 -7.798 -3.198 1.00 0.00 C ATOM 1257 O ASP A 80 -10.362 -7.356 -3.941 1.00 0.00 O ATOM 1258 CB ASP A 80 -10.273 -8.065 -0.839 1.00 0.00 C ATOM 1259 CG ASP A 80 -11.626 -7.397 -0.685 1.00 0.00 C ATOM 1260 OD1 ASP A 80 -12.411 -7.416 -1.656 1.00 0.00 O ATOM 1261 OD2 ASP A 80 -11.899 -6.857 0.407 1.00 0.00 O ATOM 0 H ASP A 80 -10.255 -5.517 -2.424 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.311 -7.442 -1.448 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.411 -9.073 -1.229 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -9.806 -8.163 0.141 1.00 0.00 H new ATOM 1266 N PHE A 81 -8.619 -8.731 -3.578 1.00 0.00 N ATOM 1267 CA PHE A 81 -8.649 -9.301 -4.920 1.00 0.00 C ATOM 1268 C PHE A 81 -8.457 -10.814 -4.873 1.00 0.00 C ATOM 1269 O PHE A 81 -7.498 -11.311 -4.283 1.00 0.00 O ATOM 1270 CB PHE A 81 -7.563 -8.665 -5.792 1.00 0.00 C ATOM 1271 CG PHE A 81 -7.497 -7.170 -5.670 1.00 0.00 C ATOM 1272 CD1 PHE A 81 -8.474 -6.371 -6.240 1.00 0.00 C ATOM 1273 CD2 PHE A 81 -6.456 -6.563 -4.986 1.00 0.00 C ATOM 1274 CE1 PHE A 81 -8.416 -4.994 -6.130 1.00 0.00 C ATOM 1275 CE2 PHE A 81 -6.392 -5.187 -4.872 1.00 0.00 C ATOM 1276 CZ PHE A 81 -7.373 -4.402 -5.445 1.00 0.00 C ATOM 0 H PHE A 81 -7.888 -9.109 -2.976 1.00 0.00 H new ATOM 0 HA PHE A 81 -9.626 -9.089 -5.355 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.596 -9.087 -5.519 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.744 -8.929 -6.834 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -9.291 -6.829 -6.777 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -5.686 -7.172 -4.537 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -9.185 -4.383 -6.579 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -5.576 -4.726 -4.335 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.325 -3.327 -5.358 1.00 0.00 H new ATOM 1286 N SER A 82 -9.378 -11.541 -5.499 1.00 0.00 N ATOM 1287 CA SER A 82 -9.314 -12.998 -5.525 1.00 0.00 C ATOM 1288 C SER A 82 -8.225 -13.476 -6.480 1.00 0.00 C ATOM 1289 O SER A 82 -8.473 -13.687 -7.667 1.00 0.00 O ATOM 1290 CB SER A 82 -10.666 -13.581 -5.941 1.00 0.00 C ATOM 1291 OG SER A 82 -11.067 -13.086 -7.206 1.00 0.00 O ATOM 0 H SER A 82 -10.177 -11.145 -5.995 1.00 0.00 H new ATOM 0 HA SER A 82 -9.070 -13.345 -4.521 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.601 -14.668 -5.976 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.419 -13.331 -5.194 1.00 0.00 H new ATOM 0 HG SER A 82 -10.321 -13.159 -7.837 1.00 0.00 H new ATOM 1297 N VAL A 83 -7.017 -13.646 -5.953 1.00 0.00 N ATOM 1298 CA VAL A 83 -5.888 -14.101 -6.756 1.00 0.00 C ATOM 1299 C VAL A 83 -4.979 -15.026 -5.954 1.00 0.00 C ATOM 1300 O VAL A 83 -4.646 -14.740 -4.804 1.00 0.00 O ATOM 1301 CB VAL A 83 -5.060 -12.915 -7.283 1.00 0.00 C ATOM 1302 CG1 VAL A 83 -4.716 -11.959 -6.151 1.00 0.00 C ATOM 1303 CG2 VAL A 83 -3.799 -13.411 -7.975 1.00 0.00 C ATOM 0 H VAL A 83 -6.795 -13.475 -4.972 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.303 -14.649 -7.602 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.659 -12.373 -8.015 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.131 -11.127 -6.543 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.635 -11.578 -5.705 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.136 -12.486 -5.393 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.226 -12.559 -8.341 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.194 -13.978 -7.267 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.072 -14.052 -8.813 1.00 0.00 H new ATOM 1313 N SER A 84 -4.581 -16.134 -6.569 1.00 0.00 N ATOM 1314 CA SER A 84 -3.712 -17.103 -5.911 1.00 0.00 C ATOM 1315 C SER A 84 -2.281 -16.581 -5.828 1.00 0.00 C ATOM 1316 O SER A 84 -1.824 -15.846 -6.704 1.00 0.00 O ATOM 1317 CB SER A 84 -3.738 -18.436 -6.662 1.00 0.00 C ATOM 1318 OG SER A 84 -5.040 -18.727 -7.139 1.00 0.00 O ATOM 0 H SER A 84 -4.846 -16.384 -7.522 1.00 0.00 H new ATOM 0 HA SER A 84 -4.083 -17.258 -4.898 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.040 -18.399 -7.499 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.402 -19.236 -6.002 1.00 0.00 H new ATOM 0 HG SER A 84 -5.030 -19.583 -7.617 1.00 0.00 H new ATOM 1324 N LEU A 85 -1.578 -16.967 -4.769 1.00 0.00 N ATOM 1325 CA LEU A 85 -0.198 -16.538 -4.569 1.00 0.00 C ATOM 1326 C LEU A 85 0.647 -16.829 -5.805 1.00 0.00 C ATOM 1327 O LEU A 85 1.432 -15.997 -6.260 1.00 0.00 O ATOM 1328 CB LEU A 85 0.403 -17.240 -3.350 1.00 0.00 C ATOM 1329 CG LEU A 85 1.929 -17.334 -3.314 1.00 0.00 C ATOM 1330 CD1 LEU A 85 2.533 -16.031 -2.815 1.00 0.00 C ATOM 1331 CD2 LEU A 85 2.371 -18.499 -2.440 1.00 0.00 C ATOM 0 H LEU A 85 -1.941 -17.576 -4.036 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.199 -15.462 -4.397 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.070 -16.717 -2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.005 -18.250 -3.300 1.00 0.00 H new ATOM 0 HG LEU A 85 2.287 -17.511 -4.328 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.619 -16.117 -2.796 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.245 -15.218 -3.481 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.168 -15.823 -1.809 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.460 -18.551 -2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.002 -18.353 -1.425 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.969 -19.429 -2.842 1.00 0.00 H new ATOM 1343 N PRO A 86 0.481 -18.037 -6.365 1.00 0.00 N ATOM 1344 CA PRO A 86 1.218 -18.464 -7.558 1.00 0.00 C ATOM 1345 C PRO A 86 1.191 -17.413 -8.663 1.00 0.00 C ATOM 1346 O PRO A 86 2.201 -17.166 -9.321 1.00 0.00 O ATOM 1347 CB PRO A 86 0.473 -19.726 -8.001 1.00 0.00 C ATOM 1348 CG PRO A 86 -0.150 -20.255 -6.756 1.00 0.00 C ATOM 1349 CD PRO A 86 -0.438 -19.078 -5.876 1.00 0.00 C ATOM 0 HA PRO A 86 2.275 -18.628 -7.348 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -0.281 -19.497 -8.754 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.154 -20.453 -8.443 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -1.066 -20.799 -6.985 1.00 0.00 H new ATOM 0 HG3 PRO A 86 0.520 -20.955 -6.257 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.478 -18.763 -5.958 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.257 -19.310 -4.827 1.00 0.00 H new ATOM 1357 N GLU A 87 0.029 -16.799 -8.861 1.00 0.00 N ATOM 1358 CA GLU A 87 -0.128 -15.775 -9.887 1.00 0.00 C ATOM 1359 C GLU A 87 0.433 -14.438 -9.412 1.00 0.00 C ATOM 1360 O GLU A 87 1.406 -13.927 -9.968 1.00 0.00 O ATOM 1361 CB GLU A 87 -1.604 -15.618 -10.261 1.00 0.00 C ATOM 1362 CG GLU A 87 -2.111 -16.695 -11.204 1.00 0.00 C ATOM 1363 CD GLU A 87 -2.117 -18.072 -10.568 1.00 0.00 C ATOM 1364 OE1 GLU A 87 -3.143 -18.440 -9.959 1.00 0.00 O ATOM 1365 OE2 GLU A 87 -1.095 -18.781 -10.679 1.00 0.00 O ATOM 0 H GLU A 87 -0.817 -16.993 -8.325 1.00 0.00 H new ATOM 0 HA GLU A 87 0.431 -16.091 -10.768 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -2.204 -15.632 -9.351 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.751 -14.643 -10.725 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.121 -16.444 -11.527 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -1.486 -16.714 -12.097 1.00 0.00 H new ATOM 1372 N VAL A 88 -0.188 -13.875 -8.380 1.00 0.00 N ATOM 1373 CA VAL A 88 0.248 -12.598 -7.829 1.00 0.00 C ATOM 1374 C VAL A 88 1.768 -12.530 -7.737 1.00 0.00 C ATOM 1375 O VAL A 88 2.372 -11.498 -8.029 1.00 0.00 O ATOM 1376 CB VAL A 88 -0.351 -12.355 -6.431 1.00 0.00 C ATOM 1377 CG1 VAL A 88 0.514 -13.001 -5.360 1.00 0.00 C ATOM 1378 CG2 VAL A 88 -0.512 -10.865 -6.172 1.00 0.00 C ATOM 0 H VAL A 88 -0.995 -14.284 -7.909 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.108 -11.823 -8.508 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.338 -12.815 -6.393 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.075 -12.819 -4.379 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.572 -14.075 -5.538 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.516 -12.573 -5.394 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.936 -10.712 -5.180 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.462 -10.378 -6.229 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.177 -10.435 -6.921 1.00 0.00 H new ATOM 1388 N GLN A 89 2.381 -13.636 -7.329 1.00 0.00 N ATOM 1389 CA GLN A 89 3.832 -13.702 -7.198 1.00 0.00 C ATOM 1390 C GLN A 89 4.516 -13.088 -8.415 1.00 0.00 C ATOM 1391 O GLN A 89 5.488 -12.344 -8.283 1.00 0.00 O ATOM 1392 CB GLN A 89 4.284 -15.152 -7.022 1.00 0.00 C ATOM 1393 CG GLN A 89 4.202 -15.645 -5.586 1.00 0.00 C ATOM 1394 CD GLN A 89 4.371 -17.147 -5.473 1.00 0.00 C ATOM 1395 OE1 GLN A 89 4.055 -17.890 -6.403 1.00 0.00 O ATOM 1396 NE2 GLN A 89 4.873 -17.603 -4.332 1.00 0.00 N ATOM 0 H GLN A 89 1.896 -14.499 -7.083 1.00 0.00 H new ATOM 0 HA GLN A 89 4.119 -13.130 -6.315 1.00 0.00 H new ATOM 0 HB2 GLN A 89 3.670 -15.794 -7.653 1.00 0.00 H new ATOM 0 HB3 GLN A 89 5.312 -15.249 -7.372 1.00 0.00 H new ATOM 0 HG2 GLN A 89 4.971 -15.151 -4.992 1.00 0.00 H new ATOM 0 HG3 GLN A 89 3.239 -15.359 -5.162 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.121 -16.951 -3.588 1.00 0.00 H new ATOM 0 HE22 GLN A 89 5.011 -18.605 -4.200 1.00 0.00 H new ATOM 1405 N ARG A 90 4.003 -13.405 -9.599 1.00 0.00 N ATOM 1406 CA ARG A 90 4.566 -12.886 -10.840 1.00 0.00 C ATOM 1407 C ARG A 90 3.997 -11.507 -11.160 1.00 0.00 C ATOM 1408 O ARG A 90 4.584 -10.744 -11.927 1.00 0.00 O ATOM 1409 CB ARG A 90 4.283 -13.847 -11.995 1.00 0.00 C ATOM 1410 CG ARG A 90 4.810 -15.254 -11.760 1.00 0.00 C ATOM 1411 CD ARG A 90 4.457 -16.180 -12.913 1.00 0.00 C ATOM 1412 NE ARG A 90 5.089 -17.490 -12.776 1.00 0.00 N ATOM 1413 CZ ARG A 90 6.355 -17.732 -13.098 1.00 0.00 C ATOM 1414 NH1 ARG A 90 7.120 -16.758 -13.572 1.00 0.00 N ATOM 1415 NH2 ARG A 90 6.859 -18.950 -12.944 1.00 0.00 N ATOM 0 H ARG A 90 3.198 -14.019 -9.725 1.00 0.00 H new ATOM 0 HA ARG A 90 5.644 -12.794 -10.710 1.00 0.00 H new ATOM 0 HB2 ARG A 90 3.207 -13.894 -12.162 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.729 -13.448 -12.906 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.892 -15.222 -11.635 1.00 0.00 H new ATOM 0 HG3 ARG A 90 4.394 -15.650 -10.833 1.00 0.00 H new ATOM 0 HD2 ARG A 90 3.375 -16.303 -12.961 1.00 0.00 H new ATOM 0 HD3 ARG A 90 4.768 -15.724 -13.853 1.00 0.00 H new ATOM 0 HE ARG A 90 4.528 -18.261 -12.413 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.737 -15.820 -13.690 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.092 -16.947 -13.818 1.00 0.00 H new ATOM 0 HH21 ARG A 90 6.274 -19.701 -12.578 1.00 0.00 H new ATOM 0 HH22 ARG A 90 7.831 -19.135 -13.192 1.00 0.00 H new ATOM 1429 N ARG A 91 2.849 -11.194 -10.568 1.00 0.00 N ATOM 1430 CA ARG A 91 2.199 -9.909 -10.791 1.00 0.00 C ATOM 1431 C ARG A 91 2.803 -8.831 -9.896 1.00 0.00 C ATOM 1432 O ARG A 91 3.562 -9.128 -8.973 1.00 0.00 O ATOM 1433 CB ARG A 91 0.696 -10.021 -10.529 1.00 0.00 C ATOM 1434 CG ARG A 91 0.021 -11.132 -11.316 1.00 0.00 C ATOM 1435 CD ARG A 91 -1.462 -10.857 -11.509 1.00 0.00 C ATOM 1436 NE ARG A 91 -2.123 -11.924 -12.257 1.00 0.00 N ATOM 1437 CZ ARG A 91 -3.282 -11.769 -12.888 1.00 0.00 C ATOM 1438 NH1 ARG A 91 -3.903 -10.598 -12.863 1.00 0.00 N ATOM 1439 NH2 ARG A 91 -3.820 -12.787 -13.547 1.00 0.00 N ATOM 0 H ARG A 91 2.350 -11.814 -9.930 1.00 0.00 H new ATOM 0 HA ARG A 91 2.360 -9.625 -11.831 1.00 0.00 H new ATOM 0 HB2 ARG A 91 0.533 -10.191 -9.465 1.00 0.00 H new ATOM 0 HB3 ARG A 91 0.221 -9.072 -10.777 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.503 -11.235 -12.288 1.00 0.00 H new ATOM 0 HG3 ARG A 91 0.151 -12.080 -10.794 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -1.940 -10.747 -10.536 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -1.590 -9.912 -12.036 1.00 0.00 H new ATOM 0 HE ARG A 91 -1.670 -12.837 -12.297 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -3.491 -9.813 -12.358 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -4.793 -10.482 -13.348 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -3.344 -13.689 -13.569 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -4.710 -12.668 -14.031 1.00 0.00 H new ATOM 1453 N THR A 92 2.462 -7.577 -10.175 1.00 0.00 N ATOM 1454 CA THR A 92 2.971 -6.455 -9.397 1.00 0.00 C ATOM 1455 C THR A 92 1.862 -5.460 -9.075 1.00 0.00 C ATOM 1456 O THR A 92 0.947 -5.254 -9.873 1.00 0.00 O ATOM 1457 CB THR A 92 4.101 -5.721 -10.144 1.00 0.00 C ATOM 1458 OG1 THR A 92 5.096 -6.658 -10.570 1.00 0.00 O ATOM 1459 CG2 THR A 92 4.741 -4.665 -9.255 1.00 0.00 C ATOM 0 H THR A 92 1.835 -7.313 -10.935 1.00 0.00 H new ATOM 0 HA THR A 92 3.366 -6.868 -8.469 1.00 0.00 H new ATOM 0 HB THR A 92 3.670 -5.228 -11.015 1.00 0.00 H new ATOM 0 HG1 THR A 92 5.810 -6.184 -11.045 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.536 -4.160 -9.804 1.00 0.00 H new ATOM 0 HG22 THR A 92 3.988 -3.936 -8.955 1.00 0.00 H new ATOM 0 HG23 THR A 92 5.159 -5.141 -8.368 1.00 0.00 H new ATOM 1467 N LEU A 93 1.948 -4.845 -7.900 1.00 0.00 N ATOM 1468 CA LEU A 93 0.951 -3.871 -7.472 1.00 0.00 C ATOM 1469 C LEU A 93 1.354 -2.460 -7.888 1.00 0.00 C ATOM 1470 O LEU A 93 2.131 -1.797 -7.201 1.00 0.00 O ATOM 1471 CB LEU A 93 0.767 -3.934 -5.955 1.00 0.00 C ATOM 1472 CG LEU A 93 -0.622 -3.565 -5.431 1.00 0.00 C ATOM 1473 CD1 LEU A 93 -1.592 -4.719 -5.631 1.00 0.00 C ATOM 1474 CD2 LEU A 93 -0.552 -3.172 -3.963 1.00 0.00 C ATOM 0 H LEU A 93 2.698 -5.004 -7.227 1.00 0.00 H new ATOM 0 HA LEU A 93 0.007 -4.117 -7.958 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.002 -4.945 -5.622 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.496 -3.269 -5.493 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.987 -2.709 -5.998 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -2.575 -4.438 -5.252 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.666 -4.953 -6.693 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.232 -5.595 -5.091 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.549 -2.913 -3.608 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.165 -4.008 -3.381 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.109 -2.313 -3.847 1.00 0.00 H new ATOM 1486 N ASP A 94 0.820 -2.006 -9.017 1.00 0.00 N ATOM 1487 CA ASP A 94 1.122 -0.673 -9.524 1.00 0.00 C ATOM 1488 C ASP A 94 0.458 0.398 -8.664 1.00 0.00 C ATOM 1489 O ASP A 94 -0.731 0.681 -8.815 1.00 0.00 O ATOM 1490 CB ASP A 94 0.659 -0.539 -10.976 1.00 0.00 C ATOM 1491 CG ASP A 94 0.826 0.870 -11.509 1.00 0.00 C ATOM 1492 OD1 ASP A 94 1.975 1.360 -11.544 1.00 0.00 O ATOM 1493 OD2 ASP A 94 -0.192 1.484 -11.892 1.00 0.00 O ATOM 0 H ASP A 94 0.176 -2.542 -9.598 1.00 0.00 H new ATOM 0 HA ASP A 94 2.202 -0.530 -9.481 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.226 -1.230 -11.600 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -0.389 -0.830 -11.048 1.00 0.00 H new ATOM 1498 N VAL A 95 1.233 0.991 -7.762 1.00 0.00 N ATOM 1499 CA VAL A 95 0.720 2.031 -6.878 1.00 0.00 C ATOM 1500 C VAL A 95 1.274 3.399 -7.260 1.00 0.00 C ATOM 1501 O VAL A 95 2.444 3.695 -7.019 1.00 0.00 O ATOM 1502 CB VAL A 95 1.071 1.740 -5.406 1.00 0.00 C ATOM 1503 CG1 VAL A 95 0.292 2.661 -4.480 1.00 0.00 C ATOM 1504 CG2 VAL A 95 0.798 0.281 -5.073 1.00 0.00 C ATOM 0 H VAL A 95 2.219 0.769 -7.624 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.364 2.036 -6.991 1.00 0.00 H new ATOM 0 HB VAL A 95 2.134 1.930 -5.259 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.553 2.441 -3.445 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.541 3.698 -4.705 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.777 2.505 -4.626 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.051 0.092 -4.030 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.257 0.062 -5.236 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.404 -0.358 -5.715 1.00 0.00 H new ATOM 1514 N ALA A 96 0.425 4.229 -7.856 1.00 0.00 N ATOM 1515 CA ALA A 96 0.828 5.568 -8.269 1.00 0.00 C ATOM 1516 C ALA A 96 -0.060 6.630 -7.632 1.00 0.00 C ATOM 1517 O ALA A 96 -1.285 6.583 -7.752 1.00 0.00 O ATOM 1518 CB ALA A 96 0.791 5.686 -9.786 1.00 0.00 C ATOM 0 H ALA A 96 -0.547 3.998 -8.064 1.00 0.00 H new ATOM 0 HA ALA A 96 1.850 5.734 -7.927 1.00 0.00 H new ATOM 0 HB1 ALA A 96 1.094 6.691 -10.080 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.474 4.958 -10.224 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.221 5.494 -10.141 1.00 0.00 H new ATOM 1524 N VAL A 97 0.563 7.588 -6.953 1.00 0.00 N ATOM 1525 CA VAL A 97 -0.172 8.662 -6.297 1.00 0.00 C ATOM 1526 C VAL A 97 0.026 9.987 -7.025 1.00 0.00 C ATOM 1527 O VAL A 97 1.056 10.644 -6.875 1.00 0.00 O ATOM 1528 CB VAL A 97 0.265 8.826 -4.829 1.00 0.00 C ATOM 1529 CG1 VAL A 97 -0.582 9.881 -4.134 1.00 0.00 C ATOM 1530 CG2 VAL A 97 0.179 7.495 -4.096 1.00 0.00 C ATOM 0 H VAL A 97 1.576 7.642 -6.843 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.227 8.388 -6.326 1.00 0.00 H new ATOM 0 HB VAL A 97 1.303 9.159 -4.812 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.259 9.983 -3.098 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.466 10.836 -4.646 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.630 9.581 -4.159 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.491 7.629 -3.060 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.848 7.132 -4.121 1.00 0.00 H new ATOM 0 HG23 VAL A 97 0.832 6.770 -4.581 1.00 0.00 H new ATOM 1540 N LYS A 98 -0.970 10.376 -7.814 1.00 0.00 N ATOM 1541 CA LYS A 98 -0.908 11.624 -8.566 1.00 0.00 C ATOM 1542 C LYS A 98 -2.161 12.463 -8.331 1.00 0.00 C ATOM 1543 O LYS A 98 -3.030 12.090 -7.545 1.00 0.00 O ATOM 1544 CB LYS A 98 -0.747 11.336 -10.060 1.00 0.00 C ATOM 1545 CG LYS A 98 -1.741 10.320 -10.595 1.00 0.00 C ATOM 1546 CD LYS A 98 -1.264 8.896 -10.361 1.00 0.00 C ATOM 1547 CE LYS A 98 -1.847 7.938 -11.388 1.00 0.00 C ATOM 1548 NZ LYS A 98 -1.082 7.961 -12.666 1.00 0.00 N ATOM 0 H LYS A 98 -1.830 9.845 -7.949 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.043 12.188 -8.216 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.858 12.268 -10.615 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.264 10.974 -10.245 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.707 10.465 -10.111 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.891 10.484 -11.662 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -0.176 8.863 -10.408 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -1.550 8.575 -9.359 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.846 6.926 -10.982 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.886 8.202 -11.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.560 7.360 -13.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.032 8.936 -13.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -0.120 7.603 -12.501 1.00 0.00 H new ATOM 1562 N ASN A 99 -2.246 13.596 -9.020 1.00 0.00 N ATOM 1563 CA ASN A 99 -3.393 14.487 -8.887 1.00 0.00 C ATOM 1564 C ASN A 99 -4.379 14.279 -10.032 1.00 0.00 C ATOM 1565 O ASN A 99 -4.060 14.534 -11.194 1.00 0.00 O ATOM 1566 CB ASN A 99 -2.931 15.945 -8.854 1.00 0.00 C ATOM 1567 CG ASN A 99 -2.584 16.473 -10.233 1.00 0.00 C ATOM 1568 OD1 ASN A 99 -3.430 17.043 -10.923 1.00 0.00 O ATOM 1569 ND2 ASN A 99 -1.335 16.284 -10.642 1.00 0.00 N ATOM 0 H ASN A 99 -1.535 13.919 -9.676 1.00 0.00 H new ATOM 0 HA ASN A 99 -3.898 14.252 -7.950 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -3.717 16.562 -8.419 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -2.060 16.033 -8.205 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -1.044 16.616 -11.561 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -0.667 15.806 -10.037 1.00 0.00 H new ATOM 1576 N SER A 100 -5.579 13.816 -9.696 1.00 0.00 N ATOM 1577 CA SER A 100 -6.611 13.571 -10.697 1.00 0.00 C ATOM 1578 C SER A 100 -6.660 14.705 -11.716 1.00 0.00 C ATOM 1579 O SER A 100 -7.253 15.753 -11.468 1.00 0.00 O ATOM 1580 CB SER A 100 -7.976 13.416 -10.024 1.00 0.00 C ATOM 1581 OG SER A 100 -9.024 13.487 -10.975 1.00 0.00 O ATOM 0 H SER A 100 -5.860 13.603 -8.739 1.00 0.00 H new ATOM 0 HA SER A 100 -6.364 12.647 -11.220 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.020 12.461 -9.500 1.00 0.00 H new ATOM 0 HB3 SER A 100 -8.107 14.197 -9.275 1.00 0.00 H new ATOM 0 HG SER A 100 -9.886 13.384 -10.520 1.00 0.00 H new ATOM 1587 N GLY A 101 -6.029 14.486 -12.866 1.00 0.00 N ATOM 1588 CA GLY A 101 -6.012 15.497 -13.907 1.00 0.00 C ATOM 1589 C GLY A 101 -7.011 15.211 -15.011 1.00 0.00 C ATOM 1590 O GLY A 101 -8.217 15.180 -14.773 1.00 0.00 O ATOM 0 H GLY A 101 -5.530 13.627 -13.095 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -6.230 16.470 -13.467 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.011 15.557 -14.334 1.00 0.00 H new ATOM 1594 N GLY A 102 -6.507 15.002 -16.224 1.00 0.00 N ATOM 1595 CA GLY A 102 -7.378 14.722 -17.350 1.00 0.00 C ATOM 1596 C GLY A 102 -8.530 13.810 -16.979 1.00 0.00 C ATOM 1597 O GLY A 102 -8.367 12.592 -16.899 1.00 0.00 O ATOM 0 H GLY A 102 -5.512 15.022 -16.446 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -7.773 15.659 -17.742 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -6.797 14.262 -18.149 1.00 0.00 H new ATOM 1601 N PHE A 103 -9.699 14.399 -16.751 1.00 0.00 N ATOM 1602 CA PHE A 103 -10.883 13.632 -16.384 1.00 0.00 C ATOM 1603 C PHE A 103 -11.248 12.635 -17.480 1.00 0.00 C ATOM 1604 O PHE A 103 -11.376 13.001 -18.650 1.00 0.00 O ATOM 1605 CB PHE A 103 -12.063 14.570 -16.118 1.00 0.00 C ATOM 1606 CG PHE A 103 -12.802 14.970 -17.363 1.00 0.00 C ATOM 1607 CD1 PHE A 103 -12.417 16.089 -18.084 1.00 0.00 C ATOM 1608 CD2 PHE A 103 -13.882 14.228 -17.812 1.00 0.00 C ATOM 1609 CE1 PHE A 103 -13.094 16.460 -19.230 1.00 0.00 C ATOM 1610 CE2 PHE A 103 -14.563 14.593 -18.958 1.00 0.00 C ATOM 1611 CZ PHE A 103 -14.170 15.711 -19.667 1.00 0.00 C ATOM 0 H PHE A 103 -9.852 15.406 -16.814 1.00 0.00 H new ATOM 0 HA PHE A 103 -10.657 13.077 -15.474 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -12.757 14.083 -15.433 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -11.698 15.467 -15.617 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -11.577 16.678 -17.746 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -14.196 13.354 -17.260 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -12.783 17.334 -19.783 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -15.402 14.004 -19.299 1.00 0.00 H new ATOM 0 HZ PHE A 103 -14.703 15.999 -20.561 1.00 0.00 H new ATOM 1621 N LEU A 104 -11.412 11.375 -17.095 1.00 0.00 N ATOM 1622 CA LEU A 104 -11.761 10.324 -18.045 1.00 0.00 C ATOM 1623 C LEU A 104 -11.000 10.499 -19.355 1.00 0.00 C ATOM 1624 O LEU A 104 -11.568 10.357 -20.438 1.00 0.00 O ATOM 1625 CB LEU A 104 -13.267 10.330 -18.312 1.00 0.00 C ATOM 1626 CG LEU A 104 -14.136 9.613 -17.277 1.00 0.00 C ATOM 1627 CD1 LEU A 104 -13.773 8.138 -17.206 1.00 0.00 C ATOM 1628 CD2 LEU A 104 -13.987 10.267 -15.911 1.00 0.00 C ATOM 0 H LEU A 104 -11.309 11.056 -16.132 1.00 0.00 H new ATOM 0 HA LEU A 104 -11.480 9.366 -17.608 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -13.599 11.366 -18.381 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -13.445 9.873 -19.285 1.00 0.00 H new ATOM 0 HG LEU A 104 -15.178 9.695 -17.585 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -14.401 7.644 -16.465 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -13.931 7.677 -18.181 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -12.726 8.034 -16.921 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -14.612 9.744 -15.187 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -12.945 10.216 -15.595 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -14.297 11.310 -15.971 1.00 0.00 H new ATOM 1640 N SER A 105 -9.711 10.807 -19.248 1.00 0.00 N ATOM 1641 CA SER A 105 -8.872 11.003 -20.425 1.00 0.00 C ATOM 1642 C SER A 105 -7.402 10.779 -20.086 1.00 0.00 C ATOM 1643 O SER A 105 -7.048 10.526 -18.934 1.00 0.00 O ATOM 1644 CB SER A 105 -9.069 12.411 -20.989 1.00 0.00 C ATOM 1645 OG SER A 105 -8.862 12.433 -22.390 1.00 0.00 O ATOM 0 H SER A 105 -9.225 10.926 -18.359 1.00 0.00 H new ATOM 0 HA SER A 105 -9.169 10.273 -21.179 1.00 0.00 H new ATOM 0 HB2 SER A 105 -10.076 12.759 -20.762 1.00 0.00 H new ATOM 0 HB3 SER A 105 -8.377 13.100 -20.505 1.00 0.00 H new ATOM 0 HG SER A 105 -8.996 13.344 -22.726 1.00 0.00 H new ATOM 1651 N LYS A 106 -6.547 10.874 -21.099 1.00 0.00 N ATOM 1652 CA LYS A 106 -5.114 10.684 -20.912 1.00 0.00 C ATOM 1653 C LYS A 106 -4.633 11.384 -19.645 1.00 0.00 C ATOM 1654 O LYS A 106 -5.111 12.466 -19.302 1.00 0.00 O ATOM 1655 CB LYS A 106 -4.345 11.216 -22.124 1.00 0.00 C ATOM 1656 CG LYS A 106 -4.563 12.697 -22.380 1.00 0.00 C ATOM 1657 CD LYS A 106 -4.438 13.032 -23.857 1.00 0.00 C ATOM 1658 CE LYS A 106 -2.982 13.089 -24.295 1.00 0.00 C ATOM 1659 NZ LYS A 106 -2.833 12.842 -25.756 1.00 0.00 N ATOM 0 H LYS A 106 -6.823 11.082 -22.059 1.00 0.00 H new ATOM 0 HA LYS A 106 -4.925 9.615 -20.810 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -3.280 11.034 -21.977 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -4.645 10.655 -23.009 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -5.551 12.987 -22.022 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -3.835 13.276 -21.812 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -4.967 12.284 -24.447 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -4.916 13.991 -24.055 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -2.566 14.066 -24.047 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -2.407 12.348 -23.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -1.827 12.889 -26.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -3.207 11.900 -25.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -3.361 13.564 -26.286 1.00 0.00 H new ATOM 1673 N ASP A 107 -3.684 10.761 -18.954 1.00 0.00 N ATOM 1674 CA ASP A 107 -3.137 11.326 -17.726 1.00 0.00 C ATOM 1675 C ASP A 107 -1.653 11.642 -17.887 1.00 0.00 C ATOM 1676 O ASP A 107 -0.820 10.739 -17.963 1.00 0.00 O ATOM 1677 CB ASP A 107 -3.341 10.358 -16.559 1.00 0.00 C ATOM 1678 CG ASP A 107 -4.663 9.620 -16.644 1.00 0.00 C ATOM 1679 OD1 ASP A 107 -4.735 8.618 -17.385 1.00 0.00 O ATOM 1680 OD2 ASP A 107 -5.624 10.045 -15.969 1.00 0.00 O ATOM 0 H ASP A 107 -3.278 9.865 -19.223 1.00 0.00 H new ATOM 0 HA ASP A 107 -3.667 12.255 -17.515 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -2.525 9.635 -16.543 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -3.296 10.910 -15.620 1.00 0.00 H new ATOM 1685 N LYS A 108 -1.330 12.930 -17.940 1.00 0.00 N ATOM 1686 CA LYS A 108 0.053 13.366 -18.093 1.00 0.00 C ATOM 1687 C LYS A 108 0.508 14.164 -16.875 1.00 0.00 C ATOM 1688 O LYS A 108 1.455 14.946 -16.952 1.00 0.00 O ATOM 1689 CB LYS A 108 0.205 14.215 -19.357 1.00 0.00 C ATOM 1690 CG LYS A 108 -0.703 15.432 -19.386 1.00 0.00 C ATOM 1691 CD LYS A 108 -1.089 15.806 -20.807 1.00 0.00 C ATOM 1692 CE LYS A 108 -2.431 16.522 -20.850 1.00 0.00 C ATOM 1693 NZ LYS A 108 -2.702 17.112 -22.190 1.00 0.00 N ATOM 0 H LYS A 108 -2.007 13.690 -17.879 1.00 0.00 H new ATOM 0 HA LYS A 108 0.680 12.479 -18.181 1.00 0.00 H new ATOM 0 HB2 LYS A 108 1.241 14.543 -19.442 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -0.005 13.595 -20.228 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -1.603 15.230 -18.805 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.200 16.274 -18.911 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -0.320 16.447 -21.237 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -1.135 14.907 -21.421 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -3.225 15.821 -20.595 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -2.447 17.309 -20.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -3.625 17.591 -22.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -1.958 17.800 -22.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -2.712 16.358 -22.906 1.00 0.00 H new ATOM 1707 N GLY A 109 -0.172 13.960 -15.751 1.00 0.00 N ATOM 1708 CA GLY A 109 0.179 14.666 -14.533 1.00 0.00 C ATOM 1709 C GLY A 109 0.473 13.726 -13.381 1.00 0.00 C ATOM 1710 O GLY A 109 -0.307 13.631 -12.433 1.00 0.00 O ATOM 0 H GLY A 109 -0.960 13.318 -15.662 1.00 0.00 H new ATOM 0 HA2 GLY A 109 1.052 15.292 -14.719 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -0.638 15.332 -14.255 1.00 0.00 H new ATOM 1714 N LEU A 110 1.600 13.027 -13.462 1.00 0.00 N ATOM 1715 CA LEU A 110 1.994 12.087 -12.419 1.00 0.00 C ATOM 1716 C LEU A 110 2.908 12.758 -11.398 1.00 0.00 C ATOM 1717 O LEU A 110 3.932 13.342 -11.755 1.00 0.00 O ATOM 1718 CB LEU A 110 2.701 10.878 -13.035 1.00 0.00 C ATOM 1719 CG LEU A 110 3.380 9.924 -12.052 1.00 0.00 C ATOM 1720 CD1 LEU A 110 2.352 9.026 -11.382 1.00 0.00 C ATOM 1721 CD2 LEU A 110 4.438 9.091 -12.761 1.00 0.00 C ATOM 0 H LEU A 110 2.257 13.094 -14.239 1.00 0.00 H new ATOM 0 HA LEU A 110 1.092 11.752 -11.907 1.00 0.00 H new ATOM 0 HB2 LEU A 110 1.971 10.312 -13.614 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.453 11.240 -13.736 1.00 0.00 H new ATOM 0 HG LEU A 110 3.871 10.517 -11.280 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.854 8.354 -10.686 1.00 0.00 H new ATOM 0 HD12 LEU A 110 1.632 9.639 -10.839 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.831 8.440 -12.140 1.00 0.00 H new ATOM 0 HD21 LEU A 110 4.911 8.418 -12.046 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.970 8.508 -13.554 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.192 9.750 -13.192 1.00 0.00 H new ATOM 1733 N LEU A 111 2.532 12.669 -10.127 1.00 0.00 N ATOM 1734 CA LEU A 111 3.319 13.266 -9.053 1.00 0.00 C ATOM 1735 C LEU A 111 4.352 12.278 -8.521 1.00 0.00 C ATOM 1736 O LEU A 111 5.539 12.590 -8.439 1.00 0.00 O ATOM 1737 CB LEU A 111 2.402 13.724 -7.917 1.00 0.00 C ATOM 1738 CG LEU A 111 1.233 14.623 -8.320 1.00 0.00 C ATOM 1739 CD1 LEU A 111 0.395 14.985 -7.103 1.00 0.00 C ATOM 1740 CD2 LEU A 111 1.741 15.879 -9.013 1.00 0.00 C ATOM 0 H LEU A 111 1.688 12.190 -9.815 1.00 0.00 H new ATOM 0 HA LEU A 111 3.845 14.130 -9.458 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.001 12.840 -7.422 1.00 0.00 H new ATOM 0 HB3 LEU A 111 3.006 14.255 -7.181 1.00 0.00 H new ATOM 0 HG LEU A 111 0.602 14.076 -9.020 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.433 15.625 -7.408 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.002 14.076 -6.649 1.00 0.00 H new ATOM 0 HD13 LEU A 111 1.015 15.514 -6.379 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.895 16.507 -9.293 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.394 16.430 -8.336 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.298 15.601 -9.908 1.00 0.00 H new ATOM 1752 N GLY A 112 3.891 11.082 -8.164 1.00 0.00 N ATOM 1753 CA GLY A 112 4.789 10.066 -7.647 1.00 0.00 C ATOM 1754 C GLY A 112 4.172 8.682 -7.669 1.00 0.00 C ATOM 1755 O GLY A 112 2.959 8.531 -7.516 1.00 0.00 O ATOM 0 H GLY A 112 2.913 10.799 -8.224 1.00 0.00 H new ATOM 0 HA2 GLY A 112 5.706 10.061 -8.237 1.00 0.00 H new ATOM 0 HA3 GLY A 112 5.069 10.319 -6.625 1.00 0.00 H new ATOM 1759 N LYS A 113 5.007 7.667 -7.863 1.00 0.00 N ATOM 1760 CA LYS A 113 4.538 6.287 -7.906 1.00 0.00 C ATOM 1761 C LYS A 113 5.610 5.331 -7.393 1.00 0.00 C ATOM 1762 O LYS A 113 6.793 5.671 -7.356 1.00 0.00 O ATOM 1763 CB LYS A 113 4.141 5.906 -9.334 1.00 0.00 C ATOM 1764 CG LYS A 113 5.323 5.780 -10.281 1.00 0.00 C ATOM 1765 CD LYS A 113 4.868 5.594 -11.718 1.00 0.00 C ATOM 1766 CE LYS A 113 4.696 4.123 -12.063 1.00 0.00 C ATOM 1767 NZ LYS A 113 4.038 3.936 -13.385 1.00 0.00 N ATOM 0 H LYS A 113 6.013 7.774 -7.993 1.00 0.00 H new ATOM 0 HA LYS A 113 3.665 6.206 -7.259 1.00 0.00 H new ATOM 0 HB2 LYS A 113 3.601 4.959 -9.312 1.00 0.00 H new ATOM 0 HB3 LYS A 113 3.453 6.656 -9.723 1.00 0.00 H new ATOM 0 HG2 LYS A 113 5.946 6.672 -10.208 1.00 0.00 H new ATOM 0 HG3 LYS A 113 5.942 4.934 -9.982 1.00 0.00 H new ATOM 0 HD2 LYS A 113 3.925 6.118 -11.873 1.00 0.00 H new ATOM 0 HD3 LYS A 113 5.597 6.044 -12.392 1.00 0.00 H new ATOM 0 HE2 LYS A 113 5.671 3.636 -12.071 1.00 0.00 H new ATOM 0 HE3 LYS A 113 4.102 3.636 -11.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 3.939 2.920 -13.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 3.097 4.379 -13.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 4.617 4.378 -14.127 1.00 0.00 H new ATOM 1781 N VAL A 114 5.189 4.133 -6.998 1.00 0.00 N ATOM 1782 CA VAL A 114 6.114 3.128 -6.490 1.00 0.00 C ATOM 1783 C VAL A 114 5.559 1.721 -6.685 1.00 0.00 C ATOM 1784 O VAL A 114 4.434 1.424 -6.280 1.00 0.00 O ATOM 1785 CB VAL A 114 6.414 3.346 -4.995 1.00 0.00 C ATOM 1786 CG1 VAL A 114 5.131 3.294 -4.179 1.00 0.00 C ATOM 1787 CG2 VAL A 114 7.414 2.314 -4.496 1.00 0.00 C ATOM 0 H VAL A 114 4.214 3.836 -7.020 1.00 0.00 H new ATOM 0 HA VAL A 114 7.038 3.233 -7.058 1.00 0.00 H new ATOM 0 HB VAL A 114 6.855 4.335 -4.872 1.00 0.00 H new ATOM 0 HG11 VAL A 114 5.363 3.450 -3.126 1.00 0.00 H new ATOM 0 HG12 VAL A 114 4.451 4.075 -4.520 1.00 0.00 H new ATOM 0 HG13 VAL A 114 4.658 2.320 -4.306 1.00 0.00 H new ATOM 0 HG21 VAL A 114 7.614 2.483 -3.438 1.00 0.00 H new ATOM 0 HG22 VAL A 114 7.003 1.314 -4.632 1.00 0.00 H new ATOM 0 HG23 VAL A 114 8.342 2.405 -5.060 1.00 0.00 H new ATOM 1797 N LEU A 115 6.354 0.859 -7.309 1.00 0.00 N ATOM 1798 CA LEU A 115 5.942 -0.518 -7.558 1.00 0.00 C ATOM 1799 C LEU A 115 6.363 -1.429 -6.409 1.00 0.00 C ATOM 1800 O LEU A 115 7.406 -1.223 -5.789 1.00 0.00 O ATOM 1801 CB LEU A 115 6.546 -1.022 -8.870 1.00 0.00 C ATOM 1802 CG LEU A 115 5.902 -0.494 -10.152 1.00 0.00 C ATOM 1803 CD1 LEU A 115 4.480 -1.017 -10.290 1.00 0.00 C ATOM 1804 CD2 LEU A 115 5.916 1.028 -10.169 1.00 0.00 C ATOM 0 H LEU A 115 7.287 1.089 -7.652 1.00 0.00 H new ATOM 0 HA LEU A 115 4.855 -0.538 -7.634 1.00 0.00 H new ATOM 0 HB2 LEU A 115 7.604 -0.760 -8.884 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.487 -2.110 -8.879 1.00 0.00 H new ATOM 0 HG LEU A 115 6.483 -0.852 -11.002 1.00 0.00 H new ATOM 0 HD11 LEU A 115 4.038 -0.631 -11.208 1.00 0.00 H new ATOM 0 HD12 LEU A 115 4.495 -2.106 -10.325 1.00 0.00 H new ATOM 0 HD13 LEU A 115 3.887 -0.689 -9.436 1.00 0.00 H new ATOM 0 HD21 LEU A 115 5.454 1.386 -11.089 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.359 1.407 -9.312 1.00 0.00 H new ATOM 0 HD23 LEU A 115 6.945 1.383 -10.118 1.00 0.00 H new ATOM 1816 N VAL A 116 5.544 -2.439 -6.132 1.00 0.00 N ATOM 1817 CA VAL A 116 5.832 -3.384 -5.059 1.00 0.00 C ATOM 1818 C VAL A 116 5.756 -4.822 -5.559 1.00 0.00 C ATOM 1819 O VAL A 116 4.698 -5.287 -5.983 1.00 0.00 O ATOM 1820 CB VAL A 116 4.857 -3.209 -3.880 1.00 0.00 C ATOM 1821 CG1 VAL A 116 5.126 -4.251 -2.805 1.00 0.00 C ATOM 1822 CG2 VAL A 116 4.959 -1.803 -3.308 1.00 0.00 C ATOM 0 H VAL A 116 4.676 -2.624 -6.635 1.00 0.00 H new ATOM 0 HA VAL A 116 6.845 -3.175 -4.716 1.00 0.00 H new ATOM 0 HB VAL A 116 3.841 -3.354 -4.247 1.00 0.00 H new ATOM 0 HG11 VAL A 116 4.427 -4.111 -1.980 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.997 -5.249 -3.225 1.00 0.00 H new ATOM 0 HG13 VAL A 116 6.147 -4.141 -2.439 1.00 0.00 H new ATOM 0 HG21 VAL A 116 4.263 -1.697 -2.476 1.00 0.00 H new ATOM 0 HG22 VAL A 116 5.975 -1.626 -2.956 1.00 0.00 H new ATOM 0 HG23 VAL A 116 4.712 -1.076 -4.082 1.00 0.00 H new ATOM 1832 N ALA A 117 6.884 -5.522 -5.505 1.00 0.00 N ATOM 1833 CA ALA A 117 6.945 -6.909 -5.950 1.00 0.00 C ATOM 1834 C ALA A 117 6.254 -7.835 -4.955 1.00 0.00 C ATOM 1835 O ALA A 117 6.737 -8.037 -3.840 1.00 0.00 O ATOM 1836 CB ALA A 117 8.391 -7.335 -6.154 1.00 0.00 C ATOM 0 H ALA A 117 7.768 -5.151 -5.157 1.00 0.00 H new ATOM 0 HA ALA A 117 6.419 -6.983 -6.902 1.00 0.00 H new ATOM 0 HB1 ALA A 117 8.421 -8.373 -6.486 1.00 0.00 H new ATOM 0 HB2 ALA A 117 8.855 -6.699 -6.908 1.00 0.00 H new ATOM 0 HB3 ALA A 117 8.935 -7.239 -5.214 1.00 0.00 H new ATOM 1842 N LEU A 118 5.120 -8.395 -5.364 1.00 0.00 N ATOM 1843 CA LEU A 118 4.362 -9.300 -4.508 1.00 0.00 C ATOM 1844 C LEU A 118 4.916 -10.719 -4.589 1.00 0.00 C ATOM 1845 O LEU A 118 4.234 -11.683 -4.242 1.00 0.00 O ATOM 1846 CB LEU A 118 2.885 -9.294 -4.908 1.00 0.00 C ATOM 1847 CG LEU A 118 2.292 -7.930 -5.265 1.00 0.00 C ATOM 1848 CD1 LEU A 118 0.839 -8.075 -5.688 1.00 0.00 C ATOM 1849 CD2 LEU A 118 2.415 -6.971 -4.090 1.00 0.00 C ATOM 0 H LEU A 118 4.706 -8.238 -6.283 1.00 0.00 H new ATOM 0 HA LEU A 118 4.456 -8.951 -3.480 1.00 0.00 H new ATOM 0 HB2 LEU A 118 2.758 -9.958 -5.763 1.00 0.00 H new ATOM 0 HB3 LEU A 118 2.305 -9.716 -4.087 1.00 0.00 H new ATOM 0 HG LEU A 118 2.854 -7.519 -6.104 1.00 0.00 H new ATOM 0 HD11 LEU A 118 0.433 -7.095 -5.938 1.00 0.00 H new ATOM 0 HD12 LEU A 118 0.777 -8.727 -6.560 1.00 0.00 H new ATOM 0 HD13 LEU A 118 0.263 -8.508 -4.870 1.00 0.00 H new ATOM 0 HD21 LEU A 118 1.988 -6.006 -4.362 1.00 0.00 H new ATOM 0 HD22 LEU A 118 1.879 -7.376 -3.232 1.00 0.00 H new ATOM 0 HD23 LEU A 118 3.467 -6.843 -3.833 1.00 0.00 H new ATOM 1861 N ALA A 119 6.158 -10.838 -5.046 1.00 0.00 N ATOM 1862 CA ALA A 119 6.806 -12.138 -5.168 1.00 0.00 C ATOM 1863 C ALA A 119 7.414 -12.575 -3.840 1.00 0.00 C ATOM 1864 O ALA A 119 8.289 -13.440 -3.802 1.00 0.00 O ATOM 1865 CB ALA A 119 7.873 -12.097 -6.252 1.00 0.00 C ATOM 0 H ALA A 119 6.736 -10.050 -5.338 1.00 0.00 H new ATOM 0 HA ALA A 119 6.048 -12.869 -5.448 1.00 0.00 H new ATOM 0 HB1 ALA A 119 8.348 -13.075 -6.332 1.00 0.00 H new ATOM 0 HB2 ALA A 119 7.413 -11.838 -7.206 1.00 0.00 H new ATOM 0 HB3 ALA A 119 8.623 -11.349 -5.996 1.00 0.00 H new ATOM 1871 N SER A 120 6.945 -11.971 -2.753 1.00 0.00 N ATOM 1872 CA SER A 120 7.447 -12.295 -1.422 1.00 0.00 C ATOM 1873 C SER A 120 6.748 -13.531 -0.864 1.00 0.00 C ATOM 1874 O SER A 120 5.683 -13.922 -1.341 1.00 0.00 O ATOM 1875 CB SER A 120 7.245 -11.110 -0.476 1.00 0.00 C ATOM 1876 OG SER A 120 8.127 -10.048 -0.793 1.00 0.00 O ATOM 0 H SER A 120 6.219 -11.255 -2.767 1.00 0.00 H new ATOM 0 HA SER A 120 8.513 -12.508 -1.504 1.00 0.00 H new ATOM 0 HB2 SER A 120 6.214 -10.762 -0.539 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.411 -11.430 0.553 1.00 0.00 H new ATOM 0 HG SER A 120 7.977 -9.302 -0.175 1.00 0.00 H new ATOM 1882 N GLU A 121 7.356 -14.141 0.149 1.00 0.00 N ATOM 1883 CA GLU A 121 6.793 -15.333 0.771 1.00 0.00 C ATOM 1884 C GLU A 121 6.200 -15.004 2.138 1.00 0.00 C ATOM 1885 O GLU A 121 5.403 -15.769 2.680 1.00 0.00 O ATOM 1886 CB GLU A 121 7.865 -16.415 0.915 1.00 0.00 C ATOM 1887 CG GLU A 121 7.319 -17.754 1.384 1.00 0.00 C ATOM 1888 CD GLU A 121 8.352 -18.862 1.312 1.00 0.00 C ATOM 1889 OE1 GLU A 121 8.790 -19.193 0.190 1.00 0.00 O ATOM 1890 OE2 GLU A 121 8.722 -19.398 2.378 1.00 0.00 O ATOM 0 H GLU A 121 8.238 -13.829 0.556 1.00 0.00 H new ATOM 0 HA GLU A 121 5.996 -15.705 0.128 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.363 -16.551 -0.045 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.622 -16.073 1.621 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.965 -17.658 2.410 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.458 -18.025 0.774 1.00 0.00 H new ATOM 1897 N GLU A 122 6.597 -13.861 2.690 1.00 0.00 N ATOM 1898 CA GLU A 122 6.106 -13.432 3.994 1.00 0.00 C ATOM 1899 C GLU A 122 4.848 -12.580 3.849 1.00 0.00 C ATOM 1900 O GLU A 122 4.684 -11.573 4.538 1.00 0.00 O ATOM 1901 CB GLU A 122 7.186 -12.644 4.736 1.00 0.00 C ATOM 1902 CG GLU A 122 8.338 -13.504 5.229 1.00 0.00 C ATOM 1903 CD GLU A 122 8.080 -14.094 6.601 1.00 0.00 C ATOM 1904 OE1 GLU A 122 7.214 -14.988 6.709 1.00 0.00 O ATOM 1905 OE2 GLU A 122 8.743 -13.663 7.567 1.00 0.00 O ATOM 0 H GLU A 122 7.257 -13.216 2.254 1.00 0.00 H new ATOM 0 HA GLU A 122 5.856 -14.323 4.570 1.00 0.00 H new ATOM 0 HB2 GLU A 122 7.578 -11.871 4.075 1.00 0.00 H new ATOM 0 HB3 GLU A 122 6.733 -12.136 5.587 1.00 0.00 H new ATOM 0 HG2 GLU A 122 8.514 -14.311 4.518 1.00 0.00 H new ATOM 0 HG3 GLU A 122 9.247 -12.903 5.261 1.00 0.00 H new ATOM 1912 N LEU A 123 3.964 -12.991 2.946 1.00 0.00 N ATOM 1913 CA LEU A 123 2.720 -12.265 2.709 1.00 0.00 C ATOM 1914 C LEU A 123 1.653 -12.669 3.721 1.00 0.00 C ATOM 1915 O LEU A 123 1.022 -11.817 4.345 1.00 0.00 O ATOM 1916 CB LEU A 123 2.218 -12.527 1.288 1.00 0.00 C ATOM 1917 CG LEU A 123 2.822 -11.651 0.190 1.00 0.00 C ATOM 1918 CD1 LEU A 123 2.647 -12.305 -1.171 1.00 0.00 C ATOM 1919 CD2 LEU A 123 2.189 -10.267 0.204 1.00 0.00 C ATOM 0 H LEU A 123 4.085 -13.822 2.367 1.00 0.00 H new ATOM 0 HA LEU A 123 2.920 -11.200 2.827 1.00 0.00 H new ATOM 0 HB2 LEU A 123 2.414 -13.570 1.042 1.00 0.00 H new ATOM 0 HB3 LEU A 123 1.136 -12.395 1.276 1.00 0.00 H new ATOM 0 HG LEU A 123 3.889 -11.543 0.384 1.00 0.00 H new ATOM 0 HD11 LEU A 123 3.083 -11.667 -1.940 1.00 0.00 H new ATOM 0 HD12 LEU A 123 3.147 -13.273 -1.176 1.00 0.00 H new ATOM 0 HD13 LEU A 123 1.585 -12.444 -1.374 1.00 0.00 H new ATOM 0 HD21 LEU A 123 2.631 -9.657 -0.584 1.00 0.00 H new ATOM 0 HD22 LEU A 123 1.116 -10.356 0.035 1.00 0.00 H new ATOM 0 HD23 LEU A 123 2.367 -9.795 1.171 1.00 0.00 H new ATOM 1931 N ALA A 124 1.458 -13.974 3.879 1.00 0.00 N ATOM 1932 CA ALA A 124 0.470 -14.491 4.818 1.00 0.00 C ATOM 1933 C ALA A 124 0.499 -13.713 6.129 1.00 0.00 C ATOM 1934 O ALA A 124 -0.545 -13.388 6.694 1.00 0.00 O ATOM 1935 CB ALA A 124 0.710 -15.972 5.074 1.00 0.00 C ATOM 0 H ALA A 124 1.971 -14.693 3.369 1.00 0.00 H new ATOM 0 HA ALA A 124 -0.518 -14.366 4.374 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -0.035 -16.345 5.777 1.00 0.00 H new ATOM 0 HB2 ALA A 124 0.631 -16.521 4.136 1.00 0.00 H new ATOM 0 HB3 ALA A 124 1.706 -16.112 5.493 1.00 0.00 H new ATOM 1941 N LYS A 125 1.703 -13.418 6.609 1.00 0.00 N ATOM 1942 CA LYS A 125 1.869 -12.678 7.854 1.00 0.00 C ATOM 1943 C LYS A 125 1.481 -11.214 7.673 1.00 0.00 C ATOM 1944 O LYS A 125 0.800 -10.633 8.516 1.00 0.00 O ATOM 1945 CB LYS A 125 3.317 -12.776 8.340 1.00 0.00 C ATOM 1946 CG LYS A 125 4.212 -11.667 7.814 1.00 0.00 C ATOM 1947 CD LYS A 125 5.550 -11.642 8.533 1.00 0.00 C ATOM 1948 CE LYS A 125 6.388 -10.445 8.111 1.00 0.00 C ATOM 1949 NZ LYS A 125 7.742 -10.469 8.729 1.00 0.00 N ATOM 0 H LYS A 125 2.578 -13.680 6.154 1.00 0.00 H new ATOM 0 HA LYS A 125 1.210 -13.121 8.601 1.00 0.00 H new ATOM 0 HB2 LYS A 125 3.328 -12.754 9.430 1.00 0.00 H new ATOM 0 HB3 LYS A 125 3.729 -13.738 8.036 1.00 0.00 H new ATOM 0 HG2 LYS A 125 4.375 -11.806 6.745 1.00 0.00 H new ATOM 0 HG3 LYS A 125 3.713 -10.706 7.938 1.00 0.00 H new ATOM 0 HD2 LYS A 125 5.385 -11.610 9.610 1.00 0.00 H new ATOM 0 HD3 LYS A 125 6.095 -12.562 8.321 1.00 0.00 H new ATOM 0 HE2 LYS A 125 6.485 -10.434 7.025 1.00 0.00 H new ATOM 0 HE3 LYS A 125 5.876 -9.525 8.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 8.281 -9.637 8.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 7.651 -10.453 9.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 8.241 -11.334 8.438 1.00 0.00 H new ATOM 1963 N GLY A 126 1.919 -10.623 6.565 1.00 0.00 N ATOM 1964 CA GLY A 126 1.606 -9.232 6.293 1.00 0.00 C ATOM 1965 C GLY A 126 2.646 -8.283 6.855 1.00 0.00 C ATOM 1966 O GLY A 126 3.244 -8.554 7.896 1.00 0.00 O ATOM 0 H GLY A 126 2.485 -11.083 5.851 1.00 0.00 H new ATOM 0 HA2 GLY A 126 1.528 -9.084 5.216 1.00 0.00 H new ATOM 0 HA3 GLY A 126 0.632 -8.992 6.719 1.00 0.00 H new ATOM 1970 N TRP A 127 2.862 -7.169 6.165 1.00 0.00 N ATOM 1971 CA TRP A 127 3.839 -6.178 6.601 1.00 0.00 C ATOM 1972 C TRP A 127 3.365 -4.766 6.272 1.00 0.00 C ATOM 1973 O TRP A 127 2.547 -4.568 5.373 1.00 0.00 O ATOM 1974 CB TRP A 127 5.193 -6.441 5.941 1.00 0.00 C ATOM 1975 CG TRP A 127 5.236 -6.048 4.495 1.00 0.00 C ATOM 1976 CD1 TRP A 127 5.499 -4.806 3.991 1.00 0.00 C ATOM 1977 CD2 TRP A 127 5.008 -6.901 3.368 1.00 0.00 C ATOM 1978 NE1 TRP A 127 5.448 -4.836 2.618 1.00 0.00 N ATOM 1979 CE2 TRP A 127 5.149 -6.109 2.212 1.00 0.00 C ATOM 1980 CE3 TRP A 127 4.700 -8.256 3.223 1.00 0.00 C ATOM 1981 CZ2 TRP A 127 4.991 -6.629 0.930 1.00 0.00 C ATOM 1982 CZ3 TRP A 127 4.543 -8.771 1.950 1.00 0.00 C ATOM 1983 CH2 TRP A 127 4.690 -7.960 0.817 1.00 0.00 C ATOM 0 H TRP A 127 2.374 -6.929 5.302 1.00 0.00 H new ATOM 0 HA TRP A 127 3.948 -6.263 7.682 1.00 0.00 H new ATOM 0 HB2 TRP A 127 5.965 -5.894 6.482 1.00 0.00 H new ATOM 0 HB3 TRP A 127 5.432 -7.501 6.029 1.00 0.00 H new ATOM 0 HD1 TRP A 127 5.715 -3.930 4.584 1.00 0.00 H new ATOM 0 HE1 TRP A 127 5.607 -4.039 2.001 1.00 0.00 H new ATOM 0 HE3 TRP A 127 4.587 -8.890 4.090 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 5.102 -6.005 0.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 4.303 -9.817 1.827 1.00 0.00 H new ATOM 0 HH2 TRP A 127 4.563 -8.393 -0.164 1.00 0.00 H new ATOM 1994 N THR A 128 3.884 -3.786 7.006 1.00 0.00 N ATOM 1995 CA THR A 128 3.513 -2.393 6.793 1.00 0.00 C ATOM 1996 C THR A 128 4.748 -1.507 6.677 1.00 0.00 C ATOM 1997 O THR A 128 5.660 -1.589 7.500 1.00 0.00 O ATOM 1998 CB THR A 128 2.623 -1.868 7.934 1.00 0.00 C ATOM 1999 OG1 THR A 128 1.410 -2.626 7.998 1.00 0.00 O ATOM 2000 CG2 THR A 128 2.297 -0.396 7.732 1.00 0.00 C ATOM 0 H THR A 128 4.563 -3.932 7.753 1.00 0.00 H new ATOM 0 HA THR A 128 2.953 -2.354 5.859 1.00 0.00 H new ATOM 0 HB THR A 128 3.169 -1.978 8.871 1.00 0.00 H new ATOM 0 HG1 THR A 128 0.850 -2.287 8.727 1.00 0.00 H new ATOM 0 HG21 THR A 128 1.667 -0.047 8.550 1.00 0.00 H new ATOM 0 HG22 THR A 128 3.221 0.182 7.713 1.00 0.00 H new ATOM 0 HG23 THR A 128 1.769 -0.267 6.787 1.00 0.00 H new ATOM 2008 N GLN A 129 4.770 -0.660 5.653 1.00 0.00 N ATOM 2009 CA GLN A 129 5.894 0.241 5.431 1.00 0.00 C ATOM 2010 C GLN A 129 5.495 1.395 4.517 1.00 0.00 C ATOM 2011 O GLN A 129 4.504 1.310 3.792 1.00 0.00 O ATOM 2012 CB GLN A 129 7.074 -0.520 4.825 1.00 0.00 C ATOM 2013 CG GLN A 129 6.915 -0.808 3.341 1.00 0.00 C ATOM 2014 CD GLN A 129 8.154 -1.434 2.732 1.00 0.00 C ATOM 2015 OE1 GLN A 129 8.286 -2.657 2.684 1.00 0.00 O ATOM 2016 NE2 GLN A 129 9.070 -0.596 2.261 1.00 0.00 N ATOM 0 H GLN A 129 4.022 -0.579 4.964 1.00 0.00 H new ATOM 0 HA GLN A 129 6.193 0.652 6.395 1.00 0.00 H new ATOM 0 HB2 GLN A 129 7.986 0.058 4.979 1.00 0.00 H new ATOM 0 HB3 GLN A 129 7.200 -1.462 5.358 1.00 0.00 H new ATOM 0 HG2 GLN A 129 6.066 -1.475 3.193 1.00 0.00 H new ATOM 0 HG3 GLN A 129 6.687 0.120 2.817 1.00 0.00 H new ATOM 0 HE21 GLN A 129 8.919 0.411 2.322 1.00 0.00 H new ATOM 0 HE22 GLN A 129 9.924 -0.959 1.839 1.00 0.00 H new ATOM 2025 N TRP A 130 6.272 2.471 4.557 1.00 0.00 N ATOM 2026 CA TRP A 130 5.999 3.642 3.732 1.00 0.00 C ATOM 2027 C TRP A 130 6.775 3.578 2.421 1.00 0.00 C ATOM 2028 O TRP A 130 7.999 3.713 2.407 1.00 0.00 O ATOM 2029 CB TRP A 130 6.359 4.921 4.490 1.00 0.00 C ATOM 2030 CG TRP A 130 5.324 5.327 5.495 1.00 0.00 C ATOM 2031 CD1 TRP A 130 5.283 4.981 6.815 1.00 0.00 C ATOM 2032 CD2 TRP A 130 4.180 6.155 5.260 1.00 0.00 C ATOM 2033 NE1 TRP A 130 4.182 5.543 7.415 1.00 0.00 N ATOM 2034 CE2 TRP A 130 3.489 6.269 6.482 1.00 0.00 C ATOM 2035 CE3 TRP A 130 3.672 6.812 4.136 1.00 0.00 C ATOM 2036 CZ2 TRP A 130 2.319 7.012 6.610 1.00 0.00 C ATOM 2037 CZ3 TRP A 130 2.510 7.550 4.264 1.00 0.00 C ATOM 2038 CH2 TRP A 130 1.845 7.646 5.493 1.00 0.00 C ATOM 0 H TRP A 130 7.096 2.557 5.152 1.00 0.00 H new ATOM 0 HA TRP A 130 4.934 3.652 3.502 1.00 0.00 H new ATOM 0 HB2 TRP A 130 7.312 4.777 4.999 1.00 0.00 H new ATOM 0 HB3 TRP A 130 6.498 5.732 3.775 1.00 0.00 H new ATOM 0 HD1 TRP A 130 6.009 4.357 7.314 1.00 0.00 H new ATOM 0 HE1 TRP A 130 3.923 5.437 8.396 1.00 0.00 H new ATOM 0 HE3 TRP A 130 4.178 6.744 3.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 1.804 7.086 7.556 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 2.108 8.061 3.402 1.00 0.00 H new ATOM 0 HH2 TRP A 130 0.940 8.232 5.561 1.00 0.00 H new ATOM 2049 N TYR A 131 6.057 3.371 1.323 1.00 0.00 N ATOM 2050 CA TYR A 131 6.680 3.286 0.008 1.00 0.00 C ATOM 2051 C TYR A 131 6.963 4.677 -0.551 1.00 0.00 C ATOM 2052 O TYR A 131 6.064 5.352 -1.053 1.00 0.00 O ATOM 2053 CB TYR A 131 5.781 2.511 -0.957 1.00 0.00 C ATOM 2054 CG TYR A 131 5.501 1.092 -0.515 1.00 0.00 C ATOM 2055 CD1 TYR A 131 6.532 0.256 -0.103 1.00 0.00 C ATOM 2056 CD2 TYR A 131 4.207 0.587 -0.510 1.00 0.00 C ATOM 2057 CE1 TYR A 131 6.281 -1.041 0.300 1.00 0.00 C ATOM 2058 CE2 TYR A 131 3.947 -0.708 -0.107 1.00 0.00 C ATOM 2059 CZ TYR A 131 4.987 -1.519 0.296 1.00 0.00 C ATOM 2060 OH TYR A 131 4.733 -2.810 0.698 1.00 0.00 O ATOM 0 H TYR A 131 5.043 3.259 1.318 1.00 0.00 H new ATOM 0 HA TYR A 131 7.627 2.757 0.117 1.00 0.00 H new ATOM 0 HB2 TYR A 131 4.835 3.042 -1.066 1.00 0.00 H new ATOM 0 HB3 TYR A 131 6.250 2.491 -1.941 1.00 0.00 H new ATOM 0 HD1 TYR A 131 7.546 0.627 -0.098 1.00 0.00 H new ATOM 0 HD2 TYR A 131 3.390 1.218 -0.827 1.00 0.00 H new ATOM 0 HE1 TYR A 131 7.094 -1.678 0.617 1.00 0.00 H new ATOM 0 HE2 TYR A 131 2.934 -1.084 -0.107 1.00 0.00 H new ATOM 0 HH TYR A 131 3.837 -2.860 1.092 1.00 0.00 H new ATOM 2070 N ASP A 132 8.220 5.099 -0.460 1.00 0.00 N ATOM 2071 CA ASP A 132 8.624 6.409 -0.958 1.00 0.00 C ATOM 2072 C ASP A 132 8.381 6.519 -2.460 1.00 0.00 C ATOM 2073 O ASP A 132 8.998 5.807 -3.253 1.00 0.00 O ATOM 2074 CB ASP A 132 10.100 6.662 -0.648 1.00 0.00 C ATOM 2075 CG ASP A 132 10.984 5.496 -1.046 1.00 0.00 C ATOM 2076 OD1 ASP A 132 11.271 5.353 -2.253 1.00 0.00 O ATOM 2077 OD2 ASP A 132 11.389 4.727 -0.149 1.00 0.00 O ATOM 0 H ASP A 132 8.976 4.553 -0.046 1.00 0.00 H new ATOM 0 HA ASP A 132 8.020 7.164 -0.455 1.00 0.00 H new ATOM 0 HB2 ASP A 132 10.430 7.559 -1.172 1.00 0.00 H new ATOM 0 HB3 ASP A 132 10.216 6.855 0.418 1.00 0.00 H new ATOM 2082 N LEU A 133 7.477 7.414 -2.844 1.00 0.00 N ATOM 2083 CA LEU A 133 7.151 7.616 -4.251 1.00 0.00 C ATOM 2084 C LEU A 133 8.367 8.114 -5.026 1.00 0.00 C ATOM 2085 O LEU A 133 9.082 9.008 -4.573 1.00 0.00 O ATOM 2086 CB LEU A 133 6.000 8.615 -4.389 1.00 0.00 C ATOM 2087 CG LEU A 133 4.645 8.156 -3.850 1.00 0.00 C ATOM 2088 CD1 LEU A 133 3.748 9.352 -3.572 1.00 0.00 C ATOM 2089 CD2 LEU A 133 3.976 7.202 -4.829 1.00 0.00 C ATOM 0 H LEU A 133 6.957 8.011 -2.201 1.00 0.00 H new ATOM 0 HA LEU A 133 6.845 6.657 -4.669 1.00 0.00 H new ATOM 0 HB2 LEU A 133 6.280 9.535 -3.876 1.00 0.00 H new ATOM 0 HB3 LEU A 133 5.884 8.862 -5.444 1.00 0.00 H new ATOM 0 HG LEU A 133 4.810 7.626 -2.912 1.00 0.00 H new ATOM 0 HD11 LEU A 133 2.788 9.006 -3.189 1.00 0.00 H new ATOM 0 HD12 LEU A 133 4.222 9.998 -2.833 1.00 0.00 H new ATOM 0 HD13 LEU A 133 3.590 9.911 -4.495 1.00 0.00 H new ATOM 0 HD21 LEU A 133 3.013 6.886 -4.428 1.00 0.00 H new ATOM 0 HD22 LEU A 133 3.824 7.707 -5.783 1.00 0.00 H new ATOM 0 HD23 LEU A 133 4.611 6.329 -4.978 1.00 0.00 H new ATOM 2101 N THR A 134 8.594 7.531 -6.198 1.00 0.00 N ATOM 2102 CA THR A 134 9.723 7.915 -7.037 1.00 0.00 C ATOM 2103 C THR A 134 9.259 8.315 -8.433 1.00 0.00 C ATOM 2104 O THR A 134 8.091 8.144 -8.781 1.00 0.00 O ATOM 2105 CB THR A 134 10.748 6.772 -7.157 1.00 0.00 C ATOM 2106 OG1 THR A 134 10.177 5.674 -7.876 1.00 0.00 O ATOM 2107 CG2 THR A 134 11.201 6.305 -5.782 1.00 0.00 C ATOM 0 H THR A 134 8.011 6.791 -6.588 1.00 0.00 H new ATOM 0 HA THR A 134 10.198 8.770 -6.556 1.00 0.00 H new ATOM 0 HB THR A 134 11.616 7.148 -7.700 1.00 0.00 H new ATOM 0 HG1 THR A 134 10.836 4.953 -7.949 1.00 0.00 H new ATOM 0 HG21 THR A 134 11.925 5.497 -5.892 1.00 0.00 H new ATOM 0 HG22 THR A 134 11.663 7.136 -5.249 1.00 0.00 H new ATOM 0 HG23 THR A 134 10.340 5.946 -5.218 1.00 0.00 H new ATOM 2115 N GLU A 135 10.182 8.846 -9.229 1.00 0.00 N ATOM 2116 CA GLU A 135 9.865 9.270 -10.588 1.00 0.00 C ATOM 2117 C GLU A 135 9.618 8.064 -11.490 1.00 0.00 C ATOM 2118 O GLU A 135 9.952 6.933 -11.137 1.00 0.00 O ATOM 2119 CB GLU A 135 11.001 10.123 -11.157 1.00 0.00 C ATOM 2120 CG GLU A 135 10.962 11.571 -10.701 1.00 0.00 C ATOM 2121 CD GLU A 135 11.885 12.462 -11.509 1.00 0.00 C ATOM 2122 OE1 GLU A 135 11.483 12.891 -12.611 1.00 0.00 O ATOM 2123 OE2 GLU A 135 13.011 12.731 -11.038 1.00 0.00 O ATOM 0 H GLU A 135 11.154 8.993 -8.957 1.00 0.00 H new ATOM 0 HA GLU A 135 8.954 9.868 -10.553 1.00 0.00 H new ATOM 0 HB2 GLU A 135 11.955 9.684 -10.864 1.00 0.00 H new ATOM 0 HB3 GLU A 135 10.957 10.092 -12.246 1.00 0.00 H new ATOM 0 HG2 GLU A 135 9.941 11.945 -10.779 1.00 0.00 H new ATOM 0 HG3 GLU A 135 11.241 11.624 -9.649 1.00 0.00 H new ATOM 2130 N ASP A 136 9.031 8.315 -12.655 1.00 0.00 N ATOM 2131 CA ASP A 136 8.739 7.251 -13.609 1.00 0.00 C ATOM 2132 C ASP A 136 10.027 6.644 -14.156 1.00 0.00 C ATOM 2133 O ASP A 136 10.927 7.362 -14.593 1.00 0.00 O ATOM 2134 CB ASP A 136 7.885 7.788 -14.758 1.00 0.00 C ATOM 2135 CG ASP A 136 8.641 8.769 -15.633 1.00 0.00 C ATOM 2136 OD1 ASP A 136 9.580 9.415 -15.124 1.00 0.00 O ATOM 2137 OD2 ASP A 136 8.293 8.891 -16.826 1.00 0.00 O ATOM 0 H ASP A 136 8.748 9.246 -12.962 1.00 0.00 H new ATOM 0 HA ASP A 136 8.184 6.471 -13.088 1.00 0.00 H new ATOM 0 HB2 ASP A 136 7.537 6.955 -15.368 1.00 0.00 H new ATOM 0 HB3 ASP A 136 7.000 8.276 -14.351 1.00 0.00 H new ATOM 2142 N SER A 137 10.108 5.318 -14.129 1.00 0.00 N ATOM 2143 CA SER A 137 11.288 4.614 -14.618 1.00 0.00 C ATOM 2144 C SER A 137 10.907 3.591 -15.684 1.00 0.00 C ATOM 2145 O SER A 137 10.024 2.759 -15.475 1.00 0.00 O ATOM 2146 CB SER A 137 12.008 3.918 -13.461 1.00 0.00 C ATOM 2147 OG SER A 137 12.738 4.849 -12.681 1.00 0.00 O ATOM 0 H SER A 137 9.371 4.709 -13.774 1.00 0.00 H new ATOM 0 HA SER A 137 11.959 5.347 -15.066 1.00 0.00 H new ATOM 0 HB2 SER A 137 11.281 3.404 -12.833 1.00 0.00 H new ATOM 0 HB3 SER A 137 12.684 3.158 -13.854 1.00 0.00 H new ATOM 0 HG SER A 137 13.187 4.380 -11.947 1.00 0.00 H new ATOM 2153 N GLY A 138 11.580 3.659 -16.828 1.00 0.00 N ATOM 2154 CA GLY A 138 11.299 2.734 -17.911 1.00 0.00 C ATOM 2155 C GLY A 138 10.341 3.313 -18.933 1.00 0.00 C ATOM 2156 O GLY A 138 9.137 3.059 -18.900 1.00 0.00 O ATOM 0 H GLY A 138 12.315 4.338 -17.025 1.00 0.00 H new ATOM 0 HA2 GLY A 138 12.232 2.463 -18.405 1.00 0.00 H new ATOM 0 HA3 GLY A 138 10.877 1.816 -17.501 1.00 0.00 H new ATOM 2160 N PRO A 139 10.878 4.112 -19.867 1.00 0.00 N ATOM 2161 CA PRO A 139 10.079 4.746 -20.920 1.00 0.00 C ATOM 2162 C PRO A 139 9.560 3.738 -21.941 1.00 0.00 C ATOM 2163 O PRO A 139 8.500 3.931 -22.535 1.00 0.00 O ATOM 2164 CB PRO A 139 11.065 5.714 -21.579 1.00 0.00 C ATOM 2165 CG PRO A 139 12.408 5.129 -21.309 1.00 0.00 C ATOM 2166 CD PRO A 139 12.305 4.458 -19.967 1.00 0.00 C ATOM 0 HA PRO A 139 9.188 5.230 -20.520 1.00 0.00 H new ATOM 0 HB2 PRO A 139 10.879 5.801 -22.649 1.00 0.00 H new ATOM 0 HB3 PRO A 139 10.978 6.716 -21.158 1.00 0.00 H new ATOM 0 HG2 PRO A 139 12.685 4.413 -22.083 1.00 0.00 H new ATOM 0 HG3 PRO A 139 13.176 5.902 -21.301 1.00 0.00 H new ATOM 0 HD2 PRO A 139 12.938 3.572 -19.911 1.00 0.00 H new ATOM 0 HD3 PRO A 139 12.615 5.123 -19.161 1.00 0.00 H new ATOM 2174 N SER A 140 10.315 2.662 -22.138 1.00 0.00 N ATOM 2175 CA SER A 140 9.933 1.624 -23.090 1.00 0.00 C ATOM 2176 C SER A 140 8.691 0.878 -22.610 1.00 0.00 C ATOM 2177 O SER A 140 8.328 0.946 -21.436 1.00 0.00 O ATOM 2178 CB SER A 140 11.086 0.640 -23.294 1.00 0.00 C ATOM 2179 OG SER A 140 11.343 -0.097 -22.111 1.00 0.00 O ATOM 0 H SER A 140 11.194 2.486 -21.652 1.00 0.00 H new ATOM 0 HA SER A 140 9.703 2.104 -24.041 1.00 0.00 H new ATOM 0 HB2 SER A 140 10.845 -0.044 -24.107 1.00 0.00 H new ATOM 0 HB3 SER A 140 11.984 1.183 -23.590 1.00 0.00 H new ATOM 0 HG SER A 140 12.083 -0.720 -22.268 1.00 0.00 H new ATOM 2185 N SER A 141 8.045 0.166 -23.528 1.00 0.00 N ATOM 2186 CA SER A 141 6.842 -0.590 -23.201 1.00 0.00 C ATOM 2187 C SER A 141 7.165 -2.069 -23.014 1.00 0.00 C ATOM 2188 O SER A 141 7.286 -2.818 -23.983 1.00 0.00 O ATOM 2189 CB SER A 141 5.793 -0.421 -24.302 1.00 0.00 C ATOM 2190 OG SER A 141 6.281 -0.888 -25.547 1.00 0.00 O ATOM 0 H SER A 141 8.335 0.097 -24.504 1.00 0.00 H new ATOM 0 HA SER A 141 6.441 -0.202 -22.265 1.00 0.00 H new ATOM 0 HB2 SER A 141 4.889 -0.968 -24.034 1.00 0.00 H new ATOM 0 HB3 SER A 141 5.517 0.630 -24.387 1.00 0.00 H new ATOM 0 HG SER A 141 6.752 -1.738 -25.416 1.00 0.00 H new ATOM 2196 N GLY A 142 7.303 -2.484 -21.758 1.00 0.00 N ATOM 2197 CA GLY A 142 7.611 -3.872 -21.465 1.00 0.00 C ATOM 2198 C GLY A 142 8.034 -4.080 -20.024 1.00 0.00 C ATOM 2199 O GLY A 142 9.136 -3.697 -19.633 1.00 0.00 O ATOM 0 H GLY A 142 7.207 -1.884 -20.939 1.00 0.00 H new ATOM 0 HA2 GLY A 142 6.737 -4.487 -21.676 1.00 0.00 H new ATOM 0 HA3 GLY A 142 8.407 -4.212 -22.127 1.00 0.00 H new TER 2203 GLY A 142