USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 872 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 15 TYR OH : rot 165:sc= 0 USER MOD Set 1.2: A 94 GLN : amide:sc= -1.85 X(o=-1.9,f=-1.9) USER MOD Set 2.1: A 49 GLN : amide:sc= -3.22! C(o=-6.2!,f=-4.4!) USER MOD Set 2.2: A 64 SER OG : rot 150:sc= -2.99! USER MOD Set 3.1: A 44 SER OG : rot 140:sc= 0.913 USER MOD Set 3.2: A 131 LYS NZ :NH3+ -170:sc= 1.25 (180deg=0.126) USER MOD Single : A 8 TYR OH : rot 180:sc=-0.00734 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 CYS SG : rot 27:sc= 0.0027 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -163:sc= -6.43! (180deg=-7.74!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0.00633 K(o=0.0063,f=-1.1) USER MOD Single : A 57 CYS SG : rot 54:sc= -0.666 USER MOD Single : A 58 MET CE :methyl 147:sc= -0.224 (180deg=-0.849) USER MOD Single : A 60 SER OG : rot 16:sc= -0.117 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 178:sc= 0.729 USER MOD Single : A 68 CYS SG : rot -69:sc= -6.99! USER MOD Single : A 71 LYS NZ :NH3+ -171:sc= 0.0658 (180deg=-0.0772) USER MOD Single : A 77 SER OG : rot -140:sc= -0.906 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot -170:sc= 1.22 USER MOD Single : A 98 ASN : amide:sc= -0.0183 X(o=-0.018,f=-0.12) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 TYR OH : rot -155:sc= 0.444 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 51:sc= 0.493 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 HIS : no HE2:sc= -3.75 X(o=-3.7,f=-4.1) USER MOD Single : A 111 THR OG1 : rot 180:sc= -0.307 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 CYS SG : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= -0.361 K(o=-0.36,f=-2.4) USER MOD Single : A 122 ASN : amide:sc= -4.48 K(o=-4.5,f=-12!) USER MOD Single : A 125 ASN : amide:sc= -0.372 X(o=-0.37,f=-0.38) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 THR OG1 : rot -100:sc= -1.79 USER MOD ----------------------------------------------------------------- ATOM 13 N LEU A 2 -6.723 17.341 10.357 1.00 0.00 N ATOM 14 CA LEU A 2 -6.105 16.069 10.026 1.00 0.00 C ATOM 15 C LEU A 2 -6.041 15.196 11.281 1.00 0.00 C ATOM 16 O LEU A 2 -6.119 15.702 12.398 1.00 0.00 O ATOM 17 CB LEU A 2 -4.745 16.290 9.361 1.00 0.00 C ATOM 18 CG LEU A 2 -4.775 16.913 7.964 1.00 0.00 C ATOM 19 CD1 LEU A 2 -4.522 18.421 8.031 1.00 0.00 C ATOM 20 CD2 LEU A 2 -3.790 16.208 7.028 1.00 0.00 C ATOM 0 HA LEU A 2 -6.708 15.532 9.294 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -4.145 16.929 10.009 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -4.233 15.330 9.298 1.00 0.00 H new ATOM 0 HG LEU A 2 -5.773 16.771 7.548 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -4.549 18.839 7.025 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -5.293 18.893 8.641 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -3.544 18.606 8.475 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -3.831 16.670 6.042 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -2.780 16.297 7.429 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -4.056 15.154 6.946 1.00 0.00 H new ATOM 32 N PRO A 3 -5.897 13.863 11.047 1.00 0.00 N ATOM 33 CA PRO A 3 -5.821 12.915 12.145 1.00 0.00 C ATOM 34 C PRO A 3 -4.455 12.977 12.832 1.00 0.00 C ATOM 35 O PRO A 3 -3.474 13.413 12.230 1.00 0.00 O ATOM 36 CB PRO A 3 -6.108 11.561 11.517 1.00 0.00 C ATOM 37 CG PRO A 3 -5.874 11.737 10.025 1.00 0.00 C ATOM 38 CD PRO A 3 -5.802 13.227 9.736 1.00 0.00 C ATOM 0 HA PRO A 3 -6.538 13.132 12.937 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -5.452 10.793 11.927 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.132 11.246 11.718 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -4.950 11.245 9.723 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -6.681 11.276 9.455 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -4.870 13.489 9.235 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -6.615 13.543 9.082 1.00 0.00 H new ATOM 46 N PRO A 4 -4.435 12.525 14.114 1.00 0.00 N ATOM 47 CA PRO A 4 -3.206 12.526 14.889 1.00 0.00 C ATOM 48 C PRO A 4 -2.274 11.398 14.439 1.00 0.00 C ATOM 49 O PRO A 4 -2.721 10.277 14.199 1.00 0.00 O ATOM 50 CB PRO A 4 -3.652 12.387 16.335 1.00 0.00 C ATOM 51 CG PRO A 4 -5.073 11.848 16.283 1.00 0.00 C ATOM 52 CD PRO A 4 -5.578 12.002 14.858 1.00 0.00 C ATOM 0 HA PRO A 4 -2.623 13.437 14.753 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -2.997 11.709 16.882 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -3.617 13.348 16.849 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -5.095 10.801 16.585 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -5.714 12.393 16.976 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -5.912 11.048 14.451 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -6.427 12.684 14.810 1.00 0.00 H new ATOM 60 N PRO A 5 -0.963 11.743 14.337 1.00 0.00 N ATOM 61 CA PRO A 5 0.036 10.773 13.921 1.00 0.00 C ATOM 62 C PRO A 5 0.347 9.789 15.049 1.00 0.00 C ATOM 63 O PRO A 5 0.605 10.196 16.181 1.00 0.00 O ATOM 64 CB PRO A 5 1.241 11.602 13.506 1.00 0.00 C ATOM 65 CG PRO A 5 1.043 12.969 14.140 1.00 0.00 C ATOM 66 CD PRO A 5 -0.397 13.061 14.612 1.00 0.00 C ATOM 0 HA PRO A 5 -0.303 10.147 13.095 1.00 0.00 H new ATOM 0 HB2 PRO A 5 2.168 11.143 13.849 1.00 0.00 H new ATOM 0 HB3 PRO A 5 1.306 11.680 12.421 1.00 0.00 H new ATOM 0 HG2 PRO A 5 1.728 13.104 14.977 1.00 0.00 H new ATOM 0 HG3 PRO A 5 1.260 13.758 13.420 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -0.451 13.301 15.674 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -0.939 13.843 14.080 1.00 0.00 H new ATOM 74 N GLU A 6 0.313 8.510 14.703 1.00 0.00 N ATOM 75 CA GLU A 6 0.589 7.464 15.673 1.00 0.00 C ATOM 76 C GLU A 6 2.084 7.143 15.698 1.00 0.00 C ATOM 77 O GLU A 6 2.702 6.963 14.648 1.00 0.00 O ATOM 78 CB GLU A 6 -0.236 6.210 15.376 1.00 0.00 C ATOM 79 CG GLU A 6 -0.185 5.859 13.888 1.00 0.00 C ATOM 80 CD GLU A 6 -0.177 4.343 13.682 1.00 0.00 C ATOM 81 OE1 GLU A 6 0.704 3.693 14.286 1.00 0.00 O ATOM 82 OE2 GLU A 6 -1.051 3.868 12.925 1.00 0.00 O ATOM 0 H GLU A 6 0.098 8.175 13.764 1.00 0.00 H new ATOM 0 HA GLU A 6 0.299 7.825 16.660 1.00 0.00 H new ATOM 0 HB2 GLU A 6 0.143 5.374 15.964 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -1.270 6.371 15.680 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -1.045 6.294 13.378 1.00 0.00 H new ATOM 0 HG3 GLU A 6 0.707 6.295 13.438 1.00 0.00 H new ATOM 89 N PRO A 7 2.639 7.079 16.937 1.00 0.00 N ATOM 90 CA PRO A 7 4.050 6.783 17.112 1.00 0.00 C ATOM 91 C PRO A 7 4.333 5.299 16.871 1.00 0.00 C ATOM 92 O PRO A 7 3.792 4.439 17.564 1.00 0.00 O ATOM 93 CB PRO A 7 4.373 7.226 18.530 1.00 0.00 C ATOM 94 CG PRO A 7 3.038 7.322 19.250 1.00 0.00 C ATOM 95 CD PRO A 7 1.938 7.285 18.201 1.00 0.00 C ATOM 0 HA PRO A 7 4.681 7.305 16.393 1.00 0.00 H new ATOM 0 HB2 PRO A 7 5.032 6.511 19.022 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.888 8.187 18.531 1.00 0.00 H new ATOM 0 HG2 PRO A 7 2.923 6.497 19.953 1.00 0.00 H new ATOM 0 HG3 PRO A 7 2.982 8.244 19.829 1.00 0.00 H new ATOM 0 HD2 PRO A 7 1.230 6.480 18.397 1.00 0.00 H new ATOM 0 HD3 PRO A 7 1.368 8.214 18.191 1.00 0.00 H new ATOM 103 N TYR A 8 5.181 5.043 15.886 1.00 0.00 N ATOM 104 CA TYR A 8 5.543 3.678 15.544 1.00 0.00 C ATOM 105 C TYR A 8 6.955 3.347 16.030 1.00 0.00 C ATOM 106 O TYR A 8 7.909 4.050 15.701 1.00 0.00 O ATOM 107 CB TYR A 8 5.510 3.602 14.016 1.00 0.00 C ATOM 108 CG TYR A 8 4.788 2.369 13.469 1.00 0.00 C ATOM 109 CD1 TYR A 8 3.411 2.354 13.389 1.00 0.00 C ATOM 110 CD2 TYR A 8 5.516 1.271 13.055 1.00 0.00 C ATOM 111 CE1 TYR A 8 2.732 1.193 12.875 1.00 0.00 C ATOM 112 CE2 TYR A 8 4.837 0.111 12.540 1.00 0.00 C ATOM 113 CZ TYR A 8 3.478 0.129 12.476 1.00 0.00 C ATOM 114 OH TYR A 8 2.837 -0.968 11.989 1.00 0.00 O ATOM 0 H TYR A 8 5.628 5.759 15.313 1.00 0.00 H new ATOM 0 HA TYR A 8 4.858 2.971 16.012 1.00 0.00 H new ATOM 0 HB2 TYR A 8 5.023 4.497 13.629 1.00 0.00 H new ATOM 0 HB3 TYR A 8 6.533 3.608 13.640 1.00 0.00 H new ATOM 0 HD1 TYR A 8 2.842 3.213 13.712 1.00 0.00 H new ATOM 0 HD2 TYR A 8 6.594 1.283 13.118 1.00 0.00 H new ATOM 0 HE1 TYR A 8 1.654 1.168 12.808 1.00 0.00 H new ATOM 0 HE2 TYR A 8 5.394 -0.754 12.212 1.00 0.00 H new ATOM 0 HH TYR A 8 3.497 -1.649 11.742 1.00 0.00 H new ATOM 207 N SER A 14 7.515 -9.287 7.658 1.00 0.00 N ATOM 208 CA SER A 14 7.895 -10.371 6.767 1.00 0.00 C ATOM 209 C SER A 14 7.033 -10.334 5.502 1.00 0.00 C ATOM 210 O SER A 14 5.808 -10.423 5.579 1.00 0.00 O ATOM 211 CB SER A 14 7.761 -11.727 7.460 1.00 0.00 C ATOM 212 OG SER A 14 8.847 -11.983 8.346 1.00 0.00 O ATOM 0 HA SER A 14 8.941 -10.237 6.492 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.824 -11.759 8.016 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.713 -12.515 6.709 1.00 0.00 H new ATOM 0 HG SER A 14 8.724 -12.858 8.770 1.00 0.00 H new ATOM 218 N TYR A 15 7.707 -10.202 4.370 1.00 0.00 N ATOM 219 CA TYR A 15 7.018 -10.152 3.091 1.00 0.00 C ATOM 220 C TYR A 15 6.971 -11.535 2.439 1.00 0.00 C ATOM 221 O TYR A 15 7.910 -12.319 2.570 1.00 0.00 O ATOM 222 CB TYR A 15 7.840 -9.212 2.206 1.00 0.00 C ATOM 223 CG TYR A 15 7.759 -7.741 2.619 1.00 0.00 C ATOM 224 CD1 TYR A 15 8.188 -7.352 3.872 1.00 0.00 C ATOM 225 CD2 TYR A 15 7.260 -6.803 1.738 1.00 0.00 C ATOM 226 CE1 TYR A 15 8.113 -5.967 4.260 1.00 0.00 C ATOM 227 CE2 TYR A 15 7.184 -5.418 2.127 1.00 0.00 C ATOM 228 CZ TYR A 15 7.615 -5.069 3.369 1.00 0.00 C ATOM 229 OH TYR A 15 7.544 -3.762 3.736 1.00 0.00 O ATOM 0 H TYR A 15 8.723 -10.128 4.311 1.00 0.00 H new ATOM 0 HA TYR A 15 5.991 -9.812 3.222 1.00 0.00 H new ATOM 0 HB2 TYR A 15 8.883 -9.528 2.228 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.499 -9.309 1.175 1.00 0.00 H new ATOM 0 HD1 TYR A 15 8.580 -8.086 4.561 1.00 0.00 H new ATOM 0 HD2 TYR A 15 6.926 -7.107 0.757 1.00 0.00 H new ATOM 0 HE1 TYR A 15 8.445 -5.649 5.237 1.00 0.00 H new ATOM 0 HE2 TYR A 15 6.794 -4.674 1.448 1.00 0.00 H new ATOM 0 HH TYR A 15 7.401 -3.206 2.941 1.00 0.00 H new ATOM 239 N PRO A 16 5.840 -11.799 1.732 1.00 0.00 N ATOM 240 CA PRO A 16 5.659 -13.074 1.060 1.00 0.00 C ATOM 241 C PRO A 16 6.511 -13.152 -0.209 1.00 0.00 C ATOM 242 O PRO A 16 7.226 -14.129 -0.422 1.00 0.00 O ATOM 243 CB PRO A 16 4.167 -13.163 0.779 1.00 0.00 C ATOM 244 CG PRO A 16 3.639 -11.741 0.884 1.00 0.00 C ATOM 245 CD PRO A 16 4.708 -10.895 1.555 1.00 0.00 C ATOM 0 HA PRO A 16 5.988 -13.918 1.666 1.00 0.00 H new ATOM 0 HB2 PRO A 16 3.980 -13.577 -0.212 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.672 -13.818 1.497 1.00 0.00 H new ATOM 0 HG2 PRO A 16 3.405 -11.347 -0.105 1.00 0.00 H new ATOM 0 HG3 PRO A 16 2.716 -11.719 1.463 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.979 -10.038 0.939 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.361 -10.504 2.511 1.00 0.00 H new ATOM 253 N SER A 17 6.407 -12.108 -1.018 1.00 0.00 N ATOM 254 CA SER A 17 7.159 -12.045 -2.259 1.00 0.00 C ATOM 255 C SER A 17 8.660 -12.046 -1.963 1.00 0.00 C ATOM 256 O SER A 17 9.474 -12.256 -2.860 1.00 0.00 O ATOM 257 CB SER A 17 6.780 -10.805 -3.071 1.00 0.00 C ATOM 258 OG SER A 17 7.197 -9.601 -2.433 1.00 0.00 O ATOM 0 H SER A 17 5.813 -11.299 -0.838 1.00 0.00 H new ATOM 0 HA SER A 17 6.911 -12.925 -2.853 1.00 0.00 H new ATOM 0 HB2 SER A 17 7.234 -10.867 -4.060 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.700 -10.783 -3.216 1.00 0.00 H new ATOM 0 HG SER A 17 6.938 -8.833 -2.983 1.00 0.00 H new ATOM 264 N LYS A 18 8.981 -11.809 -0.699 1.00 0.00 N ATOM 265 CA LYS A 18 10.370 -11.780 -0.272 1.00 0.00 C ATOM 266 C LYS A 18 10.499 -12.487 1.078 1.00 0.00 C ATOM 267 O LYS A 18 11.073 -11.939 2.017 1.00 0.00 O ATOM 268 CB LYS A 18 10.899 -10.344 -0.268 1.00 0.00 C ATOM 269 CG LYS A 18 12.367 -10.300 -0.696 1.00 0.00 C ATOM 270 CD LYS A 18 13.028 -8.992 -0.254 1.00 0.00 C ATOM 271 CE LYS A 18 14.542 -9.046 -0.461 1.00 0.00 C ATOM 272 NZ LYS A 18 14.995 -7.893 -1.271 1.00 0.00 N ATOM 0 H LYS A 18 8.303 -11.635 0.043 1.00 0.00 H new ATOM 0 HA LYS A 18 10.997 -12.324 -0.978 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.301 -9.730 -0.942 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.794 -9.917 0.729 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.901 -11.146 -0.263 1.00 0.00 H new ATOM 0 HG3 LYS A 18 12.437 -10.399 -1.779 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.609 -8.160 -0.820 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.807 -8.806 0.797 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.048 -9.041 0.505 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.814 -9.977 -0.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.025 -7.945 -1.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.526 -7.915 -2.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.752 -7.008 -0.781 1.00 0.00 H new ATOM 597 N CYS A 40 0.334 -7.930 -13.817 1.00 0.00 N ATOM 598 CA CYS A 40 -0.266 -7.592 -12.538 1.00 0.00 C ATOM 599 C CYS A 40 -1.706 -7.138 -12.787 1.00 0.00 C ATOM 600 O CYS A 40 -1.978 -6.429 -13.755 1.00 0.00 O ATOM 601 CB CYS A 40 0.546 -6.528 -11.795 1.00 0.00 C ATOM 602 SG CYS A 40 2.299 -7.041 -11.688 1.00 0.00 S ATOM 0 HA CYS A 40 -0.269 -8.470 -11.892 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.469 -5.572 -12.313 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.140 -6.381 -10.794 1.00 0.00 H new ATOM 0 HG CYS A 40 2.580 -7.834 -12.679 1.00 0.00 H new ATOM 608 N VAL A 41 -2.590 -7.566 -11.898 1.00 0.00 N ATOM 609 CA VAL A 41 -3.995 -7.212 -12.010 1.00 0.00 C ATOM 610 C VAL A 41 -4.258 -5.928 -11.221 1.00 0.00 C ATOM 611 O VAL A 41 -3.821 -5.797 -10.079 1.00 0.00 O ATOM 612 CB VAL A 41 -4.867 -8.384 -11.554 1.00 0.00 C ATOM 613 CG1 VAL A 41 -6.320 -7.945 -11.364 1.00 0.00 C ATOM 614 CG2 VAL A 41 -4.772 -9.553 -12.535 1.00 0.00 C ATOM 0 H VAL A 41 -2.361 -8.155 -11.097 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.258 -7.014 -13.049 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.491 -8.725 -10.589 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.918 -8.797 -11.040 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.367 -7.160 -10.609 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.712 -7.565 -12.308 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.401 -10.372 -12.187 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.109 -9.230 -13.520 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.738 -9.892 -12.599 1.00 0.00 H new ATOM 624 N THR A 42 -4.972 -5.014 -11.861 1.00 0.00 N ATOM 625 CA THR A 42 -5.298 -3.745 -11.234 1.00 0.00 C ATOM 626 C THR A 42 -6.752 -3.744 -10.757 1.00 0.00 C ATOM 627 O THR A 42 -7.617 -4.348 -11.391 1.00 0.00 O ATOM 628 CB THR A 42 -4.986 -2.629 -12.232 1.00 0.00 C ATOM 629 OG1 THR A 42 -3.614 -2.829 -12.559 1.00 0.00 O ATOM 630 CG2 THR A 42 -5.017 -1.241 -11.589 1.00 0.00 C ATOM 0 H THR A 42 -5.334 -5.127 -12.808 1.00 0.00 H new ATOM 0 HA THR A 42 -4.695 -3.579 -10.341 1.00 0.00 H new ATOM 0 HB THR A 42 -5.704 -2.665 -13.051 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.329 -2.148 -13.204 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.789 -0.486 -12.342 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.008 -1.053 -11.176 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.276 -1.193 -10.791 1.00 0.00 H new ATOM 638 N MET A 43 -6.976 -3.060 -9.645 1.00 0.00 N ATOM 639 CA MET A 43 -8.311 -2.973 -9.076 1.00 0.00 C ATOM 640 C MET A 43 -8.978 -1.646 -9.444 1.00 0.00 C ATOM 641 O MET A 43 -9.914 -1.618 -10.242 1.00 0.00 O ATOM 642 CB MET A 43 -8.225 -3.097 -7.553 1.00 0.00 C ATOM 643 CG MET A 43 -8.025 -4.554 -7.132 1.00 0.00 C ATOM 644 SD MET A 43 -9.596 -5.284 -6.697 1.00 0.00 S ATOM 645 CE MET A 43 -10.022 -4.282 -5.282 1.00 0.00 C ATOM 0 H MET A 43 -6.256 -2.561 -9.123 1.00 0.00 H new ATOM 0 HA MET A 43 -8.913 -3.785 -9.482 1.00 0.00 H new ATOM 0 HB2 MET A 43 -7.399 -2.491 -7.181 1.00 0.00 H new ATOM 0 HB3 MET A 43 -9.136 -2.706 -7.101 1.00 0.00 H new ATOM 0 HG2 MET A 43 -7.566 -5.116 -7.945 1.00 0.00 H new ATOM 0 HG3 MET A 43 -7.343 -4.606 -6.283 1.00 0.00 H new ATOM 0 HE1 MET A 43 -10.804 -4.778 -4.707 1.00 0.00 H new ATOM 0 HE2 MET A 43 -9.141 -4.146 -4.654 1.00 0.00 H new ATOM 0 HE3 MET A 43 -10.380 -3.310 -5.619 1.00 0.00 H new ATOM 655 N SER A 44 -8.470 -0.579 -8.844 1.00 0.00 N ATOM 656 CA SER A 44 -9.006 0.747 -9.100 1.00 0.00 C ATOM 657 C SER A 44 -7.902 1.795 -8.944 1.00 0.00 C ATOM 658 O SER A 44 -6.794 1.477 -8.516 1.00 0.00 O ATOM 659 CB SER A 44 -10.172 1.061 -8.161 1.00 0.00 C ATOM 660 OG SER A 44 -10.919 2.193 -8.596 1.00 0.00 O ATOM 0 H SER A 44 -7.694 -0.606 -8.182 1.00 0.00 H new ATOM 0 HA SER A 44 -9.382 0.773 -10.123 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.830 0.195 -8.099 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.789 1.243 -7.157 1.00 0.00 H new ATOM 0 HG SER A 44 -11.875 2.026 -8.460 1.00 0.00 H new ATOM 666 N SER A 45 -8.244 3.025 -9.300 1.00 0.00 N ATOM 667 CA SER A 45 -7.296 4.123 -9.205 1.00 0.00 C ATOM 668 C SER A 45 -7.923 5.291 -8.441 1.00 0.00 C ATOM 669 O SER A 45 -9.039 5.709 -8.745 1.00 0.00 O ATOM 670 CB SER A 45 -6.841 4.579 -10.592 1.00 0.00 C ATOM 671 OG SER A 45 -7.821 5.386 -11.238 1.00 0.00 O ATOM 0 H SER A 45 -9.164 3.286 -9.655 1.00 0.00 H new ATOM 0 HA SER A 45 -6.419 3.771 -8.662 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.911 5.141 -10.502 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.627 3.706 -11.208 1.00 0.00 H new ATOM 0 HG SER A 45 -7.491 5.658 -12.120 1.00 0.00 H new ATOM 677 N ALA A 46 -7.177 5.786 -7.464 1.00 0.00 N ATOM 678 CA ALA A 46 -7.647 6.898 -6.655 1.00 0.00 C ATOM 679 C ALA A 46 -6.474 7.835 -6.356 1.00 0.00 C ATOM 680 O ALA A 46 -5.489 7.427 -5.742 1.00 0.00 O ATOM 681 CB ALA A 46 -8.304 6.361 -5.381 1.00 0.00 C ATOM 0 H ALA A 46 -6.251 5.438 -7.215 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.401 7.473 -7.193 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.657 7.195 -4.774 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.147 5.724 -5.647 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.576 5.781 -4.813 1.00 0.00 H new ATOM 687 N VAL A 47 -6.620 9.073 -6.802 1.00 0.00 N ATOM 688 CA VAL A 47 -5.586 10.072 -6.590 1.00 0.00 C ATOM 689 C VAL A 47 -5.519 10.423 -5.103 1.00 0.00 C ATOM 690 O VAL A 47 -6.477 10.959 -4.545 1.00 0.00 O ATOM 691 CB VAL A 47 -5.842 11.288 -7.481 1.00 0.00 C ATOM 692 CG1 VAL A 47 -4.822 12.395 -7.207 1.00 0.00 C ATOM 693 CG2 VAL A 47 -5.841 10.896 -8.960 1.00 0.00 C ATOM 0 H VAL A 47 -7.439 9.408 -7.310 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.610 9.678 -6.875 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.831 11.677 -7.238 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.028 13.248 -7.854 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.893 12.705 -6.165 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.818 12.022 -7.407 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.025 11.780 -9.571 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.873 10.469 -9.223 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.624 10.160 -9.142 1.00 0.00 H new ATOM 703 N VAL A 48 -4.382 10.108 -4.503 1.00 0.00 N ATOM 704 CA VAL A 48 -4.178 10.384 -3.091 1.00 0.00 C ATOM 705 C VAL A 48 -2.788 10.991 -2.889 1.00 0.00 C ATOM 706 O VAL A 48 -1.947 10.937 -3.785 1.00 0.00 O ATOM 707 CB VAL A 48 -4.399 9.110 -2.273 1.00 0.00 C ATOM 708 CG1 VAL A 48 -5.254 8.104 -3.044 1.00 0.00 C ATOM 709 CG2 VAL A 48 -3.064 8.489 -1.854 1.00 0.00 C ATOM 0 H VAL A 48 -3.591 9.664 -4.969 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.905 11.114 -2.735 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.940 9.383 -1.367 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.395 7.208 -2.440 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.224 8.547 -3.268 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.753 7.838 -3.975 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.249 7.585 -1.274 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.485 8.238 -2.743 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.506 9.202 -1.247 1.00 0.00 H new ATOM 719 N GLN A 49 -2.590 11.555 -1.708 1.00 0.00 N ATOM 720 CA GLN A 49 -1.317 12.173 -1.377 1.00 0.00 C ATOM 721 C GLN A 49 -0.604 11.368 -0.287 1.00 0.00 C ATOM 722 O GLN A 49 -1.221 10.966 0.697 1.00 0.00 O ATOM 723 CB GLN A 49 -1.508 13.628 -0.946 1.00 0.00 C ATOM 724 CG GLN A 49 -0.182 14.245 -0.495 1.00 0.00 C ATOM 725 CD GLN A 49 -0.052 15.687 -0.992 1.00 0.00 C ATOM 726 OE1 GLN A 49 -1.028 16.363 -1.277 1.00 0.00 O ATOM 727 NE2 GLN A 49 1.202 16.119 -1.077 1.00 0.00 N ATOM 0 H GLN A 49 -3.290 11.597 -0.967 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.693 12.173 -2.270 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.919 14.205 -1.774 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.232 13.678 -0.133 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.118 14.224 0.593 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.648 13.649 -0.874 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.973 15.501 -0.823 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.394 17.069 -1.396 1.00 0.00 H new ATOM 736 N LEU A 50 0.686 11.155 -0.502 1.00 0.00 N ATOM 737 CA LEU A 50 1.489 10.406 0.448 1.00 0.00 C ATOM 738 C LEU A 50 2.048 11.363 1.504 1.00 0.00 C ATOM 739 O LEU A 50 2.723 12.335 1.170 1.00 0.00 O ATOM 740 CB LEU A 50 2.566 9.598 -0.279 1.00 0.00 C ATOM 741 CG LEU A 50 3.055 8.336 0.435 1.00 0.00 C ATOM 742 CD1 LEU A 50 3.813 8.690 1.716 1.00 0.00 C ATOM 743 CD2 LEU A 50 1.897 7.373 0.700 1.00 0.00 C ATOM 0 H LEU A 50 1.195 11.488 -1.321 1.00 0.00 H new ATOM 0 HA LEU A 50 0.874 9.675 0.972 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.179 9.311 -1.257 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.423 10.248 -0.454 1.00 0.00 H new ATOM 0 HG LEU A 50 3.757 7.821 -0.221 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.150 7.775 2.204 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.676 9.308 1.469 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.154 9.239 2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.272 6.485 1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.153 7.863 1.327 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.440 7.084 -0.247 1.00 0.00 H new ATOM 755 N TYR A 51 1.744 11.054 2.756 1.00 0.00 N ATOM 756 CA TYR A 51 2.208 11.873 3.863 1.00 0.00 C ATOM 757 C TYR A 51 2.957 11.029 4.895 1.00 0.00 C ATOM 758 O TYR A 51 2.729 9.825 5.001 1.00 0.00 O ATOM 759 CB TYR A 51 0.949 12.453 4.513 1.00 0.00 C ATOM 760 CG TYR A 51 0.429 13.723 3.838 1.00 0.00 C ATOM 761 CD1 TYR A 51 1.166 14.888 3.898 1.00 0.00 C ATOM 762 CD2 TYR A 51 -0.778 13.704 3.169 1.00 0.00 C ATOM 763 CE1 TYR A 51 0.677 16.084 3.262 1.00 0.00 C ATOM 764 CE2 TYR A 51 -1.268 14.900 2.534 1.00 0.00 C ATOM 765 CZ TYR A 51 -0.517 16.031 2.612 1.00 0.00 C ATOM 766 OH TYR A 51 -0.980 17.161 2.011 1.00 0.00 O ATOM 0 H TYR A 51 1.182 10.248 3.028 1.00 0.00 H new ATOM 0 HA TYR A 51 2.891 12.645 3.509 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.163 11.698 4.497 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.160 12.671 5.560 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.110 14.903 4.422 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.355 12.792 3.122 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.245 17.002 3.300 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.211 14.899 2.008 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.843 16.975 1.585 1.00 0.00 H new ATOM 776 N ALA A 52 3.838 11.694 5.629 1.00 0.00 N ATOM 777 CA ALA A 52 4.623 11.020 6.649 1.00 0.00 C ATOM 778 C ALA A 52 4.442 11.741 7.986 1.00 0.00 C ATOM 779 O ALA A 52 4.496 12.969 8.045 1.00 0.00 O ATOM 780 CB ALA A 52 6.088 10.963 6.211 1.00 0.00 C ATOM 0 H ALA A 52 4.025 12.692 5.537 1.00 0.00 H new ATOM 0 HA ALA A 52 4.281 9.993 6.780 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.677 10.457 6.976 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.166 10.415 5.272 1.00 0.00 H new ATOM 0 HB3 ALA A 52 6.466 11.976 6.072 1.00 0.00 H new ATOM 786 N ALA A 53 4.231 10.948 9.026 1.00 0.00 N ATOM 787 CA ALA A 53 4.043 11.496 10.359 1.00 0.00 C ATOM 788 C ALA A 53 5.408 11.797 10.980 1.00 0.00 C ATOM 789 O ALA A 53 5.979 10.954 11.669 1.00 0.00 O ATOM 790 CB ALA A 53 3.221 10.519 11.201 1.00 0.00 C ATOM 0 H ALA A 53 4.186 9.930 8.973 1.00 0.00 H new ATOM 0 HA ALA A 53 3.489 12.433 10.314 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.080 10.930 12.201 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.249 10.363 10.732 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.747 9.567 11.271 1.00 0.00 H new ATOM 796 N ASP A 54 5.891 13.003 10.714 1.00 0.00 N ATOM 797 CA ASP A 54 7.178 13.425 11.239 1.00 0.00 C ATOM 798 C ASP A 54 6.957 14.416 12.383 1.00 0.00 C ATOM 799 O ASP A 54 5.820 14.762 12.698 1.00 0.00 O ATOM 800 CB ASP A 54 8.010 14.124 10.160 1.00 0.00 C ATOM 801 CG ASP A 54 8.989 13.219 9.411 1.00 0.00 C ATOM 802 OD1 ASP A 54 9.704 12.461 10.102 1.00 0.00 O ATOM 803 OD2 ASP A 54 9.002 13.305 8.165 1.00 0.00 O ATOM 0 H ASP A 54 5.414 13.700 10.142 1.00 0.00 H new ATOM 0 HA ASP A 54 7.709 12.538 11.586 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.332 14.578 9.437 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.571 14.935 10.624 1.00 0.00 H new ATOM 808 N ARG A 55 8.063 14.845 12.973 1.00 0.00 N ATOM 809 CA ARG A 55 8.005 15.790 14.075 1.00 0.00 C ATOM 810 C ARG A 55 7.216 15.195 15.244 1.00 0.00 C ATOM 811 O ARG A 55 6.609 14.134 15.110 1.00 0.00 O ATOM 812 CB ARG A 55 7.348 17.102 13.641 1.00 0.00 C ATOM 813 CG ARG A 55 8.262 18.295 13.932 1.00 0.00 C ATOM 814 CD ARG A 55 7.511 19.617 13.753 1.00 0.00 C ATOM 815 NE ARG A 55 7.889 20.563 14.826 1.00 0.00 N ATOM 816 CZ ARG A 55 7.299 21.750 15.024 1.00 0.00 C ATOM 817 NH1 ARG A 55 6.300 22.142 14.222 1.00 0.00 N ATOM 818 NH2 ARG A 55 7.707 22.543 16.023 1.00 0.00 N ATOM 0 H ARG A 55 9.005 14.555 12.709 1.00 0.00 H new ATOM 0 HA ARG A 55 9.028 15.995 14.390 1.00 0.00 H new ATOM 0 HB2 ARG A 55 7.121 17.064 12.576 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.400 17.229 14.164 1.00 0.00 H new ATOM 0 HG2 ARG A 55 8.645 18.225 14.950 1.00 0.00 H new ATOM 0 HG3 ARG A 55 9.124 18.269 13.265 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.743 20.048 12.779 1.00 0.00 H new ATOM 0 HD3 ARG A 55 6.436 19.440 13.775 1.00 0.00 H new ATOM 0 HE ARG A 55 8.646 20.295 15.455 1.00 0.00 H new ATOM 0 HH11 ARG A 55 5.989 21.537 13.462 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.850 23.045 14.372 1.00 0.00 H new ATOM 0 HH21 ARG A 55 8.467 22.244 16.634 1.00 0.00 H new ATOM 0 HH22 ARG A 55 7.258 23.446 16.173 1.00 0.00 H new ATOM 832 N ASN A 56 7.251 15.904 16.361 1.00 0.00 N ATOM 833 CA ASN A 56 6.547 15.460 17.552 1.00 0.00 C ATOM 834 C ASN A 56 5.188 14.884 17.150 1.00 0.00 C ATOM 835 O ASN A 56 4.671 13.983 17.810 1.00 0.00 O ATOM 836 CB ASN A 56 6.301 16.623 18.514 1.00 0.00 C ATOM 837 CG ASN A 56 7.614 17.109 19.133 1.00 0.00 C ATOM 838 OD1 ASN A 56 8.455 17.705 18.481 1.00 0.00 O ATOM 839 ND2 ASN A 56 7.741 16.822 20.426 1.00 0.00 N ATOM 0 H ASN A 56 7.756 16.784 16.467 1.00 0.00 H new ATOM 0 HA ASN A 56 7.163 14.708 18.046 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.819 17.444 17.983 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.617 16.309 19.303 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.581 17.104 20.931 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.998 16.320 20.912 1.00 0.00 H new ATOM 846 N CYS A 57 4.647 15.427 16.069 1.00 0.00 N ATOM 847 CA CYS A 57 3.357 14.978 15.572 1.00 0.00 C ATOM 848 C CYS A 57 2.899 15.948 14.482 1.00 0.00 C ATOM 849 O CYS A 57 2.111 16.857 14.745 1.00 0.00 O ATOM 850 CB CYS A 57 2.328 14.856 16.697 1.00 0.00 C ATOM 851 SG CYS A 57 2.365 16.357 17.745 1.00 0.00 S ATOM 0 H CYS A 57 5.078 16.173 15.524 1.00 0.00 H new ATOM 0 HA CYS A 57 3.455 13.978 15.150 1.00 0.00 H new ATOM 0 HB2 CYS A 57 1.332 14.721 16.276 1.00 0.00 H new ATOM 0 HB3 CYS A 57 2.541 13.975 17.302 1.00 0.00 H new ATOM 0 HG CYS A 57 2.211 17.411 16.999 1.00 0.00 H new ATOM 857 N MET A 58 3.411 15.725 13.281 1.00 0.00 N ATOM 858 CA MET A 58 3.064 16.569 12.150 1.00 0.00 C ATOM 859 C MET A 58 3.333 15.849 10.827 1.00 0.00 C ATOM 860 O MET A 58 4.467 15.468 10.542 1.00 0.00 O ATOM 861 CB MET A 58 3.884 17.859 12.205 1.00 0.00 C ATOM 862 CG MET A 58 3.221 18.892 13.117 1.00 0.00 C ATOM 863 SD MET A 58 3.421 20.529 12.432 1.00 0.00 S ATOM 864 CE MET A 58 2.375 20.393 10.992 1.00 0.00 C ATOM 0 H MET A 58 4.064 14.972 13.066 1.00 0.00 H new ATOM 0 HA MET A 58 2.001 16.802 12.206 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.888 17.640 12.567 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.990 18.270 11.201 1.00 0.00 H new ATOM 0 HG2 MET A 58 2.161 18.663 13.230 1.00 0.00 H new ATOM 0 HG3 MET A 58 3.664 18.848 14.112 1.00 0.00 H new ATOM 0 HE1 MET A 58 1.912 21.358 10.786 1.00 0.00 H new ATOM 0 HE2 MET A 58 2.974 20.088 10.134 1.00 0.00 H new ATOM 0 HE3 MET A 58 1.599 19.650 11.175 1.00 0.00 H new ATOM 874 N TRP A 59 2.269 15.685 10.054 1.00 0.00 N ATOM 875 CA TRP A 59 2.375 15.018 8.767 1.00 0.00 C ATOM 876 C TRP A 59 3.317 15.839 7.885 1.00 0.00 C ATOM 877 O TRP A 59 3.541 17.021 8.142 1.00 0.00 O ATOM 878 CB TRP A 59 0.995 14.814 8.140 1.00 0.00 C ATOM 879 CG TRP A 59 -0.044 14.229 9.098 1.00 0.00 C ATOM 880 CD1 TRP A 59 -0.927 14.889 9.861 1.00 0.00 C ATOM 881 CD2 TRP A 59 -0.275 12.831 9.367 1.00 0.00 C ATOM 882 NE1 TRP A 59 -1.706 14.022 10.598 1.00 0.00 N ATOM 883 CE2 TRP A 59 -1.297 12.729 10.289 1.00 0.00 C ATOM 884 CE3 TRP A 59 0.360 11.687 8.848 1.00 0.00 C ATOM 885 CZ2 TRP A 59 -1.775 11.506 10.772 1.00 0.00 C ATOM 886 CZ3 TRP A 59 -0.131 10.472 9.342 1.00 0.00 C ATOM 887 CH2 TRP A 59 -1.159 10.354 10.270 1.00 0.00 C ATOM 0 H TRP A 59 1.330 16.002 10.294 1.00 0.00 H new ATOM 0 HA TRP A 59 2.792 14.018 8.884 1.00 0.00 H new ATOM 0 HB2 TRP A 59 0.632 15.772 7.767 1.00 0.00 H new ATOM 0 HB3 TRP A 59 1.093 14.153 7.279 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -1.017 15.965 9.894 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -2.446 14.281 11.250 1.00 0.00 H new ATOM 0 HE3 TRP A 59 1.162 11.742 8.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.577 11.454 11.494 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 0.321 9.562 8.976 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.481 9.378 10.602 1.00 0.00 H new ATOM 898 N SER A 60 3.845 15.181 6.863 1.00 0.00 N ATOM 899 CA SER A 60 4.758 15.835 5.942 1.00 0.00 C ATOM 900 C SER A 60 4.549 15.294 4.525 1.00 0.00 C ATOM 901 O SER A 60 4.734 14.104 4.278 1.00 0.00 O ATOM 902 CB SER A 60 6.213 15.638 6.375 1.00 0.00 C ATOM 903 OG SER A 60 6.650 14.295 6.186 1.00 0.00 O ATOM 0 H SER A 60 3.657 14.201 6.653 1.00 0.00 H new ATOM 0 HA SER A 60 4.545 16.904 5.952 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.855 16.311 5.806 1.00 0.00 H new ATOM 0 HB3 SER A 60 6.318 15.909 7.426 1.00 0.00 H new ATOM 0 HG SER A 60 6.025 13.828 5.593 1.00 0.00 H new ATOM 909 N LYS A 61 4.166 16.196 3.634 1.00 0.00 N ATOM 910 CA LYS A 61 3.929 15.825 2.249 1.00 0.00 C ATOM 911 C LYS A 61 5.180 15.146 1.687 1.00 0.00 C ATOM 912 O LYS A 61 6.282 15.682 1.792 1.00 0.00 O ATOM 913 CB LYS A 61 3.473 17.041 1.439 1.00 0.00 C ATOM 914 CG LYS A 61 4.592 18.079 1.330 1.00 0.00 C ATOM 915 CD LYS A 61 5.286 17.996 -0.031 1.00 0.00 C ATOM 916 CE LYS A 61 6.233 19.180 -0.236 1.00 0.00 C ATOM 917 NZ LYS A 61 5.477 20.380 -0.657 1.00 0.00 N ATOM 0 H LYS A 61 4.014 17.183 3.844 1.00 0.00 H new ATOM 0 HA LYS A 61 3.115 15.103 2.182 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.168 16.724 0.442 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.600 17.491 1.912 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.181 19.078 1.472 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.321 17.918 2.124 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.844 17.063 -0.102 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.539 17.982 -0.824 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.771 19.388 0.689 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.980 18.930 -0.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.134 21.175 -0.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.983 20.183 -1.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.781 20.627 0.076 1.00 0.00 H new ATOM 931 N LYS A 62 4.966 13.976 1.102 1.00 0.00 N ATOM 932 CA LYS A 62 6.062 13.217 0.523 1.00 0.00 C ATOM 933 C LYS A 62 5.936 13.231 -1.001 1.00 0.00 C ATOM 934 O LYS A 62 6.931 13.386 -1.708 1.00 0.00 O ATOM 935 CB LYS A 62 6.117 11.812 1.124 1.00 0.00 C ATOM 936 CG LYS A 62 7.522 11.488 1.638 1.00 0.00 C ATOM 937 CD LYS A 62 7.909 10.046 1.307 1.00 0.00 C ATOM 938 CE LYS A 62 8.416 9.930 -0.132 1.00 0.00 C ATOM 939 NZ LYS A 62 8.697 8.518 -0.471 1.00 0.00 N ATOM 0 H LYS A 62 4.050 13.535 1.017 1.00 0.00 H new ATOM 0 HA LYS A 62 7.018 13.680 0.768 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.400 11.734 1.942 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.823 11.080 0.372 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.243 12.173 1.192 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.562 11.640 2.717 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.681 9.706 1.997 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.047 9.393 1.446 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.673 10.334 -0.819 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.320 10.526 -0.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.040 8.458 -1.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.423 8.144 0.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.826 7.958 -0.374 1.00 0.00 H new ATOM 953 N CYS A 63 4.706 13.066 -1.463 1.00 0.00 N ATOM 954 CA CYS A 63 4.437 13.057 -2.891 1.00 0.00 C ATOM 955 C CYS A 63 2.951 12.755 -3.098 1.00 0.00 C ATOM 956 O CYS A 63 2.352 12.008 -2.326 1.00 0.00 O ATOM 957 CB CYS A 63 5.331 12.058 -3.628 1.00 0.00 C ATOM 958 SG CYS A 63 5.242 10.420 -2.816 1.00 0.00 S ATOM 0 H CYS A 63 3.884 12.937 -0.874 1.00 0.00 H new ATOM 0 HA CYS A 63 4.670 14.034 -3.314 1.00 0.00 H new ATOM 0 HB2 CYS A 63 5.017 11.975 -4.668 1.00 0.00 H new ATOM 0 HB3 CYS A 63 6.361 12.415 -3.634 1.00 0.00 H new ATOM 0 HG CYS A 63 5.962 9.566 -3.481 1.00 0.00 H new ATOM 964 N SER A 64 2.400 13.350 -4.144 1.00 0.00 N ATOM 965 CA SER A 64 0.995 13.154 -4.463 1.00 0.00 C ATOM 966 C SER A 64 0.820 12.991 -5.974 1.00 0.00 C ATOM 967 O SER A 64 1.636 13.478 -6.754 1.00 0.00 O ATOM 968 CB SER A 64 0.147 14.321 -3.954 1.00 0.00 C ATOM 969 OG SER A 64 0.950 15.402 -3.487 1.00 0.00 O ATOM 0 H SER A 64 2.900 13.968 -4.783 1.00 0.00 H new ATOM 0 HA SER A 64 0.654 12.247 -3.964 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.504 14.672 -4.755 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.499 13.975 -3.147 1.00 0.00 H new ATOM 0 HG SER A 64 0.473 16.247 -3.623 1.00 0.00 H new ATOM 975 N GLY A 65 -0.251 12.303 -6.341 1.00 0.00 N ATOM 976 CA GLY A 65 -0.544 12.068 -7.745 1.00 0.00 C ATOM 977 C GLY A 65 -1.646 11.018 -7.907 1.00 0.00 C ATOM 978 O GLY A 65 -2.615 11.007 -7.149 1.00 0.00 O ATOM 0 H GLY A 65 -0.926 11.901 -5.691 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.853 13.001 -8.217 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.358 11.735 -8.258 1.00 0.00 H new ATOM 982 N VAL A 66 -1.461 10.162 -8.901 1.00 0.00 N ATOM 983 CA VAL A 66 -2.427 9.110 -9.172 1.00 0.00 C ATOM 984 C VAL A 66 -1.928 7.796 -8.568 1.00 0.00 C ATOM 985 O VAL A 66 -0.759 7.444 -8.720 1.00 0.00 O ATOM 986 CB VAL A 66 -2.688 9.015 -10.677 1.00 0.00 C ATOM 987 CG1 VAL A 66 -1.409 8.654 -11.434 1.00 0.00 C ATOM 988 CG2 VAL A 66 -3.804 8.013 -10.976 1.00 0.00 C ATOM 0 H VAL A 66 -0.657 10.175 -9.529 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.384 9.340 -8.703 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.016 9.995 -11.023 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.623 8.593 -12.501 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.654 9.420 -11.258 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.038 7.691 -11.083 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.970 7.964 -12.052 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.517 7.028 -10.608 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.721 8.332 -10.481 1.00 0.00 H new ATOM 998 N ALA A 67 -2.838 7.107 -7.895 1.00 0.00 N ATOM 999 CA ALA A 67 -2.504 5.840 -7.268 1.00 0.00 C ATOM 1000 C ALA A 67 -3.530 4.784 -7.683 1.00 0.00 C ATOM 1001 O ALA A 67 -4.658 5.117 -8.041 1.00 0.00 O ATOM 1002 CB ALA A 67 -2.439 6.024 -5.750 1.00 0.00 C ATOM 0 H ALA A 67 -3.806 7.402 -7.770 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.524 5.495 -7.598 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.188 5.074 -5.279 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.676 6.763 -5.505 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.407 6.367 -5.383 1.00 0.00 H new ATOM 1008 N CYS A 68 -3.101 3.532 -7.623 1.00 0.00 N ATOM 1009 CA CYS A 68 -3.969 2.426 -7.988 1.00 0.00 C ATOM 1010 C CYS A 68 -3.540 1.194 -7.188 1.00 0.00 C ATOM 1011 O CYS A 68 -2.359 1.023 -6.889 1.00 0.00 O ATOM 1012 CB CYS A 68 -3.945 2.163 -9.496 1.00 0.00 C ATOM 1013 SG CYS A 68 -3.018 0.625 -9.848 1.00 0.00 S ATOM 0 H CYS A 68 -2.164 3.259 -7.327 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.002 2.675 -7.744 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.963 2.078 -9.875 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.481 3.003 -10.013 1.00 0.00 H new ATOM 0 HG CYS A 68 -1.757 0.811 -9.594 1.00 0.00 H new ATOM 1019 N LEU A 69 -4.523 0.368 -6.863 1.00 0.00 N ATOM 1020 CA LEU A 69 -4.262 -0.843 -6.102 1.00 0.00 C ATOM 1021 C LEU A 69 -4.075 -2.015 -7.066 1.00 0.00 C ATOM 1022 O LEU A 69 -5.010 -2.407 -7.762 1.00 0.00 O ATOM 1023 CB LEU A 69 -5.363 -1.071 -5.063 1.00 0.00 C ATOM 1024 CG LEU A 69 -5.393 -2.454 -4.411 1.00 0.00 C ATOM 1025 CD1 LEU A 69 -4.406 -2.532 -3.244 1.00 0.00 C ATOM 1026 CD2 LEU A 69 -6.814 -2.828 -3.985 1.00 0.00 C ATOM 0 H LEU A 69 -5.501 0.513 -7.112 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.336 -0.745 -5.535 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.254 -0.323 -4.278 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.327 -0.895 -5.540 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.075 -3.188 -5.152 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.447 -3.526 -2.798 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.397 -2.339 -3.608 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.670 -1.787 -2.494 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.808 -3.816 -3.524 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.183 -2.095 -3.268 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.465 -2.840 -4.859 1.00 0.00 H new ATOM 1038 N VAL A 70 -2.859 -2.543 -7.077 1.00 0.00 N ATOM 1039 CA VAL A 70 -2.538 -3.663 -7.945 1.00 0.00 C ATOM 1040 C VAL A 70 -2.397 -4.932 -7.102 1.00 0.00 C ATOM 1041 O VAL A 70 -1.839 -4.895 -6.006 1.00 0.00 O ATOM 1042 CB VAL A 70 -1.284 -3.348 -8.763 1.00 0.00 C ATOM 1043 CG1 VAL A 70 -0.858 -4.555 -9.601 1.00 0.00 C ATOM 1044 CG2 VAL A 70 -1.500 -2.116 -9.646 1.00 0.00 C ATOM 0 H VAL A 70 -2.085 -2.216 -6.499 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.343 -3.835 -8.660 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.477 -3.123 -8.065 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.036 -4.304 -10.173 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.643 -5.397 -8.943 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.662 -4.825 -10.285 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.594 -1.914 -10.217 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.327 -2.300 -10.332 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.733 -1.255 -9.019 1.00 0.00 H new ATOM 1054 N LYS A 71 -2.914 -6.025 -7.644 1.00 0.00 N ATOM 1055 CA LYS A 71 -2.854 -7.302 -6.955 1.00 0.00 C ATOM 1056 C LYS A 71 -1.994 -8.274 -7.767 1.00 0.00 C ATOM 1057 O LYS A 71 -2.176 -8.410 -8.976 1.00 0.00 O ATOM 1058 CB LYS A 71 -4.263 -7.823 -6.668 1.00 0.00 C ATOM 1059 CG LYS A 71 -4.915 -8.373 -7.937 1.00 0.00 C ATOM 1060 CD LYS A 71 -4.651 -9.873 -8.084 1.00 0.00 C ATOM 1061 CE LYS A 71 -5.814 -10.692 -7.521 1.00 0.00 C ATOM 1062 NZ LYS A 71 -5.586 -11.000 -6.091 1.00 0.00 N ATOM 0 H LYS A 71 -3.376 -6.052 -8.553 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.377 -7.187 -5.982 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.218 -8.605 -5.910 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.875 -7.019 -6.260 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.989 -8.191 -7.906 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.527 -7.845 -8.808 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.504 -10.119 -9.136 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.730 -10.137 -7.563 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.746 -10.138 -7.636 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.922 -11.618 -8.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.302 -11.680 -5.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.638 -11.411 -5.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.658 -10.126 -5.532 1.00 0.00 H new ATOM 1076 N ASP A 72 -1.074 -8.924 -7.069 1.00 0.00 N ATOM 1077 CA ASP A 72 -0.185 -9.879 -7.710 1.00 0.00 C ATOM 1078 C ASP A 72 -0.861 -11.251 -7.750 1.00 0.00 C ATOM 1079 O ASP A 72 -0.685 -12.060 -6.841 1.00 0.00 O ATOM 1080 CB ASP A 72 1.124 -10.020 -6.932 1.00 0.00 C ATOM 1081 CG ASP A 72 2.392 -9.998 -7.788 1.00 0.00 C ATOM 1082 OD1 ASP A 72 2.238 -9.925 -9.027 1.00 0.00 O ATOM 1083 OD2 ASP A 72 3.485 -10.054 -7.186 1.00 0.00 O ATOM 0 H ASP A 72 -0.925 -8.808 -6.067 1.00 0.00 H new ATOM 0 HA ASP A 72 0.030 -9.518 -8.716 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.183 -9.213 -6.201 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.098 -10.955 -6.373 1.00 0.00 H new ATOM 1157 N SER A 77 0.448 -12.031 -3.633 1.00 0.00 N ATOM 1158 CA SER A 77 0.383 -10.847 -2.794 1.00 0.00 C ATOM 1159 C SER A 77 -0.059 -9.640 -3.625 1.00 0.00 C ATOM 1160 O SER A 77 -0.404 -9.782 -4.797 1.00 0.00 O ATOM 1161 CB SER A 77 1.734 -10.566 -2.130 1.00 0.00 C ATOM 1162 OG SER A 77 1.591 -10.199 -0.762 1.00 0.00 O ATOM 0 HA SER A 77 -0.349 -11.027 -2.006 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.365 -11.452 -2.203 1.00 0.00 H new ATOM 0 HB3 SER A 77 2.243 -9.766 -2.668 1.00 0.00 H new ATOM 0 HG SER A 77 2.220 -9.479 -0.549 1.00 0.00 H new ATOM 1168 N TYR A 78 -0.035 -8.481 -2.985 1.00 0.00 N ATOM 1169 CA TYR A 78 -0.430 -7.250 -3.650 1.00 0.00 C ATOM 1170 C TYR A 78 0.684 -6.204 -3.574 1.00 0.00 C ATOM 1171 O TYR A 78 1.659 -6.381 -2.844 1.00 0.00 O ATOM 1172 CB TYR A 78 -1.652 -6.732 -2.889 1.00 0.00 C ATOM 1173 CG TYR A 78 -2.799 -7.741 -2.795 1.00 0.00 C ATOM 1174 CD1 TYR A 78 -2.749 -8.758 -1.865 1.00 0.00 C ATOM 1175 CD2 TYR A 78 -3.884 -7.631 -3.641 1.00 0.00 C ATOM 1176 CE1 TYR A 78 -3.829 -9.707 -1.776 1.00 0.00 C ATOM 1177 CE2 TYR A 78 -4.964 -8.579 -3.553 1.00 0.00 C ATOM 1178 CZ TYR A 78 -4.884 -9.571 -2.625 1.00 0.00 C ATOM 1179 OH TYR A 78 -5.903 -10.467 -2.542 1.00 0.00 O ATOM 0 H TYR A 78 0.252 -8.367 -2.013 1.00 0.00 H new ATOM 0 HA TYR A 78 -0.641 -7.434 -4.703 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -1.347 -6.449 -1.882 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.016 -5.828 -3.378 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -1.900 -8.843 -1.203 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.923 -6.834 -4.369 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -3.802 -10.508 -1.052 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -5.819 -8.504 -4.209 1.00 0.00 H new ATOM 0 HH TYR A 78 -6.588 -10.246 -3.208 1.00 0.00 H new ATOM 1189 N PHE A 79 0.502 -5.136 -4.338 1.00 0.00 N ATOM 1190 CA PHE A 79 1.480 -4.061 -4.366 1.00 0.00 C ATOM 1191 C PHE A 79 0.812 -2.720 -4.676 1.00 0.00 C ATOM 1192 O PHE A 79 0.078 -2.600 -5.654 1.00 0.00 O ATOM 1193 CB PHE A 79 2.475 -4.391 -5.481 1.00 0.00 C ATOM 1194 CG PHE A 79 3.287 -5.664 -5.234 1.00 0.00 C ATOM 1195 CD1 PHE A 79 2.709 -6.883 -5.399 1.00 0.00 C ATOM 1196 CD2 PHE A 79 4.589 -5.575 -4.849 1.00 0.00 C ATOM 1197 CE1 PHE A 79 3.463 -8.064 -5.169 1.00 0.00 C ATOM 1198 CE2 PHE A 79 5.344 -6.755 -4.620 1.00 0.00 C ATOM 1199 CZ PHE A 79 4.765 -7.975 -4.784 1.00 0.00 C ATOM 0 H PHE A 79 -0.307 -4.992 -4.942 1.00 0.00 H new ATOM 0 HA PHE A 79 1.969 -3.977 -3.395 1.00 0.00 H new ATOM 0 HB2 PHE A 79 1.931 -4.496 -6.420 1.00 0.00 H new ATOM 0 HB3 PHE A 79 3.161 -3.553 -5.602 1.00 0.00 H new ATOM 0 HD1 PHE A 79 1.676 -6.953 -5.705 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.048 -4.606 -4.718 1.00 0.00 H new ATOM 0 HE1 PHE A 79 3.003 -9.032 -5.300 1.00 0.00 H new ATOM 0 HE2 PHE A 79 6.378 -6.684 -4.316 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.339 -8.873 -4.609 1.00 0.00 H new ATOM 1209 N LEU A 80 1.090 -1.747 -3.822 1.00 0.00 N ATOM 1210 CA LEU A 80 0.524 -0.419 -3.991 1.00 0.00 C ATOM 1211 C LEU A 80 1.616 0.537 -4.477 1.00 0.00 C ATOM 1212 O LEU A 80 2.750 0.481 -4.005 1.00 0.00 O ATOM 1213 CB LEU A 80 -0.166 0.038 -2.704 1.00 0.00 C ATOM 1214 CG LEU A 80 -1.281 1.072 -2.872 1.00 0.00 C ATOM 1215 CD1 LEU A 80 -2.429 0.507 -3.710 1.00 0.00 C ATOM 1216 CD2 LEU A 80 -1.762 1.584 -1.513 1.00 0.00 C ATOM 0 H LEU A 80 1.700 -1.851 -3.011 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.254 -0.430 -4.754 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.582 -0.838 -2.207 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.590 0.453 -2.038 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.877 1.927 -3.414 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.209 1.261 -3.815 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.057 0.230 -4.697 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.840 -0.374 -3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.555 2.318 -1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.144 0.750 -0.925 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.930 2.050 -0.984 1.00 0.00 H new ATOM 1228 N ARG A 81 1.234 1.393 -5.413 1.00 0.00 N ATOM 1229 CA ARG A 81 2.166 2.360 -5.969 1.00 0.00 C ATOM 1230 C ARG A 81 1.420 3.614 -6.427 1.00 0.00 C ATOM 1231 O ARG A 81 0.225 3.559 -6.718 1.00 0.00 O ATOM 1232 CB ARG A 81 2.932 1.768 -7.154 1.00 0.00 C ATOM 1233 CG ARG A 81 3.331 0.317 -6.880 1.00 0.00 C ATOM 1234 CD ARG A 81 4.007 -0.306 -8.102 1.00 0.00 C ATOM 1235 NE ARG A 81 5.429 -0.588 -7.806 1.00 0.00 N ATOM 1236 CZ ARG A 81 6.226 -1.331 -8.586 1.00 0.00 C ATOM 1237 NH1 ARG A 81 5.746 -1.871 -9.714 1.00 0.00 N ATOM 1238 NH2 ARG A 81 7.504 -1.535 -8.236 1.00 0.00 N ATOM 0 H ARG A 81 0.292 1.437 -5.801 1.00 0.00 H new ATOM 0 HA ARG A 81 2.877 2.623 -5.186 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.315 1.816 -8.051 1.00 0.00 H new ATOM 0 HB3 ARG A 81 3.824 2.363 -7.349 1.00 0.00 H new ATOM 0 HG2 ARG A 81 4.007 0.277 -6.026 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.447 -0.263 -6.614 1.00 0.00 H new ATOM 0 HD2 ARG A 81 3.495 -1.227 -8.380 1.00 0.00 H new ATOM 0 HD3 ARG A 81 3.932 0.370 -8.954 1.00 0.00 H new ATOM 0 HE ARG A 81 5.828 -0.192 -6.955 1.00 0.00 H new ATOM 0 HH11 ARG A 81 4.773 -1.717 -9.980 1.00 0.00 H new ATOM 0 HH12 ARG A 81 6.353 -2.436 -10.307 1.00 0.00 H new ATOM 0 HH21 ARG A 81 7.869 -1.125 -7.376 1.00 0.00 H new ATOM 0 HH22 ARG A 81 8.111 -2.100 -8.829 1.00 0.00 H new ATOM 1252 N ILE A 82 2.154 4.715 -6.479 1.00 0.00 N ATOM 1253 CA ILE A 82 1.576 5.981 -6.897 1.00 0.00 C ATOM 1254 C ILE A 82 2.312 6.487 -8.140 1.00 0.00 C ATOM 1255 O ILE A 82 3.523 6.311 -8.263 1.00 0.00 O ATOM 1256 CB ILE A 82 1.572 6.978 -5.737 1.00 0.00 C ATOM 1257 CG1 ILE A 82 0.462 6.649 -4.735 1.00 0.00 C ATOM 1258 CG2 ILE A 82 1.473 8.417 -6.249 1.00 0.00 C ATOM 1259 CD1 ILE A 82 0.834 7.127 -3.330 1.00 0.00 C ATOM 0 H ILE A 82 3.144 4.757 -6.239 1.00 0.00 H new ATOM 0 HA ILE A 82 0.531 5.848 -7.176 1.00 0.00 H new ATOM 0 HB ILE A 82 2.521 6.889 -5.208 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.469 7.121 -5.049 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.285 5.574 -4.722 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.472 9.105 -5.403 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.326 8.634 -6.892 1.00 0.00 H new ATOM 0 HG23 ILE A 82 0.550 8.539 -6.816 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.029 6.881 -2.637 1.00 0.00 H new ATOM 0 HD12 ILE A 82 1.752 6.634 -3.009 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.986 8.206 -3.341 1.00 0.00 H new ATOM 1271 N PHE A 83 1.550 7.105 -9.029 1.00 0.00 N ATOM 1272 CA PHE A 83 2.114 7.638 -10.258 1.00 0.00 C ATOM 1273 C PHE A 83 1.850 9.140 -10.377 1.00 0.00 C ATOM 1274 O PHE A 83 0.764 9.612 -10.042 1.00 0.00 O ATOM 1275 CB PHE A 83 1.422 6.918 -11.417 1.00 0.00 C ATOM 1276 CG PHE A 83 0.575 5.718 -10.987 1.00 0.00 C ATOM 1277 CD1 PHE A 83 1.109 4.764 -10.178 1.00 0.00 C ATOM 1278 CD2 PHE A 83 -0.710 5.606 -11.415 1.00 0.00 C ATOM 1279 CE1 PHE A 83 0.323 3.651 -9.779 1.00 0.00 C ATOM 1280 CE2 PHE A 83 -1.496 4.493 -11.016 1.00 0.00 C ATOM 1281 CZ PHE A 83 -0.964 3.538 -10.207 1.00 0.00 C ATOM 0 H PHE A 83 0.546 7.249 -8.923 1.00 0.00 H new ATOM 0 HA PHE A 83 3.193 7.484 -10.269 1.00 0.00 H new ATOM 0 HB2 PHE A 83 0.786 7.628 -11.945 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.179 6.581 -12.125 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.131 4.853 -9.839 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.133 6.363 -12.058 1.00 0.00 H new ATOM 0 HE1 PHE A 83 0.746 2.894 -9.136 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.517 4.405 -11.355 1.00 0.00 H new ATOM 0 HZ PHE A 83 -1.562 2.691 -9.905 1.00 0.00 H new ATOM 1291 N ASP A 84 2.861 9.850 -10.853 1.00 0.00 N ATOM 1292 CA ASP A 84 2.752 11.290 -11.020 1.00 0.00 C ATOM 1293 C ASP A 84 1.836 11.593 -12.208 1.00 0.00 C ATOM 1294 O ASP A 84 1.695 10.772 -13.113 1.00 0.00 O ATOM 1295 CB ASP A 84 4.119 11.916 -11.306 1.00 0.00 C ATOM 1296 CG ASP A 84 4.214 13.417 -11.022 1.00 0.00 C ATOM 1297 OD1 ASP A 84 3.217 14.113 -11.309 1.00 0.00 O ATOM 1298 OD2 ASP A 84 5.283 13.834 -10.525 1.00 0.00 O ATOM 0 H ASP A 84 3.760 9.456 -11.129 1.00 0.00 H new ATOM 0 HA ASP A 84 2.350 11.707 -10.097 1.00 0.00 H new ATOM 0 HB2 ASP A 84 4.871 11.400 -10.709 1.00 0.00 H new ATOM 0 HB3 ASP A 84 4.370 11.743 -12.353 1.00 0.00 H new ATOM 1303 N ILE A 85 1.238 12.775 -12.166 1.00 0.00 N ATOM 1304 CA ILE A 85 0.340 13.197 -13.227 1.00 0.00 C ATOM 1305 C ILE A 85 1.012 14.297 -14.051 1.00 0.00 C ATOM 1306 O ILE A 85 0.457 14.758 -15.048 1.00 0.00 O ATOM 1307 CB ILE A 85 -1.017 13.603 -12.649 1.00 0.00 C ATOM 1308 CG1 ILE A 85 -1.989 14.000 -13.763 1.00 0.00 C ATOM 1309 CG2 ILE A 85 -0.860 14.708 -11.604 1.00 0.00 C ATOM 1310 CD1 ILE A 85 -3.422 14.090 -13.232 1.00 0.00 C ATOM 0 H ILE A 85 1.358 13.453 -11.414 1.00 0.00 H new ATOM 0 HA ILE A 85 0.137 12.369 -13.906 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.445 12.739 -12.140 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -1.692 14.960 -14.185 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -1.941 13.269 -14.570 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.840 14.978 -11.209 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.227 14.353 -10.791 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.402 15.583 -12.065 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -4.093 14.374 -14.043 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.724 13.122 -12.833 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -3.471 14.839 -12.442 1.00 0.00 H new ATOM 1322 N LYS A 86 2.197 14.686 -13.604 1.00 0.00 N ATOM 1323 CA LYS A 86 2.949 15.724 -14.287 1.00 0.00 C ATOM 1324 C LYS A 86 4.191 15.106 -14.933 1.00 0.00 C ATOM 1325 O LYS A 86 4.540 15.442 -16.064 1.00 0.00 O ATOM 1326 CB LYS A 86 3.262 16.877 -13.332 1.00 0.00 C ATOM 1327 CG LYS A 86 2.788 18.212 -13.909 1.00 0.00 C ATOM 1328 CD LYS A 86 3.840 19.304 -13.704 1.00 0.00 C ATOM 1329 CE LYS A 86 3.516 20.155 -12.474 1.00 0.00 C ATOM 1330 NZ LYS A 86 4.761 20.588 -11.801 1.00 0.00 N ATOM 0 H LYS A 86 2.654 14.301 -12.778 1.00 0.00 H new ATOM 0 HA LYS A 86 2.354 16.159 -15.090 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.778 16.700 -12.372 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.335 16.918 -13.145 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.579 18.099 -14.973 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.854 18.508 -13.431 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.823 18.849 -13.587 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.886 19.940 -14.588 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.934 21.027 -12.771 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.901 19.582 -11.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.523 21.164 -10.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.302 19.752 -11.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 5.334 21.152 -12.461 1.00 0.00 H new ATOM 1344 N ASP A 87 4.825 14.214 -14.185 1.00 0.00 N ATOM 1345 CA ASP A 87 6.021 13.546 -14.670 1.00 0.00 C ATOM 1346 C ASP A 87 5.653 12.146 -15.164 1.00 0.00 C ATOM 1347 O ASP A 87 6.451 11.489 -15.832 1.00 0.00 O ATOM 1348 CB ASP A 87 7.058 13.397 -13.556 1.00 0.00 C ATOM 1349 CG ASP A 87 7.584 14.713 -12.981 1.00 0.00 C ATOM 1350 OD1 ASP A 87 6.990 15.759 -13.322 1.00 0.00 O ATOM 1351 OD2 ASP A 87 8.567 14.644 -12.212 1.00 0.00 O ATOM 0 H ASP A 87 4.533 13.939 -13.247 1.00 0.00 H new ATOM 0 HA ASP A 87 6.441 14.149 -15.475 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.618 12.815 -12.746 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.901 12.823 -13.940 1.00 0.00 H new ATOM 1356 N GLY A 88 4.444 11.729 -14.818 1.00 0.00 N ATOM 1357 CA GLY A 88 3.960 10.419 -15.217 1.00 0.00 C ATOM 1358 C GLY A 88 4.972 9.329 -14.861 1.00 0.00 C ATOM 1359 O GLY A 88 5.303 8.487 -15.695 1.00 0.00 O ATOM 0 H GLY A 88 3.785 12.276 -14.265 1.00 0.00 H new ATOM 0 HA2 GLY A 88 3.010 10.213 -14.724 1.00 0.00 H new ATOM 0 HA3 GLY A 88 3.771 10.409 -16.291 1.00 0.00 H new ATOM 1363 N LYS A 89 5.435 9.379 -13.620 1.00 0.00 N ATOM 1364 CA LYS A 89 6.403 8.406 -13.143 1.00 0.00 C ATOM 1365 C LYS A 89 6.007 7.946 -11.738 1.00 0.00 C ATOM 1366 O LYS A 89 5.010 8.410 -11.187 1.00 0.00 O ATOM 1367 CB LYS A 89 7.820 8.974 -13.228 1.00 0.00 C ATOM 1368 CG LYS A 89 8.051 10.036 -12.151 1.00 0.00 C ATOM 1369 CD LYS A 89 9.527 10.432 -12.079 1.00 0.00 C ATOM 1370 CE LYS A 89 10.267 9.600 -11.030 1.00 0.00 C ATOM 1371 NZ LYS A 89 11.566 9.131 -11.563 1.00 0.00 N ATOM 0 H LYS A 89 5.158 10.078 -12.931 1.00 0.00 H new ATOM 0 HA LYS A 89 6.401 7.522 -13.781 1.00 0.00 H new ATOM 0 HB2 LYS A 89 8.546 8.169 -13.112 1.00 0.00 H new ATOM 0 HB3 LYS A 89 7.982 9.410 -14.214 1.00 0.00 H new ATOM 0 HG2 LYS A 89 7.445 10.916 -12.367 1.00 0.00 H new ATOM 0 HG3 LYS A 89 7.726 9.654 -11.183 1.00 0.00 H new ATOM 0 HD2 LYS A 89 9.993 10.292 -13.054 1.00 0.00 H new ATOM 0 HD3 LYS A 89 9.612 11.491 -11.835 1.00 0.00 H new ATOM 0 HE2 LYS A 89 10.429 10.197 -10.132 1.00 0.00 H new ATOM 0 HE3 LYS A 89 9.657 8.745 -10.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 12.056 8.568 -10.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 11.404 8.544 -12.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 12.153 9.951 -11.819 1.00 0.00 H new ATOM 1385 N LEU A 90 6.809 7.041 -11.198 1.00 0.00 N ATOM 1386 CA LEU A 90 6.556 6.514 -9.868 1.00 0.00 C ATOM 1387 C LEU A 90 6.995 7.543 -8.825 1.00 0.00 C ATOM 1388 O LEU A 90 8.126 8.025 -8.860 1.00 0.00 O ATOM 1389 CB LEU A 90 7.218 5.146 -9.698 1.00 0.00 C ATOM 1390 CG LEU A 90 6.271 3.946 -9.627 1.00 0.00 C ATOM 1391 CD1 LEU A 90 7.049 2.630 -9.673 1.00 0.00 C ATOM 1392 CD2 LEU A 90 5.366 4.035 -8.397 1.00 0.00 C ATOM 0 H LEU A 90 7.635 6.659 -11.658 1.00 0.00 H new ATOM 0 HA LEU A 90 5.489 6.346 -9.722 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.906 4.992 -10.529 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.817 5.165 -8.788 1.00 0.00 H new ATOM 0 HG LEU A 90 5.625 3.968 -10.504 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.352 1.793 -9.621 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.615 2.574 -10.603 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.736 2.583 -8.828 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.703 3.170 -8.370 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.978 4.051 -7.495 1.00 0.00 H new ATOM 0 HD23 LEU A 90 4.771 4.947 -8.448 1.00 0.00 H new ATOM 1404 N LEU A 91 6.077 7.849 -7.919 1.00 0.00 N ATOM 1405 CA LEU A 91 6.355 8.812 -6.867 1.00 0.00 C ATOM 1406 C LEU A 91 6.423 8.086 -5.522 1.00 0.00 C ATOM 1407 O LEU A 91 7.030 8.584 -4.575 1.00 0.00 O ATOM 1408 CB LEU A 91 5.334 9.952 -6.900 1.00 0.00 C ATOM 1409 CG LEU A 91 5.739 11.191 -7.701 1.00 0.00 C ATOM 1410 CD1 LEU A 91 4.662 12.275 -7.615 1.00 0.00 C ATOM 1411 CD2 LEU A 91 7.109 11.709 -7.258 1.00 0.00 C ATOM 0 H LEU A 91 5.140 7.447 -7.892 1.00 0.00 H new ATOM 0 HA LEU A 91 7.326 9.280 -7.026 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.401 9.566 -7.312 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.127 10.258 -5.874 1.00 0.00 H new ATOM 0 HG LEU A 91 5.827 10.905 -8.749 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.974 13.145 -8.193 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.725 11.890 -8.017 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.518 12.564 -6.574 1.00 0.00 H new ATOM 0 HD21 LEU A 91 7.372 12.590 -7.844 1.00 0.00 H new ATOM 0 HD22 LEU A 91 7.074 11.973 -6.201 1.00 0.00 H new ATOM 0 HD23 LEU A 91 7.859 10.933 -7.413 1.00 0.00 H new ATOM 1423 N TRP A 92 5.792 6.923 -5.482 1.00 0.00 N ATOM 1424 CA TRP A 92 5.772 6.124 -4.268 1.00 0.00 C ATOM 1425 C TRP A 92 5.431 4.683 -4.656 1.00 0.00 C ATOM 1426 O TRP A 92 4.699 4.453 -5.617 1.00 0.00 O ATOM 1427 CB TRP A 92 4.804 6.712 -3.239 1.00 0.00 C ATOM 1428 CG TRP A 92 4.487 5.770 -2.076 1.00 0.00 C ATOM 1429 CD1 TRP A 92 5.192 5.581 -0.952 1.00 0.00 C ATOM 1430 CD2 TRP A 92 3.346 4.894 -1.965 1.00 0.00 C ATOM 1431 NE1 TRP A 92 4.592 4.649 -0.129 1.00 0.00 N ATOM 1432 CE2 TRP A 92 3.433 4.219 -0.765 1.00 0.00 C ATOM 1433 CE3 TRP A 92 2.275 4.679 -2.850 1.00 0.00 C ATOM 1434 CZ2 TRP A 92 2.482 3.283 -0.340 1.00 0.00 C ATOM 1435 CZ3 TRP A 92 1.332 3.741 -2.411 1.00 0.00 C ATOM 1436 CH2 TRP A 92 1.406 3.053 -1.205 1.00 0.00 C ATOM 0 H TRP A 92 5.290 6.514 -6.270 1.00 0.00 H new ATOM 0 HA TRP A 92 6.749 6.133 -3.785 1.00 0.00 H new ATOM 0 HB2 TRP A 92 5.228 7.634 -2.841 1.00 0.00 H new ATOM 0 HB3 TRP A 92 3.874 6.979 -3.741 1.00 0.00 H new ATOM 0 HD1 TRP A 92 6.114 6.093 -0.719 1.00 0.00 H new ATOM 0 HE1 TRP A 92 4.936 4.334 0.778 1.00 0.00 H new ATOM 0 HE3 TRP A 92 2.186 5.196 -3.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 2.574 2.767 0.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 0.488 3.538 -3.054 1.00 0.00 H new ATOM 0 HH2 TRP A 92 0.637 2.344 -0.937 1.00 0.00 H new ATOM 1447 N GLU A 93 5.978 3.753 -3.888 1.00 0.00 N ATOM 1448 CA GLU A 93 5.741 2.341 -4.140 1.00 0.00 C ATOM 1449 C GLU A 93 5.822 1.549 -2.833 1.00 0.00 C ATOM 1450 O GLU A 93 6.779 1.692 -2.075 1.00 0.00 O ATOM 1451 CB GLU A 93 6.727 1.795 -5.174 1.00 0.00 C ATOM 1452 CG GLU A 93 8.172 1.987 -4.709 1.00 0.00 C ATOM 1453 CD GLU A 93 8.967 0.686 -4.834 1.00 0.00 C ATOM 1454 OE1 GLU A 93 8.342 -0.381 -4.646 1.00 0.00 O ATOM 1455 OE2 GLU A 93 10.181 0.786 -5.112 1.00 0.00 O ATOM 0 H GLU A 93 6.584 3.949 -3.091 1.00 0.00 H new ATOM 0 HA GLU A 93 4.737 2.228 -4.550 1.00 0.00 H new ATOM 0 HB2 GLU A 93 6.533 0.736 -5.343 1.00 0.00 H new ATOM 0 HB3 GLU A 93 6.578 2.302 -6.127 1.00 0.00 H new ATOM 0 HG2 GLU A 93 8.648 2.767 -5.303 1.00 0.00 H new ATOM 0 HG3 GLU A 93 8.182 2.325 -3.673 1.00 0.00 H new ATOM 1462 N GLN A 94 4.804 0.730 -2.612 1.00 0.00 N ATOM 1463 CA GLN A 94 4.747 -0.086 -1.410 1.00 0.00 C ATOM 1464 C GLN A 94 4.527 -1.555 -1.777 1.00 0.00 C ATOM 1465 O GLN A 94 3.688 -1.869 -2.620 1.00 0.00 O ATOM 1466 CB GLN A 94 3.656 0.413 -0.460 1.00 0.00 C ATOM 1467 CG GLN A 94 3.368 -0.619 0.632 1.00 0.00 C ATOM 1468 CD GLN A 94 4.624 -0.916 1.453 1.00 0.00 C ATOM 1469 OE1 GLN A 94 5.444 -0.051 1.715 1.00 0.00 O ATOM 1470 NE2 GLN A 94 4.729 -2.183 1.841 1.00 0.00 N ATOM 0 H GLN A 94 4.012 0.614 -3.244 1.00 0.00 H new ATOM 0 HA GLN A 94 5.701 -0.001 -0.890 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.967 1.353 -0.004 1.00 0.00 H new ATOM 0 HB3 GLN A 94 2.745 0.617 -1.022 1.00 0.00 H new ATOM 0 HG2 GLN A 94 2.580 -0.249 1.288 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.000 -1.539 0.179 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.006 -2.856 1.587 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.533 -2.482 2.393 1.00 0.00 H new ATOM 1479 N GLU A 95 5.293 -2.416 -1.124 1.00 0.00 N ATOM 1480 CA GLU A 95 5.192 -3.844 -1.369 1.00 0.00 C ATOM 1481 C GLU A 95 4.311 -4.505 -0.307 1.00 0.00 C ATOM 1482 O GLU A 95 4.816 -5.156 0.607 1.00 0.00 O ATOM 1483 CB GLU A 95 6.577 -4.493 -1.413 1.00 0.00 C ATOM 1484 CG GLU A 95 7.384 -3.982 -2.609 1.00 0.00 C ATOM 1485 CD GLU A 95 8.877 -4.263 -2.423 1.00 0.00 C ATOM 1486 OE1 GLU A 95 9.277 -5.413 -2.703 1.00 0.00 O ATOM 1487 OE2 GLU A 95 9.583 -3.320 -2.003 1.00 0.00 O ATOM 0 H GLU A 95 5.987 -2.152 -0.425 1.00 0.00 H new ATOM 0 HA GLU A 95 4.726 -3.992 -2.343 1.00 0.00 H new ATOM 0 HB2 GLU A 95 7.113 -4.277 -0.489 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.473 -5.576 -1.476 1.00 0.00 H new ATOM 0 HG2 GLU A 95 7.031 -4.461 -3.522 1.00 0.00 H new ATOM 0 HG3 GLU A 95 7.224 -2.911 -2.729 1.00 0.00 H new ATOM 1494 N LEU A 96 3.009 -4.314 -0.462 1.00 0.00 N ATOM 1495 CA LEU A 96 2.053 -4.882 0.473 1.00 0.00 C ATOM 1496 C LEU A 96 2.588 -6.218 0.994 1.00 0.00 C ATOM 1497 O LEU A 96 3.252 -6.952 0.264 1.00 0.00 O ATOM 1498 CB LEU A 96 0.669 -4.983 -0.171 1.00 0.00 C ATOM 1499 CG LEU A 96 0.072 -3.673 -0.688 1.00 0.00 C ATOM 1500 CD1 LEU A 96 -1.275 -3.915 -1.369 1.00 0.00 C ATOM 1501 CD2 LEU A 96 -0.030 -2.637 0.433 1.00 0.00 C ATOM 0 H LEU A 96 2.594 -3.774 -1.221 1.00 0.00 H new ATOM 0 HA LEU A 96 1.930 -4.228 1.337 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.728 -5.685 -1.002 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.019 -5.410 0.559 1.00 0.00 H new ATOM 0 HG LEU A 96 0.745 -3.266 -1.443 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.677 -2.967 -1.727 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.140 -4.593 -2.211 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.970 -4.357 -0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.457 -1.715 0.039 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.669 -3.022 1.228 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.964 -2.434 0.833 1.00 0.00 H new ATOM 1513 N TYR A 97 2.278 -6.494 2.251 1.00 0.00 N ATOM 1514 CA TYR A 97 2.718 -7.729 2.878 1.00 0.00 C ATOM 1515 C TYR A 97 1.525 -8.560 3.352 1.00 0.00 C ATOM 1516 O TYR A 97 0.418 -8.042 3.487 1.00 0.00 O ATOM 1517 CB TYR A 97 3.549 -7.312 4.094 1.00 0.00 C ATOM 1518 CG TYR A 97 3.067 -6.023 4.764 1.00 0.00 C ATOM 1519 CD1 TYR A 97 2.059 -6.071 5.706 1.00 0.00 C ATOM 1520 CD2 TYR A 97 3.638 -4.814 4.427 1.00 0.00 C ATOM 1521 CE1 TYR A 97 1.606 -4.860 6.338 1.00 0.00 C ATOM 1522 CE2 TYR A 97 3.184 -3.602 5.058 1.00 0.00 C ATOM 1523 CZ TYR A 97 2.191 -3.684 5.983 1.00 0.00 C ATOM 1524 OH TYR A 97 1.761 -2.540 6.580 1.00 0.00 O ATOM 0 H TYR A 97 1.727 -5.883 2.854 1.00 0.00 H new ATOM 0 HA TYR A 97 3.285 -8.336 2.172 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.532 -8.119 4.827 1.00 0.00 H new ATOM 0 HB3 TYR A 97 4.586 -7.183 3.786 1.00 0.00 H new ATOM 0 HD1 TYR A 97 1.610 -7.018 5.969 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.426 -4.776 3.689 1.00 0.00 H new ATOM 0 HE1 TYR A 97 0.819 -4.884 7.078 1.00 0.00 H new ATOM 0 HE2 TYR A 97 3.623 -2.649 4.802 1.00 0.00 H new ATOM 0 HH TYR A 97 2.149 -1.766 6.121 1.00 0.00 H new ATOM 1534 N ASN A 98 1.791 -9.835 3.592 1.00 0.00 N ATOM 1535 CA ASN A 98 0.752 -10.744 4.048 1.00 0.00 C ATOM 1536 C ASN A 98 0.055 -10.142 5.270 1.00 0.00 C ATOM 1537 O ASN A 98 0.600 -9.256 5.927 1.00 0.00 O ATOM 1538 CB ASN A 98 1.343 -12.095 4.458 1.00 0.00 C ATOM 1539 CG ASN A 98 0.532 -13.250 3.866 1.00 0.00 C ATOM 1540 OD1 ASN A 98 0.313 -13.339 2.670 1.00 0.00 O ATOM 1541 ND2 ASN A 98 0.100 -14.125 4.769 1.00 0.00 N ATOM 0 H ASN A 98 2.711 -10.261 3.479 1.00 0.00 H new ATOM 0 HA ASN A 98 0.049 -10.892 3.228 1.00 0.00 H new ATOM 0 HB2 ASN A 98 2.377 -12.161 4.120 1.00 0.00 H new ATOM 0 HB3 ASN A 98 1.357 -12.175 5.545 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -0.451 -14.931 4.475 1.00 0.00 H new ATOM 0 HD22 ASN A 98 0.320 -13.990 5.756 1.00 0.00 H new ATOM 1548 N ASN A 99 -1.140 -10.648 5.538 1.00 0.00 N ATOM 1549 CA ASN A 99 -1.917 -10.171 6.670 1.00 0.00 C ATOM 1550 C ASN A 99 -1.859 -8.642 6.715 1.00 0.00 C ATOM 1551 O ASN A 99 -1.333 -8.066 7.666 1.00 0.00 O ATOM 1552 CB ASN A 99 -1.354 -10.705 7.988 1.00 0.00 C ATOM 1553 CG ASN A 99 -2.058 -11.999 8.401 1.00 0.00 C ATOM 1554 OD1 ASN A 99 -2.778 -12.059 9.384 1.00 0.00 O ATOM 1555 ND2 ASN A 99 -1.812 -13.029 7.596 1.00 0.00 N ATOM 0 H ASN A 99 -1.589 -11.383 4.991 1.00 0.00 H new ATOM 0 HA ASN A 99 -2.942 -10.521 6.548 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -0.284 -10.886 7.884 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -1.476 -9.955 8.770 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -2.236 -13.937 7.785 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -1.199 -12.911 6.789 1.00 0.00 H new ATOM 1562 N PHE A 100 -2.409 -8.031 5.676 1.00 0.00 N ATOM 1563 CA PHE A 100 -2.426 -6.580 5.586 1.00 0.00 C ATOM 1564 C PHE A 100 -3.788 -6.022 6.002 1.00 0.00 C ATOM 1565 O PHE A 100 -4.827 -6.577 5.648 1.00 0.00 O ATOM 1566 CB PHE A 100 -2.167 -6.220 4.121 1.00 0.00 C ATOM 1567 CG PHE A 100 -2.216 -4.719 3.832 1.00 0.00 C ATOM 1568 CD1 PHE A 100 -3.413 -4.104 3.631 1.00 0.00 C ATOM 1569 CD2 PHE A 100 -1.064 -3.999 3.774 1.00 0.00 C ATOM 1570 CE1 PHE A 100 -3.458 -2.710 3.363 1.00 0.00 C ATOM 1571 CE2 PHE A 100 -1.110 -2.606 3.506 1.00 0.00 C ATOM 1572 CZ PHE A 100 -2.307 -1.990 3.305 1.00 0.00 C ATOM 0 H PHE A 100 -2.846 -8.513 4.890 1.00 0.00 H new ATOM 0 HA PHE A 100 -1.671 -6.157 6.249 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -1.189 -6.604 3.830 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -2.905 -6.724 3.498 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -4.328 -4.676 3.675 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -0.114 -4.487 3.932 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -4.408 -2.222 3.205 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -0.195 -2.034 3.462 1.00 0.00 H new ATOM 0 HZ PHE A 100 -2.342 -0.930 3.100 1.00 0.00 H new ATOM 1582 N VAL A 101 -3.740 -4.929 6.750 1.00 0.00 N ATOM 1583 CA VAL A 101 -4.957 -4.288 7.219 1.00 0.00 C ATOM 1584 C VAL A 101 -4.959 -2.823 6.780 1.00 0.00 C ATOM 1585 O VAL A 101 -3.902 -2.239 6.548 1.00 0.00 O ATOM 1586 CB VAL A 101 -5.087 -4.458 8.734 1.00 0.00 C ATOM 1587 CG1 VAL A 101 -3.851 -3.918 9.454 1.00 0.00 C ATOM 1588 CG2 VAL A 101 -6.362 -3.789 9.253 1.00 0.00 C ATOM 0 H VAL A 101 -2.877 -4.471 7.043 1.00 0.00 H new ATOM 0 HA VAL A 101 -5.833 -4.761 6.775 1.00 0.00 H new ATOM 0 HB VAL A 101 -5.158 -5.525 8.947 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -3.969 -4.051 10.529 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.968 -4.460 9.116 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -3.734 -2.858 9.230 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.430 -3.924 10.332 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -6.334 -2.724 9.022 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.231 -4.241 8.775 1.00 0.00 H new ATOM 1598 N TYR A 102 -6.159 -2.271 6.677 1.00 0.00 N ATOM 1599 CA TYR A 102 -6.313 -0.884 6.269 1.00 0.00 C ATOM 1600 C TYR A 102 -7.028 -0.071 7.350 1.00 0.00 C ATOM 1601 O TYR A 102 -8.193 -0.325 7.654 1.00 0.00 O ATOM 1602 CB TYR A 102 -7.181 -0.910 5.009 1.00 0.00 C ATOM 1603 CG TYR A 102 -6.699 0.031 3.903 1.00 0.00 C ATOM 1604 CD1 TYR A 102 -5.974 1.160 4.225 1.00 0.00 C ATOM 1605 CD2 TYR A 102 -6.989 -0.249 2.584 1.00 0.00 C ATOM 1606 CE1 TYR A 102 -5.520 2.046 3.185 1.00 0.00 C ATOM 1607 CE2 TYR A 102 -6.536 0.637 1.543 1.00 0.00 C ATOM 1608 CZ TYR A 102 -5.823 1.740 1.894 1.00 0.00 C ATOM 1609 OH TYR A 102 -5.396 2.577 0.911 1.00 0.00 O ATOM 0 H TYR A 102 -7.034 -2.759 6.869 1.00 0.00 H new ATOM 0 HA TYR A 102 -5.340 -0.423 6.097 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -7.208 -1.928 4.620 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -8.203 -0.644 5.279 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -5.747 1.379 5.258 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -7.556 -1.133 2.332 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -4.952 2.933 3.424 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -6.758 0.430 0.507 1.00 0.00 H new ATOM 0 HH TYR A 102 -5.981 2.489 0.130 1.00 0.00 H new ATOM 1619 N ASN A 103 -6.300 0.890 7.901 1.00 0.00 N ATOM 1620 CA ASN A 103 -6.850 1.742 8.941 1.00 0.00 C ATOM 1621 C ASN A 103 -7.553 2.938 8.296 1.00 0.00 C ATOM 1622 O ASN A 103 -7.174 3.374 7.211 1.00 0.00 O ATOM 1623 CB ASN A 103 -5.746 2.279 9.854 1.00 0.00 C ATOM 1624 CG ASN A 103 -5.807 1.620 11.234 1.00 0.00 C ATOM 1625 OD1 ASN A 103 -6.224 2.211 12.215 1.00 0.00 O ATOM 1626 ND2 ASN A 103 -5.365 0.365 11.253 1.00 0.00 N ATOM 0 H ASN A 103 -5.334 1.097 7.646 1.00 0.00 H new ATOM 0 HA ASN A 103 -7.548 1.147 9.530 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -4.772 2.093 9.401 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -5.848 3.359 9.958 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -5.362 -0.162 12.127 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -5.029 -0.070 10.394 1.00 0.00 H new ATOM 1633 N SER A 104 -8.567 3.432 8.991 1.00 0.00 N ATOM 1634 CA SER A 104 -9.327 4.570 8.501 1.00 0.00 C ATOM 1635 C SER A 104 -10.037 5.266 9.662 1.00 0.00 C ATOM 1636 O SER A 104 -11.241 5.095 9.852 1.00 0.00 O ATOM 1637 CB SER A 104 -10.343 4.137 7.441 1.00 0.00 C ATOM 1638 OG SER A 104 -11.246 3.153 7.938 1.00 0.00 O ATOM 0 H SER A 104 -8.880 3.065 9.890 1.00 0.00 H new ATOM 0 HA SER A 104 -8.632 5.270 8.037 1.00 0.00 H new ATOM 0 HB2 SER A 104 -10.905 5.007 7.101 1.00 0.00 H new ATOM 0 HB3 SER A 104 -9.815 3.740 6.574 1.00 0.00 H new ATOM 0 HG SER A 104 -11.637 3.464 8.781 1.00 0.00 H new ATOM 1644 N PRO A 105 -9.243 6.057 10.431 1.00 0.00 N ATOM 1645 CA PRO A 105 -9.782 6.780 11.569 1.00 0.00 C ATOM 1646 C PRO A 105 -10.602 7.988 11.113 1.00 0.00 C ATOM 1647 O PRO A 105 -11.329 8.586 11.906 1.00 0.00 O ATOM 1648 CB PRO A 105 -8.570 7.166 12.402 1.00 0.00 C ATOM 1649 CG PRO A 105 -7.373 7.053 11.472 1.00 0.00 C ATOM 1650 CD PRO A 105 -7.813 6.284 10.236 1.00 0.00 C ATOM 0 HA PRO A 105 -10.477 6.180 12.156 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -8.669 8.180 12.790 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -8.460 6.505 13.262 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.009 8.043 11.196 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -6.551 6.538 11.969 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -7.623 6.854 9.326 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.272 5.343 10.142 1.00 0.00 H new ATOM 1658 N ARG A 106 -10.458 8.313 9.837 1.00 0.00 N ATOM 1659 CA ARG A 106 -11.176 9.439 9.265 1.00 0.00 C ATOM 1660 C ARG A 106 -12.199 8.950 8.237 1.00 0.00 C ATOM 1661 O ARG A 106 -12.532 7.766 8.201 1.00 0.00 O ATOM 1662 CB ARG A 106 -10.216 10.421 8.592 1.00 0.00 C ATOM 1663 CG ARG A 106 -10.616 11.869 8.886 1.00 0.00 C ATOM 1664 CD ARG A 106 -9.492 12.613 9.608 1.00 0.00 C ATOM 1665 NE ARG A 106 -9.550 14.056 9.284 1.00 0.00 N ATOM 1666 CZ ARG A 106 -9.135 14.583 8.125 1.00 0.00 C ATOM 1667 NH1 ARG A 106 -8.628 13.789 7.171 1.00 0.00 N ATOM 1668 NH2 ARG A 106 -9.226 15.904 7.918 1.00 0.00 N ATOM 0 H ARG A 106 -9.854 7.816 9.182 1.00 0.00 H new ATOM 0 HA ARG A 106 -11.690 9.952 10.078 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -9.200 10.242 8.945 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -10.214 10.252 7.515 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -10.855 12.380 7.954 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -11.518 11.884 9.498 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -9.583 12.470 10.685 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -8.526 12.204 9.313 1.00 0.00 H new ATOM 0 HE ARG A 106 -9.930 14.689 9.988 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -8.558 12.784 7.328 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -8.312 14.190 6.288 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -9.612 16.509 8.643 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -8.910 16.305 7.035 1.00 0.00 H new ATOM 1682 N GLY A 107 -12.667 9.886 7.424 1.00 0.00 N ATOM 1683 CA GLY A 107 -13.644 9.566 6.398 1.00 0.00 C ATOM 1684 C GLY A 107 -12.957 9.166 5.091 1.00 0.00 C ATOM 1685 O GLY A 107 -13.389 8.232 4.417 1.00 0.00 O ATOM 0 H GLY A 107 -12.387 10.866 7.455 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -14.283 8.752 6.741 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -14.290 10.427 6.225 1.00 0.00 H new ATOM 1689 N TYR A 108 -11.895 9.893 4.773 1.00 0.00 N ATOM 1690 CA TYR A 108 -11.143 9.627 3.558 1.00 0.00 C ATOM 1691 C TYR A 108 -9.638 9.751 3.808 1.00 0.00 C ATOM 1692 O TYR A 108 -8.910 10.292 2.975 1.00 0.00 O ATOM 1693 CB TYR A 108 -11.572 10.696 2.553 1.00 0.00 C ATOM 1694 CG TYR A 108 -11.246 12.126 2.988 1.00 0.00 C ATOM 1695 CD1 TYR A 108 -12.123 12.817 3.800 1.00 0.00 C ATOM 1696 CD2 TYR A 108 -10.076 12.725 2.569 1.00 0.00 C ATOM 1697 CE1 TYR A 108 -11.817 14.163 4.209 1.00 0.00 C ATOM 1698 CE2 TYR A 108 -9.769 14.071 2.978 1.00 0.00 C ATOM 1699 CZ TYR A 108 -10.655 14.724 3.779 1.00 0.00 C ATOM 1700 OH TYR A 108 -10.365 15.995 4.166 1.00 0.00 O ATOM 0 H TYR A 108 -11.538 10.665 5.335 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.337 8.616 3.199 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -11.086 10.498 1.598 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -12.646 10.614 2.387 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -13.039 12.348 4.128 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -9.390 12.184 1.934 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -12.495 14.715 4.843 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -8.857 14.551 2.657 1.00 0.00 H new ATOM 0 HH TYR A 108 -9.503 16.265 3.785 1.00 0.00 H new ATOM 1710 N PHE A 109 -9.216 9.244 4.956 1.00 0.00 N ATOM 1711 CA PHE A 109 -7.813 9.292 5.325 1.00 0.00 C ATOM 1712 C PHE A 109 -7.379 7.991 6.003 1.00 0.00 C ATOM 1713 O PHE A 109 -7.717 7.747 7.160 1.00 0.00 O ATOM 1714 CB PHE A 109 -7.649 10.448 6.314 1.00 0.00 C ATOM 1715 CG PHE A 109 -6.194 10.845 6.572 1.00 0.00 C ATOM 1716 CD1 PHE A 109 -5.423 10.099 7.406 1.00 0.00 C ATOM 1717 CD2 PHE A 109 -5.673 11.947 5.967 1.00 0.00 C ATOM 1718 CE1 PHE A 109 -4.072 10.467 7.646 1.00 0.00 C ATOM 1719 CE2 PHE A 109 -4.322 12.315 6.206 1.00 0.00 C ATOM 1720 CZ PHE A 109 -3.551 11.568 7.041 1.00 0.00 C ATOM 0 H PHE A 109 -9.822 8.797 5.644 1.00 0.00 H new ATOM 0 HA PHE A 109 -7.199 9.428 4.435 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -8.190 11.316 5.936 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -8.113 10.171 7.261 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -5.838 9.225 7.887 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -6.286 12.541 5.306 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -3.459 9.873 8.308 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -3.907 13.188 5.725 1.00 0.00 H new ATOM 0 HZ PHE A 109 -2.524 11.849 7.224 1.00 0.00 H new ATOM 1730 N HIS A 110 -6.634 7.190 5.254 1.00 0.00 N ATOM 1731 CA HIS A 110 -6.151 5.921 5.769 1.00 0.00 C ATOM 1732 C HIS A 110 -4.674 6.049 6.149 1.00 0.00 C ATOM 1733 O HIS A 110 -3.934 6.811 5.528 1.00 0.00 O ATOM 1734 CB HIS A 110 -6.408 4.794 4.766 1.00 0.00 C ATOM 1735 CG HIS A 110 -7.796 4.807 4.171 1.00 0.00 C ATOM 1736 ND1 HIS A 110 -8.111 4.159 2.989 1.00 0.00 N ATOM 1737 CD2 HIS A 110 -8.947 5.394 4.607 1.00 0.00 C ATOM 1738 CE1 HIS A 110 -9.397 4.355 2.735 1.00 0.00 C ATOM 1739 NE2 HIS A 110 -9.913 5.121 3.739 1.00 0.00 N ATOM 0 H HIS A 110 -6.354 7.396 4.295 1.00 0.00 H new ATOM 0 HA HIS A 110 -6.702 5.659 6.672 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -5.678 4.865 3.960 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -6.245 3.837 5.261 1.00 0.00 H new ATOM 0 HD1 HIS A 110 -7.464 3.622 2.412 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -9.054 5.982 5.507 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -9.941 3.975 1.883 1.00 0.00 H new ATOM 1747 N THR A 111 -4.290 5.294 7.167 1.00 0.00 N ATOM 1748 CA THR A 111 -2.916 5.315 7.638 1.00 0.00 C ATOM 1749 C THR A 111 -2.214 4.000 7.292 1.00 0.00 C ATOM 1750 O THR A 111 -2.868 2.977 7.095 1.00 0.00 O ATOM 1751 CB THR A 111 -2.933 5.618 9.137 1.00 0.00 C ATOM 1752 OG1 THR A 111 -4.041 4.868 9.630 1.00 0.00 O ATOM 1753 CG2 THR A 111 -3.306 7.072 9.436 1.00 0.00 C ATOM 0 H THR A 111 -4.907 4.663 7.679 1.00 0.00 H new ATOM 0 HA THR A 111 -2.340 6.096 7.141 1.00 0.00 H new ATOM 0 HB THR A 111 -1.954 5.399 9.563 1.00 0.00 H new ATOM 0 HG1 THR A 111 -4.125 5.005 10.597 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.303 7.234 10.514 1.00 0.00 H new ATOM 0 HG22 THR A 111 -2.581 7.737 8.967 1.00 0.00 H new ATOM 0 HG23 THR A 111 -4.300 7.282 9.040 1.00 0.00 H new ATOM 1761 N PHE A 112 -0.893 4.070 7.229 1.00 0.00 N ATOM 1762 CA PHE A 112 -0.095 2.898 6.911 1.00 0.00 C ATOM 1763 C PHE A 112 1.241 2.925 7.656 1.00 0.00 C ATOM 1764 O PHE A 112 1.598 3.933 8.263 1.00 0.00 O ATOM 1765 CB PHE A 112 0.173 2.934 5.405 1.00 0.00 C ATOM 1766 CG PHE A 112 1.151 1.862 4.921 1.00 0.00 C ATOM 1767 CD1 PHE A 112 0.808 0.548 4.990 1.00 0.00 C ATOM 1768 CD2 PHE A 112 2.363 2.223 4.421 1.00 0.00 C ATOM 1769 CE1 PHE A 112 1.715 -0.447 4.541 1.00 0.00 C ATOM 1770 CE2 PHE A 112 3.271 1.228 3.971 1.00 0.00 C ATOM 1771 CZ PHE A 112 2.927 -0.087 4.041 1.00 0.00 C ATOM 0 H PHE A 112 -0.355 4.921 7.393 1.00 0.00 H new ATOM 0 HA PHE A 112 -0.627 1.994 7.208 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -0.772 2.815 4.875 1.00 0.00 H new ATOM 0 HB3 PHE A 112 0.565 3.916 5.140 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -0.155 0.261 5.387 1.00 0.00 H new ATOM 0 HD2 PHE A 112 2.635 3.267 4.366 1.00 0.00 H new ATOM 0 HE1 PHE A 112 1.442 -1.491 4.597 1.00 0.00 H new ATOM 0 HE2 PHE A 112 4.234 1.515 3.574 1.00 0.00 H new ATOM 0 HZ PHE A 112 3.617 -0.845 3.699 1.00 0.00 H new ATOM 1781 N ALA A 113 1.944 1.803 7.586 1.00 0.00 N ATOM 1782 CA ALA A 113 3.232 1.686 8.246 1.00 0.00 C ATOM 1783 C ALA A 113 4.262 1.142 7.254 1.00 0.00 C ATOM 1784 O ALA A 113 4.111 0.031 6.744 1.00 0.00 O ATOM 1785 CB ALA A 113 3.092 0.800 9.485 1.00 0.00 C ATOM 0 H ALA A 113 1.645 0.968 7.082 1.00 0.00 H new ATOM 0 HA ALA A 113 3.581 2.663 8.581 1.00 0.00 H new ATOM 0 HB1 ALA A 113 4.059 0.712 9.981 1.00 0.00 H new ATOM 0 HB2 ALA A 113 2.372 1.245 10.171 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.746 -0.190 9.187 1.00 0.00 H new ATOM 1791 N GLY A 114 5.284 1.948 7.007 1.00 0.00 N ATOM 1792 CA GLY A 114 6.337 1.562 6.085 1.00 0.00 C ATOM 1793 C GLY A 114 7.336 0.616 6.757 1.00 0.00 C ATOM 1794 O GLY A 114 7.009 -0.033 7.749 1.00 0.00 O ATOM 0 H GLY A 114 5.405 2.868 7.430 1.00 0.00 H new ATOM 0 HA2 GLY A 114 5.901 1.076 5.212 1.00 0.00 H new ATOM 0 HA3 GLY A 114 6.857 2.451 5.728 1.00 0.00 H new ATOM 1798 N ASP A 115 8.532 0.571 6.189 1.00 0.00 N ATOM 1799 CA ASP A 115 9.580 -0.284 6.721 1.00 0.00 C ATOM 1800 C ASP A 115 9.681 -0.077 8.234 1.00 0.00 C ATOM 1801 O ASP A 115 9.522 -1.022 9.006 1.00 0.00 O ATOM 1802 CB ASP A 115 10.937 0.061 6.105 1.00 0.00 C ATOM 1803 CG ASP A 115 11.922 -1.107 6.015 1.00 0.00 C ATOM 1804 OD1 ASP A 115 11.527 -2.138 5.428 1.00 0.00 O ATOM 1805 OD2 ASP A 115 13.046 -0.943 6.534 1.00 0.00 O ATOM 0 H ASP A 115 8.799 1.112 5.367 1.00 0.00 H new ATOM 0 HA ASP A 115 9.327 -1.317 6.482 1.00 0.00 H new ATOM 0 HB2 ASP A 115 10.774 0.457 5.103 1.00 0.00 H new ATOM 0 HB3 ASP A 115 11.394 0.858 6.692 1.00 0.00 H new ATOM 1810 N THR A 116 9.947 1.164 8.613 1.00 0.00 N ATOM 1811 CA THR A 116 10.072 1.507 10.019 1.00 0.00 C ATOM 1812 C THR A 116 9.638 2.955 10.256 1.00 0.00 C ATOM 1813 O THR A 116 10.010 3.562 11.259 1.00 0.00 O ATOM 1814 CB THR A 116 11.513 1.226 10.449 1.00 0.00 C ATOM 1815 OG1 THR A 116 12.287 2.158 9.698 1.00 0.00 O ATOM 1816 CG2 THR A 116 12.010 -0.140 9.972 1.00 0.00 C ATOM 0 H THR A 116 10.080 1.945 7.970 1.00 0.00 H new ATOM 0 HA THR A 116 9.410 0.898 10.634 1.00 0.00 H new ATOM 0 HB THR A 116 11.585 1.280 11.535 1.00 0.00 H new ATOM 0 HG1 THR A 116 13.236 2.047 9.917 1.00 0.00 H new ATOM 0 HG21 THR A 116 13.038 -0.289 10.304 1.00 0.00 H new ATOM 0 HG22 THR A 116 11.377 -0.923 10.388 1.00 0.00 H new ATOM 0 HG23 THR A 116 11.970 -0.182 8.884 1.00 0.00 H new ATOM 1824 N CYS A 117 8.860 3.468 9.315 1.00 0.00 N ATOM 1825 CA CYS A 117 8.372 4.834 9.409 1.00 0.00 C ATOM 1826 C CYS A 117 6.853 4.814 9.230 1.00 0.00 C ATOM 1827 O CYS A 117 6.318 3.970 8.512 1.00 0.00 O ATOM 1828 CB CYS A 117 9.055 5.749 8.390 1.00 0.00 C ATOM 1829 SG CYS A 117 9.648 7.270 9.215 1.00 0.00 S ATOM 0 H CYS A 117 8.555 2.963 8.483 1.00 0.00 H new ATOM 0 HA CYS A 117 8.616 5.244 10.389 1.00 0.00 H new ATOM 0 HB2 CYS A 117 9.892 5.228 7.924 1.00 0.00 H new ATOM 0 HB3 CYS A 117 8.356 6.006 7.594 1.00 0.00 H new ATOM 0 HG CYS A 117 10.228 8.039 8.342 1.00 0.00 H new ATOM 1835 N GLN A 118 6.198 5.755 9.897 1.00 0.00 N ATOM 1836 CA GLN A 118 4.751 5.856 9.820 1.00 0.00 C ATOM 1837 C GLN A 118 4.345 6.853 8.733 1.00 0.00 C ATOM 1838 O GLN A 118 4.765 8.009 8.758 1.00 0.00 O ATOM 1839 CB GLN A 118 4.158 6.249 11.175 1.00 0.00 C ATOM 1840 CG GLN A 118 2.660 6.540 11.054 1.00 0.00 C ATOM 1841 CD GLN A 118 1.863 5.246 10.876 1.00 0.00 C ATOM 1842 OE1 GLN A 118 2.394 4.148 10.926 1.00 0.00 O ATOM 1843 NE2 GLN A 118 0.564 5.435 10.666 1.00 0.00 N ATOM 0 H GLN A 118 6.643 6.453 10.492 1.00 0.00 H new ATOM 0 HA GLN A 118 4.351 4.878 9.554 1.00 0.00 H new ATOM 0 HB2 GLN A 118 4.319 5.445 11.893 1.00 0.00 H new ATOM 0 HB3 GLN A 118 4.673 7.129 11.560 1.00 0.00 H new ATOM 0 HG2 GLN A 118 2.315 7.064 11.945 1.00 0.00 H new ATOM 0 HG3 GLN A 118 2.482 7.201 10.206 1.00 0.00 H new ATOM 0 HE21 GLN A 118 0.185 6.381 10.636 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -0.053 4.634 10.535 1.00 0.00 H new ATOM 1852 N VAL A 119 3.534 6.369 7.805 1.00 0.00 N ATOM 1853 CA VAL A 119 3.067 7.204 6.711 1.00 0.00 C ATOM 1854 C VAL A 119 1.549 7.057 6.575 1.00 0.00 C ATOM 1855 O VAL A 119 1.001 5.985 6.825 1.00 0.00 O ATOM 1856 CB VAL A 119 3.819 6.851 5.425 1.00 0.00 C ATOM 1857 CG1 VAL A 119 5.312 7.158 5.562 1.00 0.00 C ATOM 1858 CG2 VAL A 119 3.592 5.388 5.042 1.00 0.00 C ATOM 0 H VAL A 119 3.188 5.410 7.787 1.00 0.00 H new ATOM 0 HA VAL A 119 3.275 8.254 6.916 1.00 0.00 H new ATOM 0 HB VAL A 119 3.422 7.472 4.622 1.00 0.00 H new ATOM 0 HG11 VAL A 119 5.823 6.898 4.635 1.00 0.00 H new ATOM 0 HG12 VAL A 119 5.448 8.220 5.766 1.00 0.00 H new ATOM 0 HG13 VAL A 119 5.730 6.575 6.383 1.00 0.00 H new ATOM 0 HG21 VAL A 119 4.137 5.163 4.125 1.00 0.00 H new ATOM 0 HG22 VAL A 119 3.949 4.742 5.844 1.00 0.00 H new ATOM 0 HG23 VAL A 119 2.528 5.214 4.883 1.00 0.00 H new ATOM 1868 N ALA A 120 0.915 8.151 6.179 1.00 0.00 N ATOM 1869 CA ALA A 120 -0.529 8.157 6.007 1.00 0.00 C ATOM 1870 C ALA A 120 -0.865 8.558 4.569 1.00 0.00 C ATOM 1871 O ALA A 120 -0.017 9.093 3.856 1.00 0.00 O ATOM 1872 CB ALA A 120 -1.161 9.095 7.036 1.00 0.00 C ATOM 0 H ALA A 120 1.373 9.038 5.972 1.00 0.00 H new ATOM 0 HA ALA A 120 -0.940 7.162 6.177 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -2.243 9.100 6.907 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -0.916 8.751 8.041 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -0.774 10.104 6.894 1.00 0.00 H new ATOM 1878 N LEU A 121 -2.102 8.283 4.186 1.00 0.00 N ATOM 1879 CA LEU A 121 -2.561 8.608 2.846 1.00 0.00 C ATOM 1880 C LEU A 121 -3.942 9.261 2.928 1.00 0.00 C ATOM 1881 O LEU A 121 -4.807 8.800 3.670 1.00 0.00 O ATOM 1882 CB LEU A 121 -2.520 7.369 1.950 1.00 0.00 C ATOM 1883 CG LEU A 121 -3.281 6.145 2.463 1.00 0.00 C ATOM 1884 CD1 LEU A 121 -3.974 5.408 1.315 1.00 0.00 C ATOM 1885 CD2 LEU A 121 -2.359 5.221 3.263 1.00 0.00 C ATOM 0 H LEU A 121 -2.802 7.838 4.780 1.00 0.00 H new ATOM 0 HA LEU A 121 -1.892 9.332 2.381 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -2.921 7.638 0.973 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -1.478 7.088 1.800 1.00 0.00 H new ATOM 0 HG LEU A 121 -4.061 6.489 3.142 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -4.507 4.542 1.708 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -4.681 6.079 0.826 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -3.228 5.077 0.592 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.925 4.359 3.616 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -1.542 4.882 2.626 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -1.953 5.763 4.117 1.00 0.00 H new ATOM 1897 N ASN A 122 -4.104 10.326 2.157 1.00 0.00 N ATOM 1898 CA ASN A 122 -5.365 11.048 2.134 1.00 0.00 C ATOM 1899 C ASN A 122 -5.830 11.207 0.685 1.00 0.00 C ATOM 1900 O ASN A 122 -5.135 11.813 -0.131 1.00 0.00 O ATOM 1901 CB ASN A 122 -5.212 12.445 2.737 1.00 0.00 C ATOM 1902 CG ASN A 122 -4.203 13.278 1.943 1.00 0.00 C ATOM 1903 OD1 ASN A 122 -3.065 12.891 1.738 1.00 0.00 O ATOM 1904 ND2 ASN A 122 -4.683 14.440 1.510 1.00 0.00 N ATOM 0 H ASN A 122 -3.383 10.706 1.544 1.00 0.00 H new ATOM 0 HA ASN A 122 -6.089 10.481 2.719 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -6.178 12.949 2.745 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -4.886 12.364 3.774 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -4.088 15.068 0.971 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -5.647 14.703 1.717 1.00 0.00 H new ATOM 1911 N PHE A 123 -7.001 10.655 0.408 1.00 0.00 N ATOM 1912 CA PHE A 123 -7.567 10.728 -0.929 1.00 0.00 C ATOM 1913 C PHE A 123 -8.090 12.134 -1.225 1.00 0.00 C ATOM 1914 O PHE A 123 -8.307 12.926 -0.310 1.00 0.00 O ATOM 1915 CB PHE A 123 -8.736 9.741 -0.975 1.00 0.00 C ATOM 1916 CG PHE A 123 -8.366 8.318 -0.552 1.00 0.00 C ATOM 1917 CD1 PHE A 123 -7.924 7.427 -1.479 1.00 0.00 C ATOM 1918 CD2 PHE A 123 -8.478 7.945 0.751 1.00 0.00 C ATOM 1919 CE1 PHE A 123 -7.580 6.106 -1.086 1.00 0.00 C ATOM 1920 CE2 PHE A 123 -8.135 6.625 1.144 1.00 0.00 C ATOM 1921 CZ PHE A 123 -7.693 5.732 0.217 1.00 0.00 C ATOM 0 H PHE A 123 -7.575 10.155 1.087 1.00 0.00 H new ATOM 0 HA PHE A 123 -6.804 10.489 -1.670 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -9.532 10.106 -0.327 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -9.137 9.715 -1.988 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -7.834 7.723 -2.514 1.00 0.00 H new ATOM 0 HD2 PHE A 123 -8.828 8.654 1.487 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -7.229 5.398 -1.822 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -8.225 6.329 2.179 1.00 0.00 H new ATOM 0 HZ PHE A 123 -7.432 4.727 0.516 1.00 0.00 H new ATOM 1931 N ALA A 124 -8.278 12.403 -2.509 1.00 0.00 N ATOM 1932 CA ALA A 124 -8.773 13.700 -2.940 1.00 0.00 C ATOM 1933 C ALA A 124 -10.302 13.692 -2.914 1.00 0.00 C ATOM 1934 O ALA A 124 -10.933 14.748 -2.931 1.00 0.00 O ATOM 1935 CB ALA A 124 -8.214 14.026 -4.326 1.00 0.00 C ATOM 0 H ALA A 124 -8.096 11.744 -3.266 1.00 0.00 H new ATOM 0 HA ALA A 124 -8.436 14.484 -2.261 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -8.586 14.999 -4.649 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -7.125 14.050 -4.283 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -8.532 13.262 -5.036 1.00 0.00 H new ATOM 1941 N ASN A 125 -10.855 12.489 -2.874 1.00 0.00 N ATOM 1942 CA ASN A 125 -12.300 12.330 -2.845 1.00 0.00 C ATOM 1943 C ASN A 125 -12.680 11.362 -1.723 1.00 0.00 C ATOM 1944 O ASN A 125 -11.912 10.461 -1.388 1.00 0.00 O ATOM 1945 CB ASN A 125 -12.815 11.750 -4.164 1.00 0.00 C ATOM 1946 CG ASN A 125 -13.819 12.697 -4.824 1.00 0.00 C ATOM 1947 OD1 ASN A 125 -15.024 12.558 -4.690 1.00 0.00 O ATOM 1948 ND2 ASN A 125 -13.257 13.666 -5.541 1.00 0.00 N ATOM 0 H ASN A 125 -10.329 11.615 -2.861 1.00 0.00 H new ATOM 0 HA ASN A 125 -12.745 13.312 -2.683 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -11.978 11.574 -4.839 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -13.286 10.784 -3.981 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -13.842 14.351 -6.020 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -12.241 13.725 -5.612 1.00 0.00 H new ATOM 1955 N GLU A 126 -13.865 11.583 -1.171 1.00 0.00 N ATOM 1956 CA GLU A 126 -14.356 10.741 -0.094 1.00 0.00 C ATOM 1957 C GLU A 126 -14.827 9.394 -0.644 1.00 0.00 C ATOM 1958 O GLU A 126 -14.424 8.342 -0.150 1.00 0.00 O ATOM 1959 CB GLU A 126 -15.477 11.440 0.679 1.00 0.00 C ATOM 1960 CG GLU A 126 -15.697 10.779 2.042 1.00 0.00 C ATOM 1961 CD GLU A 126 -16.967 11.312 2.710 1.00 0.00 C ATOM 1962 OE1 GLU A 126 -18.057 11.013 2.177 1.00 0.00 O ATOM 1963 OE2 GLU A 126 -16.817 12.006 3.739 1.00 0.00 O ATOM 0 H GLU A 126 -14.498 12.332 -1.450 1.00 0.00 H new ATOM 0 HA GLU A 126 -13.537 10.560 0.601 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -15.228 12.492 0.817 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -16.400 11.404 0.100 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -15.772 9.699 1.919 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -14.837 10.967 2.685 1.00 0.00 H new ATOM 1970 N GLU A 127 -15.674 9.470 -1.660 1.00 0.00 N ATOM 1971 CA GLU A 127 -16.204 8.268 -2.284 1.00 0.00 C ATOM 1972 C GLU A 127 -15.062 7.371 -2.764 1.00 0.00 C ATOM 1973 O GLU A 127 -15.042 6.176 -2.473 1.00 0.00 O ATOM 1974 CB GLU A 127 -17.147 8.620 -3.435 1.00 0.00 C ATOM 1975 CG GLU A 127 -18.292 7.609 -3.534 1.00 0.00 C ATOM 1976 CD GLU A 127 -19.416 8.139 -4.428 1.00 0.00 C ATOM 1977 OE1 GLU A 127 -20.199 8.970 -3.921 1.00 0.00 O ATOM 1978 OE2 GLU A 127 -19.466 7.701 -5.597 1.00 0.00 O ATOM 0 H GLU A 127 -16.007 10.344 -2.067 1.00 0.00 H new ATOM 0 HA GLU A 127 -16.781 7.719 -1.540 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -17.552 9.621 -3.285 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -16.591 8.639 -4.373 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -17.917 6.667 -3.935 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -18.683 7.398 -2.539 1.00 0.00 H new ATOM 1985 N GLU A 128 -14.138 7.981 -3.492 1.00 0.00 N ATOM 1986 CA GLU A 128 -12.996 7.253 -4.014 1.00 0.00 C ATOM 1987 C GLU A 128 -12.227 6.580 -2.874 1.00 0.00 C ATOM 1988 O GLU A 128 -11.598 5.543 -3.074 1.00 0.00 O ATOM 1989 CB GLU A 128 -12.081 8.175 -4.823 1.00 0.00 C ATOM 1990 CG GLU A 128 -12.625 8.382 -6.239 1.00 0.00 C ATOM 1991 CD GLU A 128 -14.071 8.879 -6.203 1.00 0.00 C ATOM 1992 OE1 GLU A 128 -14.245 10.110 -6.072 1.00 0.00 O ATOM 1993 OE2 GLU A 128 -14.970 8.017 -6.307 1.00 0.00 O ATOM 0 H GLU A 128 -14.158 8.972 -3.732 1.00 0.00 H new ATOM 0 HA GLU A 128 -13.362 6.477 -4.686 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -11.991 9.138 -4.320 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -11.080 7.747 -4.873 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -12.002 9.102 -6.770 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -12.572 7.445 -6.793 1.00 0.00 H new ATOM 2000 N ALA A 129 -12.304 7.199 -1.706 1.00 0.00 N ATOM 2001 CA ALA A 129 -11.624 6.674 -0.535 1.00 0.00 C ATOM 2002 C ALA A 129 -12.445 5.525 0.054 1.00 0.00 C ATOM 2003 O ALA A 129 -11.886 4.549 0.551 1.00 0.00 O ATOM 2004 CB ALA A 129 -11.396 7.804 0.473 1.00 0.00 C ATOM 0 H ALA A 129 -12.827 8.060 -1.545 1.00 0.00 H new ATOM 0 HA ALA A 129 -10.646 6.276 -0.806 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -10.886 7.410 1.352 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -10.784 8.581 0.016 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -12.356 8.226 0.770 1.00 0.00 H new ATOM 2010 N LYS A 130 -13.759 5.679 -0.023 1.00 0.00 N ATOM 2011 CA LYS A 130 -14.662 4.665 0.496 1.00 0.00 C ATOM 2012 C LYS A 130 -14.549 3.402 -0.358 1.00 0.00 C ATOM 2013 O LYS A 130 -14.440 2.297 0.172 1.00 0.00 O ATOM 2014 CB LYS A 130 -16.086 5.217 0.594 1.00 0.00 C ATOM 2015 CG LYS A 130 -16.715 4.873 1.946 1.00 0.00 C ATOM 2016 CD LYS A 130 -18.219 4.627 1.803 1.00 0.00 C ATOM 2017 CE LYS A 130 -18.956 4.969 3.099 1.00 0.00 C ATOM 2018 NZ LYS A 130 -20.074 4.025 3.324 1.00 0.00 N ATOM 0 H LYS A 130 -14.220 6.490 -0.436 1.00 0.00 H new ATOM 0 HA LYS A 130 -14.381 4.388 1.512 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -16.071 6.299 0.461 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -16.696 4.805 -0.210 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -16.235 3.986 2.359 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -16.541 5.687 2.650 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -18.614 5.231 0.986 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -18.397 3.583 1.543 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -18.263 4.929 3.940 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -19.338 5.989 3.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -20.564 4.271 4.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -20.743 4.083 2.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -19.702 3.056 3.393 1.00 0.00 H new ATOM 2032 N LYS A 131 -14.578 3.606 -1.667 1.00 0.00 N ATOM 2033 CA LYS A 131 -14.480 2.497 -2.601 1.00 0.00 C ATOM 2034 C LYS A 131 -13.104 1.842 -2.465 1.00 0.00 C ATOM 2035 O LYS A 131 -12.953 0.648 -2.716 1.00 0.00 O ATOM 2036 CB LYS A 131 -14.804 2.962 -4.022 1.00 0.00 C ATOM 2037 CG LYS A 131 -13.832 4.054 -4.475 1.00 0.00 C ATOM 2038 CD LYS A 131 -12.647 3.453 -5.234 1.00 0.00 C ATOM 2039 CE LYS A 131 -11.940 4.516 -6.078 1.00 0.00 C ATOM 2040 NZ LYS A 131 -10.763 3.936 -6.762 1.00 0.00 N ATOM 0 H LYS A 131 -14.668 4.524 -2.103 1.00 0.00 H new ATOM 0 HA LYS A 131 -15.221 1.733 -2.365 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -14.751 2.116 -4.707 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -15.826 3.340 -4.061 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -14.353 4.768 -5.113 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -13.470 4.607 -3.608 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -11.941 3.016 -4.527 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -12.995 2.645 -5.877 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -12.632 4.923 -6.815 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -11.627 5.344 -5.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -10.200 4.698 -7.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -10.180 3.421 -6.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -11.081 3.281 -7.505 1.00 0.00 H new ATOM 2054 N PHE A 132 -12.134 2.654 -2.069 1.00 0.00 N ATOM 2055 CA PHE A 132 -10.776 2.169 -1.898 1.00 0.00 C ATOM 2056 C PHE A 132 -10.703 1.126 -0.781 1.00 0.00 C ATOM 2057 O PHE A 132 -10.252 0.003 -1.004 1.00 0.00 O ATOM 2058 CB PHE A 132 -9.916 3.374 -1.511 1.00 0.00 C ATOM 2059 CG PHE A 132 -8.536 3.392 -2.171 1.00 0.00 C ATOM 2060 CD1 PHE A 132 -8.397 3.852 -3.443 1.00 0.00 C ATOM 2061 CD2 PHE A 132 -7.448 2.948 -1.486 1.00 0.00 C ATOM 2062 CE1 PHE A 132 -7.116 3.868 -4.057 1.00 0.00 C ATOM 2063 CE2 PHE A 132 -6.168 2.965 -2.099 1.00 0.00 C ATOM 2064 CZ PHE A 132 -6.029 3.425 -3.371 1.00 0.00 C ATOM 0 H PHE A 132 -12.262 3.644 -1.862 1.00 0.00 H new ATOM 0 HA PHE A 132 -10.429 1.701 -2.819 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -10.447 4.287 -1.779 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -9.790 3.384 -0.428 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -9.261 4.205 -3.987 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -7.558 2.583 -0.476 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -7.006 4.232 -5.068 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -5.304 2.612 -1.555 1.00 0.00 H new ATOM 0 HZ PHE A 132 -5.055 3.438 -3.837 1.00 0.00 H new ATOM 2074 N ARG A 133 -11.152 1.534 0.397 1.00 0.00 N ATOM 2075 CA ARG A 133 -11.143 0.648 1.548 1.00 0.00 C ATOM 2076 C ARG A 133 -12.061 -0.551 1.303 1.00 0.00 C ATOM 2077 O ARG A 133 -11.771 -1.661 1.748 1.00 0.00 O ATOM 2078 CB ARG A 133 -11.601 1.382 2.811 1.00 0.00 C ATOM 2079 CG ARG A 133 -10.972 0.765 4.062 1.00 0.00 C ATOM 2080 CD ARG A 133 -11.899 0.913 5.271 1.00 0.00 C ATOM 2081 NE ARG A 133 -12.075 -0.398 5.936 1.00 0.00 N ATOM 2082 CZ ARG A 133 -12.893 -0.607 6.977 1.00 0.00 C ATOM 2083 NH1 ARG A 133 -13.614 0.404 7.476 1.00 0.00 N ATOM 2084 NH2 ARG A 133 -12.989 -1.830 7.517 1.00 0.00 N ATOM 0 H ARG A 133 -11.524 2.466 0.579 1.00 0.00 H new ATOM 0 HA ARG A 133 -10.119 0.302 1.692 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -11.327 2.435 2.743 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -12.688 1.339 2.887 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -10.763 -0.290 3.886 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -10.017 1.248 4.270 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -11.481 1.634 5.974 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -12.866 1.302 4.953 1.00 0.00 H new ATOM 0 HE ARG A 133 -11.541 -1.191 5.580 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -13.541 1.334 7.064 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -14.236 0.244 8.268 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -12.440 -2.600 7.136 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -13.611 -1.990 8.309 1.00 0.00 H new ATOM 2098 N LYS A 134 -13.149 -0.288 0.595 1.00 0.00 N ATOM 2099 CA LYS A 134 -14.112 -1.332 0.286 1.00 0.00 C ATOM 2100 C LYS A 134 -13.452 -2.375 -0.619 1.00 0.00 C ATOM 2101 O LYS A 134 -13.598 -3.576 -0.397 1.00 0.00 O ATOM 2102 CB LYS A 134 -15.388 -0.727 -0.303 1.00 0.00 C ATOM 2103 CG LYS A 134 -16.631 -1.311 0.370 1.00 0.00 C ATOM 2104 CD LYS A 134 -17.776 -0.296 0.383 1.00 0.00 C ATOM 2105 CE LYS A 134 -19.105 -0.971 0.726 1.00 0.00 C ATOM 2106 NZ LYS A 134 -19.266 -1.080 2.194 1.00 0.00 N ATOM 0 H LYS A 134 -13.386 0.633 0.226 1.00 0.00 H new ATOM 0 HA LYS A 134 -14.421 -1.847 1.196 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -15.375 0.355 -0.175 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -15.425 -0.920 -1.375 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -16.945 -2.212 -0.157 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -16.391 -1.607 1.391 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -17.564 0.487 1.111 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -17.850 0.186 -0.592 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -19.931 -0.397 0.305 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -19.143 -1.963 0.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -20.173 -1.540 2.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -18.488 -1.646 2.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -19.251 -0.130 2.616 1.00 0.00 H new ATOM 2120 N ALA A 135 -12.740 -1.878 -1.621 1.00 0.00 N ATOM 2121 CA ALA A 135 -12.058 -2.752 -2.560 1.00 0.00 C ATOM 2122 C ALA A 135 -11.067 -3.637 -1.799 1.00 0.00 C ATOM 2123 O ALA A 135 -11.065 -4.855 -1.964 1.00 0.00 O ATOM 2124 CB ALA A 135 -11.376 -1.909 -3.638 1.00 0.00 C ATOM 0 H ALA A 135 -12.621 -0.881 -1.802 1.00 0.00 H new ATOM 0 HA ALA A 135 -12.770 -3.408 -3.060 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -10.864 -2.564 -4.343 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -12.125 -1.321 -4.168 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -10.652 -1.240 -3.173 1.00 0.00 H new ATOM 2130 N VAL A 136 -10.250 -2.988 -0.983 1.00 0.00 N ATOM 2131 CA VAL A 136 -9.257 -3.701 -0.197 1.00 0.00 C ATOM 2132 C VAL A 136 -9.953 -4.767 0.652 1.00 0.00 C ATOM 2133 O VAL A 136 -9.626 -5.949 0.562 1.00 0.00 O ATOM 2134 CB VAL A 136 -8.442 -2.711 0.639 1.00 0.00 C ATOM 2135 CG1 VAL A 136 -7.250 -3.405 1.302 1.00 0.00 C ATOM 2136 CG2 VAL A 136 -7.983 -1.524 -0.212 1.00 0.00 C ATOM 0 H VAL A 136 -10.255 -1.977 -0.849 1.00 0.00 H new ATOM 0 HA VAL A 136 -8.551 -4.215 -0.850 1.00 0.00 H new ATOM 0 HB VAL A 136 -9.087 -2.327 1.429 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -6.688 -2.680 1.890 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -7.609 -4.201 1.955 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -6.603 -3.830 0.534 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -7.406 -0.835 0.405 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -7.362 -1.883 -1.033 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -8.854 -1.007 -0.615 1.00 0.00 H new ATOM 2146 N THR A 137 -10.902 -4.309 1.457 1.00 0.00 N ATOM 2147 CA THR A 137 -11.648 -5.209 2.320 1.00 0.00 C ATOM 2148 C THR A 137 -12.217 -6.375 1.511 1.00 0.00 C ATOM 2149 O THR A 137 -12.116 -7.531 1.923 1.00 0.00 O ATOM 2150 CB THR A 137 -12.719 -4.390 3.043 1.00 0.00 C ATOM 2151 OG1 THR A 137 -13.232 -3.523 2.036 1.00 0.00 O ATOM 2152 CG2 THR A 137 -12.126 -3.441 4.086 1.00 0.00 C ATOM 0 H THR A 137 -11.171 -3.328 1.529 1.00 0.00 H new ATOM 0 HA THR A 137 -11.002 -5.662 3.072 1.00 0.00 H new ATOM 0 HB THR A 137 -13.426 -5.064 3.527 1.00 0.00 H new ATOM 0 HG1 THR A 137 -12.833 -2.634 2.135 1.00 0.00 H new ATOM 0 HG21 THR A 137 -12.929 -2.884 4.569 1.00 0.00 H new ATOM 0 HG22 THR A 137 -11.582 -4.017 4.835 1.00 0.00 H new ATOM 0 HG23 THR A 137 -11.444 -2.745 3.598 1.00 0.00 H new ATOM 2160 N ASP A 138 -12.805 -6.034 0.373 1.00 0.00 N ATOM 2161 CA ASP A 138 -13.391 -7.038 -0.499 1.00 0.00 C ATOM 2162 C ASP A 138 -12.343 -8.108 -0.813 1.00 0.00 C ATOM 2163 O ASP A 138 -12.619 -9.302 -0.708 1.00 0.00 O ATOM 2164 CB ASP A 138 -13.849 -6.420 -1.821 1.00 0.00 C ATOM 2165 CG ASP A 138 -15.365 -6.377 -2.023 1.00 0.00 C ATOM 2166 OD1 ASP A 138 -16.014 -7.384 -1.666 1.00 0.00 O ATOM 2167 OD2 ASP A 138 -15.840 -5.339 -2.531 1.00 0.00 O ATOM 0 H ASP A 138 -12.888 -5.075 0.035 1.00 0.00 H new ATOM 0 HA ASP A 138 -14.251 -7.470 0.013 1.00 0.00 H new ATOM 0 HB2 ASP A 138 -13.460 -5.404 -1.884 1.00 0.00 H new ATOM 0 HB3 ASP A 138 -13.404 -6.983 -2.641 1.00 0.00 H new ATOM 2172 N LEU A 139 -11.163 -7.641 -1.194 1.00 0.00 N ATOM 2173 CA LEU A 139 -10.072 -8.542 -1.525 1.00 0.00 C ATOM 2174 C LEU A 139 -9.682 -9.342 -0.281 1.00 0.00 C ATOM 2175 O LEU A 139 -9.469 -10.551 -0.358 1.00 0.00 O ATOM 2176 CB LEU A 139 -8.910 -7.769 -2.149 1.00 0.00 C ATOM 2177 CG LEU A 139 -9.227 -7.002 -3.435 1.00 0.00 C ATOM 2178 CD1 LEU A 139 -7.951 -6.701 -4.224 1.00 0.00 C ATOM 2179 CD2 LEU A 139 -10.260 -7.749 -4.279 1.00 0.00 C ATOM 0 H LEU A 139 -10.939 -6.650 -1.281 1.00 0.00 H new ATOM 0 HA LEU A 139 -10.388 -9.261 -2.281 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -8.533 -7.061 -1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -8.103 -8.471 -2.358 1.00 0.00 H new ATOM 0 HG LEU A 139 -9.668 -6.044 -3.160 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -8.205 -6.156 -5.133 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -7.280 -6.097 -3.614 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -7.458 -7.636 -4.488 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -10.467 -7.182 -5.187 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -9.870 -8.731 -4.546 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -11.180 -7.867 -3.707 1.00 0.00 H new ATOM 2191 N LEU A 140 -9.600 -8.634 0.837 1.00 0.00 N ATOM 2192 CA LEU A 140 -9.239 -9.264 2.095 1.00 0.00 C ATOM 2193 C LEU A 140 -10.332 -10.256 2.497 1.00 0.00 C ATOM 2194 O LEU A 140 -10.056 -11.255 3.159 1.00 0.00 O ATOM 2195 CB LEU A 140 -8.948 -8.204 3.160 1.00 0.00 C ATOM 2196 CG LEU A 140 -7.501 -7.712 3.239 1.00 0.00 C ATOM 2197 CD1 LEU A 140 -7.391 -6.258 2.776 1.00 0.00 C ATOM 2198 CD2 LEU A 140 -6.931 -7.912 4.645 1.00 0.00 C ATOM 0 H LEU A 140 -9.777 -7.631 0.897 1.00 0.00 H new ATOM 0 HA LEU A 140 -8.317 -9.834 1.985 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -9.593 -7.345 2.975 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -9.227 -8.609 4.133 1.00 0.00 H new ATOM 0 HG LEU A 140 -6.897 -8.312 2.559 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -6.353 -5.933 2.842 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -7.731 -6.178 1.744 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -8.010 -5.626 3.412 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -5.902 -7.554 4.675 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -7.530 -7.353 5.363 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -6.954 -8.972 4.900 1.00 0.00 H new ATOM 2210 N GLY A 141 -11.551 -9.945 2.080 1.00 0.00 N ATOM 2211 CA GLY A 141 -12.687 -10.797 2.388 1.00 0.00 C ATOM 2212 C GLY A 141 -12.668 -12.066 1.534 1.00 0.00 C ATOM 2213 O GLY A 141 -12.822 -13.171 2.055 1.00 0.00 O ATOM 0 H GLY A 141 -11.776 -9.115 1.532 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -12.669 -11.065 3.444 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -13.614 -10.251 2.213 1.00 0.00 H new ATOM 2217 N ARG A 142 -12.479 -11.867 0.238 1.00 0.00 N ATOM 2218 CA ARG A 142 -12.438 -12.982 -0.693 1.00 0.00 C ATOM 2219 C ARG A 142 -11.199 -13.841 -0.437 1.00 0.00 C ATOM 2220 O ARG A 142 -11.286 -15.068 -0.404 1.00 0.00 O ATOM 2221 CB ARG A 142 -12.419 -12.490 -2.141 1.00 0.00 C ATOM 2222 CG ARG A 142 -13.836 -12.191 -2.637 1.00 0.00 C ATOM 2223 CD ARG A 142 -14.150 -12.984 -3.907 1.00 0.00 C ATOM 2224 NE ARG A 142 -13.750 -12.209 -5.101 1.00 0.00 N ATOM 2225 CZ ARG A 142 -14.207 -12.444 -6.338 1.00 0.00 C ATOM 2226 NH1 ARG A 142 -15.084 -13.434 -6.551 1.00 0.00 N ATOM 2227 NH2 ARG A 142 -13.787 -11.689 -7.363 1.00 0.00 N ATOM 0 H ARG A 142 -12.352 -10.950 -0.190 1.00 0.00 H new ATOM 0 HA ARG A 142 -13.337 -13.578 -0.536 1.00 0.00 H new ATOM 0 HB2 ARG A 142 -11.807 -11.591 -2.216 1.00 0.00 H new ATOM 0 HB3 ARG A 142 -11.958 -13.244 -2.779 1.00 0.00 H new ATOM 0 HG2 ARG A 142 -14.558 -12.441 -1.860 1.00 0.00 H new ATOM 0 HG3 ARG A 142 -13.938 -11.124 -2.835 1.00 0.00 H new ATOM 0 HD2 ARG A 142 -13.623 -13.938 -3.889 1.00 0.00 H new ATOM 0 HD3 ARG A 142 -15.216 -13.210 -3.950 1.00 0.00 H new ATOM 0 HE ARG A 142 -13.084 -11.447 -4.975 1.00 0.00 H new ATOM 0 HH11 ARG A 142 -15.404 -14.009 -5.771 1.00 0.00 H new ATOM 0 HH12 ARG A 142 -15.432 -13.613 -7.493 1.00 0.00 H new ATOM 0 HH21 ARG A 142 -13.119 -10.935 -7.201 1.00 0.00 H new ATOM 0 HH22 ARG A 142 -14.135 -11.868 -8.305 1.00 0.00 H new