USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=28 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 102 TYR OH : rot 135:sc= 0.169 USER MOD Set 1.2: A 104 SER OG : rot -63:sc= -1.83! USER MOD Set 1.3: A 110 HIS : no HE2:sc= -6.86! C(o=-8.5!,f=-10!) USER MOD Set 2.1: A 49 GLN : amide:sc= 0.137 X(o=0.29,f=0.46) USER MOD Set 2.2: A 51 TYR OH : rot 147:sc= 0.157 USER MOD Set 2.3: A 64 SER OG : rot 140:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : 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 22:sc= 0.0371 USER MOD Single : A 42 THR OG1 : rot 180:sc= -1.67! USER MOD Single : A 43 MET CE :methyl -170:sc= -5.62 (180deg=-5.91!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.195 X(o=-0.19,f=-0.041) USER MOD Single : A 57 CYS SG : rot -88:sc= -2.27! USER MOD Single : A 58 MET CE :methyl 149:sc= -0.0862 (180deg=-0.586) USER MOD Single : A 60 SER OG : rot 180:sc= 0 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 27:sc= -2.22 USER MOD Single : A 68 CYS SG : rot -94:sc= 0.229 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -98:sc= 0.044 USER MOD Single : A 78 TYR OH : rot 180:sc= -0.408 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 94 GLN : amide:sc= -0.0253 X(o=-0.025,f=-0.092) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.0106 X(o=-0.011,f=0) USER MOD Single : A 99 ASN : amide:sc= -0.406 K(o=-0.41,f=-3.1!) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot -92:sc= 1.11 USER MOD Single : A 117 CYS SG : rot 13:sc= 0.255 USER MOD Single : A 118 GLN :FLIP amide:sc= -0.61 F(o=-1.6,f=-0.61) USER MOD Single : A 122 ASN : amide:sc= -1.54 X(o=-1.5,f=-1.6) USER MOD Single : A 125 ASN : amide:sc= -0.176 K(o=-0.18,f=-1.4!) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 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 -87:sc= 0.693 USER MOD ----------------------------------------------------------------- ATOM 13 N LEU A 2 -6.799 16.346 10.008 1.00 0.00 N ATOM 14 CA LEU A 2 -5.867 15.250 9.810 1.00 0.00 C ATOM 15 C LEU A 2 -5.786 14.418 11.092 1.00 0.00 C ATOM 16 O LEU A 2 -5.840 14.962 12.193 1.00 0.00 O ATOM 17 CB LEU A 2 -4.512 15.778 9.332 1.00 0.00 C ATOM 18 CG LEU A 2 -4.409 16.110 7.843 1.00 0.00 C ATOM 19 CD1 LEU A 2 -4.771 14.896 6.984 1.00 0.00 C ATOM 20 CD2 LEU A 2 -5.261 17.333 7.493 1.00 0.00 C ATOM 0 HA LEU A 2 -6.221 14.587 9.021 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -4.273 16.676 9.902 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -3.750 15.036 9.572 1.00 0.00 H new ATOM 0 HG LEU A 2 -3.373 16.365 7.621 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -4.690 15.159 5.929 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -4.088 14.076 7.207 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -5.793 14.587 7.203 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.170 17.547 6.428 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.305 17.131 7.734 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -4.916 18.193 8.067 1.00 0.00 H new ATOM 32 N PRO A 3 -5.652 13.078 10.899 1.00 0.00 N ATOM 33 CA PRO A 3 -5.563 12.165 12.027 1.00 0.00 C ATOM 34 C PRO A 3 -4.185 12.243 12.687 1.00 0.00 C ATOM 35 O PRO A 3 -3.241 12.771 12.101 1.00 0.00 O ATOM 36 CB PRO A 3 -5.868 10.794 11.448 1.00 0.00 C ATOM 37 CG PRO A 3 -5.660 10.919 9.948 1.00 0.00 C ATOM 38 CD PRO A 3 -5.584 12.399 9.609 1.00 0.00 C ATOM 0 HA PRO A 3 -6.265 12.411 12.824 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -5.209 10.036 11.872 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -6.890 10.492 11.677 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -4.744 10.411 9.646 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -6.480 10.445 9.408 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -4.659 12.638 9.084 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -6.406 12.699 8.959 1.00 0.00 H new ATOM 46 N PRO A 4 -4.111 11.695 13.929 1.00 0.00 N ATOM 47 CA PRO A 4 -2.864 11.696 14.675 1.00 0.00 C ATOM 48 C PRO A 4 -1.891 10.654 14.120 1.00 0.00 C ATOM 49 O PRO A 4 -2.290 9.536 13.800 1.00 0.00 O ATOM 50 CB PRO A 4 -3.266 11.426 16.116 1.00 0.00 C ATOM 51 CG PRO A 4 -4.661 10.823 16.052 1.00 0.00 C ATOM 52 CD PRO A 4 -5.208 11.062 14.654 1.00 0.00 C ATOM 0 HA PRO A 4 -2.328 12.642 14.596 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -2.566 10.742 16.595 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -3.264 12.346 16.701 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -4.626 9.756 16.271 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -5.309 11.281 16.799 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -5.508 10.127 14.181 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -6.089 11.704 14.678 1.00 0.00 H new ATOM 60 N PRO A 5 -0.600 11.069 14.020 1.00 0.00 N ATOM 61 CA PRO A 5 0.433 10.183 13.508 1.00 0.00 C ATOM 62 C PRO A 5 0.815 9.129 14.549 1.00 0.00 C ATOM 63 O PRO A 5 1.083 9.460 15.703 1.00 0.00 O ATOM 64 CB PRO A 5 1.588 11.100 13.138 1.00 0.00 C ATOM 65 CG PRO A 5 1.342 12.402 13.883 1.00 0.00 C ATOM 66 CD PRO A 5 -0.090 12.386 14.389 1.00 0.00 C ATOM 0 HA PRO A 5 0.105 9.608 12.642 1.00 0.00 H new ATOM 0 HB2 PRO A 5 2.543 10.660 13.425 1.00 0.00 H new ATOM 0 HB3 PRO A 5 1.625 11.267 12.061 1.00 0.00 H new ATOM 0 HG2 PRO A 5 2.039 12.504 14.714 1.00 0.00 H new ATOM 0 HG3 PRO A 5 1.505 13.255 13.224 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -0.130 12.538 15.468 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -0.680 13.181 13.933 1.00 0.00 H new ATOM 74 N GLU A 6 0.831 7.882 14.102 1.00 0.00 N ATOM 75 CA GLU A 6 1.176 6.777 14.981 1.00 0.00 C ATOM 76 C GLU A 6 2.583 6.267 14.664 1.00 0.00 C ATOM 77 O GLU A 6 2.915 6.034 13.503 1.00 0.00 O ATOM 78 CB GLU A 6 0.147 5.649 14.874 1.00 0.00 C ATOM 79 CG GLU A 6 0.718 4.334 15.408 1.00 0.00 C ATOM 80 CD GLU A 6 -0.311 3.597 16.267 1.00 0.00 C ATOM 81 OE1 GLU A 6 -0.572 4.090 17.386 1.00 0.00 O ATOM 82 OE2 GLU A 6 -0.813 2.559 15.786 1.00 0.00 O ATOM 0 H GLU A 6 0.611 7.612 13.143 1.00 0.00 H new ATOM 0 HA GLU A 6 1.164 7.139 16.009 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -0.749 5.915 15.435 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -0.153 5.523 13.834 1.00 0.00 H new ATOM 0 HG2 GLU A 6 1.022 3.700 14.575 1.00 0.00 H new ATOM 0 HG3 GLU A 6 1.612 4.535 15.998 1.00 0.00 H new ATOM 89 N PRO A 7 3.393 6.106 15.745 1.00 0.00 N ATOM 90 CA PRO A 7 4.756 5.627 15.592 1.00 0.00 C ATOM 91 C PRO A 7 4.783 4.125 15.305 1.00 0.00 C ATOM 92 O PRO A 7 4.243 3.332 16.076 1.00 0.00 O ATOM 93 CB PRO A 7 5.449 5.995 16.895 1.00 0.00 C ATOM 94 CG PRO A 7 4.339 6.244 17.902 1.00 0.00 C ATOM 95 CD PRO A 7 3.033 6.372 17.134 1.00 0.00 C ATOM 0 HA PRO A 7 5.267 6.078 14.741 1.00 0.00 H new ATOM 0 HB2 PRO A 7 6.106 5.191 17.228 1.00 0.00 H new ATOM 0 HB3 PRO A 7 6.069 6.883 16.770 1.00 0.00 H new ATOM 0 HG2 PRO A 7 4.282 5.424 18.618 1.00 0.00 H new ATOM 0 HG3 PRO A 7 4.537 7.152 18.472 1.00 0.00 H new ATOM 0 HD2 PRO A 7 2.290 5.660 17.494 1.00 0.00 H new ATOM 0 HD3 PRO A 7 2.602 7.367 17.248 1.00 0.00 H new ATOM 103 N TYR A 8 5.414 3.779 14.193 1.00 0.00 N ATOM 104 CA TYR A 8 5.517 2.385 13.794 1.00 0.00 C ATOM 105 C TYR A 8 6.864 1.793 14.215 1.00 0.00 C ATOM 106 O TYR A 8 7.893 2.462 14.136 1.00 0.00 O ATOM 107 CB TYR A 8 5.424 2.375 12.267 1.00 0.00 C ATOM 108 CG TYR A 8 5.438 0.975 11.651 1.00 0.00 C ATOM 109 CD1 TYR A 8 4.396 0.104 11.895 1.00 0.00 C ATOM 110 CD2 TYR A 8 6.494 0.584 10.852 1.00 0.00 C ATOM 111 CE1 TYR A 8 4.410 -1.214 11.315 1.00 0.00 C ATOM 112 CE2 TYR A 8 6.507 -0.734 10.274 1.00 0.00 C ATOM 113 CZ TYR A 8 5.464 -1.569 10.532 1.00 0.00 C ATOM 114 OH TYR A 8 5.477 -2.813 9.986 1.00 0.00 O ATOM 0 H TYR A 8 5.859 4.439 13.556 1.00 0.00 H new ATOM 0 HA TYR A 8 4.732 1.792 14.264 1.00 0.00 H new ATOM 0 HB2 TYR A 8 4.508 2.884 11.966 1.00 0.00 H new ATOM 0 HB3 TYR A 8 6.256 2.948 11.859 1.00 0.00 H new ATOM 0 HD1 TYR A 8 3.571 0.410 12.520 1.00 0.00 H new ATOM 0 HD2 TYR A 8 7.309 1.266 10.661 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.601 -1.906 11.498 1.00 0.00 H new ATOM 0 HE2 TYR A 8 7.327 -1.054 9.649 1.00 0.00 H new ATOM 0 HH TYR A 8 6.290 -2.927 9.450 1.00 0.00 H new ATOM 207 N SER A 14 7.846 -9.188 7.428 1.00 0.00 N ATOM 208 CA SER A 14 8.318 -10.002 6.321 1.00 0.00 C ATOM 209 C SER A 14 7.267 -10.034 5.209 1.00 0.00 C ATOM 210 O SER A 14 6.072 -9.934 5.477 1.00 0.00 O ATOM 211 CB SER A 14 8.645 -11.424 6.782 1.00 0.00 C ATOM 212 OG SER A 14 10.018 -11.569 7.133 1.00 0.00 O ATOM 0 HA SER A 14 9.234 -9.554 5.935 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.023 -11.679 7.640 1.00 0.00 H new ATOM 0 HB3 SER A 14 8.398 -12.128 5.988 1.00 0.00 H new ATOM 0 HG SER A 14 10.186 -12.490 7.423 1.00 0.00 H new ATOM 218 N TYR A 15 7.753 -10.174 3.984 1.00 0.00 N ATOM 219 CA TYR A 15 6.871 -10.219 2.831 1.00 0.00 C ATOM 220 C TYR A 15 6.777 -11.640 2.268 1.00 0.00 C ATOM 221 O TYR A 15 7.714 -12.426 2.398 1.00 0.00 O ATOM 222 CB TYR A 15 7.505 -9.308 1.778 1.00 0.00 C ATOM 223 CG TYR A 15 7.712 -7.867 2.247 1.00 0.00 C ATOM 224 CD1 TYR A 15 6.626 -7.095 2.607 1.00 0.00 C ATOM 225 CD2 TYR A 15 8.985 -7.338 2.310 1.00 0.00 C ATOM 226 CE1 TYR A 15 6.820 -5.738 3.049 1.00 0.00 C ATOM 227 CE2 TYR A 15 9.180 -5.981 2.752 1.00 0.00 C ATOM 228 CZ TYR A 15 8.088 -5.248 3.099 1.00 0.00 C ATOM 229 OH TYR A 15 8.272 -3.967 3.516 1.00 0.00 O ATOM 0 H TYR A 15 8.746 -10.258 3.766 1.00 0.00 H new ATOM 0 HA TYR A 15 5.865 -9.903 3.106 1.00 0.00 H new ATOM 0 HB2 TYR A 15 8.468 -9.725 1.483 1.00 0.00 H new ATOM 0 HB3 TYR A 15 6.874 -9.303 0.889 1.00 0.00 H new ATOM 0 HD1 TYR A 15 5.630 -7.509 2.557 1.00 0.00 H new ATOM 0 HD2 TYR A 15 9.835 -7.941 2.028 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.979 -5.124 3.334 1.00 0.00 H new ATOM 0 HE2 TYR A 15 10.171 -5.555 2.807 1.00 0.00 H new ATOM 0 HH TYR A 15 9.228 -3.753 3.502 1.00 0.00 H new ATOM 239 N PRO A 16 5.607 -11.933 1.640 1.00 0.00 N ATOM 240 CA PRO A 16 5.379 -13.245 1.056 1.00 0.00 C ATOM 241 C PRO A 16 6.161 -13.408 -0.248 1.00 0.00 C ATOM 242 O PRO A 16 6.723 -14.470 -0.510 1.00 0.00 O ATOM 243 CB PRO A 16 3.873 -13.332 0.862 1.00 0.00 C ATOM 244 CG PRO A 16 3.364 -11.900 0.908 1.00 0.00 C ATOM 245 CD PRO A 16 4.475 -11.027 1.468 1.00 0.00 C ATOM 0 HA PRO A 16 5.733 -14.057 1.692 1.00 0.00 H new ATOM 0 HB2 PRO A 16 3.628 -13.803 -0.090 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.413 -13.936 1.644 1.00 0.00 H new ATOM 0 HG2 PRO A 16 3.080 -11.564 -0.089 1.00 0.00 H new ATOM 0 HG3 PRO A 16 2.473 -11.832 1.533 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.720 -10.212 0.787 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.183 -10.574 2.415 1.00 0.00 H new ATOM 253 N SER A 17 6.171 -12.341 -1.033 1.00 0.00 N ATOM 254 CA SER A 17 6.875 -12.353 -2.304 1.00 0.00 C ATOM 255 C SER A 17 8.370 -12.577 -2.072 1.00 0.00 C ATOM 256 O SER A 17 9.047 -13.182 -2.902 1.00 0.00 O ATOM 257 CB SER A 17 6.646 -11.050 -3.072 1.00 0.00 C ATOM 258 OG SER A 17 7.056 -11.154 -4.434 1.00 0.00 O ATOM 0 H SER A 17 5.703 -11.462 -0.813 1.00 0.00 H new ATOM 0 HA SER A 17 6.481 -13.172 -2.906 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.589 -10.786 -3.031 1.00 0.00 H new ATOM 0 HB3 SER A 17 7.196 -10.243 -2.588 1.00 0.00 H new ATOM 0 HG SER A 17 6.892 -10.303 -4.891 1.00 0.00 H new ATOM 264 N LYS A 18 8.842 -12.076 -0.939 1.00 0.00 N ATOM 265 CA LYS A 18 10.245 -12.215 -0.589 1.00 0.00 C ATOM 266 C LYS A 18 10.359 -12.821 0.812 1.00 0.00 C ATOM 267 O LYS A 18 10.964 -12.227 1.703 1.00 0.00 O ATOM 268 CB LYS A 18 10.969 -10.874 -0.739 1.00 0.00 C ATOM 269 CG LYS A 18 11.890 -10.883 -1.960 1.00 0.00 C ATOM 270 CD LYS A 18 12.360 -9.468 -2.302 1.00 0.00 C ATOM 271 CE LYS A 18 13.829 -9.270 -1.922 1.00 0.00 C ATOM 272 NZ LYS A 18 14.220 -7.852 -2.084 1.00 0.00 N ATOM 0 H LYS A 18 8.278 -11.574 -0.253 1.00 0.00 H new ATOM 0 HA LYS A 18 10.743 -12.900 -1.275 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.238 -10.071 -0.836 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.552 -10.668 0.159 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.753 -11.519 -1.764 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.365 -11.312 -2.813 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.229 -9.286 -3.369 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.743 -8.739 -1.776 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.989 -9.582 -0.890 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.461 -9.901 -2.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.220 -7.735 -1.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.086 -7.566 -3.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.629 -7.257 -1.469 1.00 0.00 H new ATOM 597 N CYS A 40 1.167 -9.047 -11.791 1.00 0.00 N ATOM 598 CA CYS A 40 0.382 -8.276 -10.841 1.00 0.00 C ATOM 599 C CYS A 40 -0.793 -7.646 -11.590 1.00 0.00 C ATOM 600 O CYS A 40 -0.649 -7.223 -12.737 1.00 0.00 O ATOM 601 CB CYS A 40 1.235 -7.224 -10.127 1.00 0.00 C ATOM 602 SG CYS A 40 1.875 -6.010 -11.336 1.00 0.00 S ATOM 0 HA CYS A 40 0.002 -8.933 -10.059 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.640 -6.715 -9.369 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.065 -7.707 -9.610 1.00 0.00 H new ATOM 0 HG CYS A 40 1.130 -6.024 -12.401 1.00 0.00 H new ATOM 608 N VAL A 41 -1.931 -7.602 -10.912 1.00 0.00 N ATOM 609 CA VAL A 41 -3.130 -7.030 -11.499 1.00 0.00 C ATOM 610 C VAL A 41 -3.528 -5.775 -10.716 1.00 0.00 C ATOM 611 O VAL A 41 -3.199 -5.644 -9.538 1.00 0.00 O ATOM 612 CB VAL A 41 -4.241 -8.080 -11.548 1.00 0.00 C ATOM 613 CG1 VAL A 41 -4.848 -8.302 -10.161 1.00 0.00 C ATOM 614 CG2 VAL A 41 -5.318 -7.693 -12.562 1.00 0.00 C ATOM 0 H VAL A 41 -2.047 -7.953 -9.962 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.943 -6.726 -12.529 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.797 -9.021 -11.874 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.635 -9.053 -10.224 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.073 -8.645 -9.475 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.268 -7.366 -9.794 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.095 -8.457 -12.576 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.755 -6.735 -12.280 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.872 -7.611 -13.553 1.00 0.00 H new ATOM 624 N THR A 42 -4.229 -4.886 -11.403 1.00 0.00 N ATOM 625 CA THR A 42 -4.675 -3.648 -10.787 1.00 0.00 C ATOM 626 C THR A 42 -6.157 -3.739 -10.418 1.00 0.00 C ATOM 627 O THR A 42 -6.956 -4.292 -11.174 1.00 0.00 O ATOM 628 CB THR A 42 -4.357 -2.501 -11.750 1.00 0.00 C ATOM 629 OG1 THR A 42 -2.939 -2.372 -11.681 1.00 0.00 O ATOM 630 CG2 THR A 42 -4.878 -1.154 -11.246 1.00 0.00 C ATOM 0 H THR A 42 -4.499 -4.998 -12.380 1.00 0.00 H new ATOM 0 HA THR A 42 -4.151 -3.461 -9.850 1.00 0.00 H new ATOM 0 HB THR A 42 -4.790 -2.716 -12.727 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.647 -1.651 -12.277 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.626 -0.374 -11.965 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.960 -1.204 -11.128 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.419 -0.923 -10.285 1.00 0.00 H new ATOM 638 N MET A 43 -6.480 -3.188 -9.258 1.00 0.00 N ATOM 639 CA MET A 43 -7.852 -3.200 -8.779 1.00 0.00 C ATOM 640 C MET A 43 -8.577 -1.909 -9.161 1.00 0.00 C ATOM 641 O MET A 43 -9.503 -1.929 -9.971 1.00 0.00 O ATOM 642 CB MET A 43 -7.860 -3.361 -7.258 1.00 0.00 C ATOM 643 CG MET A 43 -8.120 -4.815 -6.861 1.00 0.00 C ATOM 644 SD MET A 43 -9.619 -4.928 -5.899 1.00 0.00 S ATOM 645 CE MET A 43 -9.187 -3.872 -4.527 1.00 0.00 C ATOM 0 H MET A 43 -5.815 -2.730 -8.635 1.00 0.00 H new ATOM 0 HA MET A 43 -8.373 -4.037 -9.244 1.00 0.00 H new ATOM 0 HB2 MET A 43 -6.904 -3.034 -6.849 1.00 0.00 H new ATOM 0 HB3 MET A 43 -8.628 -2.719 -6.825 1.00 0.00 H new ATOM 0 HG2 MET A 43 -8.204 -5.435 -7.754 1.00 0.00 H new ATOM 0 HG3 MET A 43 -7.278 -5.199 -6.284 1.00 0.00 H new ATOM 0 HE1 MET A 43 -9.938 -3.968 -3.743 1.00 0.00 H new ATOM 0 HE2 MET A 43 -8.214 -4.166 -4.134 1.00 0.00 H new ATOM 0 HE3 MET A 43 -9.145 -2.836 -4.864 1.00 0.00 H new ATOM 655 N SER A 44 -8.128 -0.816 -8.561 1.00 0.00 N ATOM 656 CA SER A 44 -8.723 0.483 -8.828 1.00 0.00 C ATOM 657 C SER A 44 -7.669 1.582 -8.680 1.00 0.00 C ATOM 658 O SER A 44 -6.567 1.329 -8.193 1.00 0.00 O ATOM 659 CB SER A 44 -9.905 0.751 -7.894 1.00 0.00 C ATOM 660 OG SER A 44 -10.793 1.730 -8.423 1.00 0.00 O ATOM 0 H SER A 44 -7.359 -0.803 -7.891 1.00 0.00 H new ATOM 0 HA SER A 44 -9.097 0.483 -9.852 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.450 -0.178 -7.723 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.533 1.085 -6.925 1.00 0.00 H new ATOM 0 HG SER A 44 -11.534 1.871 -7.798 1.00 0.00 H new ATOM 666 N SER A 45 -8.044 2.779 -9.107 1.00 0.00 N ATOM 667 CA SER A 45 -7.144 3.916 -9.028 1.00 0.00 C ATOM 668 C SER A 45 -7.871 5.116 -8.415 1.00 0.00 C ATOM 669 O SER A 45 -8.919 5.528 -8.909 1.00 0.00 O ATOM 670 CB SER A 45 -6.590 4.279 -10.408 1.00 0.00 C ATOM 671 OG SER A 45 -6.761 3.220 -11.346 1.00 0.00 O ATOM 0 H SER A 45 -8.959 2.986 -9.509 1.00 0.00 H new ATOM 0 HA SER A 45 -6.303 3.643 -8.390 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.091 5.174 -10.776 1.00 0.00 H new ATOM 0 HB3 SER A 45 -5.530 4.520 -10.322 1.00 0.00 H new ATOM 0 HG SER A 45 -6.397 3.490 -12.215 1.00 0.00 H new ATOM 677 N ALA A 46 -7.284 5.642 -7.350 1.00 0.00 N ATOM 678 CA ALA A 46 -7.861 6.786 -6.666 1.00 0.00 C ATOM 679 C ALA A 46 -6.761 7.804 -6.364 1.00 0.00 C ATOM 680 O ALA A 46 -5.665 7.433 -5.945 1.00 0.00 O ATOM 681 CB ALA A 46 -8.582 6.313 -5.402 1.00 0.00 C ATOM 0 H ALA A 46 -6.414 5.297 -6.944 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.599 7.279 -7.298 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.015 7.171 -4.888 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.374 5.615 -5.674 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.871 5.816 -4.742 1.00 0.00 H new ATOM 687 N VAL A 47 -7.090 9.067 -6.588 1.00 0.00 N ATOM 688 CA VAL A 47 -6.142 10.142 -6.344 1.00 0.00 C ATOM 689 C VAL A 47 -6.026 10.381 -4.837 1.00 0.00 C ATOM 690 O VAL A 47 -7.034 10.544 -4.151 1.00 0.00 O ATOM 691 CB VAL A 47 -6.561 11.394 -7.117 1.00 0.00 C ATOM 692 CG1 VAL A 47 -8.052 11.681 -6.932 1.00 0.00 C ATOM 693 CG2 VAL A 47 -5.714 12.601 -6.708 1.00 0.00 C ATOM 0 H VAL A 47 -7.999 9.371 -6.936 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.151 9.868 -6.707 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.386 11.207 -8.176 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.322 12.576 -7.492 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.634 10.835 -7.298 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.264 11.837 -5.874 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.033 13.477 -7.273 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.841 12.790 -5.642 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.664 12.397 -6.918 1.00 0.00 H new ATOM 703 N VAL A 48 -4.787 10.397 -4.367 1.00 0.00 N ATOM 704 CA VAL A 48 -4.525 10.614 -2.954 1.00 0.00 C ATOM 705 C VAL A 48 -3.187 11.337 -2.793 1.00 0.00 C ATOM 706 O VAL A 48 -2.402 11.416 -3.737 1.00 0.00 O ATOM 707 CB VAL A 48 -4.581 9.283 -2.201 1.00 0.00 C ATOM 708 CG1 VAL A 48 -5.518 8.296 -2.900 1.00 0.00 C ATOM 709 CG2 VAL A 48 -3.181 8.688 -2.037 1.00 0.00 C ATOM 0 H VAL A 48 -3.954 10.263 -4.940 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.293 11.252 -2.516 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.982 9.477 -1.206 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.539 7.359 -2.344 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.523 8.716 -2.942 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.160 8.109 -3.913 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.248 7.743 -1.499 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.741 8.516 -3.019 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.554 9.381 -1.476 1.00 0.00 H new ATOM 719 N GLN A 49 -2.967 11.847 -1.590 1.00 0.00 N ATOM 720 CA GLN A 49 -1.737 12.560 -1.293 1.00 0.00 C ATOM 721 C GLN A 49 -0.888 11.765 -0.299 1.00 0.00 C ATOM 722 O GLN A 49 -1.373 11.370 0.760 1.00 0.00 O ATOM 723 CB GLN A 49 -2.032 13.964 -0.761 1.00 0.00 C ATOM 724 CG GLN A 49 -3.048 14.685 -1.651 1.00 0.00 C ATOM 725 CD GLN A 49 -3.096 16.179 -1.326 1.00 0.00 C ATOM 726 OE1 GLN A 49 -3.429 16.592 -0.228 1.00 0.00 O ATOM 727 NE2 GLN A 49 -2.747 16.964 -2.341 1.00 0.00 N ATOM 0 H GLN A 49 -3.620 11.780 -0.810 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.171 12.668 -2.218 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.417 13.898 0.257 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.108 14.541 -0.716 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.783 14.545 -2.699 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.036 14.246 -1.511 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.479 16.553 -3.235 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.748 17.977 -2.226 1.00 0.00 H new ATOM 736 N LEU A 50 0.364 11.553 -0.676 1.00 0.00 N ATOM 737 CA LEU A 50 1.284 10.811 0.169 1.00 0.00 C ATOM 738 C LEU A 50 1.812 11.733 1.272 1.00 0.00 C ATOM 739 O LEU A 50 2.375 12.788 0.988 1.00 0.00 O ATOM 740 CB LEU A 50 2.388 10.169 -0.675 1.00 0.00 C ATOM 741 CG LEU A 50 3.214 9.082 0.016 1.00 0.00 C ATOM 742 CD1 LEU A 50 3.755 9.576 1.360 1.00 0.00 C ATOM 743 CD2 LEU A 50 2.406 7.790 0.164 1.00 0.00 C ATOM 0 H LEU A 50 0.763 11.882 -1.555 1.00 0.00 H new ATOM 0 HA LEU A 50 0.769 9.986 0.660 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.932 9.739 -1.567 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.065 10.955 -1.010 1.00 0.00 H new ATOM 0 HG LEU A 50 4.074 8.854 -0.614 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.338 8.785 1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.389 10.447 1.199 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.923 9.848 2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.016 7.034 0.658 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.515 7.984 0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.111 7.431 -0.822 1.00 0.00 H new ATOM 755 N TYR A 51 1.610 11.298 2.508 1.00 0.00 N ATOM 756 CA TYR A 51 2.059 12.070 3.654 1.00 0.00 C ATOM 757 C TYR A 51 2.990 11.243 4.542 1.00 0.00 C ATOM 758 O TYR A 51 2.966 10.014 4.498 1.00 0.00 O ATOM 759 CB TYR A 51 0.797 12.419 4.445 1.00 0.00 C ATOM 760 CG TYR A 51 0.059 13.655 3.927 1.00 0.00 C ATOM 761 CD1 TYR A 51 0.587 14.914 4.137 1.00 0.00 C ATOM 762 CD2 TYR A 51 -1.133 13.512 3.247 1.00 0.00 C ATOM 763 CE1 TYR A 51 -0.107 16.076 3.649 1.00 0.00 C ATOM 764 CE2 TYR A 51 -1.827 14.676 2.758 1.00 0.00 C ATOM 765 CZ TYR A 51 -1.281 15.900 2.983 1.00 0.00 C ATOM 766 OH TYR A 51 -1.937 16.998 2.521 1.00 0.00 O ATOM 0 H TYR A 51 1.142 10.422 2.740 1.00 0.00 H new ATOM 0 HA TYR A 51 2.609 12.954 3.331 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.118 11.567 4.421 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.068 12.581 5.488 1.00 0.00 H new ATOM 0 HD1 TYR A 51 1.521 15.026 4.668 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.546 12.528 3.081 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.295 17.066 3.808 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.761 14.578 2.224 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.395 16.777 1.684 1.00 0.00 H new ATOM 776 N ALA A 52 3.789 11.950 5.328 1.00 0.00 N ATOM 777 CA ALA A 52 4.727 11.295 6.224 1.00 0.00 C ATOM 778 C ALA A 52 4.499 11.800 7.650 1.00 0.00 C ATOM 779 O ALA A 52 4.513 13.006 7.896 1.00 0.00 O ATOM 780 CB ALA A 52 6.157 11.545 5.739 1.00 0.00 C ATOM 0 H ALA A 52 3.806 12.969 5.363 1.00 0.00 H new ATOM 0 HA ALA A 52 4.567 10.217 6.226 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.860 11.054 6.411 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.275 11.143 4.733 1.00 0.00 H new ATOM 0 HB3 ALA A 52 6.355 12.617 5.727 1.00 0.00 H new ATOM 786 N ALA A 53 4.294 10.853 8.553 1.00 0.00 N ATOM 787 CA ALA A 53 4.063 11.187 9.948 1.00 0.00 C ATOM 788 C ALA A 53 5.391 11.569 10.603 1.00 0.00 C ATOM 789 O ALA A 53 6.113 10.706 11.102 1.00 0.00 O ATOM 790 CB ALA A 53 3.384 10.008 10.650 1.00 0.00 C ATOM 0 H ALA A 53 4.283 9.854 8.346 1.00 0.00 H new ATOM 0 HA ALA A 53 3.395 12.045 10.032 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.211 10.258 11.697 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.431 9.796 10.165 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.026 9.129 10.589 1.00 0.00 H new ATOM 796 N ASP A 54 5.674 12.863 10.583 1.00 0.00 N ATOM 797 CA ASP A 54 6.903 13.370 11.168 1.00 0.00 C ATOM 798 C ASP A 54 7.172 12.645 12.489 1.00 0.00 C ATOM 799 O ASP A 54 6.267 12.043 13.065 1.00 0.00 O ATOM 800 CB ASP A 54 6.796 14.868 11.464 1.00 0.00 C ATOM 801 CG ASP A 54 8.125 15.626 11.456 1.00 0.00 C ATOM 802 OD1 ASP A 54 8.879 15.460 12.439 1.00 0.00 O ATOM 803 OD2 ASP A 54 8.357 16.353 10.467 1.00 0.00 O ATOM 0 H ASP A 54 5.073 13.576 10.170 1.00 0.00 H new ATOM 0 HA ASP A 54 7.710 13.200 10.455 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.132 15.322 10.728 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.327 14.998 12.439 1.00 0.00 H new ATOM 808 N ARG A 55 8.418 12.727 12.929 1.00 0.00 N ATOM 809 CA ARG A 55 8.816 12.086 14.171 1.00 0.00 C ATOM 810 C ARG A 55 7.941 12.577 15.326 1.00 0.00 C ATOM 811 O ARG A 55 7.387 11.774 16.075 1.00 0.00 O ATOM 812 CB ARG A 55 10.284 12.374 14.493 1.00 0.00 C ATOM 813 CG ARG A 55 10.915 11.213 15.264 1.00 0.00 C ATOM 814 CD ARG A 55 11.820 10.379 14.356 1.00 0.00 C ATOM 815 NE ARG A 55 12.181 9.110 15.026 1.00 0.00 N ATOM 816 CZ ARG A 55 13.181 8.984 15.909 1.00 0.00 C ATOM 817 NH1 ARG A 55 13.927 10.050 16.232 1.00 0.00 N ATOM 818 NH2 ARG A 55 13.436 7.793 16.468 1.00 0.00 N ATOM 0 H ARG A 55 9.166 13.227 12.448 1.00 0.00 H new ATOM 0 HA ARG A 55 8.688 11.011 14.046 1.00 0.00 H new ATOM 0 HB2 ARG A 55 10.836 12.544 13.569 1.00 0.00 H new ATOM 0 HB3 ARG A 55 10.358 13.289 15.081 1.00 0.00 H new ATOM 0 HG2 ARG A 55 11.493 11.601 16.103 1.00 0.00 H new ATOM 0 HG3 ARG A 55 10.131 10.581 15.682 1.00 0.00 H new ATOM 0 HD2 ARG A 55 11.311 10.171 13.415 1.00 0.00 H new ATOM 0 HD3 ARG A 55 12.722 10.941 14.113 1.00 0.00 H new ATOM 0 HE ARG A 55 11.634 8.279 14.802 1.00 0.00 H new ATOM 0 HH11 ARG A 55 13.733 10.956 15.806 1.00 0.00 H new ATOM 0 HH12 ARG A 55 14.688 9.955 16.904 1.00 0.00 H new ATOM 0 HH21 ARG A 55 12.869 6.982 16.221 1.00 0.00 H new ATOM 0 HH22 ARG A 55 14.197 7.698 17.140 1.00 0.00 H new ATOM 832 N ASN A 56 7.845 13.894 15.435 1.00 0.00 N ATOM 833 CA ASN A 56 7.046 14.501 16.485 1.00 0.00 C ATOM 834 C ASN A 56 5.567 14.204 16.233 1.00 0.00 C ATOM 835 O ASN A 56 4.943 13.457 16.986 1.00 0.00 O ATOM 836 CB ASN A 56 7.226 16.021 16.506 1.00 0.00 C ATOM 837 CG ASN A 56 7.135 16.565 17.933 1.00 0.00 C ATOM 838 OD1 ASN A 56 6.303 17.397 18.255 1.00 0.00 O ATOM 839 ND2 ASN A 56 8.036 16.052 18.765 1.00 0.00 N ATOM 0 H ASN A 56 8.307 14.557 14.813 1.00 0.00 H new ATOM 0 HA ASN A 56 7.372 14.086 17.438 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.192 16.282 16.075 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.463 16.490 15.885 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.059 16.352 19.740 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.704 15.358 18.429 1.00 0.00 H new ATOM 846 N CYS A 57 5.048 14.802 15.172 1.00 0.00 N ATOM 847 CA CYS A 57 3.653 14.610 14.811 1.00 0.00 C ATOM 848 C CYS A 57 3.224 15.775 13.918 1.00 0.00 C ATOM 849 O CYS A 57 2.617 16.735 14.391 1.00 0.00 O ATOM 850 CB CYS A 57 2.762 14.482 16.048 1.00 0.00 C ATOM 851 SG CYS A 57 3.245 15.725 17.301 1.00 0.00 S ATOM 0 H CYS A 57 5.568 15.420 14.550 1.00 0.00 H new ATOM 0 HA CYS A 57 3.541 13.674 14.264 1.00 0.00 H new ATOM 0 HB2 CYS A 57 1.717 14.622 15.770 1.00 0.00 H new ATOM 0 HB3 CYS A 57 2.849 13.479 16.466 1.00 0.00 H new ATOM 0 HG CYS A 57 4.176 15.233 18.063 1.00 0.00 H new ATOM 857 N MET A 58 3.555 15.653 12.641 1.00 0.00 N ATOM 858 CA MET A 58 3.211 16.683 11.675 1.00 0.00 C ATOM 859 C MET A 58 3.354 16.163 10.244 1.00 0.00 C ATOM 860 O MET A 58 4.434 16.228 9.660 1.00 0.00 O ATOM 861 CB MET A 58 4.125 17.893 11.873 1.00 0.00 C ATOM 862 CG MET A 58 3.529 18.872 12.886 1.00 0.00 C ATOM 863 SD MET A 58 3.662 20.543 12.272 1.00 0.00 S ATOM 864 CE MET A 58 2.519 20.462 10.904 1.00 0.00 C ATOM 0 H MET A 58 4.058 14.856 12.252 1.00 0.00 H new ATOM 0 HA MET A 58 2.172 16.971 11.834 1.00 0.00 H new ATOM 0 HB2 MET A 58 5.105 17.561 12.217 1.00 0.00 H new ATOM 0 HB3 MET A 58 4.276 18.399 10.919 1.00 0.00 H new ATOM 0 HG2 MET A 58 2.483 18.626 13.070 1.00 0.00 H new ATOM 0 HG3 MET A 58 4.050 18.784 13.839 1.00 0.00 H new ATOM 0 HE1 MET A 58 2.058 21.439 10.757 1.00 0.00 H new ATOM 0 HE2 MET A 58 3.054 20.173 9.999 1.00 0.00 H new ATOM 0 HE3 MET A 58 1.746 19.725 11.119 1.00 0.00 H new ATOM 874 N TRP A 59 2.247 15.658 9.718 1.00 0.00 N ATOM 875 CA TRP A 59 2.234 15.128 8.366 1.00 0.00 C ATOM 876 C TRP A 59 3.033 16.082 7.476 1.00 0.00 C ATOM 877 O TRP A 59 2.939 17.300 7.625 1.00 0.00 O ATOM 878 CB TRP A 59 0.802 14.910 7.875 1.00 0.00 C ATOM 879 CG TRP A 59 -0.091 14.167 8.871 1.00 0.00 C ATOM 880 CD1 TRP A 59 -0.936 14.689 9.770 1.00 0.00 C ATOM 881 CD2 TRP A 59 -0.193 12.736 9.033 1.00 0.00 C ATOM 882 NE1 TRP A 59 -1.573 13.704 10.497 1.00 0.00 N ATOM 883 CE2 TRP A 59 -1.108 12.479 10.034 1.00 0.00 C ATOM 884 CE3 TRP A 59 0.464 11.694 8.356 1.00 0.00 C ATOM 885 CZ2 TRP A 59 -1.446 11.185 10.449 1.00 0.00 C ATOM 886 CZ3 TRP A 59 0.114 10.408 8.782 1.00 0.00 C ATOM 887 CH2 TRP A 59 -0.803 10.131 9.789 1.00 0.00 C ATOM 0 H TRP A 59 1.352 15.605 10.205 1.00 0.00 H new ATOM 0 HA TRP A 59 2.705 14.145 8.333 1.00 0.00 H new ATOM 0 HB2 TRP A 59 0.354 15.878 7.653 1.00 0.00 H new ATOM 0 HB3 TRP A 59 0.831 14.350 6.940 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -1.098 15.748 9.908 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -2.259 13.849 11.238 1.00 0.00 H new ATOM 0 HE3 TRP A 59 1.182 11.872 7.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.164 11.009 11.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 0.590 9.571 8.293 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.018 9.108 10.061 1.00 0.00 H new ATOM 898 N SER A 60 3.800 15.495 6.570 1.00 0.00 N ATOM 899 CA SER A 60 4.614 16.278 5.656 1.00 0.00 C ATOM 900 C SER A 60 4.380 15.813 4.217 1.00 0.00 C ATOM 901 O SER A 60 4.884 14.768 3.810 1.00 0.00 O ATOM 902 CB SER A 60 6.097 16.175 6.013 1.00 0.00 C ATOM 903 OG SER A 60 6.931 16.736 5.002 1.00 0.00 O ATOM 0 H SER A 60 3.875 14.485 6.449 1.00 0.00 H new ATOM 0 HA SER A 60 4.319 17.323 5.745 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.279 16.687 6.958 1.00 0.00 H new ATOM 0 HB3 SER A 60 6.362 15.128 6.162 1.00 0.00 H new ATOM 0 HG SER A 60 7.870 16.652 5.269 1.00 0.00 H new ATOM 909 N LYS A 61 3.616 16.612 3.488 1.00 0.00 N ATOM 910 CA LYS A 61 3.310 16.296 2.102 1.00 0.00 C ATOM 911 C LYS A 61 4.614 16.124 1.322 1.00 0.00 C ATOM 912 O LYS A 61 5.480 16.998 1.353 1.00 0.00 O ATOM 913 CB LYS A 61 2.371 17.347 1.507 1.00 0.00 C ATOM 914 CG LYS A 61 3.043 18.721 1.467 1.00 0.00 C ATOM 915 CD LYS A 61 3.450 19.091 0.040 1.00 0.00 C ATOM 916 CE LYS A 61 3.969 20.529 -0.027 1.00 0.00 C ATOM 917 NZ LYS A 61 3.816 21.073 -1.395 1.00 0.00 N ATOM 0 H LYS A 61 3.199 17.478 3.830 1.00 0.00 H new ATOM 0 HA LYS A 61 2.773 15.350 2.037 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.080 17.051 0.499 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.458 17.402 2.100 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.361 19.475 1.862 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.923 18.718 2.111 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.221 18.406 -0.311 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.595 18.978 -0.627 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.423 21.152 0.681 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.018 20.557 0.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.173 22.049 -1.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.356 20.488 -2.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.811 21.065 -1.662 1.00 0.00 H new ATOM 931 N LYS A 62 4.716 14.990 0.643 1.00 0.00 N ATOM 932 CA LYS A 62 5.900 14.693 -0.143 1.00 0.00 C ATOM 933 C LYS A 62 5.581 14.875 -1.628 1.00 0.00 C ATOM 934 O LYS A 62 6.388 15.421 -2.379 1.00 0.00 O ATOM 935 CB LYS A 62 6.439 13.304 0.204 1.00 0.00 C ATOM 936 CG LYS A 62 7.951 13.344 0.439 1.00 0.00 C ATOM 937 CD LYS A 62 8.646 12.172 -0.256 1.00 0.00 C ATOM 938 CE LYS A 62 9.960 12.619 -0.902 1.00 0.00 C ATOM 939 NZ LYS A 62 10.689 11.454 -1.452 1.00 0.00 N ATOM 0 H LYS A 62 3.997 14.266 0.622 1.00 0.00 H new ATOM 0 HA LYS A 62 6.702 15.391 0.099 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.939 12.929 1.097 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.212 12.609 -0.605 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.356 14.285 0.065 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.157 13.311 1.509 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.843 11.381 0.467 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.987 11.753 -1.016 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.756 13.336 -1.697 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.580 13.129 -0.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.578 11.774 -1.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.900 10.783 -0.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.102 10.985 -2.171 1.00 0.00 H new ATOM 953 N CYS A 63 4.401 14.406 -2.009 1.00 0.00 N ATOM 954 CA CYS A 63 3.964 14.510 -3.391 1.00 0.00 C ATOM 955 C CYS A 63 2.624 13.785 -3.526 1.00 0.00 C ATOM 956 O CYS A 63 2.328 12.871 -2.759 1.00 0.00 O ATOM 957 CB CYS A 63 5.013 13.958 -4.358 1.00 0.00 C ATOM 958 SG CYS A 63 5.514 12.275 -3.843 1.00 0.00 S ATOM 0 H CYS A 63 3.734 13.953 -1.384 1.00 0.00 H new ATOM 0 HA CYS A 63 3.836 15.559 -3.658 1.00 0.00 H new ATOM 0 HB2 CYS A 63 4.609 13.932 -5.370 1.00 0.00 H new ATOM 0 HB3 CYS A 63 5.882 14.615 -4.378 1.00 0.00 H new ATOM 0 HG CYS A 63 4.541 11.714 -3.189 1.00 0.00 H new ATOM 964 N SER A 64 1.849 14.221 -4.510 1.00 0.00 N ATOM 965 CA SER A 64 0.547 13.625 -4.756 1.00 0.00 C ATOM 966 C SER A 64 0.461 13.136 -6.203 1.00 0.00 C ATOM 967 O SER A 64 1.268 13.529 -7.044 1.00 0.00 O ATOM 968 CB SER A 64 -0.578 14.620 -4.464 1.00 0.00 C ATOM 969 OG SER A 64 -0.196 15.588 -3.491 1.00 0.00 O ATOM 0 H SER A 64 2.098 14.979 -5.145 1.00 0.00 H new ATOM 0 HA SER A 64 0.427 12.775 -4.084 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.863 15.126 -5.386 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.457 14.080 -4.112 1.00 0.00 H new ATOM 0 HG SER A 64 -0.544 16.467 -3.750 1.00 0.00 H new ATOM 975 N GLY A 65 -0.525 12.285 -6.449 1.00 0.00 N ATOM 976 CA GLY A 65 -0.727 11.738 -7.780 1.00 0.00 C ATOM 977 C GLY A 65 -1.814 10.662 -7.771 1.00 0.00 C ATOM 978 O GLY A 65 -2.578 10.554 -6.813 1.00 0.00 O ATOM 0 H GLY A 65 -1.192 11.961 -5.749 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.007 12.537 -8.467 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.207 11.313 -8.148 1.00 0.00 H new ATOM 982 N VAL A 66 -1.849 9.893 -8.850 1.00 0.00 N ATOM 983 CA VAL A 66 -2.830 8.829 -8.979 1.00 0.00 C ATOM 984 C VAL A 66 -2.259 7.540 -8.385 1.00 0.00 C ATOM 985 O VAL A 66 -1.173 7.104 -8.766 1.00 0.00 O ATOM 986 CB VAL A 66 -3.250 8.678 -10.442 1.00 0.00 C ATOM 987 CG1 VAL A 66 -4.548 7.877 -10.560 1.00 0.00 C ATOM 988 CG2 VAL A 66 -3.386 10.045 -11.117 1.00 0.00 C ATOM 0 H VAL A 66 -1.214 9.986 -9.643 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.733 9.073 -8.419 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.467 8.125 -10.960 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.824 7.784 -11.610 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.403 6.884 -10.134 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.343 8.391 -10.020 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.685 9.909 -12.156 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.140 10.635 -10.596 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.429 10.566 -11.080 1.00 0.00 H new ATOM 998 N ALA A 67 -3.015 6.965 -7.461 1.00 0.00 N ATOM 999 CA ALA A 67 -2.598 5.734 -6.812 1.00 0.00 C ATOM 1000 C ALA A 67 -3.579 4.616 -7.168 1.00 0.00 C ATOM 1001 O ALA A 67 -4.788 4.838 -7.218 1.00 0.00 O ATOM 1002 CB ALA A 67 -2.498 5.962 -5.302 1.00 0.00 C ATOM 0 H ALA A 67 -3.914 7.329 -7.146 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.612 5.431 -7.163 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.185 5.039 -4.815 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.767 6.745 -5.100 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.471 6.265 -4.915 1.00 0.00 H new ATOM 1008 N CYS A 68 -3.022 3.437 -7.407 1.00 0.00 N ATOM 1009 CA CYS A 68 -3.833 2.284 -7.758 1.00 0.00 C ATOM 1010 C CYS A 68 -3.396 1.106 -6.885 1.00 0.00 C ATOM 1011 O CYS A 68 -2.216 0.970 -6.565 1.00 0.00 O ATOM 1012 CB CYS A 68 -3.735 1.956 -9.249 1.00 0.00 C ATOM 1013 SG CYS A 68 -2.003 1.561 -9.691 1.00 0.00 S ATOM 0 H CYS A 68 -2.019 3.256 -7.364 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.884 2.505 -7.570 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.381 1.111 -9.487 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.086 2.802 -9.840 1.00 0.00 H new ATOM 0 HG CYS A 68 -1.412 2.632 -10.130 1.00 0.00 H new ATOM 1019 N LEU A 69 -4.371 0.285 -6.524 1.00 0.00 N ATOM 1020 CA LEU A 69 -4.101 -0.877 -5.693 1.00 0.00 C ATOM 1021 C LEU A 69 -3.886 -2.100 -6.588 1.00 0.00 C ATOM 1022 O LEU A 69 -4.802 -2.529 -7.288 1.00 0.00 O ATOM 1023 CB LEU A 69 -5.210 -1.063 -4.655 1.00 0.00 C ATOM 1024 CG LEU A 69 -4.931 -2.085 -3.551 1.00 0.00 C ATOM 1025 CD1 LEU A 69 -4.938 -1.421 -2.174 1.00 0.00 C ATOM 1026 CD2 LEU A 69 -5.913 -3.256 -3.629 1.00 0.00 C ATOM 0 H LEU A 69 -5.349 0.401 -6.791 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.183 -0.732 -5.123 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.409 -0.098 -4.188 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.121 -1.359 -5.175 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.932 -2.492 -3.706 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.737 -2.170 -1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.169 -0.650 -2.138 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.913 -0.969 -1.993 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.694 -3.968 -2.834 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.931 -2.885 -3.513 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.814 -3.750 -4.596 1.00 0.00 H new ATOM 1038 N VAL A 70 -2.671 -2.625 -6.537 1.00 0.00 N ATOM 1039 CA VAL A 70 -2.325 -3.789 -7.334 1.00 0.00 C ATOM 1040 C VAL A 70 -2.186 -5.006 -6.418 1.00 0.00 C ATOM 1041 O VAL A 70 -1.700 -4.890 -5.294 1.00 0.00 O ATOM 1042 CB VAL A 70 -1.060 -3.507 -8.149 1.00 0.00 C ATOM 1043 CG1 VAL A 70 -0.646 -4.736 -8.961 1.00 0.00 C ATOM 1044 CG2 VAL A 70 -1.252 -2.290 -9.056 1.00 0.00 C ATOM 0 H VAL A 70 -1.914 -2.266 -5.956 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.116 -4.010 -8.051 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.255 -3.280 -7.450 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.255 -4.509 -9.531 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.448 -5.568 -8.286 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.450 -5.007 -9.646 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.339 -2.112 -9.624 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.077 -2.476 -9.744 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.478 -1.414 -8.447 1.00 0.00 H new ATOM 1054 N LYS A 71 -2.622 -6.146 -6.933 1.00 0.00 N ATOM 1055 CA LYS A 71 -2.553 -7.385 -6.175 1.00 0.00 C ATOM 1056 C LYS A 71 -2.023 -8.501 -7.077 1.00 0.00 C ATOM 1057 O LYS A 71 -2.544 -8.720 -8.170 1.00 0.00 O ATOM 1058 CB LYS A 71 -3.908 -7.699 -5.538 1.00 0.00 C ATOM 1059 CG LYS A 71 -4.998 -7.826 -6.604 1.00 0.00 C ATOM 1060 CD LYS A 71 -6.025 -8.892 -6.214 1.00 0.00 C ATOM 1061 CE LYS A 71 -5.789 -10.190 -6.988 1.00 0.00 C ATOM 1062 NZ LYS A 71 -6.786 -11.213 -6.602 1.00 0.00 N ATOM 0 H LYS A 71 -3.024 -6.238 -7.866 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.853 -7.286 -5.346 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.840 -8.626 -4.969 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.174 -6.911 -4.833 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.497 -6.866 -6.735 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.547 -8.084 -7.562 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.964 -9.087 -5.143 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.031 -8.523 -6.414 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.852 -9.998 -8.059 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.783 -10.561 -6.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.611 -12.088 -7.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.707 -11.408 -5.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.742 -10.863 -6.814 1.00 0.00 H new ATOM 1076 N ASP A 72 -0.995 -9.178 -6.586 1.00 0.00 N ATOM 1077 CA ASP A 72 -0.389 -10.265 -7.334 1.00 0.00 C ATOM 1078 C ASP A 72 -1.196 -11.545 -7.107 1.00 0.00 C ATOM 1079 O ASP A 72 -1.450 -11.929 -5.966 1.00 0.00 O ATOM 1080 CB ASP A 72 1.046 -10.521 -6.869 1.00 0.00 C ATOM 1081 CG ASP A 72 2.132 -9.915 -7.759 1.00 0.00 C ATOM 1082 OD1 ASP A 72 2.127 -10.244 -8.965 1.00 0.00 O ATOM 1083 OD2 ASP A 72 2.943 -9.136 -7.214 1.00 0.00 O ATOM 0 H ASP A 72 -0.567 -8.994 -5.679 1.00 0.00 H new ATOM 0 HA ASP A 72 -0.382 -9.987 -8.388 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.161 -10.125 -5.860 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.206 -11.598 -6.809 1.00 0.00 H new ATOM 1157 N SER A 77 0.421 -11.575 -3.333 1.00 0.00 N ATOM 1158 CA SER A 77 0.845 -10.441 -2.531 1.00 0.00 C ATOM 1159 C SER A 77 0.293 -9.144 -3.126 1.00 0.00 C ATOM 1160 O SER A 77 0.019 -9.073 -4.323 1.00 0.00 O ATOM 1161 CB SER A 77 2.370 -10.374 -2.435 1.00 0.00 C ATOM 1162 OG SER A 77 2.806 -9.306 -1.598 1.00 0.00 O ATOM 0 HA SER A 77 0.450 -10.568 -1.523 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.751 -11.318 -2.046 1.00 0.00 H new ATOM 0 HB3 SER A 77 2.791 -10.248 -3.433 1.00 0.00 H new ATOM 0 HG SER A 77 3.057 -8.538 -2.152 1.00 0.00 H new ATOM 1168 N TYR A 78 0.146 -8.150 -2.263 1.00 0.00 N ATOM 1169 CA TYR A 78 -0.369 -6.859 -2.688 1.00 0.00 C ATOM 1170 C TYR A 78 0.750 -5.818 -2.755 1.00 0.00 C ATOM 1171 O TYR A 78 1.762 -5.945 -2.067 1.00 0.00 O ATOM 1172 CB TYR A 78 -1.382 -6.437 -1.621 1.00 0.00 C ATOM 1173 CG TYR A 78 -2.492 -7.459 -1.379 1.00 0.00 C ATOM 1174 CD1 TYR A 78 -3.075 -8.111 -2.445 1.00 0.00 C ATOM 1175 CD2 TYR A 78 -2.913 -7.730 -0.091 1.00 0.00 C ATOM 1176 CE1 TYR A 78 -4.122 -9.074 -2.216 1.00 0.00 C ATOM 1177 CE2 TYR A 78 -3.958 -8.692 0.138 1.00 0.00 C ATOM 1178 CZ TYR A 78 -4.512 -9.317 -0.935 1.00 0.00 C ATOM 1179 OH TYR A 78 -5.500 -10.226 -0.719 1.00 0.00 O ATOM 0 H TYR A 78 0.375 -8.212 -1.271 1.00 0.00 H new ATOM 0 HA TYR A 78 -0.814 -6.930 -3.680 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -0.855 -6.260 -0.684 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -1.833 -5.490 -1.917 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -2.747 -7.900 -3.452 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -2.457 -7.219 0.744 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -4.587 -9.591 -3.042 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -4.295 -8.913 1.140 1.00 0.00 H new ATOM 0 HH TYR A 78 -5.674 -10.298 0.243 1.00 0.00 H new ATOM 1189 N PHE A 79 0.529 -4.811 -3.587 1.00 0.00 N ATOM 1190 CA PHE A 79 1.507 -3.748 -3.752 1.00 0.00 C ATOM 1191 C PHE A 79 0.820 -2.416 -4.059 1.00 0.00 C ATOM 1192 O PHE A 79 -0.005 -2.333 -4.966 1.00 0.00 O ATOM 1193 CB PHE A 79 2.394 -4.136 -4.936 1.00 0.00 C ATOM 1194 CG PHE A 79 3.137 -5.461 -4.750 1.00 0.00 C ATOM 1195 CD1 PHE A 79 2.469 -6.639 -4.879 1.00 0.00 C ATOM 1196 CD2 PHE A 79 4.465 -5.461 -4.456 1.00 0.00 C ATOM 1197 CE1 PHE A 79 3.158 -7.868 -4.706 1.00 0.00 C ATOM 1198 CE2 PHE A 79 5.154 -6.690 -4.283 1.00 0.00 C ATOM 1199 CZ PHE A 79 4.486 -7.868 -4.412 1.00 0.00 C ATOM 0 H PHE A 79 -0.313 -4.708 -4.154 1.00 0.00 H new ATOM 0 HA PHE A 79 2.084 -3.626 -2.835 1.00 0.00 H new ATOM 0 HB2 PHE A 79 1.778 -4.200 -5.833 1.00 0.00 H new ATOM 0 HB3 PHE A 79 3.123 -3.343 -5.106 1.00 0.00 H new ATOM 0 HD1 PHE A 79 1.415 -6.639 -5.113 1.00 0.00 H new ATOM 0 HD2 PHE A 79 4.995 -4.526 -4.354 1.00 0.00 H new ATOM 0 HE1 PHE A 79 2.628 -8.803 -4.808 1.00 0.00 H new ATOM 0 HE2 PHE A 79 6.208 -6.690 -4.049 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.010 -8.803 -4.281 1.00 0.00 H new ATOM 1209 N LEU A 80 1.187 -1.406 -3.284 1.00 0.00 N ATOM 1210 CA LEU A 80 0.618 -0.081 -3.461 1.00 0.00 C ATOM 1211 C LEU A 80 1.663 0.838 -4.098 1.00 0.00 C ATOM 1212 O LEU A 80 2.734 1.052 -3.532 1.00 0.00 O ATOM 1213 CB LEU A 80 0.062 0.445 -2.136 1.00 0.00 C ATOM 1214 CG LEU A 80 -1.390 0.929 -2.163 1.00 0.00 C ATOM 1215 CD1 LEU A 80 -2.236 0.181 -1.130 1.00 0.00 C ATOM 1216 CD2 LEU A 80 -1.465 2.445 -1.976 1.00 0.00 C ATOM 0 H LEU A 80 1.872 -1.479 -2.532 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.231 -0.119 -4.143 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.147 -0.345 -1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.693 1.269 -1.801 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.808 0.705 -3.144 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.263 0.544 -1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.219 -0.886 -1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.829 0.352 -0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.507 2.763 -1.999 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.024 2.716 -1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.917 2.938 -2.779 1.00 0.00 H new ATOM 1228 N ARG A 81 1.314 1.356 -5.267 1.00 0.00 N ATOM 1229 CA ARG A 81 2.209 2.248 -5.986 1.00 0.00 C ATOM 1230 C ARG A 81 1.483 3.543 -6.356 1.00 0.00 C ATOM 1231 O ARG A 81 0.273 3.538 -6.579 1.00 0.00 O ATOM 1232 CB ARG A 81 2.738 1.585 -7.259 1.00 0.00 C ATOM 1233 CG ARG A 81 3.606 0.371 -6.927 1.00 0.00 C ATOM 1234 CD ARG A 81 5.093 0.726 -6.989 1.00 0.00 C ATOM 1235 NE ARG A 81 5.843 -0.351 -7.674 1.00 0.00 N ATOM 1236 CZ ARG A 81 5.918 -1.614 -7.229 1.00 0.00 C ATOM 1237 NH1 ARG A 81 5.290 -1.964 -6.099 1.00 0.00 N ATOM 1238 NH2 ARG A 81 6.620 -2.525 -7.916 1.00 0.00 N ATOM 0 H ARG A 81 0.425 1.176 -5.734 1.00 0.00 H new ATOM 0 HA ARG A 81 3.050 2.475 -5.331 1.00 0.00 H new ATOM 0 HB2 ARG A 81 1.902 1.277 -7.887 1.00 0.00 H new ATOM 0 HB3 ARG A 81 3.320 2.306 -7.833 1.00 0.00 H new ATOM 0 HG2 ARG A 81 3.358 0.003 -5.931 1.00 0.00 H new ATOM 0 HG3 ARG A 81 3.392 -0.436 -7.628 1.00 0.00 H new ATOM 0 HD2 ARG A 81 5.228 1.669 -7.519 1.00 0.00 H new ATOM 0 HD3 ARG A 81 5.484 0.868 -5.981 1.00 0.00 H new ATOM 0 HE ARG A 81 6.333 -0.118 -8.538 1.00 0.00 H new ATOM 0 HH11 ARG A 81 4.755 -1.270 -5.577 1.00 0.00 H new ATOM 0 HH12 ARG A 81 5.347 -2.924 -5.760 1.00 0.00 H new ATOM 0 HH21 ARG A 81 7.097 -2.258 -8.777 1.00 0.00 H new ATOM 0 HH22 ARG A 81 6.677 -3.486 -7.578 1.00 0.00 H new ATOM 1252 N ILE A 82 2.253 4.620 -6.410 1.00 0.00 N ATOM 1253 CA ILE A 82 1.698 5.920 -6.749 1.00 0.00 C ATOM 1254 C ILE A 82 2.472 6.507 -7.931 1.00 0.00 C ATOM 1255 O ILE A 82 3.697 6.402 -7.989 1.00 0.00 O ATOM 1256 CB ILE A 82 1.673 6.828 -5.519 1.00 0.00 C ATOM 1257 CG1 ILE A 82 0.517 6.457 -4.587 1.00 0.00 C ATOM 1258 CG2 ILE A 82 1.628 8.303 -5.927 1.00 0.00 C ATOM 1259 CD1 ILE A 82 0.831 6.848 -3.141 1.00 0.00 C ATOM 0 H ILE A 82 3.256 4.619 -6.225 1.00 0.00 H new ATOM 0 HA ILE A 82 0.660 5.821 -7.065 1.00 0.00 H new ATOM 0 HB ILE A 82 2.598 6.675 -4.963 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.394 6.959 -4.914 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.328 5.385 -4.645 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.611 8.927 -5.034 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.510 8.543 -6.521 1.00 0.00 H new ATOM 0 HG23 ILE A 82 0.731 8.490 -6.517 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.007 6.573 -2.500 1.00 0.00 H new ATOM 0 HD12 ILE A 82 1.728 6.326 -2.809 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.995 7.924 -3.082 1.00 0.00 H new ATOM 1271 N PHE A 83 1.727 7.111 -8.844 1.00 0.00 N ATOM 1272 CA PHE A 83 2.327 7.714 -10.021 1.00 0.00 C ATOM 1273 C PHE A 83 2.136 9.232 -10.017 1.00 0.00 C ATOM 1274 O PHE A 83 1.079 9.727 -9.631 1.00 0.00 O ATOM 1275 CB PHE A 83 1.614 7.126 -11.240 1.00 0.00 C ATOM 1276 CG PHE A 83 0.407 6.251 -10.892 1.00 0.00 C ATOM 1277 CD1 PHE A 83 0.561 5.177 -10.071 1.00 0.00 C ATOM 1278 CD2 PHE A 83 -0.818 6.548 -11.402 1.00 0.00 C ATOM 1279 CE1 PHE A 83 -0.559 4.365 -9.749 1.00 0.00 C ATOM 1280 CE2 PHE A 83 -1.937 5.736 -11.079 1.00 0.00 C ATOM 1281 CZ PHE A 83 -1.784 4.662 -10.260 1.00 0.00 C ATOM 0 H PHE A 83 0.712 7.196 -8.792 1.00 0.00 H new ATOM 0 HA PHE A 83 3.397 7.509 -10.038 1.00 0.00 H new ATOM 0 HB2 PHE A 83 1.285 7.941 -11.884 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.326 6.533 -11.814 1.00 0.00 H new ATOM 0 HD1 PHE A 83 1.534 4.942 -9.665 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -0.940 7.401 -12.053 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -0.438 3.512 -9.098 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.910 5.972 -11.484 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.635 4.044 -10.015 1.00 0.00 H new ATOM 1291 N ASP A 84 3.176 9.929 -10.452 1.00 0.00 N ATOM 1292 CA ASP A 84 3.136 11.381 -10.503 1.00 0.00 C ATOM 1293 C ASP A 84 2.214 11.820 -11.643 1.00 0.00 C ATOM 1294 O ASP A 84 1.963 11.056 -12.574 1.00 0.00 O ATOM 1295 CB ASP A 84 4.526 11.961 -10.768 1.00 0.00 C ATOM 1296 CG ASP A 84 4.699 13.430 -10.375 1.00 0.00 C ATOM 1297 OD1 ASP A 84 3.775 14.212 -10.685 1.00 0.00 O ATOM 1298 OD2 ASP A 84 5.751 13.737 -9.774 1.00 0.00 O ATOM 0 H ASP A 84 4.051 9.515 -10.772 1.00 0.00 H new ATOM 0 HA ASP A 84 2.772 11.743 -9.542 1.00 0.00 H new ATOM 0 HB2 ASP A 84 5.261 11.366 -10.225 1.00 0.00 H new ATOM 0 HB3 ASP A 84 4.751 11.855 -11.829 1.00 0.00 H new ATOM 1303 N ILE A 85 1.736 13.051 -11.533 1.00 0.00 N ATOM 1304 CA ILE A 85 0.849 13.602 -12.543 1.00 0.00 C ATOM 1305 C ILE A 85 1.585 14.695 -13.321 1.00 0.00 C ATOM 1306 O ILE A 85 1.073 15.205 -14.316 1.00 0.00 O ATOM 1307 CB ILE A 85 -0.459 14.077 -11.905 1.00 0.00 C ATOM 1308 CG1 ILE A 85 -1.430 14.595 -12.968 1.00 0.00 C ATOM 1309 CG2 ILE A 85 -0.192 15.117 -10.817 1.00 0.00 C ATOM 1310 CD1 ILE A 85 -2.856 14.665 -12.419 1.00 0.00 C ATOM 0 H ILE A 85 1.946 13.682 -10.760 1.00 0.00 H new ATOM 0 HA ILE A 85 0.566 12.833 -13.262 1.00 0.00 H new ATOM 0 HB ILE A 85 -0.935 13.223 -11.423 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -1.116 15.584 -13.302 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -1.404 13.941 -13.840 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.138 15.438 -10.380 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.436 14.679 -10.041 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.316 15.977 -11.253 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.526 15.036 -13.194 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.176 13.670 -12.109 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.883 15.339 -11.562 1.00 0.00 H new ATOM 1322 N LYS A 86 2.775 15.021 -12.839 1.00 0.00 N ATOM 1323 CA LYS A 86 3.586 16.044 -13.477 1.00 0.00 C ATOM 1324 C LYS A 86 4.821 15.392 -14.103 1.00 0.00 C ATOM 1325 O LYS A 86 5.322 15.858 -15.126 1.00 0.00 O ATOM 1326 CB LYS A 86 3.918 17.161 -12.486 1.00 0.00 C ATOM 1327 CG LYS A 86 3.080 18.410 -12.769 1.00 0.00 C ATOM 1328 CD LYS A 86 2.848 19.216 -11.489 1.00 0.00 C ATOM 1329 CE LYS A 86 3.936 20.275 -11.303 1.00 0.00 C ATOM 1330 NZ LYS A 86 3.637 21.125 -10.129 1.00 0.00 N ATOM 0 H LYS A 86 3.197 14.595 -12.014 1.00 0.00 H new ATOM 0 HA LYS A 86 3.031 16.521 -14.285 1.00 0.00 H new ATOM 0 HB2 LYS A 86 3.733 16.817 -11.469 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.978 17.407 -12.551 1.00 0.00 H new ATOM 0 HG2 LYS A 86 3.585 19.032 -13.508 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.121 18.119 -13.199 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.871 19.697 -11.530 1.00 0.00 H new ATOM 0 HD3 LYS A 86 2.837 18.545 -10.630 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.904 19.791 -11.172 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.007 20.893 -12.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 4.385 21.838 -10.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.723 21.601 -10.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.592 20.534 -9.275 1.00 0.00 H new ATOM 1344 N ASP A 87 5.275 14.324 -13.464 1.00 0.00 N ATOM 1345 CA ASP A 87 6.441 13.603 -13.945 1.00 0.00 C ATOM 1346 C ASP A 87 6.004 12.244 -14.495 1.00 0.00 C ATOM 1347 O ASP A 87 6.777 11.567 -15.172 1.00 0.00 O ATOM 1348 CB ASP A 87 7.443 13.356 -12.815 1.00 0.00 C ATOM 1349 CG ASP A 87 8.484 14.460 -12.621 1.00 0.00 C ATOM 1350 OD1 ASP A 87 8.152 15.434 -11.911 1.00 0.00 O ATOM 1351 OD2 ASP A 87 9.587 14.306 -13.187 1.00 0.00 O ATOM 0 H ASP A 87 4.856 13.940 -12.617 1.00 0.00 H new ATOM 0 HA ASP A 87 6.914 14.207 -14.720 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.892 13.229 -11.883 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.962 12.418 -13.009 1.00 0.00 H new ATOM 1356 N GLY A 88 4.768 11.884 -14.183 1.00 0.00 N ATOM 1357 CA GLY A 88 4.219 10.618 -14.637 1.00 0.00 C ATOM 1358 C GLY A 88 5.189 9.468 -14.357 1.00 0.00 C ATOM 1359 O GLY A 88 5.495 8.678 -15.249 1.00 0.00 O ATOM 0 H GLY A 88 4.131 12.448 -13.621 1.00 0.00 H new ATOM 0 HA2 GLY A 88 3.270 10.428 -14.136 1.00 0.00 H new ATOM 0 HA3 GLY A 88 4.010 10.670 -15.706 1.00 0.00 H new ATOM 1363 N LYS A 89 5.646 9.412 -13.115 1.00 0.00 N ATOM 1364 CA LYS A 89 6.576 8.372 -12.707 1.00 0.00 C ATOM 1365 C LYS A 89 6.239 7.921 -11.284 1.00 0.00 C ATOM 1366 O LYS A 89 5.301 8.432 -10.674 1.00 0.00 O ATOM 1367 CB LYS A 89 8.021 8.848 -12.874 1.00 0.00 C ATOM 1368 CG LYS A 89 8.384 9.882 -11.807 1.00 0.00 C ATOM 1369 CD LYS A 89 9.764 10.487 -12.077 1.00 0.00 C ATOM 1370 CE LYS A 89 10.569 10.614 -10.783 1.00 0.00 C ATOM 1371 NZ LYS A 89 12.010 10.407 -11.046 1.00 0.00 N ATOM 0 H LYS A 89 5.390 10.069 -12.378 1.00 0.00 H new ATOM 0 HA LYS A 89 6.476 7.499 -13.352 1.00 0.00 H new ATOM 0 HB2 LYS A 89 8.698 7.997 -12.806 1.00 0.00 H new ATOM 0 HB3 LYS A 89 8.153 9.282 -13.865 1.00 0.00 H new ATOM 0 HG2 LYS A 89 7.633 10.672 -11.791 1.00 0.00 H new ATOM 0 HG3 LYS A 89 8.375 9.413 -10.823 1.00 0.00 H new ATOM 0 HD2 LYS A 89 10.306 9.863 -12.787 1.00 0.00 H new ATOM 0 HD3 LYS A 89 9.651 11.469 -12.537 1.00 0.00 H new ATOM 0 HE2 LYS A 89 10.411 11.600 -10.345 1.00 0.00 H new ATOM 0 HE3 LYS A 89 10.217 9.882 -10.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 12.542 10.497 -10.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 12.157 9.457 -11.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 12.345 11.121 -11.723 1.00 0.00 H new ATOM 1385 N LEU A 90 7.021 6.970 -10.797 1.00 0.00 N ATOM 1386 CA LEU A 90 6.817 6.446 -9.458 1.00 0.00 C ATOM 1387 C LEU A 90 7.256 7.493 -8.431 1.00 0.00 C ATOM 1388 O LEU A 90 8.394 7.958 -8.463 1.00 0.00 O ATOM 1389 CB LEU A 90 7.520 5.096 -9.297 1.00 0.00 C ATOM 1390 CG LEU A 90 7.894 4.700 -7.867 1.00 0.00 C ATOM 1391 CD1 LEU A 90 7.778 3.187 -7.670 1.00 0.00 C ATOM 1392 CD2 LEU A 90 9.284 5.221 -7.500 1.00 0.00 C ATOM 0 H LEU A 90 7.798 6.548 -11.306 1.00 0.00 H new ATOM 0 HA LEU A 90 5.759 6.252 -9.284 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.874 4.321 -9.710 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.429 5.108 -9.899 1.00 0.00 H new ATOM 0 HG LEU A 90 7.185 5.169 -7.185 1.00 0.00 H new ATOM 0 HD11 LEU A 90 8.049 2.932 -6.646 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.752 2.873 -7.863 1.00 0.00 H new ATOM 0 HD13 LEU A 90 8.450 2.678 -8.361 1.00 0.00 H new ATOM 0 HD21 LEU A 90 9.525 4.926 -6.479 1.00 0.00 H new ATOM 0 HD22 LEU A 90 10.022 4.801 -8.183 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.297 6.308 -7.576 1.00 0.00 H new ATOM 1404 N LEU A 91 6.331 7.832 -7.547 1.00 0.00 N ATOM 1405 CA LEU A 91 6.607 8.816 -6.514 1.00 0.00 C ATOM 1406 C LEU A 91 6.577 8.134 -5.145 1.00 0.00 C ATOM 1407 O LEU A 91 7.006 8.714 -4.149 1.00 0.00 O ATOM 1408 CB LEU A 91 5.646 10.001 -6.631 1.00 0.00 C ATOM 1409 CG LEU A 91 6.130 11.174 -7.487 1.00 0.00 C ATOM 1410 CD1 LEU A 91 5.155 12.350 -7.406 1.00 0.00 C ATOM 1411 CD2 LEU A 91 7.554 11.583 -7.103 1.00 0.00 C ATOM 0 H LEU A 91 5.388 7.443 -7.524 1.00 0.00 H new ATOM 0 HA LEU A 91 7.606 9.232 -6.642 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.704 9.640 -7.044 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.434 10.372 -5.628 1.00 0.00 H new ATOM 0 HG LEU A 91 6.158 10.849 -8.527 1.00 0.00 H new ATOM 0 HD11 LEU A 91 5.522 13.170 -8.023 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.175 12.036 -7.766 1.00 0.00 H new ATOM 0 HD13 LEU A 91 5.072 12.683 -6.372 1.00 0.00 H new ATOM 0 HD21 LEU A 91 7.873 12.418 -7.726 1.00 0.00 H new ATOM 0 HD22 LEU A 91 7.576 11.883 -6.055 1.00 0.00 H new ATOM 0 HD23 LEU A 91 8.228 10.740 -7.254 1.00 0.00 H new ATOM 1423 N TRP A 92 6.068 6.911 -5.140 1.00 0.00 N ATOM 1424 CA TRP A 92 5.977 6.143 -3.910 1.00 0.00 C ATOM 1425 C TRP A 92 5.758 4.675 -4.283 1.00 0.00 C ATOM 1426 O TRP A 92 5.142 4.377 -5.305 1.00 0.00 O ATOM 1427 CB TRP A 92 4.882 6.697 -2.997 1.00 0.00 C ATOM 1428 CG TRP A 92 4.682 5.897 -1.708 1.00 0.00 C ATOM 1429 CD1 TRP A 92 5.461 5.879 -0.619 1.00 0.00 C ATOM 1430 CD2 TRP A 92 3.594 4.994 -1.417 1.00 0.00 C ATOM 1431 NE1 TRP A 92 4.958 5.035 0.349 1.00 0.00 N ATOM 1432 CE2 TRP A 92 3.786 4.479 -0.152 1.00 0.00 C ATOM 1433 CE3 TRP A 92 2.484 4.625 -2.198 1.00 0.00 C ATOM 1434 CZ2 TRP A 92 2.910 3.566 0.446 1.00 0.00 C ATOM 1435 CZ3 TRP A 92 1.618 3.711 -1.586 1.00 0.00 C ATOM 1436 CH2 TRP A 92 1.798 3.183 -0.313 1.00 0.00 C ATOM 0 H TRP A 92 5.714 6.433 -5.969 1.00 0.00 H new ATOM 0 HA TRP A 92 6.901 6.222 -3.337 1.00 0.00 H new ATOM 0 HB2 TRP A 92 5.126 7.728 -2.739 1.00 0.00 H new ATOM 0 HB3 TRP A 92 3.942 6.720 -3.548 1.00 0.00 H new ATOM 0 HD1 TRP A 92 6.369 6.453 -0.512 1.00 0.00 H new ATOM 0 HE1 TRP A 92 5.370 4.852 1.264 1.00 0.00 H new ATOM 0 HE3 TRP A 92 2.313 5.015 -3.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 3.083 3.178 1.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 0.748 3.394 -2.142 1.00 0.00 H new ATOM 0 HH2 TRP A 92 1.083 2.480 0.089 1.00 0.00 H new ATOM 1447 N GLU A 93 6.275 3.798 -3.436 1.00 0.00 N ATOM 1448 CA GLU A 93 6.144 2.370 -3.664 1.00 0.00 C ATOM 1449 C GLU A 93 6.158 1.615 -2.332 1.00 0.00 C ATOM 1450 O GLU A 93 7.078 1.780 -1.531 1.00 0.00 O ATOM 1451 CB GLU A 93 7.245 1.860 -4.595 1.00 0.00 C ATOM 1452 CG GLU A 93 7.329 0.332 -4.559 1.00 0.00 C ATOM 1453 CD GLU A 93 8.600 -0.132 -3.843 1.00 0.00 C ATOM 1454 OE1 GLU A 93 9.680 0.004 -4.457 1.00 0.00 O ATOM 1455 OE2 GLU A 93 8.462 -0.610 -2.696 1.00 0.00 O ATOM 0 H GLU A 93 6.786 4.049 -2.590 1.00 0.00 H new ATOM 0 HA GLU A 93 5.187 2.187 -4.153 1.00 0.00 H new ATOM 0 HB2 GLU A 93 7.048 2.193 -5.614 1.00 0.00 H new ATOM 0 HB3 GLU A 93 8.203 2.288 -4.300 1.00 0.00 H new ATOM 0 HG2 GLU A 93 6.453 -0.072 -4.051 1.00 0.00 H new ATOM 0 HG3 GLU A 93 7.317 -0.060 -5.576 1.00 0.00 H new ATOM 1462 N GLN A 94 5.128 0.806 -2.136 1.00 0.00 N ATOM 1463 CA GLN A 94 5.011 0.026 -0.916 1.00 0.00 C ATOM 1464 C GLN A 94 4.785 -1.451 -1.248 1.00 0.00 C ATOM 1465 O GLN A 94 3.984 -1.778 -2.122 1.00 0.00 O ATOM 1466 CB GLN A 94 3.888 0.565 -0.027 1.00 0.00 C ATOM 1467 CG GLN A 94 4.354 0.697 1.424 1.00 0.00 C ATOM 1468 CD GLN A 94 3.366 0.027 2.381 1.00 0.00 C ATOM 1469 OE1 GLN A 94 2.236 0.456 2.548 1.00 0.00 O ATOM 1470 NE2 GLN A 94 3.852 -1.047 2.996 1.00 0.00 N ATOM 0 H GLN A 94 4.367 0.674 -2.802 1.00 0.00 H new ATOM 0 HA GLN A 94 5.945 0.114 -0.361 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.560 1.536 -0.397 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.027 -0.102 -0.077 1.00 0.00 H new ATOM 0 HG2 GLN A 94 5.339 0.243 1.536 1.00 0.00 H new ATOM 0 HG3 GLN A 94 4.458 1.751 1.682 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.807 -1.352 2.810 1.00 0.00 H new ATOM 0 HE22 GLN A 94 3.269 -1.566 3.653 1.00 0.00 H new ATOM 1479 N GLU A 95 5.506 -2.302 -0.534 1.00 0.00 N ATOM 1480 CA GLU A 95 5.395 -3.736 -0.742 1.00 0.00 C ATOM 1481 C GLU A 95 4.573 -4.373 0.379 1.00 0.00 C ATOM 1482 O GLU A 95 5.129 -4.953 1.311 1.00 0.00 O ATOM 1483 CB GLU A 95 6.777 -4.383 -0.843 1.00 0.00 C ATOM 1484 CG GLU A 95 7.480 -3.974 -2.140 1.00 0.00 C ATOM 1485 CD GLU A 95 9.001 -4.012 -1.974 1.00 0.00 C ATOM 1486 OE1 GLU A 95 9.492 -3.302 -1.071 1.00 0.00 O ATOM 1487 OE2 GLU A 95 9.639 -4.753 -2.754 1.00 0.00 O ATOM 0 H GLU A 95 6.170 -2.026 0.190 1.00 0.00 H new ATOM 0 HA GLU A 95 4.879 -3.908 -1.687 1.00 0.00 H new ATOM 0 HB2 GLU A 95 7.384 -4.088 0.013 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.678 -5.468 -0.805 1.00 0.00 H new ATOM 0 HG2 GLU A 95 7.182 -4.644 -2.947 1.00 0.00 H new ATOM 0 HG3 GLU A 95 7.167 -2.970 -2.427 1.00 0.00 H new ATOM 1494 N LEU A 96 3.260 -4.243 0.254 1.00 0.00 N ATOM 1495 CA LEU A 96 2.354 -4.799 1.245 1.00 0.00 C ATOM 1496 C LEU A 96 2.874 -6.166 1.694 1.00 0.00 C ATOM 1497 O LEU A 96 3.592 -6.836 0.953 1.00 0.00 O ATOM 1498 CB LEU A 96 0.923 -4.832 0.705 1.00 0.00 C ATOM 1499 CG LEU A 96 0.346 -3.489 0.253 1.00 0.00 C ATOM 1500 CD1 LEU A 96 -0.860 -3.694 -0.667 1.00 0.00 C ATOM 1501 CD2 LEU A 96 0.008 -2.605 1.454 1.00 0.00 C ATOM 0 H LEU A 96 2.802 -3.760 -0.519 1.00 0.00 H new ATOM 0 HA LEU A 96 2.321 -4.163 2.130 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.890 -5.522 -0.138 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.273 -5.242 1.478 1.00 0.00 H new ATOM 0 HG LEU A 96 1.108 -2.966 -0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.252 -2.725 -0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.554 -4.258 -1.548 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.634 -4.246 -0.134 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.400 -1.657 1.104 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.729 -3.108 2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.912 -2.419 2.035 1.00 0.00 H new ATOM 1513 N TYR A 97 2.491 -6.540 2.907 1.00 0.00 N ATOM 1514 CA TYR A 97 2.909 -7.816 3.463 1.00 0.00 C ATOM 1515 C TYR A 97 1.699 -8.689 3.802 1.00 0.00 C ATOM 1516 O TYR A 97 0.583 -8.188 3.926 1.00 0.00 O ATOM 1517 CB TYR A 97 3.663 -7.486 4.753 1.00 0.00 C ATOM 1518 CG TYR A 97 3.136 -6.248 5.483 1.00 0.00 C ATOM 1519 CD1 TYR A 97 3.519 -4.989 5.071 1.00 0.00 C ATOM 1520 CD2 TYR A 97 2.277 -6.394 6.553 1.00 0.00 C ATOM 1521 CE1 TYR A 97 3.023 -3.825 5.759 1.00 0.00 C ATOM 1522 CE2 TYR A 97 1.781 -5.230 7.241 1.00 0.00 C ATOM 1523 CZ TYR A 97 2.178 -4.003 6.809 1.00 0.00 C ATOM 1524 OH TYR A 97 1.709 -2.903 7.458 1.00 0.00 O ATOM 0 H TYR A 97 1.896 -5.982 3.520 1.00 0.00 H new ATOM 0 HA TYR A 97 3.523 -8.364 2.748 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.606 -8.343 5.424 1.00 0.00 H new ATOM 0 HB3 TYR A 97 4.717 -7.335 4.518 1.00 0.00 H new ATOM 0 HD1 TYR A 97 4.191 -4.876 4.233 1.00 0.00 H new ATOM 0 HD2 TYR A 97 1.977 -7.380 6.874 1.00 0.00 H new ATOM 0 HE1 TYR A 97 3.316 -2.833 5.448 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.109 -5.329 8.081 1.00 0.00 H new ATOM 0 HH TYR A 97 1.115 -3.181 8.186 1.00 0.00 H new ATOM 1534 N ASN A 98 1.963 -9.980 3.944 1.00 0.00 N ATOM 1535 CA ASN A 98 0.910 -10.927 4.267 1.00 0.00 C ATOM 1536 C ASN A 98 0.145 -10.434 5.497 1.00 0.00 C ATOM 1537 O ASN A 98 0.722 -9.791 6.373 1.00 0.00 O ATOM 1538 CB ASN A 98 1.489 -12.305 4.592 1.00 0.00 C ATOM 1539 CG ASN A 98 0.480 -13.412 4.280 1.00 0.00 C ATOM 1540 OD1 ASN A 98 -0.102 -14.022 5.161 1.00 0.00 O ATOM 1541 ND2 ASN A 98 0.306 -13.636 2.980 1.00 0.00 N ATOM 0 H ASN A 98 2.891 -10.392 3.841 1.00 0.00 H new ATOM 0 HA ASN A 98 0.252 -11.007 3.402 1.00 0.00 H new ATOM 0 HB2 ASN A 98 2.400 -12.466 4.016 1.00 0.00 H new ATOM 0 HB3 ASN A 98 1.767 -12.347 5.645 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -0.347 -14.355 2.669 1.00 0.00 H new ATOM 0 HD22 ASN A 98 0.826 -13.088 2.294 1.00 0.00 H new ATOM 1548 N ASN A 99 -1.140 -10.755 5.524 1.00 0.00 N ATOM 1549 CA ASN A 99 -1.989 -10.353 6.632 1.00 0.00 C ATOM 1550 C ASN A 99 -1.925 -8.832 6.792 1.00 0.00 C ATOM 1551 O ASN A 99 -1.506 -8.330 7.833 1.00 0.00 O ATOM 1552 CB ASN A 99 -1.518 -10.984 7.944 1.00 0.00 C ATOM 1553 CG ASN A 99 -2.648 -11.775 8.608 1.00 0.00 C ATOM 1554 OD1 ASN A 99 -3.719 -11.963 8.053 1.00 0.00 O ATOM 1555 ND2 ASN A 99 -2.352 -12.225 9.824 1.00 0.00 N ATOM 0 H ASN A 99 -1.614 -11.289 4.796 1.00 0.00 H new ATOM 0 HA ASN A 99 -3.005 -10.684 6.415 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -0.672 -11.644 7.751 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -1.168 -10.205 8.621 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -3.040 -12.763 10.350 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -1.437 -12.032 10.230 1.00 0.00 H new ATOM 1562 N PHE A 100 -2.350 -8.142 5.743 1.00 0.00 N ATOM 1563 CA PHE A 100 -2.348 -6.688 5.754 1.00 0.00 C ATOM 1564 C PHE A 100 -3.730 -6.141 6.116 1.00 0.00 C ATOM 1565 O PHE A 100 -4.749 -6.717 5.739 1.00 0.00 O ATOM 1566 CB PHE A 100 -1.987 -6.233 4.338 1.00 0.00 C ATOM 1567 CG PHE A 100 -1.735 -4.728 4.215 1.00 0.00 C ATOM 1568 CD1 PHE A 100 -0.541 -4.204 4.601 1.00 0.00 C ATOM 1569 CD2 PHE A 100 -2.707 -3.915 3.721 1.00 0.00 C ATOM 1570 CE1 PHE A 100 -0.309 -2.808 4.486 1.00 0.00 C ATOM 1571 CE2 PHE A 100 -2.474 -2.519 3.607 1.00 0.00 C ATOM 1572 CZ PHE A 100 -1.279 -1.994 3.991 1.00 0.00 C ATOM 0 H PHE A 100 -2.698 -8.562 4.881 1.00 0.00 H new ATOM 0 HA PHE A 100 -1.637 -6.321 6.494 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -1.096 -6.769 4.011 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -2.794 -6.513 3.660 1.00 0.00 H new ATOM 0 HD1 PHE A 100 0.230 -4.849 4.995 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -3.656 -4.331 3.416 1.00 0.00 H new ATOM 0 HE1 PHE A 100 0.639 -2.392 4.792 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -3.246 -1.873 3.215 1.00 0.00 H new ATOM 0 HZ PHE A 100 -1.101 -0.932 3.903 1.00 0.00 H new ATOM 1582 N VAL A 101 -3.720 -5.033 6.843 1.00 0.00 N ATOM 1583 CA VAL A 101 -4.960 -4.401 7.260 1.00 0.00 C ATOM 1584 C VAL A 101 -4.963 -2.942 6.800 1.00 0.00 C ATOM 1585 O VAL A 101 -3.905 -2.353 6.580 1.00 0.00 O ATOM 1586 CB VAL A 101 -5.140 -4.551 8.772 1.00 0.00 C ATOM 1587 CG1 VAL A 101 -3.934 -3.988 9.527 1.00 0.00 C ATOM 1588 CG2 VAL A 101 -6.437 -3.886 9.238 1.00 0.00 C ATOM 0 H VAL A 101 -2.873 -4.557 7.154 1.00 0.00 H new ATOM 0 HA VAL A 101 -5.815 -4.891 6.794 1.00 0.00 H new ATOM 0 HB VAL A 101 -5.209 -5.615 8.997 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.088 -4.107 10.599 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.034 -4.525 9.228 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -3.820 -2.930 9.292 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.541 -4.007 10.316 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -6.410 -2.824 8.993 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.285 -4.352 8.737 1.00 0.00 H new ATOM 1598 N TYR A 102 -6.165 -2.399 6.667 1.00 0.00 N ATOM 1599 CA TYR A 102 -6.320 -1.021 6.236 1.00 0.00 C ATOM 1600 C TYR A 102 -7.059 -0.196 7.292 1.00 0.00 C ATOM 1601 O TYR A 102 -8.190 -0.516 7.654 1.00 0.00 O ATOM 1602 CB TYR A 102 -7.165 -1.069 4.962 1.00 0.00 C ATOM 1603 CG TYR A 102 -6.768 -0.028 3.913 1.00 0.00 C ATOM 1604 CD1 TYR A 102 -5.434 0.240 3.676 1.00 0.00 C ATOM 1605 CD2 TYR A 102 -7.743 0.642 3.201 1.00 0.00 C ATOM 1606 CE1 TYR A 102 -5.061 1.220 2.688 1.00 0.00 C ATOM 1607 CE2 TYR A 102 -7.370 1.620 2.214 1.00 0.00 C ATOM 1608 CZ TYR A 102 -6.048 1.861 2.007 1.00 0.00 C ATOM 1609 OH TYR A 102 -5.695 2.786 1.074 1.00 0.00 O ATOM 0 H TYR A 102 -7.040 -2.889 6.850 1.00 0.00 H new ATOM 0 HA TYR A 102 -5.346 -0.558 6.075 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -7.084 -2.063 4.522 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -8.212 -0.922 5.227 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -4.671 -0.285 4.231 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -8.786 0.432 3.385 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -4.022 1.440 2.493 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -8.123 2.151 1.650 1.00 0.00 H new ATOM 0 HH TYR A 102 -6.225 2.649 0.261 1.00 0.00 H new ATOM 1619 N ASN A 103 -6.389 0.849 7.757 1.00 0.00 N ATOM 1620 CA ASN A 103 -6.969 1.720 8.764 1.00 0.00 C ATOM 1621 C ASN A 103 -7.676 2.889 8.075 1.00 0.00 C ATOM 1622 O ASN A 103 -7.332 3.251 6.951 1.00 0.00 O ATOM 1623 CB ASN A 103 -5.888 2.297 9.682 1.00 0.00 C ATOM 1624 CG ASN A 103 -5.187 1.187 10.467 1.00 0.00 C ATOM 1625 OD1 ASN A 103 -4.172 0.647 10.058 1.00 0.00 O ATOM 1626 ND2 ASN A 103 -5.781 0.878 11.615 1.00 0.00 N ATOM 0 H ASN A 103 -5.451 1.111 7.455 1.00 0.00 H new ATOM 0 HA ASN A 103 -7.669 1.131 9.356 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -5.157 2.846 9.089 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -6.336 3.010 10.374 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -5.389 0.150 12.212 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -6.629 1.369 11.899 1.00 0.00 H new ATOM 1633 N SER A 104 -8.651 3.446 8.778 1.00 0.00 N ATOM 1634 CA SER A 104 -9.410 4.566 8.248 1.00 0.00 C ATOM 1635 C SER A 104 -10.270 5.185 9.352 1.00 0.00 C ATOM 1636 O SER A 104 -11.497 5.149 9.281 1.00 0.00 O ATOM 1637 CB SER A 104 -10.287 4.131 7.073 1.00 0.00 C ATOM 1638 OG SER A 104 -10.984 5.228 6.490 1.00 0.00 O ATOM 0 H SER A 104 -8.933 3.143 9.710 1.00 0.00 H new ATOM 0 HA SER A 104 -8.706 5.313 7.883 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.666 3.653 6.315 1.00 0.00 H new ATOM 0 HB3 SER A 104 -11.005 3.385 7.414 1.00 0.00 H new ATOM 0 HG SER A 104 -11.594 5.617 7.151 1.00 0.00 H new ATOM 1644 N PRO A 105 -9.575 5.754 10.372 1.00 0.00 N ATOM 1645 CA PRO A 105 -10.261 6.379 11.489 1.00 0.00 C ATOM 1646 C PRO A 105 -10.844 7.736 11.084 1.00 0.00 C ATOM 1647 O PRO A 105 -11.517 8.388 11.880 1.00 0.00 O ATOM 1648 CB PRO A 105 -9.214 6.487 12.585 1.00 0.00 C ATOM 1649 CG PRO A 105 -7.869 6.346 11.891 1.00 0.00 C ATOM 1650 CD PRO A 105 -8.120 5.817 10.488 1.00 0.00 C ATOM 0 HA PRO A 105 -11.119 5.800 11.832 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -9.288 7.443 13.103 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -9.351 5.707 13.334 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.358 7.308 11.850 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -7.223 5.665 12.446 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -7.690 6.476 9.733 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.668 4.835 10.348 1.00 0.00 H new ATOM 1658 N ARG A 106 -10.563 8.119 9.848 1.00 0.00 N ATOM 1659 CA ARG A 106 -11.051 9.385 9.328 1.00 0.00 C ATOM 1660 C ARG A 106 -12.111 9.144 8.250 1.00 0.00 C ATOM 1661 O ARG A 106 -12.422 7.999 7.926 1.00 0.00 O ATOM 1662 CB ARG A 106 -9.909 10.214 8.735 1.00 0.00 C ATOM 1663 CG ARG A 106 -9.821 11.585 9.405 1.00 0.00 C ATOM 1664 CD ARG A 106 -9.326 11.459 10.848 1.00 0.00 C ATOM 1665 NE ARG A 106 -10.305 12.071 11.774 1.00 0.00 N ATOM 1666 CZ ARG A 106 -10.318 11.864 13.098 1.00 0.00 C ATOM 1667 NH1 ARG A 106 -9.405 11.059 13.659 1.00 0.00 N ATOM 1668 NH2 ARG A 106 -11.243 12.461 13.861 1.00 0.00 N ATOM 0 H ARG A 106 -10.004 7.575 9.191 1.00 0.00 H new ATOM 0 HA ARG A 106 -11.492 9.936 10.158 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -8.966 9.683 8.861 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -10.064 10.338 7.663 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.146 12.227 8.840 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -10.800 12.063 9.393 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -9.181 10.409 11.101 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -8.358 11.949 10.953 1.00 0.00 H new ATOM 0 HE ARG A 106 -11.014 12.689 11.380 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -8.701 10.604 13.078 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -9.415 10.901 14.667 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -11.938 13.074 13.434 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -11.252 12.303 14.869 1.00 0.00 H new ATOM 1682 N GLY A 107 -12.635 10.242 7.726 1.00 0.00 N ATOM 1683 CA GLY A 107 -13.653 10.163 6.691 1.00 0.00 C ATOM 1684 C GLY A 107 -13.066 9.633 5.383 1.00 0.00 C ATOM 1685 O GLY A 107 -13.612 8.709 4.783 1.00 0.00 O ATOM 0 H GLY A 107 -12.375 11.190 7.998 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -14.462 9.511 7.021 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -14.086 11.150 6.526 1.00 0.00 H new ATOM 1689 N TYR A 108 -11.959 10.240 4.978 1.00 0.00 N ATOM 1690 CA TYR A 108 -11.292 9.840 3.751 1.00 0.00 C ATOM 1691 C TYR A 108 -9.772 9.927 3.901 1.00 0.00 C ATOM 1692 O TYR A 108 -9.087 10.450 3.023 1.00 0.00 O ATOM 1693 CB TYR A 108 -11.745 10.835 2.681 1.00 0.00 C ATOM 1694 CG TYR A 108 -11.375 12.288 2.986 1.00 0.00 C ATOM 1695 CD1 TYR A 108 -12.091 13.000 3.927 1.00 0.00 C ATOM 1696 CD2 TYR A 108 -10.325 12.888 2.320 1.00 0.00 C ATOM 1697 CE1 TYR A 108 -11.743 14.367 4.214 1.00 0.00 C ATOM 1698 CE2 TYR A 108 -9.977 14.255 2.607 1.00 0.00 C ATOM 1699 CZ TYR A 108 -10.703 14.927 3.539 1.00 0.00 C ATOM 1700 OH TYR A 108 -10.373 16.218 3.811 1.00 0.00 O ATOM 0 H TYR A 108 -11.508 11.006 5.478 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.542 8.810 3.496 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -11.304 10.551 1.726 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -12.827 10.763 2.567 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -12.913 12.531 4.448 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -9.764 12.332 1.583 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -12.295 14.935 4.948 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.158 14.736 2.093 1.00 0.00 H new ATOM 0 HH TYR A 108 -9.611 16.485 3.255 1.00 0.00 H new ATOM 1710 N PHE A 109 -9.289 9.405 5.019 1.00 0.00 N ATOM 1711 CA PHE A 109 -7.862 9.417 5.295 1.00 0.00 C ATOM 1712 C PHE A 109 -7.418 8.103 5.940 1.00 0.00 C ATOM 1713 O PHE A 109 -7.671 7.871 7.121 1.00 0.00 O ATOM 1714 CB PHE A 109 -7.605 10.565 6.273 1.00 0.00 C ATOM 1715 CG PHE A 109 -6.155 11.052 6.293 1.00 0.00 C ATOM 1716 CD1 PHE A 109 -5.255 10.473 7.131 1.00 0.00 C ATOM 1717 CD2 PHE A 109 -5.767 12.065 5.473 1.00 0.00 C ATOM 1718 CE1 PHE A 109 -3.909 10.925 7.150 1.00 0.00 C ATOM 1719 CE2 PHE A 109 -4.422 12.519 5.492 1.00 0.00 C ATOM 1720 CZ PHE A 109 -3.520 11.939 6.330 1.00 0.00 C ATOM 0 H PHE A 109 -9.860 8.971 5.744 1.00 0.00 H new ATOM 0 HA PHE A 109 -7.304 9.542 4.367 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -8.255 11.401 6.015 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -7.883 10.243 7.276 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -5.564 9.669 7.783 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -6.482 12.524 4.807 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -3.194 10.464 7.815 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -4.115 13.325 4.842 1.00 0.00 H new ATOM 0 HZ PHE A 109 -2.496 12.283 6.344 1.00 0.00 H new ATOM 1730 N HIS A 110 -6.763 7.278 5.137 1.00 0.00 N ATOM 1731 CA HIS A 110 -6.280 5.994 5.616 1.00 0.00 C ATOM 1732 C HIS A 110 -4.791 6.098 5.952 1.00 0.00 C ATOM 1733 O HIS A 110 -4.067 6.885 5.345 1.00 0.00 O ATOM 1734 CB HIS A 110 -6.583 4.888 4.601 1.00 0.00 C ATOM 1735 CG HIS A 110 -8.002 4.901 4.085 1.00 0.00 C ATOM 1736 ND1 HIS A 110 -8.381 4.256 2.921 1.00 0.00 N ATOM 1737 CD2 HIS A 110 -9.128 5.484 4.587 1.00 0.00 C ATOM 1738 CE1 HIS A 110 -9.679 4.451 2.738 1.00 0.00 C ATOM 1739 NE2 HIS A 110 -10.140 5.212 3.773 1.00 0.00 N ATOM 0 H HIS A 110 -6.555 7.474 4.158 1.00 0.00 H new ATOM 0 HA HIS A 110 -6.805 5.722 6.532 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -5.900 4.986 3.758 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -6.384 3.921 5.062 1.00 0.00 H new ATOM 0 HD1 HIS A 110 -7.766 3.721 2.308 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -9.186 6.068 5.494 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -10.268 4.074 1.915 1.00 0.00 H new ATOM 1747 N THR A 111 -4.379 5.292 6.920 1.00 0.00 N ATOM 1748 CA THR A 111 -2.989 5.283 7.345 1.00 0.00 C ATOM 1749 C THR A 111 -2.438 3.856 7.337 1.00 0.00 C ATOM 1750 O THR A 111 -3.188 2.895 7.504 1.00 0.00 O ATOM 1751 CB THR A 111 -2.910 5.957 8.716 1.00 0.00 C ATOM 1752 OG1 THR A 111 -4.006 5.402 9.439 1.00 0.00 O ATOM 1753 CG2 THR A 111 -3.225 7.452 8.653 1.00 0.00 C ATOM 0 H THR A 111 -4.983 4.641 7.422 1.00 0.00 H new ATOM 0 HA THR A 111 -2.360 5.844 6.654 1.00 0.00 H new ATOM 0 HB THR A 111 -1.913 5.814 9.134 1.00 0.00 H new ATOM 0 HG1 THR A 111 -4.029 5.783 10.342 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.155 7.881 9.653 1.00 0.00 H new ATOM 0 HG22 THR A 111 -2.511 7.947 7.995 1.00 0.00 H new ATOM 0 HG23 THR A 111 -4.234 7.595 8.267 1.00 0.00 H new ATOM 1761 N PHE A 112 -1.131 3.762 7.138 1.00 0.00 N ATOM 1762 CA PHE A 112 -0.470 2.468 7.106 1.00 0.00 C ATOM 1763 C PHE A 112 1.028 2.611 7.379 1.00 0.00 C ATOM 1764 O PHE A 112 1.522 3.717 7.590 1.00 0.00 O ATOM 1765 CB PHE A 112 -0.670 1.900 5.699 1.00 0.00 C ATOM 1766 CG PHE A 112 -0.051 2.752 4.590 1.00 0.00 C ATOM 1767 CD1 PHE A 112 1.302 2.846 4.479 1.00 0.00 C ATOM 1768 CD2 PHE A 112 -0.852 3.418 3.715 1.00 0.00 C ATOM 1769 CE1 PHE A 112 1.877 3.638 3.449 1.00 0.00 C ATOM 1770 CE2 PHE A 112 -0.277 4.209 2.686 1.00 0.00 C ATOM 1771 CZ PHE A 112 1.075 4.303 2.575 1.00 0.00 C ATOM 0 H PHE A 112 -0.512 4.561 6.997 1.00 0.00 H new ATOM 0 HA PHE A 112 -0.890 1.815 7.872 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -0.239 0.900 5.658 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -1.738 1.795 5.509 1.00 0.00 H new ATOM 0 HD1 PHE A 112 1.939 2.319 5.174 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -1.926 3.345 3.803 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.951 3.712 3.360 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -0.914 4.736 1.991 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.512 4.906 1.793 1.00 0.00 H new ATOM 1781 N ALA A 113 1.711 1.475 7.364 1.00 0.00 N ATOM 1782 CA ALA A 113 3.143 1.460 7.607 1.00 0.00 C ATOM 1783 C ALA A 113 3.881 1.369 6.270 1.00 0.00 C ATOM 1784 O ALA A 113 3.540 0.545 5.422 1.00 0.00 O ATOM 1785 CB ALA A 113 3.489 0.301 8.544 1.00 0.00 C ATOM 0 H ALA A 113 1.299 0.559 7.187 1.00 0.00 H new ATOM 0 HA ALA A 113 3.460 2.381 8.097 1.00 0.00 H new ATOM 0 HB1 ALA A 113 4.564 0.289 8.727 1.00 0.00 H new ATOM 0 HB2 ALA A 113 2.962 0.428 9.489 1.00 0.00 H new ATOM 0 HB3 ALA A 113 3.189 -0.641 8.084 1.00 0.00 H new ATOM 1791 N GLY A 114 4.880 2.226 6.123 1.00 0.00 N ATOM 1792 CA GLY A 114 5.671 2.253 4.904 1.00 0.00 C ATOM 1793 C GLY A 114 7.138 1.931 5.194 1.00 0.00 C ATOM 1794 O GLY A 114 7.786 2.624 5.977 1.00 0.00 O ATOM 0 H GLY A 114 5.160 2.908 6.828 1.00 0.00 H new ATOM 0 HA2 GLY A 114 5.271 1.532 4.191 1.00 0.00 H new ATOM 0 HA3 GLY A 114 5.596 3.236 4.439 1.00 0.00 H new ATOM 1798 N ASP A 115 7.618 0.880 4.547 1.00 0.00 N ATOM 1799 CA ASP A 115 8.998 0.458 4.725 1.00 0.00 C ATOM 1800 C ASP A 115 9.301 0.342 6.220 1.00 0.00 C ATOM 1801 O ASP A 115 9.075 -0.706 6.824 1.00 0.00 O ATOM 1802 CB ASP A 115 9.968 1.476 4.123 1.00 0.00 C ATOM 1803 CG ASP A 115 11.418 1.342 4.592 1.00 0.00 C ATOM 1804 OD1 ASP A 115 12.019 0.290 4.287 1.00 0.00 O ATOM 1805 OD2 ASP A 115 11.893 2.298 5.244 1.00 0.00 O ATOM 0 H ASP A 115 7.077 0.308 3.899 1.00 0.00 H new ATOM 0 HA ASP A 115 9.125 -0.501 4.222 1.00 0.00 H new ATOM 0 HB2 ASP A 115 9.943 1.382 3.037 1.00 0.00 H new ATOM 0 HB3 ASP A 115 9.615 2.479 4.364 1.00 0.00 H new ATOM 1810 N THR A 116 9.810 1.432 6.775 1.00 0.00 N ATOM 1811 CA THR A 116 10.147 1.467 8.187 1.00 0.00 C ATOM 1812 C THR A 116 9.636 2.759 8.827 1.00 0.00 C ATOM 1813 O THR A 116 9.951 3.053 9.979 1.00 0.00 O ATOM 1814 CB THR A 116 11.660 1.280 8.317 1.00 0.00 C ATOM 1815 OG1 THR A 116 12.208 2.424 7.667 1.00 0.00 O ATOM 1816 CG2 THR A 116 12.178 0.100 7.492 1.00 0.00 C ATOM 0 H THR A 116 9.997 2.299 6.271 1.00 0.00 H new ATOM 0 HA THR A 116 9.658 0.659 8.730 1.00 0.00 H new ATOM 0 HB THR A 116 11.918 1.131 9.365 1.00 0.00 H new ATOM 0 HG1 THR A 116 12.378 2.215 6.725 1.00 0.00 H new ATOM 0 HG21 THR A 116 13.257 0.012 7.620 1.00 0.00 H new ATOM 0 HG22 THR A 116 11.697 -0.818 7.828 1.00 0.00 H new ATOM 0 HG23 THR A 116 11.950 0.264 6.439 1.00 0.00 H new ATOM 1824 N CYS A 117 8.858 3.498 8.050 1.00 0.00 N ATOM 1825 CA CYS A 117 8.301 4.754 8.526 1.00 0.00 C ATOM 1826 C CYS A 117 6.791 4.731 8.286 1.00 0.00 C ATOM 1827 O CYS A 117 6.324 4.163 7.300 1.00 0.00 O ATOM 1828 CB CYS A 117 8.967 5.958 7.857 1.00 0.00 C ATOM 1829 SG CYS A 117 9.258 5.608 6.085 1.00 0.00 S ATOM 0 H CYS A 117 8.600 3.252 7.094 1.00 0.00 H new ATOM 0 HA CYS A 117 8.497 4.860 9.593 1.00 0.00 H new ATOM 0 HB2 CYS A 117 8.334 6.839 7.963 1.00 0.00 H new ATOM 0 HB3 CYS A 117 9.912 6.183 8.352 1.00 0.00 H new ATOM 0 HG CYS A 117 8.596 4.544 5.738 1.00 0.00 H new ATOM 1835 N GLN A 118 6.068 5.356 9.205 1.00 0.00 N ATOM 1836 CA GLN A 118 4.620 5.413 9.105 1.00 0.00 C ATOM 1837 C GLN A 118 4.197 6.570 8.197 1.00 0.00 C ATOM 1838 O GLN A 118 4.559 7.720 8.440 1.00 0.00 O ATOM 1839 CB GLN A 118 3.980 5.540 10.488 1.00 0.00 C ATOM 1840 CG GLN A 118 2.467 5.740 10.377 1.00 0.00 C ATOM 1841 CD GLN A 118 1.712 4.532 10.938 1.00 0.00 C ATOM 1842 OE1 GLN A 118 0.769 4.846 11.821 1.00 0.00 O flip ATOM 1843 NE2 GLN A 118 1.970 3.391 10.590 1.00 0.00 N flip ATOM 0 H GLN A 118 6.458 5.827 10.021 1.00 0.00 H new ATOM 0 HA GLN A 118 4.268 4.481 8.662 1.00 0.00 H new ATOM 0 HB2 GLN A 118 4.190 4.645 11.073 1.00 0.00 H new ATOM 0 HB3 GLN A 118 4.423 6.381 11.022 1.00 0.00 H new ATOM 0 HG2 GLN A 118 2.175 6.640 10.918 1.00 0.00 H new ATOM 0 HG3 GLN A 118 2.192 5.893 9.333 1.00 0.00 H new ATOM 0 HE21 GLN A 118 2.708 3.221 9.907 1.00 0.00 H new ATOM 0 HE22 GLN A 118 1.448 2.608 10.982 1.00 0.00 H new ATOM 1852 N VAL A 119 3.435 6.225 7.169 1.00 0.00 N ATOM 1853 CA VAL A 119 2.958 7.219 6.223 1.00 0.00 C ATOM 1854 C VAL A 119 1.443 7.083 6.066 1.00 0.00 C ATOM 1855 O VAL A 119 0.899 5.985 6.183 1.00 0.00 O ATOM 1856 CB VAL A 119 3.711 7.086 4.898 1.00 0.00 C ATOM 1857 CG1 VAL A 119 5.039 7.843 4.943 1.00 0.00 C ATOM 1858 CG2 VAL A 119 3.932 5.614 4.540 1.00 0.00 C ATOM 0 H VAL A 119 3.136 5.270 6.971 1.00 0.00 H new ATOM 0 HA VAL A 119 3.157 8.224 6.594 1.00 0.00 H new ATOM 0 HB VAL A 119 3.097 7.534 4.117 1.00 0.00 H new ATOM 0 HG11 VAL A 119 5.554 7.732 3.989 1.00 0.00 H new ATOM 0 HG12 VAL A 119 4.849 8.900 5.132 1.00 0.00 H new ATOM 0 HG13 VAL A 119 5.662 7.438 5.740 1.00 0.00 H new ATOM 0 HG21 VAL A 119 4.469 5.546 3.594 1.00 0.00 H new ATOM 0 HG22 VAL A 119 4.516 5.133 5.324 1.00 0.00 H new ATOM 0 HG23 VAL A 119 2.968 5.114 4.446 1.00 0.00 H new ATOM 1868 N ALA A 120 0.803 8.212 5.802 1.00 0.00 N ATOM 1869 CA ALA A 120 -0.640 8.232 5.627 1.00 0.00 C ATOM 1870 C ALA A 120 -0.971 8.690 4.206 1.00 0.00 C ATOM 1871 O ALA A 120 -0.133 9.289 3.532 1.00 0.00 O ATOM 1872 CB ALA A 120 -1.271 9.131 6.692 1.00 0.00 C ATOM 0 H ALA A 120 1.257 9.120 5.705 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.056 7.233 5.756 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -2.353 9.146 6.561 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -1.031 8.745 7.683 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -0.879 10.143 6.592 1.00 0.00 H new ATOM 1878 N LEU A 121 -2.194 8.394 3.792 1.00 0.00 N ATOM 1879 CA LEU A 121 -2.646 8.768 2.463 1.00 0.00 C ATOM 1880 C LEU A 121 -3.944 9.569 2.577 1.00 0.00 C ATOM 1881 O LEU A 121 -4.807 9.246 3.392 1.00 0.00 O ATOM 1882 CB LEU A 121 -2.763 7.532 1.569 1.00 0.00 C ATOM 1883 CG LEU A 121 -3.745 6.456 2.037 1.00 0.00 C ATOM 1884 CD1 LEU A 121 -4.464 5.816 0.848 1.00 0.00 C ATOM 1885 CD2 LEU A 121 -3.042 5.415 2.910 1.00 0.00 C ATOM 0 H LEU A 121 -2.886 7.899 4.354 1.00 0.00 H new ATOM 0 HA LEU A 121 -1.913 9.414 1.980 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.059 7.856 0.571 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -1.776 7.080 1.477 1.00 0.00 H new ATOM 0 HG LEU A 121 -4.506 6.933 2.655 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -5.156 5.055 1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -5.017 6.581 0.303 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -3.732 5.356 0.185 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -3.762 4.662 3.229 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -2.247 4.937 2.338 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -2.615 5.903 3.786 1.00 0.00 H new ATOM 1897 N ASN A 122 -4.041 10.599 1.750 1.00 0.00 N ATOM 1898 CA ASN A 122 -5.220 11.450 1.748 1.00 0.00 C ATOM 1899 C ASN A 122 -5.820 11.480 0.340 1.00 0.00 C ATOM 1900 O ASN A 122 -5.271 12.117 -0.558 1.00 0.00 O ATOM 1901 CB ASN A 122 -4.864 12.884 2.141 1.00 0.00 C ATOM 1902 CG ASN A 122 -6.086 13.620 2.695 1.00 0.00 C ATOM 1903 OD1 ASN A 122 -7.211 13.151 2.624 1.00 0.00 O ATOM 1904 ND2 ASN A 122 -5.804 14.795 3.250 1.00 0.00 N ATOM 0 H ASN A 122 -3.323 10.864 1.076 1.00 0.00 H new ATOM 0 HA ASN A 122 -5.930 11.044 2.469 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -4.071 12.874 2.889 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -4.476 13.417 1.273 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -6.551 15.363 3.650 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -4.840 15.129 3.276 1.00 0.00 H new ATOM 1911 N PHE A 123 -6.936 10.783 0.192 1.00 0.00 N ATOM 1912 CA PHE A 123 -7.617 10.723 -1.090 1.00 0.00 C ATOM 1913 C PHE A 123 -8.080 12.113 -1.532 1.00 0.00 C ATOM 1914 O PHE A 123 -8.163 13.031 -0.717 1.00 0.00 O ATOM 1915 CB PHE A 123 -8.841 9.825 -0.906 1.00 0.00 C ATOM 1916 CG PHE A 123 -8.506 8.397 -0.471 1.00 0.00 C ATOM 1917 CD1 PHE A 123 -8.228 7.449 -1.406 1.00 0.00 C ATOM 1918 CD2 PHE A 123 -8.486 8.075 0.850 1.00 0.00 C ATOM 1919 CE1 PHE A 123 -7.916 6.124 -1.003 1.00 0.00 C ATOM 1920 CE2 PHE A 123 -8.175 6.749 1.253 1.00 0.00 C ATOM 1921 CZ PHE A 123 -7.897 5.802 0.319 1.00 0.00 C ATOM 0 H PHE A 123 -7.386 10.254 0.939 1.00 0.00 H new ATOM 0 HA PHE A 123 -6.940 10.336 -1.852 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -9.500 10.275 -0.164 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -9.395 9.787 -1.844 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -8.245 7.704 -2.455 1.00 0.00 H new ATOM 0 HD2 PHE A 123 -8.707 8.827 1.593 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -7.694 5.372 -1.745 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -8.159 6.493 2.302 1.00 0.00 H new ATOM 0 HZ PHE A 123 -7.661 4.794 0.626 1.00 0.00 H new ATOM 1931 N ALA A 124 -8.368 12.224 -2.820 1.00 0.00 N ATOM 1932 CA ALA A 124 -8.820 13.486 -3.379 1.00 0.00 C ATOM 1933 C ALA A 124 -10.344 13.575 -3.260 1.00 0.00 C ATOM 1934 O ALA A 124 -10.896 14.665 -3.112 1.00 0.00 O ATOM 1935 CB ALA A 124 -8.342 13.604 -4.828 1.00 0.00 C ATOM 0 H ALA A 124 -8.297 11.460 -3.493 1.00 0.00 H new ATOM 0 HA ALA A 124 -8.395 14.324 -2.826 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -8.681 14.551 -5.247 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -7.253 13.564 -4.856 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -8.751 12.781 -5.414 1.00 0.00 H new ATOM 1941 N ASN A 125 -10.980 12.415 -3.328 1.00 0.00 N ATOM 1942 CA ASN A 125 -12.427 12.349 -3.230 1.00 0.00 C ATOM 1943 C ASN A 125 -12.813 11.517 -2.005 1.00 0.00 C ATOM 1944 O ASN A 125 -12.062 10.637 -1.586 1.00 0.00 O ATOM 1945 CB ASN A 125 -13.034 11.680 -4.466 1.00 0.00 C ATOM 1946 CG ASN A 125 -14.060 12.594 -5.136 1.00 0.00 C ATOM 1947 OD1 ASN A 125 -14.658 13.458 -4.517 1.00 0.00 O ATOM 1948 ND2 ASN A 125 -14.230 12.357 -6.433 1.00 0.00 N ATOM 0 H ASN A 125 -10.519 11.513 -3.450 1.00 0.00 H new ATOM 0 HA ASN A 125 -12.806 13.368 -3.149 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -12.244 11.433 -5.175 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -13.510 10.742 -4.179 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -14.894 12.915 -6.971 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -13.697 11.618 -6.891 1.00 0.00 H new ATOM 1955 N GLU A 126 -13.983 11.825 -1.465 1.00 0.00 N ATOM 1956 CA GLU A 126 -14.478 11.116 -0.296 1.00 0.00 C ATOM 1957 C GLU A 126 -15.010 9.739 -0.696 1.00 0.00 C ATOM 1958 O GLU A 126 -14.626 8.728 -0.111 1.00 0.00 O ATOM 1959 CB GLU A 126 -15.553 11.932 0.424 1.00 0.00 C ATOM 1960 CG GLU A 126 -16.028 11.215 1.691 1.00 0.00 C ATOM 1961 CD GLU A 126 -15.964 12.144 2.904 1.00 0.00 C ATOM 1962 OE1 GLU A 126 -14.890 12.171 3.543 1.00 0.00 O ATOM 1963 OE2 GLU A 126 -16.991 12.808 3.165 1.00 0.00 O ATOM 0 H GLU A 126 -14.603 12.556 -1.815 1.00 0.00 H new ATOM 0 HA GLU A 126 -13.649 10.975 0.398 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -15.157 12.914 0.684 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -16.398 12.096 -0.244 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -17.050 10.863 1.552 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -15.409 10.336 1.869 1.00 0.00 H new ATOM 1970 N GLU A 127 -15.885 9.744 -1.691 1.00 0.00 N ATOM 1971 CA GLU A 127 -16.474 8.508 -2.176 1.00 0.00 C ATOM 1972 C GLU A 127 -15.377 7.513 -2.562 1.00 0.00 C ATOM 1973 O GLU A 127 -15.396 6.362 -2.126 1.00 0.00 O ATOM 1974 CB GLU A 127 -17.413 8.773 -3.354 1.00 0.00 C ATOM 1975 CG GLU A 127 -18.843 8.342 -3.023 1.00 0.00 C ATOM 1976 CD GLU A 127 -19.536 9.378 -2.135 1.00 0.00 C ATOM 1977 OE1 GLU A 127 -19.087 9.524 -0.978 1.00 0.00 O ATOM 1978 OE2 GLU A 127 -20.498 10.001 -2.634 1.00 0.00 O ATOM 0 H GLU A 127 -16.200 10.585 -2.175 1.00 0.00 H new ATOM 0 HA GLU A 127 -17.067 8.071 -1.373 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -17.398 9.834 -3.604 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -17.061 8.233 -4.233 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -19.410 8.211 -3.945 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -18.828 7.376 -2.518 1.00 0.00 H new ATOM 1985 N GLU A 128 -14.448 7.992 -3.375 1.00 0.00 N ATOM 1986 CA GLU A 128 -13.345 7.159 -3.824 1.00 0.00 C ATOM 1987 C GLU A 128 -12.631 6.530 -2.625 1.00 0.00 C ATOM 1988 O GLU A 128 -12.148 5.402 -2.708 1.00 0.00 O ATOM 1989 CB GLU A 128 -12.367 7.962 -4.685 1.00 0.00 C ATOM 1990 CG GLU A 128 -12.377 7.467 -6.132 1.00 0.00 C ATOM 1991 CD GLU A 128 -10.957 7.395 -6.697 1.00 0.00 C ATOM 1992 OE1 GLU A 128 -10.302 8.459 -6.723 1.00 0.00 O ATOM 1993 OE2 GLU A 128 -10.557 6.277 -7.090 1.00 0.00 O ATOM 0 H GLU A 128 -14.436 8.946 -3.735 1.00 0.00 H new ATOM 0 HA GLU A 128 -13.749 6.357 -4.442 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -12.634 9.018 -4.656 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -11.361 7.877 -4.275 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -12.842 6.482 -6.180 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -12.982 8.135 -6.744 1.00 0.00 H new ATOM 2000 N ALA A 129 -12.587 7.289 -1.539 1.00 0.00 N ATOM 2001 CA ALA A 129 -11.942 6.820 -0.325 1.00 0.00 C ATOM 2002 C ALA A 129 -12.796 5.721 0.311 1.00 0.00 C ATOM 2003 O ALA A 129 -12.265 4.765 0.874 1.00 0.00 O ATOM 2004 CB ALA A 129 -11.712 8.001 0.620 1.00 0.00 C ATOM 0 H ALA A 129 -12.988 8.225 -1.475 1.00 0.00 H new ATOM 0 HA ALA A 129 -10.967 6.389 -0.551 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -11.228 7.649 1.531 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -11.075 8.739 0.132 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -12.669 8.458 0.871 1.00 0.00 H new ATOM 2010 N LYS A 130 -14.105 5.895 0.199 1.00 0.00 N ATOM 2011 CA LYS A 130 -15.038 4.930 0.756 1.00 0.00 C ATOM 2012 C LYS A 130 -15.056 3.679 -0.122 1.00 0.00 C ATOM 2013 O LYS A 130 -15.270 2.572 0.371 1.00 0.00 O ATOM 2014 CB LYS A 130 -16.416 5.567 0.949 1.00 0.00 C ATOM 2015 CG LYS A 130 -16.533 6.216 2.329 1.00 0.00 C ATOM 2016 CD LYS A 130 -17.214 7.583 2.235 1.00 0.00 C ATOM 2017 CE LYS A 130 -18.483 7.623 3.089 1.00 0.00 C ATOM 2018 NZ LYS A 130 -19.593 8.249 2.337 1.00 0.00 N ATOM 0 H LYS A 130 -14.541 6.689 -0.269 1.00 0.00 H new ATOM 0 HA LYS A 130 -14.715 4.617 1.749 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -16.585 6.316 0.176 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -17.190 4.809 0.833 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -17.103 5.566 2.993 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -15.541 6.329 2.767 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -16.525 8.360 2.565 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -17.464 7.798 1.196 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -18.761 6.612 3.385 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -18.295 8.183 4.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -20.447 8.268 2.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -19.331 9.221 2.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -19.783 7.698 1.475 1.00 0.00 H new ATOM 2032 N LYS A 131 -14.828 3.894 -1.409 1.00 0.00 N ATOM 2033 CA LYS A 131 -14.815 2.798 -2.362 1.00 0.00 C ATOM 2034 C LYS A 131 -13.490 2.043 -2.247 1.00 0.00 C ATOM 2035 O LYS A 131 -13.443 0.829 -2.441 1.00 0.00 O ATOM 2036 CB LYS A 131 -15.111 3.309 -3.773 1.00 0.00 C ATOM 2037 CG LYS A 131 -16.254 4.326 -3.760 1.00 0.00 C ATOM 2038 CD LYS A 131 -17.502 3.757 -4.438 1.00 0.00 C ATOM 2039 CE LYS A 131 -18.582 4.831 -4.589 1.00 0.00 C ATOM 2040 NZ LYS A 131 -19.858 4.225 -5.029 1.00 0.00 N ATOM 0 H LYS A 131 -14.650 4.813 -1.815 1.00 0.00 H new ATOM 0 HA LYS A 131 -15.609 2.087 -2.134 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -14.216 3.768 -4.192 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -15.372 2.471 -4.420 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -16.488 4.602 -2.732 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -15.941 5.237 -4.271 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -17.239 3.361 -5.419 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -17.891 2.925 -3.852 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -18.726 5.346 -3.639 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -18.260 5.580 -5.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -20.580 4.968 -5.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -19.720 3.753 -5.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -20.172 3.527 -4.325 1.00 0.00 H new ATOM 2054 N PHE A 132 -12.444 2.793 -1.931 1.00 0.00 N ATOM 2055 CA PHE A 132 -11.121 2.211 -1.788 1.00 0.00 C ATOM 2056 C PHE A 132 -11.105 1.153 -0.682 1.00 0.00 C ATOM 2057 O PHE A 132 -10.750 0.001 -0.925 1.00 0.00 O ATOM 2058 CB PHE A 132 -10.170 3.346 -1.405 1.00 0.00 C ATOM 2059 CG PHE A 132 -8.823 3.301 -2.128 1.00 0.00 C ATOM 2060 CD1 PHE A 132 -8.701 3.834 -3.374 1.00 0.00 C ATOM 2061 CD2 PHE A 132 -7.747 2.728 -1.525 1.00 0.00 C ATOM 2062 CE1 PHE A 132 -7.450 3.792 -4.044 1.00 0.00 C ATOM 2063 CE2 PHE A 132 -6.497 2.686 -2.197 1.00 0.00 C ATOM 2064 CZ PHE A 132 -6.374 3.219 -3.441 1.00 0.00 C ATOM 0 H PHE A 132 -12.487 3.799 -1.770 1.00 0.00 H new ATOM 0 HA PHE A 132 -10.824 1.730 -2.720 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -10.654 4.299 -1.619 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -9.995 3.312 -0.330 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -9.555 4.289 -3.853 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -7.843 2.305 -0.536 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -7.353 4.215 -5.033 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -5.643 2.230 -1.719 1.00 0.00 H new ATOM 0 HZ PHE A 132 -5.422 3.188 -3.951 1.00 0.00 H new ATOM 2074 N ARG A 133 -11.492 1.584 0.510 1.00 0.00 N ATOM 2075 CA ARG A 133 -11.526 0.688 1.654 1.00 0.00 C ATOM 2076 C ARG A 133 -12.464 -0.489 1.379 1.00 0.00 C ATOM 2077 O ARG A 133 -12.202 -1.610 1.814 1.00 0.00 O ATOM 2078 CB ARG A 133 -11.995 1.421 2.913 1.00 0.00 C ATOM 2079 CG ARG A 133 -11.345 0.830 4.165 1.00 0.00 C ATOM 2080 CD ARG A 133 -12.204 1.094 5.404 1.00 0.00 C ATOM 2081 NE ARG A 133 -12.620 -0.189 6.014 1.00 0.00 N ATOM 2082 CZ ARG A 133 -11.865 -0.896 6.865 1.00 0.00 C ATOM 2083 NH1 ARG A 133 -10.650 -0.450 7.214 1.00 0.00 N ATOM 2084 NH2 ARG A 133 -12.324 -2.050 7.369 1.00 0.00 N ATOM 0 H ARG A 133 -11.784 2.541 0.708 1.00 0.00 H new ATOM 0 HA ARG A 133 -10.513 0.319 1.817 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -11.747 2.480 2.835 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -13.080 1.353 2.995 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -11.207 -0.243 4.036 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -10.355 1.264 4.305 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -11.642 1.685 6.127 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -13.083 1.678 5.130 1.00 0.00 H new ATOM 0 HE ARG A 133 -13.539 -0.558 5.771 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -10.300 0.428 6.831 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -10.076 -0.989 7.862 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -13.249 -2.390 7.105 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -11.749 -2.588 8.017 1.00 0.00 H new ATOM 2098 N LYS A 134 -13.535 -0.195 0.658 1.00 0.00 N ATOM 2099 CA LYS A 134 -14.512 -1.216 0.319 1.00 0.00 C ATOM 2100 C LYS A 134 -13.862 -2.254 -0.597 1.00 0.00 C ATOM 2101 O LYS A 134 -14.092 -3.453 -0.444 1.00 0.00 O ATOM 2102 CB LYS A 134 -15.772 -0.578 -0.271 1.00 0.00 C ATOM 2103 CG LYS A 134 -17.031 -1.116 0.412 1.00 0.00 C ATOM 2104 CD LYS A 134 -17.670 -0.050 1.304 1.00 0.00 C ATOM 2105 CE LYS A 134 -19.021 -0.524 1.844 1.00 0.00 C ATOM 2106 NZ LYS A 134 -20.109 0.355 1.362 1.00 0.00 N ATOM 0 H LYS A 134 -13.748 0.736 0.299 1.00 0.00 H new ATOM 0 HA LYS A 134 -14.839 -1.742 1.216 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -15.725 0.505 -0.154 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -15.820 -0.781 -1.341 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -17.747 -1.441 -0.342 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -16.779 -1.992 1.010 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -17.003 0.181 2.135 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -17.804 0.871 0.737 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -19.207 -1.550 1.526 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -19.003 -0.526 2.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -21.019 0.019 1.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -19.938 1.328 1.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -20.136 0.336 0.323 1.00 0.00 H new ATOM 2120 N ALA A 135 -13.063 -1.756 -1.530 1.00 0.00 N ATOM 2121 CA ALA A 135 -12.379 -2.626 -2.471 1.00 0.00 C ATOM 2122 C ALA A 135 -11.385 -3.509 -1.712 1.00 0.00 C ATOM 2123 O ALA A 135 -11.397 -4.731 -1.861 1.00 0.00 O ATOM 2124 CB ALA A 135 -11.700 -1.779 -3.549 1.00 0.00 C ATOM 0 H ALA A 135 -12.874 -0.761 -1.654 1.00 0.00 H new ATOM 0 HA ALA A 135 -13.089 -3.283 -2.972 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -11.187 -2.432 -4.255 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -12.451 -1.192 -4.078 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -10.977 -1.109 -3.084 1.00 0.00 H new ATOM 2130 N VAL A 136 -10.551 -2.857 -0.917 1.00 0.00 N ATOM 2131 CA VAL A 136 -9.553 -3.568 -0.136 1.00 0.00 C ATOM 2132 C VAL A 136 -10.231 -4.695 0.645 1.00 0.00 C ATOM 2133 O VAL A 136 -9.918 -5.868 0.447 1.00 0.00 O ATOM 2134 CB VAL A 136 -8.797 -2.587 0.764 1.00 0.00 C ATOM 2135 CG1 VAL A 136 -7.956 -3.333 1.803 1.00 0.00 C ATOM 2136 CG2 VAL A 136 -7.929 -1.639 -0.064 1.00 0.00 C ATOM 0 H VAL A 136 -10.545 -1.844 -0.796 1.00 0.00 H new ATOM 0 HA VAL A 136 -8.811 -4.026 -0.790 1.00 0.00 H new ATOM 0 HB VAL A 136 -9.534 -1.986 1.297 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -7.429 -2.613 2.429 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -8.607 -3.947 2.425 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -7.232 -3.970 1.295 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -7.403 -0.953 0.600 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -7.204 -2.217 -0.637 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -8.560 -1.070 -0.747 1.00 0.00 H new ATOM 2146 N THR A 137 -11.147 -4.301 1.516 1.00 0.00 N ATOM 2147 CA THR A 137 -11.872 -5.263 2.329 1.00 0.00 C ATOM 2148 C THR A 137 -12.459 -6.368 1.448 1.00 0.00 C ATOM 2149 O THR A 137 -12.287 -7.552 1.734 1.00 0.00 O ATOM 2150 CB THR A 137 -12.927 -4.503 3.133 1.00 0.00 C ATOM 2151 OG1 THR A 137 -13.724 -3.860 2.143 1.00 0.00 O ATOM 2152 CG2 THR A 137 -12.329 -3.347 3.939 1.00 0.00 C ATOM 0 H THR A 137 -11.405 -3.327 1.677 1.00 0.00 H new ATOM 0 HA THR A 137 -11.209 -5.767 3.032 1.00 0.00 H new ATOM 0 HB THR A 137 -13.434 -5.193 3.808 1.00 0.00 H new ATOM 0 HG1 THR A 137 -13.322 -2.997 1.909 1.00 0.00 H new ATOM 0 HG21 THR A 137 -13.121 -2.841 4.491 1.00 0.00 H new ATOM 0 HG22 THR A 137 -11.590 -3.736 4.639 1.00 0.00 H new ATOM 0 HG23 THR A 137 -11.850 -2.640 3.261 1.00 0.00 H new ATOM 2160 N ASP A 138 -13.140 -5.942 0.394 1.00 0.00 N ATOM 2161 CA ASP A 138 -13.753 -6.880 -0.530 1.00 0.00 C ATOM 2162 C ASP A 138 -12.690 -7.855 -1.042 1.00 0.00 C ATOM 2163 O ASP A 138 -12.950 -9.050 -1.172 1.00 0.00 O ATOM 2164 CB ASP A 138 -14.350 -6.155 -1.737 1.00 0.00 C ATOM 2165 CG ASP A 138 -15.871 -5.999 -1.711 1.00 0.00 C ATOM 2166 OD1 ASP A 138 -16.550 -7.009 -1.998 1.00 0.00 O ATOM 2167 OD2 ASP A 138 -16.322 -4.873 -1.406 1.00 0.00 O ATOM 0 H ASP A 138 -13.281 -4.959 0.160 1.00 0.00 H new ATOM 0 HA ASP A 138 -14.545 -7.407 0.002 1.00 0.00 H new ATOM 0 HB2 ASP A 138 -13.900 -5.165 -1.806 1.00 0.00 H new ATOM 0 HB3 ASP A 138 -14.071 -6.696 -2.641 1.00 0.00 H new ATOM 2172 N LEU A 139 -11.517 -7.306 -1.319 1.00 0.00 N ATOM 2173 CA LEU A 139 -10.413 -8.112 -1.815 1.00 0.00 C ATOM 2174 C LEU A 139 -9.916 -9.030 -0.697 1.00 0.00 C ATOM 2175 O LEU A 139 -9.730 -10.228 -0.907 1.00 0.00 O ATOM 2176 CB LEU A 139 -9.321 -7.218 -2.407 1.00 0.00 C ATOM 2177 CG LEU A 139 -8.275 -7.923 -3.273 1.00 0.00 C ATOM 2178 CD1 LEU A 139 -7.580 -6.932 -4.209 1.00 0.00 C ATOM 2179 CD2 LEU A 139 -7.274 -8.691 -2.407 1.00 0.00 C ATOM 0 H LEU A 139 -11.306 -6.314 -1.210 1.00 0.00 H new ATOM 0 HA LEU A 139 -10.746 -8.753 -2.631 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -9.799 -6.443 -3.007 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -8.807 -6.715 -1.588 1.00 0.00 H new ATOM 0 HG LEU A 139 -8.787 -8.654 -3.900 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -6.841 -7.459 -4.813 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -8.319 -6.469 -4.862 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -7.083 -6.162 -3.619 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -6.541 -9.183 -3.047 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -6.764 -7.997 -1.738 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -7.802 -9.441 -1.818 1.00 0.00 H new ATOM 2191 N LEU A 140 -9.714 -8.434 0.469 1.00 0.00 N ATOM 2192 CA LEU A 140 -9.242 -9.184 1.622 1.00 0.00 C ATOM 2193 C LEU A 140 -10.264 -10.266 1.974 1.00 0.00 C ATOM 2194 O LEU A 140 -9.894 -11.364 2.387 1.00 0.00 O ATOM 2195 CB LEU A 140 -8.922 -8.239 2.781 1.00 0.00 C ATOM 2196 CG LEU A 140 -7.452 -7.845 2.941 1.00 0.00 C ATOM 2197 CD1 LEU A 140 -7.202 -6.433 2.407 1.00 0.00 C ATOM 2198 CD2 LEU A 140 -6.998 -7.998 4.394 1.00 0.00 C ATOM 0 H LEU A 140 -9.868 -7.440 0.641 1.00 0.00 H new ATOM 0 HA LEU A 140 -8.307 -9.693 1.389 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -9.509 -7.330 2.655 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -9.255 -8.707 3.707 1.00 0.00 H new ATOM 0 HG LEU A 140 -6.848 -8.527 2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -6.150 -6.177 2.533 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -7.461 -6.393 1.349 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -7.816 -5.721 2.958 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -5.950 -7.712 4.480 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -7.603 -7.356 5.034 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -7.117 -9.036 4.705 1.00 0.00 H new ATOM 2210 N GLY A 141 -11.531 -9.919 1.797 1.00 0.00 N ATOM 2211 CA GLY A 141 -12.610 -10.847 2.091 1.00 0.00 C ATOM 2212 C GLY A 141 -12.630 -12.000 1.086 1.00 0.00 C ATOM 2213 O GLY A 141 -12.717 -13.164 1.473 1.00 0.00 O ATOM 0 H GLY A 141 -11.834 -9.008 1.454 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -12.490 -11.241 3.100 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -13.564 -10.321 2.065 1.00 0.00 H new ATOM 2217 N ARG A 142 -12.548 -11.636 -0.185 1.00 0.00 N ATOM 2218 CA ARG A 142 -12.557 -12.625 -1.249 1.00 0.00 C ATOM 2219 C ARG A 142 -11.309 -13.506 -1.165 1.00 0.00 C ATOM 2220 O ARG A 142 -11.391 -14.722 -1.337 1.00 0.00 O ATOM 2221 CB ARG A 142 -12.607 -11.954 -2.625 1.00 0.00 C ATOM 2222 CG ARG A 142 -13.037 -12.950 -3.704 1.00 0.00 C ATOM 2223 CD ARG A 142 -14.476 -12.683 -4.153 1.00 0.00 C ATOM 2224 NE ARG A 142 -14.515 -12.450 -5.614 1.00 0.00 N ATOM 2225 CZ ARG A 142 -15.643 -12.374 -6.333 1.00 0.00 C ATOM 2226 NH1 ARG A 142 -16.832 -12.514 -5.730 1.00 0.00 N ATOM 2227 NH2 ARG A 142 -15.583 -12.161 -7.654 1.00 0.00 N ATOM 0 H ARG A 142 -12.475 -10.669 -0.502 1.00 0.00 H new ATOM 0 HA ARG A 142 -13.449 -13.239 -1.124 1.00 0.00 H new ATOM 0 HB2 ARG A 142 -13.303 -11.116 -2.600 1.00 0.00 H new ATOM 0 HB3 ARG A 142 -11.626 -11.546 -2.871 1.00 0.00 H new ATOM 0 HG2 ARG A 142 -12.366 -12.877 -4.560 1.00 0.00 H new ATOM 0 HG3 ARG A 142 -12.955 -13.967 -3.320 1.00 0.00 H new ATOM 0 HD2 ARG A 142 -15.110 -13.531 -3.895 1.00 0.00 H new ATOM 0 HD3 ARG A 142 -14.875 -11.815 -3.627 1.00 0.00 H new ATOM 0 HE ARG A 142 -13.627 -12.340 -6.104 1.00 0.00 H new ATOM 0 HH11 ARG A 142 -16.878 -12.678 -4.724 1.00 0.00 H new ATOM 0 HH12 ARG A 142 -17.691 -12.456 -6.277 1.00 0.00 H new ATOM 0 HH21 ARG A 142 -14.678 -12.057 -8.113 1.00 0.00 H new ATOM 0 HH22 ARG A 142 -16.442 -12.103 -8.201 1.00 0.00 H new