USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 913 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 20 ASN : amide:sc= -1.14 K(o=-3.9,f=-11!) USER MOD Set 1.2: A 80 ASN : amide:sc= -2.78 K(o=-3.9,f=-14!) USER MOD Set 2.1: A 10 MET CE :methyl 146:sc=-0.00735 (180deg=0) USER MOD Set 2.2: A 69 GLN : amide:sc= -0.99 X(o=-1,f=-1.1) USER MOD Set 3.1: A 35 ASN : amide:sc= -2.23 K(o=-2.3,f=-3.8!) USER MOD Set 3.2: A 57 HIS : no HD1:sc= -0.0634 K(o=-2.3,f=-4.8) USER MOD Set 4.1: A 23 CYS SG : rot 141:sc= 0.28 USER MOD Set 4.2: A 26 CYS SG : rot -45:sc= -2.21 USER MOD Set 4.3: A 28 GLN : amide:sc= 0.633 K(o=-0.72,f=-3) USER MOD Set 4.4: A 43 CYS SG : rot 171:sc= 1.17 USER MOD Set 4.5: A 46 CYS SG : rot 139:sc= -0.595 USER MOD Set 5.1: A 33 TYR OH : rot -103:sc= 0.666 USER MOD Set 5.2: A 61 SER OG : rot -22:sc= 1.99 USER MOD Single : A 9 LYS NZ :NH3+ 156:sc= -0.0831 (180deg=-0.435) USER MOD Single : A 14 MET CE :methyl -170:sc= -1.59 (180deg=-1.77) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0279 USER MOD Single : A 19 HIS : no HE2:sc= -10.9! C(o=-11!,f=-15!) USER MOD Single : A 22 LYS NZ :NH3+ 146:sc= -0.575 (180deg=-2.13!) USER MOD Single : A 32 THR OG1 : rot -60:sc= 1.21 USER MOD Single : A 36 MET CE :methyl 170:sc= -2.56! (180deg=-2.86!) USER MOD Single : A 37 THR OG1 : rot -140:sc= 0.681 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -49:sc= 0.812 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -94:sc= 1.22 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc=-0.00726 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.421 K(o=-0.42,f=-2.7!) USER MOD Single : A 76 GLN : amide:sc= -0.538 K(o=-0.54,f=-1.5!) USER MOD Single : A 77 LYS NZ :NH3+ 162:sc= -0.345 (180deg=-0.635) USER MOD Single : A 78 HIS : no HD1:sc= -0.355 K(o=-0.36,f=-2.1) USER MOD Single : A 83 CYS SG : rot 30:sc= -1.34 USER MOD Single : A 84 LYS NZ :NH3+ -113:sc= -1.8! (180deg=-5.56!) USER MOD Single : A 85 GLN : amide:sc= 0.187 X(o=0.19,f=0) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= -2.14 X(o=-2.1,f=-2.5!) USER MOD Single : A 114 LYS NZ :NH3+ -110:sc= -1.65! (180deg=-3.66!) USER MOD Single : A 115 TYR OH : rot 19:sc= 0.145 USER MOD Single : A 117 LYS NZ :NH3+ -122:sc= -0.558 (180deg=-2.25!) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 3.312 -19.755 5.699 1.00 0.00 N ATOM 60 CA GLY A 7 2.505 -18.640 5.239 1.00 0.00 C ATOM 61 C GLY A 7 1.909 -17.844 6.384 1.00 0.00 C ATOM 62 O GLY A 7 2.080 -16.627 6.459 1.00 0.00 O ATOM 0 HA2 GLY A 7 3.118 -17.982 4.623 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.702 -19.014 4.604 1.00 0.00 H new ATOM 66 N LEU A 8 1.206 -18.532 7.277 1.00 0.00 N ATOM 67 CA LEU A 8 0.581 -17.882 8.423 1.00 0.00 C ATOM 68 C LEU A 8 1.631 -17.430 9.433 1.00 0.00 C ATOM 69 O LEU A 8 1.562 -16.321 9.963 1.00 0.00 O ATOM 70 CB LEU A 8 -0.413 -18.832 9.094 1.00 0.00 C ATOM 71 CG LEU A 8 -1.834 -18.826 8.528 1.00 0.00 C ATOM 72 CD1 LEU A 8 -2.520 -17.501 8.822 1.00 0.00 C ATOM 73 CD2 LEU A 8 -1.813 -19.098 7.031 1.00 0.00 C ATOM 0 H LEU A 8 1.055 -19.540 7.229 1.00 0.00 H new ATOM 0 HA LEU A 8 0.047 -17.002 8.063 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.020 -19.846 9.024 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.464 -18.583 10.154 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.401 -19.620 9.013 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.530 -17.515 8.412 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.568 -17.348 9.900 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.954 -16.689 8.365 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.832 -19.090 6.645 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.229 -18.326 6.529 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.362 -20.073 6.845 1.00 0.00 H new ATOM 85 N LYS A 9 2.604 -18.296 9.694 1.00 0.00 N ATOM 86 CA LYS A 9 3.672 -17.986 10.638 1.00 0.00 C ATOM 87 C LYS A 9 4.343 -16.663 10.284 1.00 0.00 C ATOM 88 O LYS A 9 4.694 -15.880 11.166 1.00 0.00 O ATOM 89 CB LYS A 9 4.710 -19.110 10.651 1.00 0.00 C ATOM 90 CG LYS A 9 5.944 -18.789 11.477 1.00 0.00 C ATOM 91 CD LYS A 9 6.852 -19.999 11.617 1.00 0.00 C ATOM 92 CE LYS A 9 7.859 -20.074 10.479 1.00 0.00 C ATOM 93 NZ LYS A 9 8.845 -18.959 10.536 1.00 0.00 N ATOM 0 H LYS A 9 2.675 -19.219 9.265 1.00 0.00 H new ATOM 0 HA LYS A 9 3.232 -17.895 11.631 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.247 -20.016 11.042 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.014 -19.324 9.626 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.494 -17.973 11.009 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.641 -18.444 12.466 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.380 -19.951 12.569 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.250 -20.907 11.632 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.386 -21.027 10.523 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.332 -20.044 9.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.715 -19.240 10.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.443 -18.116 10.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.066 -18.742 11.529 1.00 0.00 H new ATOM 107 N MET A 10 4.518 -16.421 8.989 1.00 0.00 N ATOM 108 CA MET A 10 5.145 -15.191 8.520 1.00 0.00 C ATOM 109 C MET A 10 4.193 -14.007 8.661 1.00 0.00 C ATOM 110 O MET A 10 4.568 -12.954 9.179 1.00 0.00 O ATOM 111 CB MET A 10 5.580 -15.339 7.060 1.00 0.00 C ATOM 112 CG MET A 10 6.781 -16.252 6.874 1.00 0.00 C ATOM 113 SD MET A 10 7.757 -15.828 5.419 1.00 0.00 S ATOM 114 CE MET A 10 7.158 -17.041 4.245 1.00 0.00 C ATOM 0 H MET A 10 4.235 -17.060 8.246 1.00 0.00 H new ATOM 0 HA MET A 10 6.024 -15.003 9.136 1.00 0.00 H new ATOM 0 HB2 MET A 10 4.744 -15.728 6.478 1.00 0.00 H new ATOM 0 HB3 MET A 10 5.817 -14.354 6.658 1.00 0.00 H new ATOM 0 HG2 MET A 10 7.414 -16.198 7.760 1.00 0.00 H new ATOM 0 HG3 MET A 10 6.439 -17.283 6.789 1.00 0.00 H new ATOM 0 HE1 MET A 10 7.151 -16.607 3.245 1.00 0.00 H new ATOM 0 HE2 MET A 10 7.812 -17.913 4.257 1.00 0.00 H new ATOM 0 HE3 MET A 10 6.146 -17.342 4.517 1.00 0.00 H new ATOM 124 N LEU A 11 2.961 -14.186 8.197 1.00 0.00 N ATOM 125 CA LEU A 11 1.955 -13.132 8.271 1.00 0.00 C ATOM 126 C LEU A 11 1.947 -12.483 9.652 1.00 0.00 C ATOM 127 O LEU A 11 2.227 -11.292 9.790 1.00 0.00 O ATOM 128 CB LEU A 11 0.570 -13.698 7.953 1.00 0.00 C ATOM 129 CG LEU A 11 -0.549 -12.673 7.772 1.00 0.00 C ATOM 130 CD1 LEU A 11 -0.606 -11.729 8.963 1.00 0.00 C ATOM 131 CD2 LEU A 11 -0.354 -11.893 6.480 1.00 0.00 C ATOM 0 H LEU A 11 2.635 -15.051 7.766 1.00 0.00 H new ATOM 0 HA LEU A 11 2.207 -12.370 7.533 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.643 -14.291 7.042 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.285 -14.379 8.755 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.498 -13.206 7.711 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.409 -11.006 8.816 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.794 -12.301 9.872 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.344 -11.202 9.056 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.160 -11.168 6.368 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.602 -11.371 6.511 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.364 -12.581 5.635 1.00 0.00 H new ATOM 143 N ARG A 12 1.627 -13.275 10.670 1.00 0.00 N ATOM 144 CA ARG A 12 1.584 -12.778 12.040 1.00 0.00 C ATOM 145 C ARG A 12 2.761 -11.847 12.318 1.00 0.00 C ATOM 146 O ARG A 12 2.661 -10.930 13.133 1.00 0.00 O ATOM 147 CB ARG A 12 1.598 -13.945 13.029 1.00 0.00 C ATOM 148 CG ARG A 12 0.462 -14.933 12.822 1.00 0.00 C ATOM 149 CD ARG A 12 0.425 -15.979 13.925 1.00 0.00 C ATOM 150 NE ARG A 12 -0.216 -15.476 15.136 1.00 0.00 N ATOM 151 CZ ARG A 12 -0.616 -16.255 16.135 1.00 0.00 C ATOM 152 NH1 ARG A 12 -0.441 -17.568 16.066 1.00 0.00 N ATOM 153 NH2 ARG A 12 -1.192 -15.723 17.205 1.00 0.00 N ATOM 0 H ARG A 12 1.394 -14.263 10.572 1.00 0.00 H new ATOM 0 HA ARG A 12 0.660 -12.214 12.167 1.00 0.00 H new ATOM 0 HB2 ARG A 12 2.548 -14.473 12.941 1.00 0.00 H new ATOM 0 HB3 ARG A 12 1.545 -13.551 14.044 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -0.487 -14.397 12.795 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.578 -15.425 11.856 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.110 -16.860 13.571 1.00 0.00 H new ATOM 0 HD3 ARG A 12 1.442 -16.296 14.158 1.00 0.00 H new ATOM 0 HE ARG A 12 -0.365 -14.470 15.220 1.00 0.00 H new ATOM 0 HH11 ARG A 12 0.001 -17.981 15.245 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.749 -18.165 16.834 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.329 -14.714 17.262 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -1.498 -16.323 17.971 1.00 0.00 H new ATOM 167 N ASP A 13 3.875 -12.091 11.636 1.00 0.00 N ATOM 168 CA ASP A 13 5.071 -11.274 11.809 1.00 0.00 C ATOM 169 C ASP A 13 4.883 -9.895 11.184 1.00 0.00 C ATOM 170 O ASP A 13 5.298 -8.885 11.749 1.00 0.00 O ATOM 171 CB ASP A 13 6.283 -11.969 11.186 1.00 0.00 C ATOM 172 CG ASP A 13 7.596 -11.432 11.720 1.00 0.00 C ATOM 173 OD1 ASP A 13 7.930 -11.734 12.885 1.00 0.00 O ATOM 174 OD2 ASP A 13 8.289 -10.711 10.973 1.00 0.00 O ATOM 0 H ASP A 13 3.975 -12.847 10.959 1.00 0.00 H new ATOM 0 HA ASP A 13 5.243 -11.148 12.878 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.225 -13.040 11.382 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.255 -11.841 10.104 1.00 0.00 H new ATOM 179 N MET A 14 4.254 -9.863 10.013 1.00 0.00 N ATOM 180 CA MET A 14 4.011 -8.608 9.311 1.00 0.00 C ATOM 181 C MET A 14 3.059 -7.717 10.103 1.00 0.00 C ATOM 182 O MET A 14 3.432 -6.630 10.545 1.00 0.00 O ATOM 183 CB MET A 14 3.435 -8.880 7.920 1.00 0.00 C ATOM 184 CG MET A 14 4.497 -9.075 6.850 1.00 0.00 C ATOM 185 SD MET A 14 3.818 -9.028 5.181 1.00 0.00 S ATOM 186 CE MET A 14 3.337 -10.740 4.962 1.00 0.00 C ATOM 0 H MET A 14 3.904 -10.691 9.531 1.00 0.00 H new ATOM 0 HA MET A 14 4.964 -8.089 9.207 1.00 0.00 H new ATOM 0 HB2 MET A 14 2.807 -9.770 7.963 1.00 0.00 H new ATOM 0 HB3 MET A 14 2.791 -8.049 7.634 1.00 0.00 H new ATOM 0 HG2 MET A 14 5.256 -8.299 6.951 1.00 0.00 H new ATOM 0 HG3 MET A 14 4.996 -10.031 7.008 1.00 0.00 H new ATOM 0 HE1 MET A 14 3.065 -10.911 3.920 1.00 0.00 H new ATOM 0 HE2 MET A 14 4.170 -11.389 5.231 1.00 0.00 H new ATOM 0 HE3 MET A 14 2.483 -10.963 5.601 1.00 0.00 H new ATOM 196 N THR A 15 1.828 -8.185 10.280 1.00 0.00 N ATOM 197 CA THR A 15 0.822 -7.431 11.018 1.00 0.00 C ATOM 198 C THR A 15 1.312 -7.087 12.420 1.00 0.00 C ATOM 199 O THR A 15 0.746 -6.225 13.091 1.00 0.00 O ATOM 200 CB THR A 15 -0.500 -8.214 11.126 1.00 0.00 C ATOM 201 OG1 THR A 15 -1.381 -7.563 12.048 1.00 0.00 O ATOM 202 CG2 THR A 15 -0.247 -9.643 11.582 1.00 0.00 C ATOM 0 H THR A 15 1.503 -9.083 9.922 1.00 0.00 H new ATOM 0 HA THR A 15 0.646 -6.510 10.462 1.00 0.00 H new ATOM 0 HB THR A 15 -0.962 -8.241 10.139 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.220 -8.066 12.110 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.195 -10.176 11.651 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.400 -10.145 10.863 1.00 0.00 H new ATOM 0 HG23 THR A 15 0.235 -9.633 12.559 1.00 0.00 H new ATOM 210 N GLY A 16 2.368 -7.766 12.856 1.00 0.00 N ATOM 211 CA GLY A 16 2.917 -7.517 14.176 1.00 0.00 C ATOM 212 C GLY A 16 3.756 -6.255 14.227 1.00 0.00 C ATOM 213 O GLY A 16 3.781 -5.558 15.243 1.00 0.00 O ATOM 0 H GLY A 16 2.853 -8.484 12.319 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.102 -7.437 14.896 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.527 -8.368 14.479 1.00 0.00 H new ATOM 217 N LEU A 17 4.445 -5.960 13.131 1.00 0.00 N ATOM 218 CA LEU A 17 5.291 -4.774 13.054 1.00 0.00 C ATOM 219 C LEU A 17 4.610 -3.577 13.710 1.00 0.00 C ATOM 220 O LEU A 17 3.384 -3.483 13.767 1.00 0.00 O ATOM 221 CB LEU A 17 5.621 -4.452 11.596 1.00 0.00 C ATOM 222 CG LEU A 17 6.468 -5.487 10.855 1.00 0.00 C ATOM 223 CD1 LEU A 17 6.192 -5.431 9.360 1.00 0.00 C ATOM 224 CD2 LEU A 17 7.947 -5.266 11.135 1.00 0.00 C ATOM 0 H LEU A 17 4.435 -6.526 12.282 1.00 0.00 H new ATOM 0 HA LEU A 17 6.216 -4.982 13.591 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.685 -4.322 11.053 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.143 -3.496 11.565 1.00 0.00 H new ATOM 0 HG LEU A 17 6.195 -6.478 11.217 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.804 -6.175 8.849 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.138 -5.640 9.177 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.436 -4.438 8.982 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.534 -6.012 10.599 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.235 -4.269 10.802 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.132 -5.358 12.205 1.00 0.00 H new ATOM 236 N PRO A 18 5.423 -2.637 14.215 1.00 0.00 N ATOM 237 CA PRO A 18 4.921 -1.427 14.874 1.00 0.00 C ATOM 238 C PRO A 18 4.259 -0.466 13.893 1.00 0.00 C ATOM 239 O PRO A 18 3.442 0.370 14.282 1.00 0.00 O ATOM 240 CB PRO A 18 6.183 -0.798 15.469 1.00 0.00 C ATOM 241 CG PRO A 18 7.296 -1.301 14.615 1.00 0.00 C ATOM 242 CD PRO A 18 6.894 -2.684 14.183 1.00 0.00 C ATOM 0 HA PRO A 18 4.152 -1.654 15.613 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.130 0.291 15.449 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.319 -1.092 16.510 1.00 0.00 H new ATOM 0 HG2 PRO A 18 7.450 -0.652 13.753 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.234 -1.323 15.169 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.267 -2.918 13.186 1.00 0.00 H new ATOM 0 HD3 PRO A 18 7.287 -3.446 14.857 1.00 0.00 H new ATOM 250 N HIS A 19 4.615 -0.590 12.618 1.00 0.00 N ATOM 251 CA HIS A 19 4.054 0.268 11.580 1.00 0.00 C ATOM 252 C HIS A 19 2.752 -0.314 11.039 1.00 0.00 C ATOM 253 O HIS A 19 2.105 0.281 10.179 1.00 0.00 O ATOM 254 CB HIS A 19 5.058 0.450 10.441 1.00 0.00 C ATOM 255 CG HIS A 19 5.945 -0.738 10.230 1.00 0.00 C ATOM 256 ND1 HIS A 19 7.125 -0.928 10.917 1.00 0.00 N ATOM 257 CD2 HIS A 19 5.817 -1.802 9.402 1.00 0.00 C ATOM 258 CE1 HIS A 19 7.686 -2.057 10.520 1.00 0.00 C ATOM 259 NE2 HIS A 19 6.912 -2.606 9.602 1.00 0.00 N ATOM 0 H HIS A 19 5.289 -1.276 12.279 1.00 0.00 H new ATOM 0 HA HIS A 19 3.840 1.240 12.024 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.515 0.656 9.519 1.00 0.00 H new ATOM 0 HB3 HIS A 19 5.677 1.323 10.649 1.00 0.00 H new ATOM 0 HD1 HIS A 19 7.506 -0.296 11.621 1.00 0.00 H new ATOM 0 HD2 HIS A 19 5.005 -1.984 8.713 1.00 0.00 H new ATOM 0 HE1 HIS A 19 8.619 -2.462 10.884 1.00 0.00 H new ATOM 267 N ASN A 20 2.375 -1.482 11.549 1.00 0.00 N ATOM 268 CA ASN A 20 1.151 -2.146 11.115 1.00 0.00 C ATOM 269 C ASN A 20 0.195 -2.343 12.288 1.00 0.00 C ATOM 270 O ASN A 20 -0.986 -2.636 12.097 1.00 0.00 O ATOM 271 CB ASN A 20 1.477 -3.497 10.477 1.00 0.00 C ATOM 272 CG ASN A 20 2.295 -3.354 9.207 1.00 0.00 C ATOM 273 OD1 ASN A 20 2.287 -2.304 8.566 1.00 0.00 O ATOM 274 ND2 ASN A 20 3.006 -4.414 8.839 1.00 0.00 N ATOM 0 H ASN A 20 2.899 -1.988 12.263 1.00 0.00 H new ATOM 0 HA ASN A 20 0.665 -1.510 10.375 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.025 -4.111 11.192 1.00 0.00 H new ATOM 0 HB3 ASN A 20 0.549 -4.023 10.251 1.00 0.00 H new ATOM 0 HD21 ASN A 20 3.576 -4.378 7.994 1.00 0.00 H new ATOM 0 HD22 ASN A 20 2.982 -5.264 9.402 1.00 0.00 H new ATOM 281 N ARG A 21 0.712 -2.179 13.501 1.00 0.00 N ATOM 282 CA ARG A 21 -0.095 -2.339 14.704 1.00 0.00 C ATOM 283 C ARG A 21 -1.483 -1.735 14.512 1.00 0.00 C ATOM 284 O ARG A 21 -2.471 -2.237 15.049 1.00 0.00 O ATOM 285 CB ARG A 21 0.598 -1.683 15.900 1.00 0.00 C ATOM 286 CG ARG A 21 1.768 -2.487 16.442 1.00 0.00 C ATOM 287 CD ARG A 21 1.312 -3.825 17.003 1.00 0.00 C ATOM 288 NE ARG A 21 0.274 -3.668 18.019 1.00 0.00 N ATOM 289 CZ ARG A 21 -0.205 -4.674 18.740 1.00 0.00 C ATOM 290 NH1 ARG A 21 0.257 -5.904 18.560 1.00 0.00 N ATOM 291 NH2 ARG A 21 -1.149 -4.452 19.646 1.00 0.00 N ATOM 0 H ARG A 21 1.687 -1.935 13.677 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.206 -3.406 14.898 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.952 -0.695 15.607 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.132 -1.537 16.697 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.496 -2.653 15.648 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.272 -1.917 17.222 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.934 -4.448 16.192 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.166 -4.347 17.435 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.103 -2.735 18.183 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.983 -6.080 17.865 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -0.114 -6.675 19.116 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.507 -3.508 19.789 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.517 -5.226 20.200 1.00 0.00 H new ATOM 305 N LYS A 22 -1.550 -0.653 13.744 1.00 0.00 N ATOM 306 CA LYS A 22 -2.816 0.021 13.479 1.00 0.00 C ATOM 307 C LYS A 22 -3.149 -0.011 11.991 1.00 0.00 C ATOM 308 O LYS A 22 -2.264 -0.175 11.150 1.00 0.00 O ATOM 309 CB LYS A 22 -2.759 1.469 13.969 1.00 0.00 C ATOM 310 CG LYS A 22 -3.033 1.620 15.455 1.00 0.00 C ATOM 311 CD LYS A 22 -2.884 3.064 15.906 1.00 0.00 C ATOM 312 CE LYS A 22 -1.444 3.386 16.275 1.00 0.00 C ATOM 313 NZ LYS A 22 -0.597 3.602 15.070 1.00 0.00 N ATOM 0 H LYS A 22 -0.742 -0.224 13.294 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.600 -0.508 14.020 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.775 1.881 13.746 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.485 2.061 13.412 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.041 1.271 15.677 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.346 0.989 16.019 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.215 3.731 15.110 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.530 3.247 16.764 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.420 4.279 16.900 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.030 2.570 16.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.122 4.325 15.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.128 2.711 14.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.193 3.922 14.280 1.00 0.00 H new ATOM 327 N CYS A 23 -4.429 0.150 11.672 1.00 0.00 N ATOM 328 CA CYS A 23 -4.878 0.141 10.285 1.00 0.00 C ATOM 329 C CYS A 23 -4.119 1.176 9.460 1.00 0.00 C ATOM 330 O CYS A 23 -3.348 1.971 9.999 1.00 0.00 O ATOM 331 CB CYS A 23 -6.381 0.418 10.213 1.00 0.00 C ATOM 332 SG CYS A 23 -7.203 -0.312 8.759 1.00 0.00 S ATOM 0 H CYS A 23 -5.173 0.288 12.355 1.00 0.00 H new ATOM 0 HA CYS A 23 -4.676 -0.847 9.870 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -6.854 0.033 11.116 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.541 1.496 10.204 1.00 0.00 H new ATOM 0 HG CYS A 23 -8.369 -0.772 9.105 1.00 0.00 H new ATOM 337 N PHE A 24 -4.342 1.160 8.150 1.00 0.00 N ATOM 338 CA PHE A 24 -3.679 2.096 7.250 1.00 0.00 C ATOM 339 C PHE A 24 -4.559 3.315 6.988 1.00 0.00 C ATOM 340 O PHE A 24 -4.068 4.378 6.608 1.00 0.00 O ATOM 341 CB PHE A 24 -3.335 1.408 5.928 1.00 0.00 C ATOM 342 CG PHE A 24 -2.501 2.256 5.010 1.00 0.00 C ATOM 343 CD1 PHE A 24 -3.070 3.303 4.304 1.00 0.00 C ATOM 344 CD2 PHE A 24 -1.147 2.005 4.853 1.00 0.00 C ATOM 345 CE1 PHE A 24 -2.306 4.086 3.459 1.00 0.00 C ATOM 346 CE2 PHE A 24 -0.377 2.784 4.010 1.00 0.00 C ATOM 347 CZ PHE A 24 -0.958 3.825 3.312 1.00 0.00 C ATOM 0 H PHE A 24 -4.977 0.509 7.688 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.758 2.431 7.728 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.801 0.481 6.138 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.259 1.135 5.418 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.124 3.510 4.415 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.688 1.192 5.396 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.762 4.900 2.915 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.677 2.579 3.897 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.358 4.434 2.652 1.00 0.00 H new ATOM 357 N ASP A 25 -5.861 3.152 7.194 1.00 0.00 N ATOM 358 CA ASP A 25 -6.811 4.238 6.981 1.00 0.00 C ATOM 359 C ASP A 25 -7.407 4.706 8.305 1.00 0.00 C ATOM 360 O ASP A 25 -7.166 5.831 8.745 1.00 0.00 O ATOM 361 CB ASP A 25 -7.926 3.791 6.035 1.00 0.00 C ATOM 362 CG ASP A 25 -7.443 2.790 5.004 1.00 0.00 C ATOM 363 OD1 ASP A 25 -6.245 2.831 4.652 1.00 0.00 O ATOM 364 OD2 ASP A 25 -8.263 1.965 4.549 1.00 0.00 O ATOM 0 H ASP A 25 -6.283 2.278 7.508 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.275 5.073 6.529 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -8.736 3.349 6.615 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.338 4.662 5.526 1.00 0.00 H new ATOM 369 N CYS A 26 -8.188 3.835 8.937 1.00 0.00 N ATOM 370 CA CYS A 26 -8.821 4.158 10.210 1.00 0.00 C ATOM 371 C CYS A 26 -7.853 3.941 11.369 1.00 0.00 C ATOM 372 O CYS A 26 -8.224 4.079 12.535 1.00 0.00 O ATOM 373 CB CYS A 26 -10.075 3.304 10.411 1.00 0.00 C ATOM 374 SG CYS A 26 -9.737 1.529 10.637 1.00 0.00 S ATOM 0 H CYS A 26 -8.397 2.900 8.588 1.00 0.00 H new ATOM 0 HA CYS A 26 -9.106 5.210 10.190 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -10.617 3.673 11.281 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -10.730 3.431 9.549 1.00 0.00 H new ATOM 0 HG CYS A 26 -8.862 1.138 9.758 1.00 0.00 H new ATOM 379 N ASP A 27 -6.612 3.600 11.040 1.00 0.00 N ATOM 380 CA ASP A 27 -5.590 3.365 12.053 1.00 0.00 C ATOM 381 C ASP A 27 -6.144 2.525 13.199 1.00 0.00 C ATOM 382 O ASP A 27 -5.669 2.613 14.331 1.00 0.00 O ATOM 383 CB ASP A 27 -5.058 4.695 12.590 1.00 0.00 C ATOM 384 CG ASP A 27 -4.121 5.380 11.615 1.00 0.00 C ATOM 385 OD1 ASP A 27 -4.476 5.483 10.422 1.00 0.00 O ATOM 386 OD2 ASP A 27 -3.032 5.814 12.045 1.00 0.00 O ATOM 0 H ASP A 27 -6.290 3.480 10.080 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.771 2.817 11.587 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.896 5.356 12.809 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.535 4.521 13.530 1.00 0.00 H new ATOM 391 N GLN A 28 -7.151 1.711 12.897 1.00 0.00 N ATOM 392 CA GLN A 28 -7.770 0.857 13.903 1.00 0.00 C ATOM 393 C GLN A 28 -6.765 -0.147 14.458 1.00 0.00 C ATOM 394 O GLN A 28 -6.374 -1.092 13.772 1.00 0.00 O ATOM 395 CB GLN A 28 -8.970 0.119 13.307 1.00 0.00 C ATOM 396 CG GLN A 28 -9.440 -1.057 14.148 1.00 0.00 C ATOM 397 CD GLN A 28 -10.674 -1.727 13.576 1.00 0.00 C ATOM 398 OE1 GLN A 28 -11.021 -1.526 12.412 1.00 0.00 O ATOM 399 NE2 GLN A 28 -11.346 -2.528 14.395 1.00 0.00 N ATOM 0 H GLN A 28 -7.555 1.625 11.964 1.00 0.00 H new ATOM 0 HA GLN A 28 -8.112 1.491 14.721 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.795 0.821 13.187 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.708 -0.239 12.311 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.636 -1.789 14.224 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -9.654 -0.713 15.160 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -11.023 -2.666 15.352 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.186 -3.005 14.066 1.00 0.00 H new ATOM 408 N ARG A 29 -6.350 0.064 15.702 1.00 0.00 N ATOM 409 CA ARG A 29 -5.389 -0.821 16.349 1.00 0.00 C ATOM 410 C ARG A 29 -5.873 -2.268 16.312 1.00 0.00 C ATOM 411 O ARG A 29 -6.490 -2.752 17.260 1.00 0.00 O ATOM 412 CB ARG A 29 -5.157 -0.387 17.797 1.00 0.00 C ATOM 413 CG ARG A 29 -6.378 0.240 18.448 1.00 0.00 C ATOM 414 CD ARG A 29 -6.356 0.064 19.959 1.00 0.00 C ATOM 415 NE ARG A 29 -5.408 0.970 20.601 1.00 0.00 N ATOM 416 CZ ARG A 29 -5.349 1.160 21.915 1.00 0.00 C ATOM 417 NH1 ARG A 29 -6.177 0.510 22.720 1.00 0.00 N ATOM 418 NH2 ARG A 29 -4.458 2.001 22.425 1.00 0.00 N ATOM 0 H ARG A 29 -6.665 0.841 16.283 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.448 -0.756 15.803 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.849 -1.253 18.382 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.334 0.327 17.826 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.416 1.302 18.205 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.282 -0.213 18.041 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.354 0.241 20.359 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.094 -0.966 20.200 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.756 1.485 20.009 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.862 -0.138 22.332 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.129 0.658 23.728 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.818 2.502 21.808 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.413 2.147 23.434 1.00 0.00 H new ATOM 432 N GLY A 30 -5.589 -2.954 15.208 1.00 0.00 N ATOM 433 CA GLY A 30 -6.003 -4.338 15.068 1.00 0.00 C ATOM 434 C GLY A 30 -6.475 -4.662 13.665 1.00 0.00 C ATOM 435 O GLY A 30 -7.651 -4.944 13.433 1.00 0.00 O ATOM 0 H GLY A 30 -5.080 -2.576 14.409 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.170 -4.991 15.328 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.805 -4.548 15.776 1.00 0.00 H new ATOM 439 N PRO A 31 -5.546 -4.622 12.699 1.00 0.00 N ATOM 440 CA PRO A 31 -5.851 -4.910 11.294 1.00 0.00 C ATOM 441 C PRO A 31 -6.171 -6.382 11.060 1.00 0.00 C ATOM 442 O PRO A 31 -5.464 -7.267 11.545 1.00 0.00 O ATOM 443 CB PRO A 31 -4.563 -4.520 10.564 1.00 0.00 C ATOM 444 CG PRO A 31 -3.491 -4.656 11.589 1.00 0.00 C ATOM 445 CD PRO A 31 -4.125 -4.292 12.903 1.00 0.00 C ATOM 0 HA PRO A 31 -6.733 -4.370 10.950 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.379 -5.172 9.710 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.618 -3.501 10.181 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.101 -5.673 11.613 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.652 -3.998 11.365 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.695 -4.860 13.728 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.987 -3.236 13.137 1.00 0.00 H new ATOM 453 N THR A 32 -7.240 -6.639 10.314 1.00 0.00 N ATOM 454 CA THR A 32 -7.654 -8.005 10.016 1.00 0.00 C ATOM 455 C THR A 32 -7.812 -8.217 8.515 1.00 0.00 C ATOM 456 O THR A 32 -8.464 -9.165 8.077 1.00 0.00 O ATOM 457 CB THR A 32 -8.982 -8.355 10.715 1.00 0.00 C ATOM 458 OG1 THR A 32 -9.434 -9.645 10.290 1.00 0.00 O ATOM 459 CG2 THR A 32 -10.046 -7.312 10.408 1.00 0.00 C ATOM 0 H THR A 32 -7.835 -5.919 9.905 1.00 0.00 H new ATOM 0 HA THR A 32 -6.870 -8.662 10.392 1.00 0.00 H new ATOM 0 HB THR A 32 -8.809 -8.368 11.791 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.571 -9.640 9.320 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.975 -7.580 10.912 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.711 -6.336 10.760 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.216 -7.271 9.332 1.00 0.00 H new ATOM 467 N TYR A 33 -7.210 -7.329 7.731 1.00 0.00 N ATOM 468 CA TYR A 33 -7.286 -7.419 6.277 1.00 0.00 C ATOM 469 C TYR A 33 -6.027 -6.849 5.630 1.00 0.00 C ATOM 470 O TYR A 33 -5.239 -6.160 6.279 1.00 0.00 O ATOM 471 CB TYR A 33 -8.519 -6.674 5.763 1.00 0.00 C ATOM 472 CG TYR A 33 -9.788 -7.494 5.818 1.00 0.00 C ATOM 473 CD1 TYR A 33 -10.397 -7.787 7.032 1.00 0.00 C ATOM 474 CD2 TYR A 33 -10.378 -7.977 4.656 1.00 0.00 C ATOM 475 CE1 TYR A 33 -11.557 -8.537 7.087 1.00 0.00 C ATOM 476 CE2 TYR A 33 -11.538 -8.725 4.702 1.00 0.00 C ATOM 477 CZ TYR A 33 -12.123 -9.003 5.919 1.00 0.00 C ATOM 478 OH TYR A 33 -13.278 -9.750 5.969 1.00 0.00 O ATOM 0 H TYR A 33 -6.665 -6.540 8.077 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.367 -8.472 6.007 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -8.657 -5.767 6.352 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -8.342 -6.362 4.734 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -9.957 -7.423 7.948 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -9.922 -7.764 3.701 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -12.017 -8.757 8.039 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -11.985 -9.090 3.789 1.00 0.00 H new ATOM 0 HH TYR A 33 -13.061 -10.697 5.843 1.00 0.00 H new ATOM 488 N VAL A 34 -5.846 -7.141 4.346 1.00 0.00 N ATOM 489 CA VAL A 34 -4.684 -6.657 3.609 1.00 0.00 C ATOM 490 C VAL A 34 -5.066 -6.247 2.191 1.00 0.00 C ATOM 491 O VAL A 34 -5.831 -6.936 1.519 1.00 0.00 O ATOM 492 CB VAL A 34 -3.577 -7.726 3.542 1.00 0.00 C ATOM 493 CG1 VAL A 34 -2.824 -7.798 4.862 1.00 0.00 C ATOM 494 CG2 VAL A 34 -4.166 -9.081 3.181 1.00 0.00 C ATOM 0 H VAL A 34 -6.488 -7.710 3.795 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.307 -5.787 4.147 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.870 -7.443 2.762 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.046 -8.558 4.796 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.369 -6.831 5.074 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.517 -8.057 5.663 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.370 -9.824 3.138 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.895 -9.374 3.936 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.656 -9.018 2.209 1.00 0.00 H new ATOM 504 N ASN A 35 -4.525 -5.119 1.742 1.00 0.00 N ATOM 505 CA ASN A 35 -4.809 -4.615 0.403 1.00 0.00 C ATOM 506 C ASN A 35 -3.768 -5.111 -0.596 1.00 0.00 C ATOM 507 O ASN A 35 -2.882 -4.362 -1.007 1.00 0.00 O ATOM 508 CB ASN A 35 -4.841 -3.086 0.407 1.00 0.00 C ATOM 509 CG ASN A 35 -5.718 -2.523 -0.695 1.00 0.00 C ATOM 510 OD1 ASN A 35 -6.305 -3.269 -1.478 1.00 0.00 O ATOM 511 ND2 ASN A 35 -5.810 -1.200 -0.759 1.00 0.00 N ATOM 0 H ASN A 35 -3.888 -4.537 2.285 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.786 -4.991 0.100 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.206 -2.735 1.373 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.827 -2.704 0.291 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.385 -0.763 -1.479 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.305 -0.621 -0.088 1.00 0.00 H new ATOM 518 N MET A 36 -3.882 -6.378 -0.982 1.00 0.00 N ATOM 519 CA MET A 36 -2.952 -6.973 -1.934 1.00 0.00 C ATOM 520 C MET A 36 -2.668 -6.016 -3.088 1.00 0.00 C ATOM 521 O MET A 36 -1.637 -6.117 -3.754 1.00 0.00 O ATOM 522 CB MET A 36 -3.515 -8.289 -2.475 1.00 0.00 C ATOM 523 CG MET A 36 -3.772 -9.328 -1.396 1.00 0.00 C ATOM 524 SD MET A 36 -2.392 -9.493 -0.247 1.00 0.00 S ATOM 525 CE MET A 36 -1.109 -10.094 -1.343 1.00 0.00 C ATOM 0 H MET A 36 -4.609 -7.012 -0.650 1.00 0.00 H new ATOM 0 HA MET A 36 -2.016 -7.173 -1.412 1.00 0.00 H new ATOM 0 HB2 MET A 36 -4.447 -8.087 -3.003 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.818 -8.700 -3.205 1.00 0.00 H new ATOM 0 HG2 MET A 36 -4.670 -9.056 -0.842 1.00 0.00 H new ATOM 0 HG3 MET A 36 -3.966 -10.293 -1.865 1.00 0.00 H new ATOM 0 HE1 MET A 36 -0.150 -10.077 -0.825 1.00 0.00 H new ATOM 0 HE2 MET A 36 -1.339 -11.115 -1.647 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.056 -9.456 -2.225 1.00 0.00 H new ATOM 535 N THR A 37 -3.590 -5.086 -3.320 1.00 0.00 N ATOM 536 CA THR A 37 -3.439 -4.112 -4.393 1.00 0.00 C ATOM 537 C THR A 37 -2.307 -3.135 -4.095 1.00 0.00 C ATOM 538 O THR A 37 -1.399 -2.955 -4.907 1.00 0.00 O ATOM 539 CB THR A 37 -4.740 -3.318 -4.619 1.00 0.00 C ATOM 540 OG1 THR A 37 -5.823 -4.218 -4.884 1.00 0.00 O ATOM 541 CG2 THR A 37 -4.587 -2.345 -5.778 1.00 0.00 C ATOM 0 H THR A 37 -4.449 -4.988 -2.779 1.00 0.00 H new ATOM 0 HA THR A 37 -3.202 -4.673 -5.297 1.00 0.00 H new ATOM 0 HB THR A 37 -4.954 -2.749 -3.714 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.394 -3.844 -5.587 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.518 -1.796 -5.918 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.782 -1.643 -5.560 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.351 -2.897 -6.688 1.00 0.00 H new ATOM 549 N VAL A 38 -2.367 -2.507 -2.925 1.00 0.00 N ATOM 550 CA VAL A 38 -1.345 -1.550 -2.519 1.00 0.00 C ATOM 551 C VAL A 38 -0.196 -2.245 -1.797 1.00 0.00 C ATOM 552 O VAL A 38 0.973 -1.998 -2.087 1.00 0.00 O ATOM 553 CB VAL A 38 -1.930 -0.461 -1.600 1.00 0.00 C ATOM 554 CG1 VAL A 38 -0.865 0.565 -1.242 1.00 0.00 C ATOM 555 CG2 VAL A 38 -3.126 0.208 -2.261 1.00 0.00 C ATOM 0 H VAL A 38 -3.112 -2.644 -2.242 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.969 -1.084 -3.430 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.270 -0.933 -0.678 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.297 1.326 -0.592 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.043 0.071 -0.725 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.491 1.034 -2.152 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.527 0.975 -1.598 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.814 0.667 -3.199 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.896 -0.538 -2.460 1.00 0.00 H new ATOM 565 N GLY A 39 -0.539 -3.118 -0.854 1.00 0.00 N ATOM 566 CA GLY A 39 0.476 -3.837 -0.105 1.00 0.00 C ATOM 567 C GLY A 39 0.505 -3.442 1.358 1.00 0.00 C ATOM 568 O GLY A 39 1.517 -3.619 2.035 1.00 0.00 O ATOM 0 H GLY A 39 -1.500 -3.340 -0.596 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.292 -4.908 -0.185 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.453 -3.647 -0.549 1.00 0.00 H new ATOM 572 N SER A 40 -0.608 -2.904 1.846 1.00 0.00 N ATOM 573 CA SER A 40 -0.705 -2.478 3.237 1.00 0.00 C ATOM 574 C SER A 40 -1.623 -3.405 4.028 1.00 0.00 C ATOM 575 O SER A 40 -2.244 -4.308 3.467 1.00 0.00 O ATOM 576 CB SER A 40 -1.222 -1.040 3.318 1.00 0.00 C ATOM 577 OG SER A 40 -2.635 -1.000 3.223 1.00 0.00 O ATOM 0 H SER A 40 -1.455 -2.753 1.299 1.00 0.00 H new ATOM 0 HA SER A 40 0.292 -2.524 3.674 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.905 -0.589 4.258 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.784 -0.447 2.516 1.00 0.00 H new ATOM 0 HG SER A 40 -2.940 -0.071 3.279 1.00 0.00 H new ATOM 583 N PHE A 41 -1.703 -3.175 5.334 1.00 0.00 N ATOM 584 CA PHE A 41 -2.544 -3.990 6.203 1.00 0.00 C ATOM 585 C PHE A 41 -3.747 -3.193 6.699 1.00 0.00 C ATOM 586 O PHE A 41 -3.637 -2.396 7.630 1.00 0.00 O ATOM 587 CB PHE A 41 -1.734 -4.506 7.395 1.00 0.00 C ATOM 588 CG PHE A 41 -0.842 -5.666 7.056 1.00 0.00 C ATOM 589 CD1 PHE A 41 -0.064 -5.648 5.910 1.00 0.00 C ATOM 590 CD2 PHE A 41 -0.784 -6.776 7.883 1.00 0.00 C ATOM 591 CE1 PHE A 41 0.758 -6.714 5.596 1.00 0.00 C ATOM 592 CE2 PHE A 41 0.036 -7.845 7.574 1.00 0.00 C ATOM 593 CZ PHE A 41 0.807 -7.814 6.428 1.00 0.00 C ATOM 0 H PHE A 41 -1.196 -2.431 5.814 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.906 -4.839 5.623 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.125 -3.693 7.790 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.420 -4.805 8.188 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.100 -4.791 5.254 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.386 -6.806 8.779 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.361 -6.686 4.701 1.00 0.00 H new ATOM 0 HE2 PHE A 41 0.074 -8.704 8.228 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.447 -8.649 6.184 1.00 0.00 H new ATOM 603 N VAL A 42 -4.896 -3.414 6.068 1.00 0.00 N ATOM 604 CA VAL A 42 -6.121 -2.718 6.444 1.00 0.00 C ATOM 605 C VAL A 42 -7.043 -3.625 7.251 1.00 0.00 C ATOM 606 O VAL A 42 -6.686 -4.756 7.581 1.00 0.00 O ATOM 607 CB VAL A 42 -6.878 -2.205 5.205 1.00 0.00 C ATOM 608 CG1 VAL A 42 -6.027 -1.208 4.434 1.00 0.00 C ATOM 609 CG2 VAL A 42 -7.291 -3.367 4.315 1.00 0.00 C ATOM 0 H VAL A 42 -5.004 -4.070 5.294 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.826 -1.867 7.058 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.781 -1.693 5.538 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.579 -0.857 3.562 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.787 -0.361 5.077 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.105 -1.691 4.110 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.825 -2.986 3.444 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.403 -3.909 3.988 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.941 -4.040 4.874 1.00 0.00 H new ATOM 619 N CYS A 43 -8.232 -3.122 7.565 1.00 0.00 N ATOM 620 CA CYS A 43 -9.208 -3.885 8.333 1.00 0.00 C ATOM 621 C CYS A 43 -10.459 -4.160 7.503 1.00 0.00 C ATOM 622 O CYS A 43 -10.537 -3.785 6.332 1.00 0.00 O ATOM 623 CB CYS A 43 -9.585 -3.133 9.610 1.00 0.00 C ATOM 624 SG CYS A 43 -10.727 -1.739 9.342 1.00 0.00 S ATOM 0 H CYS A 43 -8.543 -2.188 7.299 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.755 -4.839 8.602 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -10.041 -3.833 10.310 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -8.676 -2.759 10.080 1.00 0.00 H new ATOM 0 HG CYS A 43 -11.143 -1.292 10.490 1.00 0.00 H new ATOM 629 N THR A 44 -11.438 -4.817 8.117 1.00 0.00 N ATOM 630 CA THR A 44 -12.684 -5.143 7.437 1.00 0.00 C ATOM 631 C THR A 44 -13.433 -3.880 7.026 1.00 0.00 C ATOM 632 O THR A 44 -13.827 -3.729 5.869 1.00 0.00 O ATOM 633 CB THR A 44 -13.602 -6.003 8.326 1.00 0.00 C ATOM 634 OG1 THR A 44 -12.813 -6.819 9.200 1.00 0.00 O ATOM 635 CG2 THR A 44 -14.504 -6.887 7.478 1.00 0.00 C ATOM 0 H THR A 44 -11.391 -5.134 9.085 1.00 0.00 H new ATOM 0 HA THR A 44 -12.417 -5.711 6.546 1.00 0.00 H new ATOM 0 HB THR A 44 -14.227 -5.334 8.918 1.00 0.00 H new ATOM 0 HG1 THR A 44 -12.117 -7.274 8.682 1.00 0.00 H new ATOM 0 HG21 THR A 44 -15.143 -7.485 8.128 1.00 0.00 H new ATOM 0 HG22 THR A 44 -15.124 -6.263 6.834 1.00 0.00 H new ATOM 0 HG23 THR A 44 -13.892 -7.547 6.863 1.00 0.00 H new ATOM 643 N SER A 45 -13.626 -2.975 7.980 1.00 0.00 N ATOM 644 CA SER A 45 -14.330 -1.726 7.717 1.00 0.00 C ATOM 645 C SER A 45 -13.782 -1.046 6.466 1.00 0.00 C ATOM 646 O SER A 45 -14.539 -0.641 5.583 1.00 0.00 O ATOM 647 CB SER A 45 -14.209 -0.785 8.918 1.00 0.00 C ATOM 648 OG SER A 45 -15.276 0.147 8.945 1.00 0.00 O ATOM 0 H SER A 45 -13.305 -3.084 8.942 1.00 0.00 H new ATOM 0 HA SER A 45 -15.382 -1.959 7.551 1.00 0.00 H new ATOM 0 HB2 SER A 45 -14.206 -1.366 9.840 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.259 -0.253 8.873 1.00 0.00 H new ATOM 0 HG SER A 45 -15.177 0.735 9.722 1.00 0.00 H new ATOM 654 N CYS A 46 -12.461 -0.923 6.398 1.00 0.00 N ATOM 655 CA CYS A 46 -11.809 -0.292 5.257 1.00 0.00 C ATOM 656 C CYS A 46 -11.888 -1.186 4.023 1.00 0.00 C ATOM 657 O CYS A 46 -11.939 -0.699 2.893 1.00 0.00 O ATOM 658 CB CYS A 46 -10.346 0.015 5.584 1.00 0.00 C ATOM 659 SG CYS A 46 -10.122 1.144 6.997 1.00 0.00 S ATOM 0 H CYS A 46 -11.820 -1.252 7.120 1.00 0.00 H new ATOM 0 HA CYS A 46 -12.330 0.641 5.043 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -9.828 -0.921 5.794 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -9.872 0.452 4.705 1.00 0.00 H new ATOM 0 HG CYS A 46 -9.128 0.733 7.727 1.00 0.00 H new ATOM 664 N SER A 47 -11.897 -2.496 4.247 1.00 0.00 N ATOM 665 CA SER A 47 -11.966 -3.459 3.154 1.00 0.00 C ATOM 666 C SER A 47 -13.096 -3.107 2.191 1.00 0.00 C ATOM 667 O SER A 47 -12.987 -3.319 0.984 1.00 0.00 O ATOM 668 CB SER A 47 -12.170 -4.872 3.702 1.00 0.00 C ATOM 669 OG SER A 47 -13.548 -5.176 3.829 1.00 0.00 O ATOM 0 H SER A 47 -11.857 -2.915 5.176 1.00 0.00 H new ATOM 0 HA SER A 47 -11.022 -3.421 2.610 1.00 0.00 H new ATOM 0 HB2 SER A 47 -11.695 -5.595 3.039 1.00 0.00 H new ATOM 0 HB3 SER A 47 -11.683 -4.962 4.673 1.00 0.00 H new ATOM 0 HG SER A 47 -13.846 -4.968 4.739 1.00 0.00 H new ATOM 675 N GLY A 48 -14.183 -2.567 2.736 1.00 0.00 N ATOM 676 CA GLY A 48 -15.318 -2.195 1.912 1.00 0.00 C ATOM 677 C GLY A 48 -15.151 -0.827 1.279 1.00 0.00 C ATOM 678 O GLY A 48 -15.664 -0.574 0.189 1.00 0.00 O ATOM 0 H GLY A 48 -14.297 -2.381 3.732 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -15.454 -2.940 1.128 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -16.223 -2.203 2.520 1.00 0.00 H new ATOM 682 N SER A 49 -14.434 0.057 1.965 1.00 0.00 N ATOM 683 CA SER A 49 -14.205 1.408 1.465 1.00 0.00 C ATOM 684 C SER A 49 -13.164 1.406 0.350 1.00 0.00 C ATOM 685 O SER A 49 -13.116 2.322 -0.472 1.00 0.00 O ATOM 686 CB SER A 49 -13.750 2.324 2.602 1.00 0.00 C ATOM 687 OG SER A 49 -14.062 3.678 2.322 1.00 0.00 O ATOM 0 H SER A 49 -14.002 -0.138 2.868 1.00 0.00 H new ATOM 0 HA SER A 49 -15.145 1.783 1.059 1.00 0.00 H new ATOM 0 HB2 SER A 49 -14.232 2.021 3.532 1.00 0.00 H new ATOM 0 HB3 SER A 49 -12.675 2.218 2.750 1.00 0.00 H new ATOM 0 HG SER A 49 -13.762 4.243 3.065 1.00 0.00 H new ATOM 693 N LEU A 50 -12.332 0.371 0.328 1.00 0.00 N ATOM 694 CA LEU A 50 -11.290 0.248 -0.686 1.00 0.00 C ATOM 695 C LEU A 50 -11.823 -0.454 -1.931 1.00 0.00 C ATOM 696 O LEU A 50 -11.505 -0.068 -3.056 1.00 0.00 O ATOM 697 CB LEU A 50 -10.094 -0.523 -0.125 1.00 0.00 C ATOM 698 CG LEU A 50 -9.098 0.292 0.701 1.00 0.00 C ATOM 699 CD1 LEU A 50 -8.247 -0.624 1.567 1.00 0.00 C ATOM 700 CD2 LEU A 50 -8.218 1.138 -0.208 1.00 0.00 C ATOM 0 H LEU A 50 -12.358 -0.395 1.001 1.00 0.00 H new ATOM 0 HA LEU A 50 -10.969 1.251 -0.966 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.470 -1.336 0.495 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.558 -0.979 -0.958 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.658 0.960 1.355 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.544 -0.026 2.148 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.891 -1.186 2.244 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.695 -1.317 0.931 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.515 1.711 0.397 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.666 0.488 -0.888 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.841 1.821 -0.785 1.00 0.00 H new ATOM 712 N ARG A 51 -12.636 -1.483 -1.722 1.00 0.00 N ATOM 713 CA ARG A 51 -13.214 -2.238 -2.828 1.00 0.00 C ATOM 714 C ARG A 51 -14.370 -1.471 -3.464 1.00 0.00 C ATOM 715 O ARG A 51 -14.891 -1.865 -4.506 1.00 0.00 O ATOM 716 CB ARG A 51 -13.701 -3.604 -2.342 1.00 0.00 C ATOM 717 CG ARG A 51 -14.976 -3.538 -1.516 1.00 0.00 C ATOM 718 CD ARG A 51 -15.240 -4.849 -0.793 1.00 0.00 C ATOM 719 NE ARG A 51 -16.076 -5.750 -1.582 1.00 0.00 N ATOM 720 CZ ARG A 51 -16.529 -6.915 -1.132 1.00 0.00 C ATOM 721 NH1 ARG A 51 -16.227 -7.318 0.095 1.00 0.00 N ATOM 722 NH2 ARG A 51 -17.285 -7.680 -1.909 1.00 0.00 N ATOM 0 H ARG A 51 -12.910 -1.814 -0.797 1.00 0.00 H new ATOM 0 HA ARG A 51 -12.439 -2.383 -3.580 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -13.870 -4.248 -3.205 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -12.916 -4.069 -1.746 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -14.898 -2.730 -0.789 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -15.820 -3.303 -2.165 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -14.291 -5.337 -0.569 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -15.726 -4.645 0.161 1.00 0.00 H new ATOM 0 HE ARG A 51 -16.326 -5.469 -2.530 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -15.646 -6.733 0.695 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -16.576 -8.213 0.438 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -17.519 -7.374 -2.853 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -17.632 -8.574 -1.562 1.00 0.00 H new ATOM 736 N GLY A 52 -14.765 -0.371 -2.829 1.00 0.00 N ATOM 737 CA GLY A 52 -15.856 0.433 -3.347 1.00 0.00 C ATOM 738 C GLY A 52 -15.390 1.457 -4.363 1.00 0.00 C ATOM 739 O GLY A 52 -16.183 1.953 -5.164 1.00 0.00 O ATOM 0 H GLY A 52 -14.349 -0.023 -1.965 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -16.597 -0.220 -3.808 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -16.351 0.944 -2.521 1.00 0.00 H new ATOM 743 N LEU A 53 -14.101 1.776 -4.330 1.00 0.00 N ATOM 744 CA LEU A 53 -13.530 2.750 -5.255 1.00 0.00 C ATOM 745 C LEU A 53 -13.622 2.253 -6.694 1.00 0.00 C ATOM 746 O LEU A 53 -14.091 1.145 -6.949 1.00 0.00 O ATOM 747 CB LEU A 53 -12.070 3.031 -4.893 1.00 0.00 C ATOM 748 CG LEU A 53 -11.815 3.521 -3.467 1.00 0.00 C ATOM 749 CD1 LEU A 53 -10.324 3.536 -3.167 1.00 0.00 C ATOM 750 CD2 LEU A 53 -12.416 4.905 -3.263 1.00 0.00 C ATOM 0 H LEU A 53 -13.431 1.375 -3.673 1.00 0.00 H new ATOM 0 HA LEU A 53 -14.103 3.673 -5.172 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.495 2.118 -5.051 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -11.681 3.776 -5.587 1.00 0.00 H new ATOM 0 HG LEU A 53 -12.298 2.832 -2.774 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -10.161 3.887 -2.148 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.922 2.528 -3.272 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.819 4.203 -3.866 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -12.225 5.238 -2.243 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.962 5.606 -3.964 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -13.491 4.864 -3.436 1.00 0.00 H new ATOM 762 N ASN A 54 -13.168 3.080 -7.630 1.00 0.00 N ATOM 763 CA ASN A 54 -13.198 2.724 -9.044 1.00 0.00 C ATOM 764 C ASN A 54 -11.910 3.154 -9.741 1.00 0.00 C ATOM 765 O ASN A 54 -11.602 4.341 -9.851 1.00 0.00 O ATOM 766 CB ASN A 54 -14.403 3.371 -9.729 1.00 0.00 C ATOM 767 CG ASN A 54 -14.758 2.692 -11.038 1.00 0.00 C ATOM 768 OD1 ASN A 54 -14.010 2.769 -12.013 1.00 0.00 O ATOM 769 ND2 ASN A 54 -15.904 2.022 -11.064 1.00 0.00 N ATOM 0 H ASN A 54 -12.775 4.001 -7.435 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.286 1.640 -9.118 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -15.262 3.333 -9.059 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -14.190 4.424 -9.915 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -16.196 1.544 -11.916 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -16.492 1.985 -10.232 1.00 0.00 H new ATOM 776 N PRO A 55 -11.140 2.168 -10.223 1.00 0.00 N ATOM 777 CA PRO A 55 -11.496 0.752 -10.097 1.00 0.00 C ATOM 778 C PRO A 55 -11.401 0.256 -8.658 1.00 0.00 C ATOM 779 O PRO A 55 -10.678 0.812 -7.831 1.00 0.00 O ATOM 780 CB PRO A 55 -10.461 0.046 -10.975 1.00 0.00 C ATOM 781 CG PRO A 55 -9.292 0.969 -11.000 1.00 0.00 C ATOM 782 CD PRO A 55 -9.861 2.359 -10.928 1.00 0.00 C ATOM 0 HA PRO A 55 -12.527 0.563 -10.395 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -10.189 -0.926 -10.563 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -10.848 -0.130 -11.979 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.625 0.776 -10.160 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.707 0.833 -11.910 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.201 3.036 -10.386 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.009 2.785 -11.921 1.00 0.00 H new ATOM 790 N PRO A 56 -12.146 -0.816 -8.350 1.00 0.00 N ATOM 791 CA PRO A 56 -12.161 -1.411 -7.010 1.00 0.00 C ATOM 792 C PRO A 56 -10.846 -2.105 -6.669 1.00 0.00 C ATOM 793 O PRO A 56 -10.264 -2.798 -7.503 1.00 0.00 O ATOM 794 CB PRO A 56 -13.299 -2.431 -7.088 1.00 0.00 C ATOM 795 CG PRO A 56 -13.398 -2.779 -8.533 1.00 0.00 C ATOM 796 CD PRO A 56 -13.030 -1.530 -9.286 1.00 0.00 C ATOM 0 HA PRO A 56 -12.296 -0.660 -6.232 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -13.083 -3.311 -6.483 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.234 -2.010 -6.717 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.725 -3.599 -8.784 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.406 -3.105 -8.788 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -12.522 -1.760 -10.222 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -13.910 -0.939 -9.538 1.00 0.00 H new ATOM 804 N HIS A 57 -10.384 -1.914 -5.437 1.00 0.00 N ATOM 805 CA HIS A 57 -9.138 -2.523 -4.985 1.00 0.00 C ATOM 806 C HIS A 57 -9.365 -3.969 -4.553 1.00 0.00 C ATOM 807 O HIS A 57 -10.480 -4.484 -4.637 1.00 0.00 O ATOM 808 CB HIS A 57 -8.544 -1.720 -3.828 1.00 0.00 C ATOM 809 CG HIS A 57 -7.985 -0.394 -4.244 1.00 0.00 C ATOM 810 ND1 HIS A 57 -7.146 0.353 -3.445 1.00 0.00 N ATOM 811 CD2 HIS A 57 -8.147 0.317 -5.384 1.00 0.00 C ATOM 812 CE1 HIS A 57 -6.818 1.467 -4.074 1.00 0.00 C ATOM 813 NE2 HIS A 57 -7.412 1.469 -5.254 1.00 0.00 N ATOM 0 H HIS A 57 -10.854 -1.343 -4.734 1.00 0.00 H new ATOM 0 HA HIS A 57 -8.436 -2.518 -5.819 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -9.315 -1.560 -3.074 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -7.755 -2.306 -3.357 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -8.744 0.031 -6.238 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -6.174 2.244 -3.689 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -7.337 2.207 -5.955 1.00 0.00 H new ATOM 821 N ARG A 58 -8.301 -4.617 -4.092 1.00 0.00 N ATOM 822 CA ARG A 58 -8.384 -6.004 -3.649 1.00 0.00 C ATOM 823 C ARG A 58 -8.055 -6.120 -2.163 1.00 0.00 C ATOM 824 O ARG A 58 -7.018 -5.640 -1.707 1.00 0.00 O ATOM 825 CB ARG A 58 -7.431 -6.880 -4.463 1.00 0.00 C ATOM 826 CG ARG A 58 -7.879 -8.328 -4.575 1.00 0.00 C ATOM 827 CD ARG A 58 -6.904 -9.151 -5.403 1.00 0.00 C ATOM 828 NE ARG A 58 -6.854 -8.706 -6.793 1.00 0.00 N ATOM 829 CZ ARG A 58 -6.077 -7.717 -7.220 1.00 0.00 C ATOM 830 NH1 ARG A 58 -5.288 -7.075 -6.370 1.00 0.00 N ATOM 831 NH2 ARG A 58 -6.087 -7.370 -8.501 1.00 0.00 N ATOM 0 H ARG A 58 -7.371 -4.204 -4.015 1.00 0.00 H new ATOM 0 HA ARG A 58 -9.406 -6.349 -3.806 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -7.332 -6.461 -5.464 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.442 -6.849 -4.005 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -7.967 -8.761 -3.578 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -8.869 -8.370 -5.029 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.908 -9.082 -4.965 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.196 -10.201 -5.369 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.448 -9.180 -7.473 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.276 -7.340 -5.385 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.692 -6.316 -6.701 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.692 -7.863 -9.158 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.490 -6.610 -8.828 1.00 0.00 H new ATOM 845 N VAL A 59 -8.947 -6.761 -1.414 1.00 0.00 N ATOM 846 CA VAL A 59 -8.752 -6.941 0.020 1.00 0.00 C ATOM 847 C VAL A 59 -9.101 -8.362 0.447 1.00 0.00 C ATOM 848 O VAL A 59 -10.168 -8.878 0.115 1.00 0.00 O ATOM 849 CB VAL A 59 -9.605 -5.949 0.832 1.00 0.00 C ATOM 850 CG1 VAL A 59 -8.838 -4.657 1.071 1.00 0.00 C ATOM 851 CG2 VAL A 59 -10.921 -5.673 0.121 1.00 0.00 C ATOM 0 H VAL A 59 -9.811 -7.164 -1.776 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.698 -6.752 0.222 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.828 -6.396 1.801 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.456 -3.968 1.646 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.924 -4.873 1.625 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.583 -4.203 0.114 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -11.512 -4.970 0.709 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.721 -5.246 -0.862 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.475 -6.605 0.006 1.00 0.00 H new ATOM 861 N LYS A 60 -8.194 -8.991 1.187 1.00 0.00 N ATOM 862 CA LYS A 60 -8.405 -10.353 1.664 1.00 0.00 C ATOM 863 C LYS A 60 -8.184 -10.443 3.170 1.00 0.00 C ATOM 864 O LYS A 60 -7.206 -9.912 3.696 1.00 0.00 O ATOM 865 CB LYS A 60 -7.465 -11.320 0.940 1.00 0.00 C ATOM 866 CG LYS A 60 -8.050 -11.896 -0.338 1.00 0.00 C ATOM 867 CD LYS A 60 -6.961 -12.358 -1.291 1.00 0.00 C ATOM 868 CE LYS A 60 -6.519 -13.781 -0.984 1.00 0.00 C ATOM 869 NZ LYS A 60 -5.489 -14.262 -1.945 1.00 0.00 N ATOM 0 H LYS A 60 -7.305 -8.579 1.470 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.437 -10.631 1.450 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.536 -10.801 0.703 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.210 -12.138 1.614 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.702 -12.735 -0.095 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.668 -11.144 -0.828 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.326 -12.302 -2.317 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.105 -11.687 -1.220 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.120 -13.826 0.029 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.383 -14.444 -1.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -5.215 -15.235 -1.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.878 -14.243 -2.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.654 -13.644 -1.897 1.00 0.00 H new ATOM 883 N SER A 61 -9.098 -11.120 3.859 1.00 0.00 N ATOM 884 CA SER A 61 -9.003 -11.278 5.305 1.00 0.00 C ATOM 885 C SER A 61 -7.655 -11.874 5.699 1.00 0.00 C ATOM 886 O SER A 61 -7.075 -12.669 4.959 1.00 0.00 O ATOM 887 CB SER A 61 -10.136 -12.168 5.818 1.00 0.00 C ATOM 888 OG SER A 61 -11.402 -11.608 5.514 1.00 0.00 O ATOM 0 H SER A 61 -9.912 -11.568 3.439 1.00 0.00 H new ATOM 0 HA SER A 61 -9.092 -10.291 5.760 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.056 -13.158 5.370 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.041 -12.297 6.896 1.00 0.00 H new ATOM 0 HG SER A 61 -11.305 -10.645 5.361 1.00 0.00 H new ATOM 894 N ILE A 62 -7.163 -11.484 6.870 1.00 0.00 N ATOM 895 CA ILE A 62 -5.884 -11.980 7.364 1.00 0.00 C ATOM 896 C ILE A 62 -6.041 -13.349 8.019 1.00 0.00 C ATOM 897 O ILE A 62 -5.143 -14.188 7.950 1.00 0.00 O ATOM 898 CB ILE A 62 -5.257 -11.007 8.380 1.00 0.00 C ATOM 899 CG1 ILE A 62 -4.692 -9.780 7.661 1.00 0.00 C ATOM 900 CG2 ILE A 62 -4.169 -11.706 9.181 1.00 0.00 C ATOM 901 CD1 ILE A 62 -4.414 -8.614 8.584 1.00 0.00 C ATOM 0 H ILE A 62 -7.630 -10.826 7.494 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.224 -12.066 6.500 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.033 -10.676 9.070 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.769 -10.059 7.153 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.396 -9.464 6.891 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.736 -11.005 9.895 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.599 -12.552 9.718 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.392 -12.063 8.505 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.016 -7.780 8.007 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.339 -8.308 9.073 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.687 -8.913 9.339 1.00 0.00 H new ATOM 913 N SER A 63 -7.189 -13.568 8.652 1.00 0.00 N ATOM 914 CA SER A 63 -7.463 -14.834 9.321 1.00 0.00 C ATOM 915 C SER A 63 -8.407 -15.695 8.487 1.00 0.00 C ATOM 916 O SER A 63 -8.106 -16.850 8.184 1.00 0.00 O ATOM 917 CB SER A 63 -8.070 -14.584 10.703 1.00 0.00 C ATOM 918 OG SER A 63 -9.154 -13.675 10.627 1.00 0.00 O ATOM 0 H SER A 63 -7.944 -12.885 8.716 1.00 0.00 H new ATOM 0 HA SER A 63 -6.519 -15.367 9.438 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.411 -15.527 11.130 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.306 -14.189 11.373 1.00 0.00 H new ATOM 0 HG SER A 63 -9.526 -13.533 11.523 1.00 0.00 H new ATOM 924 N MET A 64 -9.549 -15.125 8.120 1.00 0.00 N ATOM 925 CA MET A 64 -10.537 -15.840 7.320 1.00 0.00 C ATOM 926 C MET A 64 -9.919 -16.352 6.023 1.00 0.00 C ATOM 927 O MET A 64 -10.168 -17.484 5.608 1.00 0.00 O ATOM 928 CB MET A 64 -11.727 -14.930 7.007 1.00 0.00 C ATOM 929 CG MET A 64 -13.015 -15.687 6.731 1.00 0.00 C ATOM 930 SD MET A 64 -13.847 -16.217 8.240 1.00 0.00 S ATOM 931 CE MET A 64 -15.292 -15.158 8.220 1.00 0.00 C ATOM 0 H MET A 64 -9.814 -14.170 8.363 1.00 0.00 H new ATOM 0 HA MET A 64 -10.885 -16.696 7.898 1.00 0.00 H new ATOM 0 HB2 MET A 64 -11.886 -14.252 7.846 1.00 0.00 H new ATOM 0 HB3 MET A 64 -11.485 -14.314 6.141 1.00 0.00 H new ATOM 0 HG2 MET A 64 -13.688 -15.053 6.154 1.00 0.00 H new ATOM 0 HG3 MET A 64 -12.794 -16.560 6.117 1.00 0.00 H new ATOM 0 HE1 MET A 64 -15.909 -15.368 9.094 1.00 0.00 H new ATOM 0 HE2 MET A 64 -14.978 -14.114 8.239 1.00 0.00 H new ATOM 0 HE3 MET A 64 -15.869 -15.347 7.315 1.00 0.00 H new ATOM 941 N THR A 65 -9.112 -15.510 5.385 1.00 0.00 N ATOM 942 CA THR A 65 -8.459 -15.877 4.134 1.00 0.00 C ATOM 943 C THR A 65 -6.965 -16.100 4.338 1.00 0.00 C ATOM 944 O THR A 65 -6.307 -15.351 5.061 1.00 0.00 O ATOM 945 CB THR A 65 -8.663 -14.795 3.056 1.00 0.00 C ATOM 946 OG1 THR A 65 -10.060 -14.614 2.801 1.00 0.00 O ATOM 947 CG2 THR A 65 -7.952 -15.177 1.766 1.00 0.00 C ATOM 0 H THR A 65 -8.895 -14.569 5.714 1.00 0.00 H new ATOM 0 HA THR A 65 -8.919 -16.806 3.798 1.00 0.00 H new ATOM 0 HB THR A 65 -8.238 -13.861 3.424 1.00 0.00 H new ATOM 0 HG1 THR A 65 -10.181 -13.924 2.116 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.110 -14.399 1.019 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.884 -15.285 1.957 1.00 0.00 H new ATOM 0 HG23 THR A 65 -8.352 -16.121 1.396 1.00 0.00 H new ATOM 955 N THR A 66 -6.433 -17.135 3.696 1.00 0.00 N ATOM 956 CA THR A 66 -5.016 -17.458 3.807 1.00 0.00 C ATOM 957 C THR A 66 -4.211 -16.790 2.698 1.00 0.00 C ATOM 958 O THR A 66 -4.749 -16.013 1.909 1.00 0.00 O ATOM 959 CB THR A 66 -4.780 -18.979 3.753 1.00 0.00 C ATOM 960 OG1 THR A 66 -5.059 -19.472 2.438 1.00 0.00 O ATOM 961 CG2 THR A 66 -5.657 -19.699 4.766 1.00 0.00 C ATOM 0 H THR A 66 -6.963 -17.765 3.093 1.00 0.00 H new ATOM 0 HA THR A 66 -4.681 -17.080 4.773 1.00 0.00 H new ATOM 0 HB THR A 66 -3.736 -19.171 3.999 1.00 0.00 H new ATOM 0 HG1 THR A 66 -4.905 -20.439 2.412 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.473 -20.772 4.709 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.422 -19.343 5.769 1.00 0.00 H new ATOM 0 HG23 THR A 66 -6.706 -19.499 4.547 1.00 0.00 H new ATOM 969 N PHE A 67 -2.920 -17.099 2.642 1.00 0.00 N ATOM 970 CA PHE A 67 -2.041 -16.529 1.628 1.00 0.00 C ATOM 971 C PHE A 67 -1.003 -17.550 1.171 1.00 0.00 C ATOM 972 O PHE A 67 -1.014 -18.702 1.606 1.00 0.00 O ATOM 973 CB PHE A 67 -1.341 -15.282 2.173 1.00 0.00 C ATOM 974 CG PHE A 67 -2.290 -14.194 2.587 1.00 0.00 C ATOM 975 CD1 PHE A 67 -2.876 -13.371 1.639 1.00 0.00 C ATOM 976 CD2 PHE A 67 -2.596 -13.995 3.923 1.00 0.00 C ATOM 977 CE1 PHE A 67 -3.749 -12.368 2.017 1.00 0.00 C ATOM 978 CE2 PHE A 67 -3.469 -12.994 4.307 1.00 0.00 C ATOM 979 CZ PHE A 67 -4.047 -12.181 3.352 1.00 0.00 C ATOM 0 H PHE A 67 -2.459 -17.741 3.287 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.651 -16.249 0.769 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -0.729 -15.564 3.029 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.665 -14.893 1.412 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.648 -13.515 0.593 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.148 -14.629 4.674 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.197 -11.731 1.269 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.699 -12.848 5.352 1.00 0.00 H new ATOM 0 HZ PHE A 67 -4.731 -11.400 3.649 1.00 0.00 H new ATOM 989 N THR A 68 -0.106 -17.119 0.290 1.00 0.00 N ATOM 990 CA THR A 68 0.938 -17.995 -0.229 1.00 0.00 C ATOM 991 C THR A 68 2.305 -17.325 -0.151 1.00 0.00 C ATOM 992 O THR A 68 2.415 -16.104 -0.259 1.00 0.00 O ATOM 993 CB THR A 68 0.658 -18.399 -1.688 1.00 0.00 C ATOM 994 OG1 THR A 68 1.787 -19.096 -2.228 1.00 0.00 O ATOM 995 CG2 THR A 68 0.357 -17.175 -2.541 1.00 0.00 C ATOM 0 H THR A 68 -0.081 -16.169 -0.079 1.00 0.00 H new ATOM 0 HA THR A 68 0.939 -18.890 0.393 1.00 0.00 H new ATOM 0 HB THR A 68 -0.213 -19.054 -1.700 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.601 -19.351 -3.156 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.163 -17.486 -3.567 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.519 -16.662 -2.145 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.212 -16.499 -2.522 1.00 0.00 H new ATOM 1003 N GLN A 69 3.344 -18.133 0.034 1.00 0.00 N ATOM 1004 CA GLN A 69 4.705 -17.617 0.126 1.00 0.00 C ATOM 1005 C GLN A 69 4.907 -16.441 -0.825 1.00 0.00 C ATOM 1006 O GLN A 69 5.297 -15.352 -0.405 1.00 0.00 O ATOM 1007 CB GLN A 69 5.714 -18.722 -0.190 1.00 0.00 C ATOM 1008 CG GLN A 69 7.041 -18.561 0.535 1.00 0.00 C ATOM 1009 CD GLN A 69 7.936 -17.522 -0.111 1.00 0.00 C ATOM 1010 OE1 GLN A 69 7.954 -17.375 -1.334 1.00 0.00 O ATOM 1011 NE2 GLN A 69 8.687 -16.795 0.708 1.00 0.00 N ATOM 0 H GLN A 69 3.270 -19.146 0.123 1.00 0.00 H new ATOM 0 HA GLN A 69 4.866 -17.268 1.146 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.279 -19.686 0.075 1.00 0.00 H new ATOM 0 HB3 GLN A 69 5.896 -18.739 -1.264 1.00 0.00 H new ATOM 0 HG2 GLN A 69 6.853 -18.279 1.571 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.559 -19.520 0.554 1.00 0.00 H new ATOM 0 HE21 GLN A 69 8.641 -16.950 1.715 1.00 0.00 H new ATOM 0 HE22 GLN A 69 9.310 -16.081 0.330 1.00 0.00 H new ATOM 1020 N GLN A 70 4.638 -16.670 -2.106 1.00 0.00 N ATOM 1021 CA GLN A 70 4.792 -15.629 -3.116 1.00 0.00 C ATOM 1022 C GLN A 70 4.178 -14.316 -2.641 1.00 0.00 C ATOM 1023 O GLN A 70 4.864 -13.298 -2.549 1.00 0.00 O ATOM 1024 CB GLN A 70 4.141 -16.064 -4.430 1.00 0.00 C ATOM 1025 CG GLN A 70 4.678 -17.381 -4.968 1.00 0.00 C ATOM 1026 CD GLN A 70 6.134 -17.292 -5.382 1.00 0.00 C ATOM 1027 OE1 GLN A 70 6.743 -16.223 -5.324 1.00 0.00 O ATOM 1028 NE2 GLN A 70 6.700 -18.417 -5.802 1.00 0.00 N ATOM 0 H GLN A 70 4.313 -17.566 -2.469 1.00 0.00 H new ATOM 0 HA GLN A 70 5.858 -15.472 -3.281 1.00 0.00 H new ATOM 0 HB2 GLN A 70 3.065 -16.154 -4.281 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.295 -15.286 -5.177 1.00 0.00 H new ATOM 0 HG2 GLN A 70 4.567 -18.153 -4.206 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.079 -17.691 -5.824 1.00 0.00 H new ATOM 0 HE21 GLN A 70 6.157 -19.280 -5.834 1.00 0.00 H new ATOM 0 HE22 GLN A 70 7.678 -18.418 -6.093 1.00 0.00 H new ATOM 1037 N GLU A 71 2.883 -14.347 -2.342 1.00 0.00 N ATOM 1038 CA GLU A 71 2.178 -13.158 -1.878 1.00 0.00 C ATOM 1039 C GLU A 71 2.798 -12.626 -0.589 1.00 0.00 C ATOM 1040 O GLU A 71 3.217 -11.471 -0.520 1.00 0.00 O ATOM 1041 CB GLU A 71 0.697 -13.471 -1.654 1.00 0.00 C ATOM 1042 CG GLU A 71 -0.081 -13.683 -2.941 1.00 0.00 C ATOM 1043 CD GLU A 71 -0.057 -12.466 -3.846 1.00 0.00 C ATOM 1044 OE1 GLU A 71 -0.948 -11.603 -3.701 1.00 0.00 O ATOM 1045 OE2 GLU A 71 0.851 -12.377 -4.697 1.00 0.00 O ATOM 0 H GLU A 71 2.301 -15.182 -2.413 1.00 0.00 H new ATOM 0 HA GLU A 71 2.267 -12.391 -2.647 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.613 -14.365 -1.037 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.242 -12.654 -1.095 1.00 0.00 H new ATOM 0 HG2 GLU A 71 0.335 -14.537 -3.476 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.115 -13.931 -2.699 1.00 0.00 H new ATOM 1052 N ILE A 72 2.851 -13.478 0.430 1.00 0.00 N ATOM 1053 CA ILE A 72 3.419 -13.094 1.716 1.00 0.00 C ATOM 1054 C ILE A 72 4.621 -12.173 1.534 1.00 0.00 C ATOM 1055 O ILE A 72 4.653 -11.066 2.071 1.00 0.00 O ATOM 1056 CB ILE A 72 3.852 -14.328 2.531 1.00 0.00 C ATOM 1057 CG1 ILE A 72 2.639 -15.203 2.854 1.00 0.00 C ATOM 1058 CG2 ILE A 72 4.557 -13.898 3.808 1.00 0.00 C ATOM 1059 CD1 ILE A 72 1.862 -14.736 4.064 1.00 0.00 C ATOM 0 H ILE A 72 2.508 -14.438 0.390 1.00 0.00 H new ATOM 0 HA ILE A 72 2.637 -12.564 2.260 1.00 0.00 H new ATOM 0 HB ILE A 72 4.551 -14.914 1.934 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.974 -15.221 1.990 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.974 -16.227 3.020 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.857 -14.781 4.373 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.440 -13.311 3.556 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.880 -13.294 4.412 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.017 -15.403 4.233 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.512 -14.744 4.939 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.497 -13.723 3.893 1.00 0.00 H new ATOM 1071 N GLU A 73 5.606 -12.637 0.771 1.00 0.00 N ATOM 1072 CA GLU A 73 6.809 -11.854 0.517 1.00 0.00 C ATOM 1073 C GLU A 73 6.457 -10.494 -0.080 1.00 0.00 C ATOM 1074 O GLU A 73 6.831 -9.452 0.458 1.00 0.00 O ATOM 1075 CB GLU A 73 7.747 -12.610 -0.426 1.00 0.00 C ATOM 1076 CG GLU A 73 8.605 -13.650 0.273 1.00 0.00 C ATOM 1077 CD GLU A 73 9.869 -13.060 0.867 1.00 0.00 C ATOM 1078 OE1 GLU A 73 10.274 -11.962 0.432 1.00 0.00 O ATOM 1079 OE2 GLU A 73 10.454 -13.697 1.768 1.00 0.00 O ATOM 0 H GLU A 73 5.594 -13.551 0.318 1.00 0.00 H new ATOM 0 HA GLU A 73 7.315 -11.694 1.469 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.154 -13.100 -1.198 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.397 -11.894 -0.929 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.023 -14.124 1.064 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.873 -14.432 -0.438 1.00 0.00 H new ATOM 1086 N PHE A 74 5.735 -10.513 -1.196 1.00 0.00 N ATOM 1087 CA PHE A 74 5.333 -9.283 -1.867 1.00 0.00 C ATOM 1088 C PHE A 74 4.815 -8.259 -0.862 1.00 0.00 C ATOM 1089 O PHE A 74 4.940 -7.051 -1.068 1.00 0.00 O ATOM 1090 CB PHE A 74 4.256 -9.577 -2.914 1.00 0.00 C ATOM 1091 CG PHE A 74 3.461 -8.366 -3.311 1.00 0.00 C ATOM 1092 CD1 PHE A 74 2.463 -7.875 -2.485 1.00 0.00 C ATOM 1093 CD2 PHE A 74 3.711 -7.720 -4.511 1.00 0.00 C ATOM 1094 CE1 PHE A 74 1.729 -6.762 -2.849 1.00 0.00 C ATOM 1095 CE2 PHE A 74 2.981 -6.606 -4.880 1.00 0.00 C ATOM 1096 CZ PHE A 74 1.989 -6.126 -4.047 1.00 0.00 C ATOM 0 H PHE A 74 5.417 -11.367 -1.654 1.00 0.00 H new ATOM 0 HA PHE A 74 6.209 -8.867 -2.364 1.00 0.00 H new ATOM 0 HB2 PHE A 74 4.728 -9.999 -3.801 1.00 0.00 H new ATOM 0 HB3 PHE A 74 3.578 -10.335 -2.523 1.00 0.00 H new ATOM 0 HD1 PHE A 74 2.256 -8.367 -1.546 1.00 0.00 H new ATOM 0 HD2 PHE A 74 4.485 -8.091 -5.166 1.00 0.00 H new ATOM 0 HE1 PHE A 74 0.953 -6.390 -2.197 1.00 0.00 H new ATOM 0 HE2 PHE A 74 3.186 -6.112 -5.818 1.00 0.00 H new ATOM 0 HZ PHE A 74 1.418 -5.255 -4.332 1.00 0.00 H new ATOM 1106 N LEU A 75 4.233 -8.749 0.226 1.00 0.00 N ATOM 1107 CA LEU A 75 3.695 -7.878 1.265 1.00 0.00 C ATOM 1108 C LEU A 75 4.780 -7.484 2.262 1.00 0.00 C ATOM 1109 O LEU A 75 4.731 -6.406 2.853 1.00 0.00 O ATOM 1110 CB LEU A 75 2.543 -8.571 1.995 1.00 0.00 C ATOM 1111 CG LEU A 75 1.204 -8.603 1.257 1.00 0.00 C ATOM 1112 CD1 LEU A 75 0.282 -9.647 1.869 1.00 0.00 C ATOM 1113 CD2 LEU A 75 0.548 -7.230 1.283 1.00 0.00 C ATOM 0 H LEU A 75 4.121 -9.746 0.412 1.00 0.00 H new ATOM 0 HA LEU A 75 3.321 -6.973 0.787 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.841 -9.597 2.211 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.395 -8.074 2.954 1.00 0.00 H new ATOM 0 HG LEU A 75 1.390 -8.876 0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.666 -9.655 1.331 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.748 -10.630 1.799 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.103 -9.405 2.916 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.404 -7.271 0.753 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.375 -6.929 2.316 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.202 -6.505 0.798 1.00 0.00 H new ATOM 1125 N GLN A 76 5.758 -8.366 2.442 1.00 0.00 N ATOM 1126 CA GLN A 76 6.856 -8.109 3.367 1.00 0.00 C ATOM 1127 C GLN A 76 7.844 -7.109 2.775 1.00 0.00 C ATOM 1128 O GLN A 76 8.381 -6.257 3.483 1.00 0.00 O ATOM 1129 CB GLN A 76 7.577 -9.414 3.710 1.00 0.00 C ATOM 1130 CG GLN A 76 6.810 -10.295 4.682 1.00 0.00 C ATOM 1131 CD GLN A 76 7.705 -11.281 5.407 1.00 0.00 C ATOM 1132 OE1 GLN A 76 8.881 -11.008 5.649 1.00 0.00 O ATOM 1133 NE2 GLN A 76 7.151 -12.436 5.759 1.00 0.00 N ATOM 0 H GLN A 76 5.813 -9.263 1.960 1.00 0.00 H new ATOM 0 HA GLN A 76 6.438 -7.682 4.279 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.757 -9.972 2.791 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.552 -9.179 4.137 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.302 -9.666 5.413 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.038 -10.841 4.140 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.172 -12.620 5.538 1.00 0.00 H new ATOM 0 HE22 GLN A 76 7.704 -13.138 6.250 1.00 0.00 H new ATOM 1142 N LYS A 77 8.080 -7.219 1.472 1.00 0.00 N ATOM 1143 CA LYS A 77 9.002 -6.324 0.783 1.00 0.00 C ATOM 1144 C LYS A 77 8.430 -4.913 0.697 1.00 0.00 C ATOM 1145 O LYS A 77 9.137 -3.965 0.353 1.00 0.00 O ATOM 1146 CB LYS A 77 9.302 -6.851 -0.622 1.00 0.00 C ATOM 1147 CG LYS A 77 8.123 -6.746 -1.575 1.00 0.00 C ATOM 1148 CD LYS A 77 8.582 -6.598 -3.016 1.00 0.00 C ATOM 1149 CE LYS A 77 7.578 -7.202 -3.985 1.00 0.00 C ATOM 1150 NZ LYS A 77 7.864 -8.638 -4.257 1.00 0.00 N ATOM 0 H LYS A 77 7.645 -7.920 0.872 1.00 0.00 H new ATOM 0 HA LYS A 77 9.928 -6.286 1.356 1.00 0.00 H new ATOM 0 HB2 LYS A 77 10.144 -6.297 -1.037 1.00 0.00 H new ATOM 0 HB3 LYS A 77 9.610 -7.894 -0.552 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.498 -7.634 -1.481 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.506 -5.891 -1.299 1.00 0.00 H new ATOM 0 HD2 LYS A 77 8.723 -5.542 -3.248 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.549 -7.084 -3.143 1.00 0.00 H new ATOM 0 HE2 LYS A 77 6.573 -7.103 -3.575 1.00 0.00 H new ATOM 0 HE3 LYS A 77 7.596 -6.644 -4.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 7.018 -9.090 -4.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.652 -8.713 -4.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.122 -9.115 -3.369 1.00 0.00 H new ATOM 1164 N HIS A 78 7.145 -4.780 1.014 1.00 0.00 N ATOM 1165 CA HIS A 78 6.479 -3.483 0.975 1.00 0.00 C ATOM 1166 C HIS A 78 6.099 -3.025 2.380 1.00 0.00 C ATOM 1167 O HIS A 78 6.744 -2.147 2.952 1.00 0.00 O ATOM 1168 CB HIS A 78 5.231 -3.554 0.094 1.00 0.00 C ATOM 1169 CG HIS A 78 5.508 -3.316 -1.358 1.00 0.00 C ATOM 1170 ND1 HIS A 78 5.767 -4.334 -2.252 1.00 0.00 N ATOM 1171 CD2 HIS A 78 5.565 -2.168 -2.072 1.00 0.00 C ATOM 1172 CE1 HIS A 78 5.972 -3.822 -3.452 1.00 0.00 C ATOM 1173 NE2 HIS A 78 5.855 -2.509 -3.370 1.00 0.00 N ATOM 0 H HIS A 78 6.545 -5.554 1.300 1.00 0.00 H new ATOM 0 HA HIS A 78 7.173 -2.758 0.551 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.769 -4.534 0.211 1.00 0.00 H new ATOM 0 HB3 HIS A 78 4.508 -2.817 0.443 1.00 0.00 H new ATOM 0 HD2 HIS A 78 5.411 -1.169 -1.692 1.00 0.00 H new ATOM 0 HE1 HIS A 78 6.197 -4.382 -4.348 1.00 0.00 H new ATOM 0 HE2 HIS A 78 5.963 -1.855 -4.145 1.00 0.00 H new ATOM 1181 N GLY A 79 5.047 -3.625 2.929 1.00 0.00 N ATOM 1182 CA GLY A 79 4.600 -3.264 4.261 1.00 0.00 C ATOM 1183 C GLY A 79 4.284 -1.787 4.387 1.00 0.00 C ATOM 1184 O GLY A 79 4.763 -0.974 3.598 1.00 0.00 O ATOM 0 H GLY A 79 4.497 -4.354 2.475 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.713 -3.845 4.513 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.371 -3.530 4.984 1.00 0.00 H new ATOM 1188 N ASN A 80 3.474 -1.438 5.382 1.00 0.00 N ATOM 1189 CA ASN A 80 3.094 -0.049 5.606 1.00 0.00 C ATOM 1190 C ASN A 80 4.319 0.810 5.902 1.00 0.00 C ATOM 1191 O ASN A 80 4.247 2.038 5.883 1.00 0.00 O ATOM 1192 CB ASN A 80 2.098 0.048 6.764 1.00 0.00 C ATOM 1193 CG ASN A 80 0.904 -0.869 6.578 1.00 0.00 C ATOM 1194 OD1 ASN A 80 0.817 -1.601 5.591 1.00 0.00 O ATOM 1195 ND2 ASN A 80 -0.023 -0.834 7.528 1.00 0.00 N ATOM 0 H ASN A 80 3.069 -2.098 6.045 1.00 0.00 H new ATOM 0 HA ASN A 80 2.623 0.324 4.697 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.604 -0.203 7.696 1.00 0.00 H new ATOM 0 HB3 ASN A 80 1.751 1.077 6.856 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -0.848 -1.429 7.457 1.00 0.00 H new ATOM 0 HD22 ASN A 80 0.090 -0.212 8.328 1.00 0.00 H new ATOM 1202 N GLU A 81 5.443 0.154 6.175 1.00 0.00 N ATOM 1203 CA GLU A 81 6.684 0.858 6.475 1.00 0.00 C ATOM 1204 C GLU A 81 7.048 1.823 5.350 1.00 0.00 C ATOM 1205 O GLU A 81 7.139 3.033 5.559 1.00 0.00 O ATOM 1206 CB GLU A 81 7.823 -0.140 6.694 1.00 0.00 C ATOM 1207 CG GLU A 81 9.160 0.518 6.991 1.00 0.00 C ATOM 1208 CD GLU A 81 10.338 -0.376 6.651 1.00 0.00 C ATOM 1209 OE1 GLU A 81 10.688 -1.238 7.483 1.00 0.00 O ATOM 1210 OE2 GLU A 81 10.908 -0.212 5.552 1.00 0.00 O ATOM 0 H GLU A 81 5.519 -0.863 6.194 1.00 0.00 H new ATOM 0 HA GLU A 81 6.533 1.433 7.389 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.562 -0.801 7.520 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.924 -0.764 5.806 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.238 1.446 6.425 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.203 0.784 8.047 1.00 0.00 H new ATOM 1217 N VAL A 82 7.256 1.278 4.155 1.00 0.00 N ATOM 1218 CA VAL A 82 7.609 2.089 2.996 1.00 0.00 C ATOM 1219 C VAL A 82 6.368 2.489 2.206 1.00 0.00 C ATOM 1220 O VAL A 82 6.318 3.568 1.615 1.00 0.00 O ATOM 1221 CB VAL A 82 8.580 1.341 2.063 1.00 0.00 C ATOM 1222 CG1 VAL A 82 9.882 1.030 2.784 1.00 0.00 C ATOM 1223 CG2 VAL A 82 7.936 0.067 1.536 1.00 0.00 C ATOM 0 H VAL A 82 7.186 0.278 3.965 1.00 0.00 H new ATOM 0 HA VAL A 82 8.099 2.986 3.375 1.00 0.00 H new ATOM 0 HB VAL A 82 8.808 1.985 1.214 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.555 0.502 2.109 1.00 0.00 H new ATOM 0 HG12 VAL A 82 10.350 1.960 3.108 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.676 0.405 3.653 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.636 -0.449 0.878 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.677 -0.583 2.372 1.00 0.00 H new ATOM 0 HG23 VAL A 82 7.033 0.319 0.979 1.00 0.00 H new ATOM 1233 N CYS A 83 5.370 1.613 2.201 1.00 0.00 N ATOM 1234 CA CYS A 83 4.127 1.875 1.483 1.00 0.00 C ATOM 1235 C CYS A 83 3.572 3.250 1.840 1.00 0.00 C ATOM 1236 O CYS A 83 3.554 4.159 1.009 1.00 0.00 O ATOM 1237 CB CYS A 83 3.092 0.795 1.803 1.00 0.00 C ATOM 1238 SG CYS A 83 3.137 -0.625 0.684 1.00 0.00 S ATOM 0 H CYS A 83 5.397 0.716 2.685 1.00 0.00 H new ATOM 0 HA CYS A 83 4.342 1.857 0.415 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.251 0.445 2.823 1.00 0.00 H new ATOM 0 HB3 CYS A 83 2.097 1.239 1.770 1.00 0.00 H new ATOM 0 HG CYS A 83 4.349 -0.794 0.245 1.00 0.00 H new ATOM 1244 N LYS A 84 3.118 3.396 3.080 1.00 0.00 N ATOM 1245 CA LYS A 84 2.562 4.660 3.548 1.00 0.00 C ATOM 1246 C LYS A 84 3.354 5.841 2.996 1.00 0.00 C ATOM 1247 O LYS A 84 2.824 6.654 2.239 1.00 0.00 O ATOM 1248 CB LYS A 84 2.560 4.704 5.078 1.00 0.00 C ATOM 1249 CG LYS A 84 1.720 5.831 5.652 1.00 0.00 C ATOM 1250 CD LYS A 84 1.131 5.456 7.002 1.00 0.00 C ATOM 1251 CE LYS A 84 0.026 4.421 6.860 1.00 0.00 C ATOM 1252 NZ LYS A 84 0.553 3.031 6.943 1.00 0.00 N ATOM 0 H LYS A 84 3.124 2.654 3.780 1.00 0.00 H new ATOM 0 HA LYS A 84 1.536 4.733 3.187 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.188 3.753 5.460 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.586 4.810 5.432 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.333 6.726 5.758 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.916 6.076 4.958 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.917 5.064 7.647 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.735 6.348 7.488 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.718 4.574 7.642 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.481 4.560 5.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.443 2.562 6.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.560 3.056 7.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.024 2.502 7.665 1.00 0.00 H new ATOM 1266 N GLN A 85 4.624 5.926 3.378 1.00 0.00 N ATOM 1267 CA GLN A 85 5.488 7.008 2.920 1.00 0.00 C ATOM 1268 C GLN A 85 5.314 7.246 1.424 1.00 0.00 C ATOM 1269 O GLN A 85 5.112 8.379 0.985 1.00 0.00 O ATOM 1270 CB GLN A 85 6.951 6.687 3.231 1.00 0.00 C ATOM 1271 CG GLN A 85 7.383 7.111 4.625 1.00 0.00 C ATOM 1272 CD GLN A 85 8.806 6.697 4.945 1.00 0.00 C ATOM 1273 OE1 GLN A 85 9.683 7.541 5.132 1.00 0.00 O ATOM 1274 NE2 GLN A 85 9.043 5.392 5.011 1.00 0.00 N ATOM 0 H GLN A 85 5.077 5.259 4.003 1.00 0.00 H new ATOM 0 HA GLN A 85 5.203 7.917 3.450 1.00 0.00 H new ATOM 0 HB2 GLN A 85 7.110 5.614 3.121 1.00 0.00 H new ATOM 0 HB3 GLN A 85 7.587 7.181 2.496 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.294 8.194 4.715 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.707 6.673 5.360 1.00 0.00 H new ATOM 0 HE21 GLN A 85 8.286 4.727 4.849 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.982 5.054 5.224 1.00 0.00 H new ATOM 1283 N ILE A 86 5.394 6.173 0.645 1.00 0.00 N ATOM 1284 CA ILE A 86 5.244 6.266 -0.802 1.00 0.00 C ATOM 1285 C ILE A 86 3.965 7.006 -1.176 1.00 0.00 C ATOM 1286 O ILE A 86 3.934 7.762 -2.147 1.00 0.00 O ATOM 1287 CB ILE A 86 5.228 4.872 -1.457 1.00 0.00 C ATOM 1288 CG1 ILE A 86 6.590 4.193 -1.295 1.00 0.00 C ATOM 1289 CG2 ILE A 86 4.857 4.983 -2.928 1.00 0.00 C ATOM 1290 CD1 ILE A 86 6.539 2.690 -1.460 1.00 0.00 C ATOM 0 H ILE A 86 5.562 5.229 0.992 1.00 0.00 H new ATOM 0 HA ILE A 86 6.104 6.823 -1.173 1.00 0.00 H new ATOM 0 HB ILE A 86 4.476 4.260 -0.958 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.283 4.608 -2.027 1.00 0.00 H new ATOM 0 HG13 ILE A 86 6.990 4.429 -0.309 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.850 3.990 -3.377 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.867 5.430 -3.021 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.588 5.608 -3.441 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.539 2.276 -1.332 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.871 2.264 -0.711 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.170 2.446 -2.456 1.00 0.00 H new ATOM 1302 N TRP A 87 2.911 6.784 -0.398 1.00 0.00 N ATOM 1303 CA TRP A 87 1.628 7.432 -0.647 1.00 0.00 C ATOM 1304 C TRP A 87 1.575 8.806 0.012 1.00 0.00 C ATOM 1305 O TRP A 87 0.699 9.617 -0.291 1.00 0.00 O ATOM 1306 CB TRP A 87 0.484 6.559 -0.128 1.00 0.00 C ATOM 1307 CG TRP A 87 0.393 5.230 -0.814 1.00 0.00 C ATOM 1308 CD1 TRP A 87 0.894 4.041 -0.367 1.00 0.00 C ATOM 1309 CD2 TRP A 87 -0.236 4.955 -2.070 1.00 0.00 C ATOM 1310 NE1 TRP A 87 0.615 3.043 -1.270 1.00 0.00 N ATOM 1311 CE2 TRP A 87 -0.078 3.578 -2.323 1.00 0.00 C ATOM 1312 CE3 TRP A 87 -0.919 5.737 -3.006 1.00 0.00 C ATOM 1313 CZ2 TRP A 87 -0.578 2.970 -3.472 1.00 0.00 C ATOM 1314 CZ3 TRP A 87 -1.414 5.133 -4.145 1.00 0.00 C ATOM 1315 CH2 TRP A 87 -1.242 3.760 -4.370 1.00 0.00 C ATOM 0 H TRP A 87 2.920 6.161 0.410 1.00 0.00 H new ATOM 0 HA TRP A 87 1.517 7.562 -1.724 1.00 0.00 H new ATOM 0 HB2 TRP A 87 0.615 6.399 0.942 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -0.458 7.092 -0.258 1.00 0.00 H new ATOM 0 HD1 TRP A 87 1.431 3.905 0.560 1.00 0.00 H new ATOM 0 HE1 TRP A 87 0.881 2.063 -1.172 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -1.057 6.795 -2.841 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -0.446 1.913 -3.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -1.943 5.728 -4.875 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -1.642 3.317 -5.270 1.00 0.00 H new ATOM 1326 N LEU A 88 2.516 9.061 0.914 1.00 0.00 N ATOM 1327 CA LEU A 88 2.577 10.339 1.616 1.00 0.00 C ATOM 1328 C LEU A 88 3.788 11.150 1.168 1.00 0.00 C ATOM 1329 O LEU A 88 4.205 12.088 1.845 1.00 0.00 O ATOM 1330 CB LEU A 88 2.633 10.110 3.127 1.00 0.00 C ATOM 1331 CG LEU A 88 1.704 9.027 3.677 1.00 0.00 C ATOM 1332 CD1 LEU A 88 1.238 9.385 5.080 1.00 0.00 C ATOM 1333 CD2 LEU A 88 0.513 8.826 2.752 1.00 0.00 C ATOM 0 H LEU A 88 3.247 8.400 1.177 1.00 0.00 H new ATOM 0 HA LEU A 88 1.676 10.902 1.373 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.657 9.854 3.398 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.397 11.050 3.626 1.00 0.00 H new ATOM 0 HG LEU A 88 2.260 8.091 3.729 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.578 8.603 5.455 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.102 9.477 5.738 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.700 10.332 5.054 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.137 8.052 3.159 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.043 9.759 2.667 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.865 8.523 1.766 1.00 0.00 H new ATOM 1345 N GLY A 89 4.349 10.782 0.019 1.00 0.00 N ATOM 1346 CA GLY A 89 5.506 11.486 -0.501 1.00 0.00 C ATOM 1347 C GLY A 89 5.338 12.992 -0.452 1.00 0.00 C ATOM 1348 O GLY A 89 6.252 13.713 -0.050 1.00 0.00 O ATOM 0 H GLY A 89 4.022 10.009 -0.560 1.00 0.00 H new ATOM 0 HA2 GLY A 89 6.388 11.203 0.073 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.683 11.176 -1.531 1.00 0.00 H new ATOM 1352 N LEU A 90 4.168 13.469 -0.863 1.00 0.00 N ATOM 1353 CA LEU A 90 3.883 14.900 -0.865 1.00 0.00 C ATOM 1354 C LEU A 90 3.045 15.291 0.348 1.00 0.00 C ATOM 1355 O LEU A 90 2.976 16.464 0.716 1.00 0.00 O ATOM 1356 CB LEU A 90 3.154 15.293 -2.151 1.00 0.00 C ATOM 1357 CG LEU A 90 4.040 15.600 -3.358 1.00 0.00 C ATOM 1358 CD1 LEU A 90 3.191 15.989 -4.559 1.00 0.00 C ATOM 1359 CD2 LEU A 90 5.033 16.704 -3.024 1.00 0.00 C ATOM 0 H LEU A 90 3.401 12.886 -1.199 1.00 0.00 H new ATOM 0 HA LEU A 90 4.832 15.434 -0.815 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.474 14.485 -2.421 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.541 16.170 -1.944 1.00 0.00 H new ATOM 0 HG LEU A 90 4.600 14.700 -3.612 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.839 16.204 -5.409 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.521 15.167 -4.812 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.604 16.875 -4.318 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.655 16.909 -3.895 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.492 17.608 -2.744 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.664 16.387 -2.194 1.00 0.00 H new ATOM 1371 N PHE A 91 2.413 14.300 0.967 1.00 0.00 N ATOM 1372 CA PHE A 91 1.580 14.539 2.141 1.00 0.00 C ATOM 1373 C PHE A 91 2.438 14.880 3.356 1.00 0.00 C ATOM 1374 O PHE A 91 3.335 14.123 3.728 1.00 0.00 O ATOM 1375 CB PHE A 91 0.717 13.312 2.439 1.00 0.00 C ATOM 1376 CG PHE A 91 -0.198 13.494 3.616 1.00 0.00 C ATOM 1377 CD1 PHE A 91 0.316 13.614 4.898 1.00 0.00 C ATOM 1378 CD2 PHE A 91 -1.571 13.546 3.441 1.00 0.00 C ATOM 1379 CE1 PHE A 91 -0.524 13.781 5.982 1.00 0.00 C ATOM 1380 CE2 PHE A 91 -2.416 13.713 4.522 1.00 0.00 C ATOM 1381 CZ PHE A 91 -1.892 13.832 5.794 1.00 0.00 C ATOM 0 H PHE A 91 2.461 13.324 0.676 1.00 0.00 H new ATOM 0 HA PHE A 91 0.930 15.388 1.928 1.00 0.00 H new ATOM 0 HB2 PHE A 91 0.120 13.075 1.558 1.00 0.00 H new ATOM 0 HB3 PHE A 91 1.367 12.457 2.623 1.00 0.00 H new ATOM 0 HD1 PHE A 91 1.384 13.577 5.051 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -1.986 13.455 2.448 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -0.112 13.872 6.976 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.485 13.750 4.372 1.00 0.00 H new ATOM 0 HZ PHE A 91 -2.550 13.965 6.640 1.00 0.00 H new ATOM 1490 N PRO A 99 -7.847 12.729 8.750 1.00 0.00 N ATOM 1491 CA PRO A 99 -9.286 12.665 9.027 1.00 0.00 C ATOM 1492 C PRO A 99 -9.600 11.853 10.278 1.00 0.00 C ATOM 1493 O PRO A 99 -8.696 11.433 11.001 1.00 0.00 O ATOM 1494 CB PRO A 99 -9.855 11.975 7.785 1.00 0.00 C ATOM 1495 CG PRO A 99 -8.722 11.173 7.244 1.00 0.00 C ATOM 1496 CD PRO A 99 -7.476 11.955 7.554 1.00 0.00 C ATOM 0 HA PRO A 99 -9.709 13.652 9.215 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -10.704 11.340 8.039 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -10.209 12.703 7.055 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -8.688 10.186 7.705 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -8.830 11.020 6.170 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -6.628 11.299 7.748 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -7.194 12.605 6.726 1.00 0.00 H new ATOM 1504 N ASP A 100 -10.886 11.636 10.529 1.00 0.00 N ATOM 1505 CA ASP A 100 -11.320 10.872 11.694 1.00 0.00 C ATOM 1506 C ASP A 100 -11.517 9.402 11.337 1.00 0.00 C ATOM 1507 O ASP A 100 -11.753 9.060 10.178 1.00 0.00 O ATOM 1508 CB ASP A 100 -12.619 11.452 12.256 1.00 0.00 C ATOM 1509 CG ASP A 100 -13.791 11.265 11.313 1.00 0.00 C ATOM 1510 OD1 ASP A 100 -14.007 12.145 10.453 1.00 0.00 O ATOM 1511 OD2 ASP A 100 -14.494 10.240 11.436 1.00 0.00 O ATOM 0 H ASP A 100 -11.647 11.978 9.942 1.00 0.00 H new ATOM 0 HA ASP A 100 -10.542 10.942 12.454 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -12.844 10.975 13.210 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -12.483 12.515 12.456 1.00 0.00 H new ATOM 1516 N PHE A 101 -11.417 8.537 12.341 1.00 0.00 N ATOM 1517 CA PHE A 101 -11.582 7.103 12.133 1.00 0.00 C ATOM 1518 C PHE A 101 -12.894 6.613 12.739 1.00 0.00 C ATOM 1519 O PHE A 101 -12.919 5.631 13.481 1.00 0.00 O ATOM 1520 CB PHE A 101 -10.407 6.339 12.746 1.00 0.00 C ATOM 1521 CG PHE A 101 -9.085 7.028 12.566 1.00 0.00 C ATOM 1522 CD1 PHE A 101 -8.764 7.638 11.364 1.00 0.00 C ATOM 1523 CD2 PHE A 101 -8.162 7.064 13.599 1.00 0.00 C ATOM 1524 CE1 PHE A 101 -7.548 8.273 11.196 1.00 0.00 C ATOM 1525 CE2 PHE A 101 -6.944 7.698 13.436 1.00 0.00 C ATOM 1526 CZ PHE A 101 -6.637 8.302 12.233 1.00 0.00 C ATOM 0 H PHE A 101 -11.223 8.804 13.306 1.00 0.00 H new ATOM 0 HA PHE A 101 -11.607 6.917 11.059 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -10.592 6.197 13.811 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.355 5.347 12.297 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -9.472 7.617 10.549 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -8.396 6.592 14.542 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -7.311 8.746 10.255 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -6.233 7.721 14.249 1.00 0.00 H new ATOM 0 HZ PHE A 101 -5.686 8.796 12.103 1.00 0.00 H new ATOM 1536 N ARG A 102 -13.982 7.305 12.418 1.00 0.00 N ATOM 1537 CA ARG A 102 -15.298 6.943 12.932 1.00 0.00 C ATOM 1538 C ARG A 102 -16.341 6.963 11.819 1.00 0.00 C ATOM 1539 O ARG A 102 -17.257 6.141 11.798 1.00 0.00 O ATOM 1540 CB ARG A 102 -15.713 7.899 14.052 1.00 0.00 C ATOM 1541 CG ARG A 102 -14.794 7.856 15.261 1.00 0.00 C ATOM 1542 CD ARG A 102 -15.176 6.732 16.212 1.00 0.00 C ATOM 1543 NE ARG A 102 -14.490 6.845 17.497 1.00 0.00 N ATOM 1544 CZ ARG A 102 -14.561 5.924 18.451 1.00 0.00 C ATOM 1545 NH1 ARG A 102 -15.282 4.827 18.265 1.00 0.00 N ATOM 1546 NH2 ARG A 102 -13.909 6.099 19.593 1.00 0.00 N ATOM 0 H ARG A 102 -13.979 8.120 11.804 1.00 0.00 H new ATOM 0 HA ARG A 102 -15.238 5.931 13.332 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -15.736 8.916 13.660 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -16.727 7.656 14.368 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -13.764 7.721 14.932 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -14.838 8.810 15.787 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -16.254 6.745 16.374 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -14.934 5.773 15.755 1.00 0.00 H new ATOM 0 HE ARG A 102 -13.926 7.677 17.671 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -15.784 4.689 17.388 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -15.335 4.121 18.999 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -13.353 6.941 19.739 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -13.964 5.391 20.325 1.00 0.00 H new ATOM 1560 N ASP A 103 -16.194 7.906 10.895 1.00 0.00 N ATOM 1561 CA ASP A 103 -17.123 8.033 9.778 1.00 0.00 C ATOM 1562 C ASP A 103 -16.476 7.566 8.478 1.00 0.00 C ATOM 1563 O ASP A 103 -15.345 7.927 8.153 1.00 0.00 O ATOM 1564 CB ASP A 103 -17.590 9.483 9.637 1.00 0.00 C ATOM 1565 CG ASP A 103 -18.609 9.867 10.692 1.00 0.00 C ATOM 1566 OD1 ASP A 103 -19.762 9.396 10.603 1.00 0.00 O ATOM 1567 OD2 ASP A 103 -18.253 10.639 11.606 1.00 0.00 O ATOM 0 H ASP A 103 -15.441 8.594 10.897 1.00 0.00 H new ATOM 0 HA ASP A 103 -17.986 7.400 9.982 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -16.729 10.148 9.708 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -18.023 9.628 8.647 1.00 0.00 H new ATOM 1572 N PRO A 104 -17.209 6.741 7.715 1.00 0.00 N ATOM 1573 CA PRO A 104 -16.727 6.206 6.438 1.00 0.00 C ATOM 1574 C PRO A 104 -16.632 7.279 5.359 1.00 0.00 C ATOM 1575 O PRO A 104 -15.753 7.230 4.499 1.00 0.00 O ATOM 1576 CB PRO A 104 -17.787 5.166 6.066 1.00 0.00 C ATOM 1577 CG PRO A 104 -19.023 5.620 6.762 1.00 0.00 C ATOM 1578 CD PRO A 104 -18.565 6.268 8.039 1.00 0.00 C ATOM 0 HA PRO A 104 -15.720 5.797 6.522 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -17.935 5.119 4.987 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -17.494 4.168 6.391 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -19.582 6.324 6.146 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -19.686 4.780 6.967 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -19.219 7.091 8.329 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -18.556 5.560 8.868 1.00 0.00 H new ATOM 1586 N GLN A 105 -17.541 8.246 5.411 1.00 0.00 N ATOM 1587 CA GLN A 105 -17.558 9.331 4.436 1.00 0.00 C ATOM 1588 C GLN A 105 -16.239 10.096 4.449 1.00 0.00 C ATOM 1589 O GLN A 105 -15.619 10.303 3.406 1.00 0.00 O ATOM 1590 CB GLN A 105 -18.718 10.286 4.725 1.00 0.00 C ATOM 1591 CG GLN A 105 -19.250 10.989 3.487 1.00 0.00 C ATOM 1592 CD GLN A 105 -20.432 11.889 3.789 1.00 0.00 C ATOM 1593 OE1 GLN A 105 -21.535 11.413 4.062 1.00 0.00 O ATOM 1594 NE2 GLN A 105 -20.209 13.197 3.742 1.00 0.00 N ATOM 0 H GLN A 105 -18.275 8.301 6.117 1.00 0.00 H new ATOM 0 HA GLN A 105 -17.693 8.894 3.447 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -19.529 9.728 5.193 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -18.390 11.035 5.445 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -18.452 11.582 3.039 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -19.545 10.243 2.749 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -19.279 13.548 3.512 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -20.967 13.851 3.936 1.00 0.00 H new ATOM 1603 N LYS A 106 -15.815 10.514 5.637 1.00 0.00 N ATOM 1604 CA LYS A 106 -14.569 11.255 5.788 1.00 0.00 C ATOM 1605 C LYS A 106 -13.379 10.418 5.331 1.00 0.00 C ATOM 1606 O LYS A 106 -12.541 10.882 4.557 1.00 0.00 O ATOM 1607 CB LYS A 106 -14.377 11.680 7.246 1.00 0.00 C ATOM 1608 CG LYS A 106 -15.435 12.652 7.740 1.00 0.00 C ATOM 1609 CD LYS A 106 -15.335 13.993 7.033 1.00 0.00 C ATOM 1610 CE LYS A 106 -16.361 14.981 7.565 1.00 0.00 C ATOM 1611 NZ LYS A 106 -17.707 14.759 6.967 1.00 0.00 N ATOM 0 H LYS A 106 -16.317 10.352 6.510 1.00 0.00 H new ATOM 0 HA LYS A 106 -14.627 12.145 5.161 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -14.387 10.793 7.879 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.394 12.139 7.356 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -16.425 12.227 7.577 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -15.323 12.797 8.815 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -14.333 14.401 7.165 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -15.484 13.853 5.962 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -16.426 14.889 8.649 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -16.031 15.998 7.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -18.378 15.452 7.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -17.651 14.872 5.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -18.033 13.798 7.193 1.00 0.00 H new ATOM 1625 N VAL A 107 -13.311 9.181 5.813 1.00 0.00 N ATOM 1626 CA VAL A 107 -12.225 8.278 5.452 1.00 0.00 C ATOM 1627 C VAL A 107 -12.207 8.013 3.951 1.00 0.00 C ATOM 1628 O VAL A 107 -11.143 7.944 3.334 1.00 0.00 O ATOM 1629 CB VAL A 107 -12.341 6.935 6.197 1.00 0.00 C ATOM 1630 CG1 VAL A 107 -11.256 5.973 5.736 1.00 0.00 C ATOM 1631 CG2 VAL A 107 -12.268 7.153 7.701 1.00 0.00 C ATOM 0 H VAL A 107 -13.996 8.781 6.455 1.00 0.00 H new ATOM 0 HA VAL A 107 -11.296 8.768 5.743 1.00 0.00 H new ATOM 0 HB VAL A 107 -13.309 6.492 5.963 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -11.354 5.030 6.273 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -11.360 5.794 4.666 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -10.276 6.406 5.938 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -12.352 6.194 8.212 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -11.316 7.618 7.955 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -13.085 7.803 8.014 1.00 0.00 H new ATOM 1641 N LYS A 108 -13.391 7.867 3.367 1.00 0.00 N ATOM 1642 CA LYS A 108 -13.514 7.611 1.936 1.00 0.00 C ATOM 1643 C LYS A 108 -13.002 8.798 1.126 1.00 0.00 C ATOM 1644 O LYS A 108 -12.040 8.675 0.369 1.00 0.00 O ATOM 1645 CB LYS A 108 -14.971 7.321 1.572 1.00 0.00 C ATOM 1646 CG LYS A 108 -15.219 7.235 0.076 1.00 0.00 C ATOM 1647 CD LYS A 108 -16.518 6.512 -0.234 1.00 0.00 C ATOM 1648 CE LYS A 108 -16.303 5.013 -0.372 1.00 0.00 C ATOM 1649 NZ LYS A 108 -17.534 4.242 -0.043 1.00 0.00 N ATOM 0 H LYS A 108 -14.281 7.922 3.863 1.00 0.00 H new ATOM 0 HA LYS A 108 -12.906 6.739 1.694 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -15.273 6.382 2.036 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -15.604 8.102 1.992 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -15.251 8.239 -0.347 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -14.389 6.714 -0.402 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -17.241 6.705 0.558 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -16.943 6.906 -1.157 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -15.993 4.783 -1.391 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -15.492 4.701 0.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -17.345 3.225 -0.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -17.816 4.441 0.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -18.301 4.521 -0.688 1.00 0.00 H new ATOM 1663 N GLU A 109 -13.652 9.946 1.293 1.00 0.00 N ATOM 1664 CA GLU A 109 -13.261 11.155 0.576 1.00 0.00 C ATOM 1665 C GLU A 109 -11.748 11.347 0.619 1.00 0.00 C ATOM 1666 O GLU A 109 -11.149 11.860 -0.326 1.00 0.00 O ATOM 1667 CB GLU A 109 -13.959 12.378 1.176 1.00 0.00 C ATOM 1668 CG GLU A 109 -13.608 12.625 2.633 1.00 0.00 C ATOM 1669 CD GLU A 109 -14.082 13.979 3.126 1.00 0.00 C ATOM 1670 OE1 GLU A 109 -15.150 14.436 2.669 1.00 0.00 O ATOM 1671 OE2 GLU A 109 -13.383 14.581 3.968 1.00 0.00 O ATOM 0 H GLU A 109 -14.450 10.064 1.917 1.00 0.00 H new ATOM 0 HA GLU A 109 -13.566 11.045 -0.465 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -13.694 13.260 0.593 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -15.038 12.250 1.088 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -14.053 11.843 3.248 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -12.528 12.554 2.760 1.00 0.00 H new ATOM 1678 N PHE A 110 -11.135 10.933 1.724 1.00 0.00 N ATOM 1679 CA PHE A 110 -9.692 11.061 1.892 1.00 0.00 C ATOM 1680 C PHE A 110 -8.957 9.955 1.139 1.00 0.00 C ATOM 1681 O PHE A 110 -8.009 10.217 0.398 1.00 0.00 O ATOM 1682 CB PHE A 110 -9.324 11.014 3.376 1.00 0.00 C ATOM 1683 CG PHE A 110 -7.849 10.876 3.624 1.00 0.00 C ATOM 1684 CD1 PHE A 110 -7.199 9.681 3.364 1.00 0.00 C ATOM 1685 CD2 PHE A 110 -7.114 11.942 4.118 1.00 0.00 C ATOM 1686 CE1 PHE A 110 -5.841 9.551 3.590 1.00 0.00 C ATOM 1687 CE2 PHE A 110 -5.757 11.818 4.346 1.00 0.00 C ATOM 1688 CZ PHE A 110 -5.120 10.621 4.083 1.00 0.00 C ATOM 0 H PHE A 110 -11.615 10.506 2.516 1.00 0.00 H new ATOM 0 HA PHE A 110 -9.387 12.023 1.479 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -9.682 11.923 3.860 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -9.843 10.178 3.844 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -7.759 8.841 2.980 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -7.607 12.880 4.327 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -5.345 8.615 3.381 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -5.195 12.656 4.730 1.00 0.00 H new ATOM 0 HZ PHE A 110 -4.060 10.522 4.263 1.00 0.00 H new ATOM 1698 N LEU A 111 -9.401 8.719 1.335 1.00 0.00 N ATOM 1699 CA LEU A 111 -8.786 7.572 0.676 1.00 0.00 C ATOM 1700 C LEU A 111 -8.785 7.750 -0.839 1.00 0.00 C ATOM 1701 O LEU A 111 -7.829 7.375 -1.517 1.00 0.00 O ATOM 1702 CB LEU A 111 -9.527 6.286 1.049 1.00 0.00 C ATOM 1703 CG LEU A 111 -9.140 5.653 2.386 1.00 0.00 C ATOM 1704 CD1 LEU A 111 -10.080 4.507 2.726 1.00 0.00 C ATOM 1705 CD2 LEU A 111 -7.698 5.168 2.348 1.00 0.00 C ATOM 0 H LEU A 111 -10.184 8.485 1.945 1.00 0.00 H new ATOM 0 HA LEU A 111 -7.753 7.501 1.016 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -10.596 6.498 1.066 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -9.360 5.552 0.260 1.00 0.00 H new ATOM 0 HG LEU A 111 -9.228 6.411 3.164 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -9.789 4.069 3.681 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -11.101 4.882 2.795 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -10.025 3.747 1.946 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -7.439 4.720 3.308 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -7.585 4.425 1.559 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -7.036 6.011 2.151 1.00 0.00 H new ATOM 1717 N GLN A 112 -9.863 8.326 -1.363 1.00 0.00 N ATOM 1718 CA GLN A 112 -9.985 8.555 -2.797 1.00 0.00 C ATOM 1719 C GLN A 112 -8.867 9.463 -3.301 1.00 0.00 C ATOM 1720 O GLN A 112 -8.115 9.095 -4.202 1.00 0.00 O ATOM 1721 CB GLN A 112 -11.346 9.174 -3.122 1.00 0.00 C ATOM 1722 CG GLN A 112 -12.523 8.296 -2.729 1.00 0.00 C ATOM 1723 CD GLN A 112 -13.842 9.041 -2.760 1.00 0.00 C ATOM 1724 OE1 GLN A 112 -13.875 10.265 -2.888 1.00 0.00 O ATOM 1725 NE2 GLN A 112 -14.941 8.304 -2.642 1.00 0.00 N ATOM 0 H GLN A 112 -10.663 8.642 -0.816 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.901 7.592 -3.301 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.431 10.132 -2.610 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -11.397 9.378 -4.191 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -12.576 7.442 -3.405 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -12.357 7.900 -1.727 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -14.868 7.292 -2.538 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -15.858 8.750 -2.656 1.00 0.00 H new ATOM 1734 N GLU A 113 -8.765 10.650 -2.712 1.00 0.00 N ATOM 1735 CA GLU A 113 -7.740 11.610 -3.102 1.00 0.00 C ATOM 1736 C GLU A 113 -6.346 11.005 -2.964 1.00 0.00 C ATOM 1737 O GLU A 113 -5.364 11.555 -3.463 1.00 0.00 O ATOM 1738 CB GLU A 113 -7.844 12.877 -2.250 1.00 0.00 C ATOM 1739 CG GLU A 113 -9.200 13.557 -2.335 1.00 0.00 C ATOM 1740 CD GLU A 113 -9.423 14.251 -3.665 1.00 0.00 C ATOM 1741 OE1 GLU A 113 -8.615 15.136 -4.015 1.00 0.00 O ATOM 1742 OE2 GLU A 113 -10.406 13.908 -4.355 1.00 0.00 O ATOM 0 H GLU A 113 -9.380 10.970 -1.963 1.00 0.00 H new ATOM 0 HA GLU A 113 -7.903 11.870 -4.148 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -7.639 12.623 -1.210 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -7.073 13.581 -2.565 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -9.984 12.816 -2.180 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -9.287 14.286 -1.530 1.00 0.00 H new ATOM 1749 N LYS A 114 -6.267 9.867 -2.281 1.00 0.00 N ATOM 1750 CA LYS A 114 -4.996 9.184 -2.076 1.00 0.00 C ATOM 1751 C LYS A 114 -4.771 8.119 -3.145 1.00 0.00 C ATOM 1752 O LYS A 114 -3.643 7.892 -3.581 1.00 0.00 O ATOM 1753 CB LYS A 114 -4.955 8.544 -0.687 1.00 0.00 C ATOM 1754 CG LYS A 114 -3.552 8.206 -0.213 1.00 0.00 C ATOM 1755 CD LYS A 114 -3.577 7.432 1.095 1.00 0.00 C ATOM 1756 CE LYS A 114 -2.197 7.370 1.731 1.00 0.00 C ATOM 1757 NZ LYS A 114 -2.273 7.291 3.216 1.00 0.00 N ATOM 0 H LYS A 114 -7.069 9.399 -1.860 1.00 0.00 H new ATOM 0 HA LYS A 114 -4.199 9.924 -2.152 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.418 9.222 0.030 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.555 7.634 -0.698 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -3.041 7.618 -0.975 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.980 9.124 -0.083 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -4.276 7.904 1.785 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -3.941 6.421 0.914 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -1.660 6.502 1.348 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -1.625 8.252 1.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -1.938 8.185 3.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -3.258 7.124 3.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -1.676 6.509 3.553 1.00 0.00 H new ATOM 1771 N TYR A 115 -5.852 7.470 -3.562 1.00 0.00 N ATOM 1772 CA TYR A 115 -5.773 6.428 -4.579 1.00 0.00 C ATOM 1773 C TYR A 115 -6.577 6.813 -5.818 1.00 0.00 C ATOM 1774 O TYR A 115 -6.049 6.843 -6.929 1.00 0.00 O ATOM 1775 CB TYR A 115 -6.283 5.099 -4.019 1.00 0.00 C ATOM 1776 CG TYR A 115 -5.693 4.744 -2.673 1.00 0.00 C ATOM 1777 CD1 TYR A 115 -4.355 4.987 -2.392 1.00 0.00 C ATOM 1778 CD2 TYR A 115 -6.476 4.165 -1.681 1.00 0.00 C ATOM 1779 CE1 TYR A 115 -3.812 4.663 -1.164 1.00 0.00 C ATOM 1780 CE2 TYR A 115 -5.943 3.839 -0.449 1.00 0.00 C ATOM 1781 CZ TYR A 115 -4.610 4.089 -0.196 1.00 0.00 C ATOM 1782 OH TYR A 115 -4.074 3.766 1.030 1.00 0.00 O ATOM 0 H TYR A 115 -6.793 7.647 -3.212 1.00 0.00 H new ATOM 0 HA TYR A 115 -4.728 6.316 -4.867 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -7.368 5.144 -3.930 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -6.054 4.304 -4.728 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -3.728 5.437 -3.147 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -7.519 3.967 -1.877 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -2.769 4.858 -0.963 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -6.566 3.391 0.311 1.00 0.00 H new ATOM 0 HH TYR A 115 -3.240 4.263 1.164 1.00 0.00 H new ATOM 1792 N GLU A 116 -7.857 7.108 -5.615 1.00 0.00 N ATOM 1793 CA GLU A 116 -8.735 7.491 -6.715 1.00 0.00 C ATOM 1794 C GLU A 116 -8.155 8.672 -7.488 1.00 0.00 C ATOM 1795 O GLU A 116 -8.358 8.798 -8.696 1.00 0.00 O ATOM 1796 CB GLU A 116 -10.126 7.847 -6.186 1.00 0.00 C ATOM 1797 CG GLU A 116 -11.075 6.662 -6.122 1.00 0.00 C ATOM 1798 CD GLU A 116 -11.573 6.239 -7.490 1.00 0.00 C ATOM 1799 OE1 GLU A 116 -10.734 6.033 -8.391 1.00 0.00 O ATOM 1800 OE2 GLU A 116 -12.804 6.113 -7.659 1.00 0.00 O ATOM 0 H GLU A 116 -8.309 7.089 -4.701 1.00 0.00 H new ATOM 0 HA GLU A 116 -8.818 6.641 -7.393 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.027 8.277 -5.189 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -10.562 8.617 -6.823 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -10.569 5.821 -5.648 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -11.927 6.917 -5.492 1.00 0.00 H new ATOM 1807 N LYS A 117 -7.432 9.535 -6.783 1.00 0.00 N ATOM 1808 CA LYS A 117 -6.821 10.706 -7.401 1.00 0.00 C ATOM 1809 C LYS A 117 -5.299 10.611 -7.360 1.00 0.00 C ATOM 1810 O LYS A 117 -4.608 11.181 -8.204 1.00 0.00 O ATOM 1811 CB LYS A 117 -7.282 11.981 -6.691 1.00 0.00 C ATOM 1812 CG LYS A 117 -8.768 11.999 -6.376 1.00 0.00 C ATOM 1813 CD LYS A 117 -9.605 12.080 -7.642 1.00 0.00 C ATOM 1814 CE LYS A 117 -9.499 13.451 -8.293 1.00 0.00 C ATOM 1815 NZ LYS A 117 -8.381 13.514 -9.274 1.00 0.00 N ATOM 0 H LYS A 117 -7.255 9.446 -5.783 1.00 0.00 H new ATOM 0 HA LYS A 117 -7.137 10.743 -8.443 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -6.721 12.093 -5.763 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -7.041 12.842 -7.315 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -9.034 11.100 -5.820 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -8.995 12.850 -5.734 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -9.277 11.315 -8.346 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -10.648 11.868 -7.404 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -10.437 13.688 -8.795 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -9.350 14.208 -7.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -7.722 14.271 -9.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -7.877 12.604 -9.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -8.761 13.711 -10.222 1.00 0.00 H new ATOM 1829 N LYS A 118 -4.782 9.886 -6.373 1.00 0.00 N ATOM 1830 CA LYS A 118 -3.342 9.713 -6.223 1.00 0.00 C ATOM 1831 C LYS A 118 -2.641 11.063 -6.109 1.00 0.00 C ATOM 1832 O LYS A 118 -1.663 11.326 -6.809 1.00 0.00 O ATOM 1833 CB LYS A 118 -2.776 8.930 -7.410 1.00 0.00 C ATOM 1834 CG LYS A 118 -2.797 7.425 -7.212 1.00 0.00 C ATOM 1835 CD LYS A 118 -2.019 6.708 -8.302 1.00 0.00 C ATOM 1836 CE LYS A 118 -1.998 5.204 -8.075 1.00 0.00 C ATOM 1837 NZ LYS A 118 -3.196 4.539 -8.659 1.00 0.00 N ATOM 0 H LYS A 118 -5.340 9.409 -5.665 1.00 0.00 H new ATOM 0 HA LYS A 118 -3.162 9.152 -5.306 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -3.348 9.178 -8.304 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -1.750 9.250 -7.589 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -2.372 7.179 -6.239 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -3.828 7.072 -7.208 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -2.466 6.924 -9.272 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -0.997 7.087 -8.331 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -1.096 4.782 -8.518 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -1.954 4.999 -7.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -3.145 3.515 -8.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -4.056 4.923 -8.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -3.225 4.714 -9.684 1.00 0.00 H new ATOM 1851 N ARG A 119 -3.147 11.914 -5.223 1.00 0.00 N ATOM 1852 CA ARG A 119 -2.568 13.236 -5.017 1.00 0.00 C ATOM 1853 C ARG A 119 -1.121 13.129 -4.545 1.00 0.00 C ATOM 1854 O ARG A 119 -0.192 13.455 -5.283 1.00 0.00 O ATOM 1855 CB ARG A 119 -3.392 14.024 -3.997 1.00 0.00 C ATOM 1856 CG ARG A 119 -3.285 15.531 -4.160 1.00 0.00 C ATOM 1857 CD ARG A 119 -4.559 16.232 -3.715 1.00 0.00 C ATOM 1858 NE ARG A 119 -4.393 17.681 -3.651 1.00 0.00 N ATOM 1859 CZ ARG A 119 -5.388 18.525 -3.400 1.00 0.00 C ATOM 1860 NH1 ARG A 119 -6.614 18.065 -3.190 1.00 0.00 N ATOM 1861 NH2 ARG A 119 -5.157 19.831 -3.358 1.00 0.00 N ATOM 0 H ARG A 119 -3.957 11.712 -4.636 1.00 0.00 H new ATOM 0 HA ARG A 119 -2.582 13.764 -5.971 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -4.438 13.731 -4.084 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -3.067 13.752 -2.993 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -2.442 15.902 -3.577 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -3.082 15.772 -5.204 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -5.366 15.990 -4.406 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -4.855 15.858 -2.735 1.00 0.00 H new ATOM 0 HE ARG A 119 -3.462 18.067 -3.808 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -6.794 17.062 -3.221 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -7.376 18.715 -2.997 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -4.215 20.188 -3.518 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -5.921 20.478 -3.165 1.00 0.00 H new ATOM 1875 N TRP A 120 -0.939 12.672 -3.312 1.00 0.00 N ATOM 1876 CA TRP A 120 0.395 12.523 -2.741 1.00 0.00 C ATOM 1877 C TRP A 120 1.035 11.213 -3.189 1.00 0.00 C ATOM 1878 O TRP A 120 1.551 10.452 -2.371 1.00 0.00 O ATOM 1879 CB TRP A 120 0.327 12.575 -1.214 1.00 0.00 C ATOM 1880 CG TRP A 120 -0.582 13.648 -0.696 1.00 0.00 C ATOM 1881 CD1 TRP A 120 -0.255 14.951 -0.451 1.00 0.00 C ATOM 1882 CD2 TRP A 120 -1.966 13.509 -0.359 1.00 0.00 C ATOM 1883 NE1 TRP A 120 -1.353 15.631 0.019 1.00 0.00 N ATOM 1884 CE2 TRP A 120 -2.416 14.769 0.084 1.00 0.00 C ATOM 1885 CE3 TRP A 120 -2.870 12.444 -0.389 1.00 0.00 C ATOM 1886 CZ2 TRP A 120 -3.728 14.989 0.493 1.00 0.00 C ATOM 1887 CZ3 TRP A 120 -4.173 12.664 0.017 1.00 0.00 C ATOM 1888 CH2 TRP A 120 -4.592 13.928 0.453 1.00 0.00 C ATOM 0 H TRP A 120 -1.698 12.398 -2.688 1.00 0.00 H new ATOM 0 HA TRP A 120 1.011 13.348 -3.099 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -0.012 11.609 -0.840 1.00 0.00 H new ATOM 0 HB3 TRP A 120 1.330 12.736 -0.818 1.00 0.00 H new ATOM 0 HD1 TRP A 120 0.723 15.384 -0.604 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -1.373 16.617 0.278 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -2.556 11.466 -0.723 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -4.053 15.962 0.830 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -4.880 11.848 -0.002 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -5.617 14.068 0.764 1.00 0.00 H new ATOM 1899 N TYR A 121 0.999 10.958 -4.493 1.00 0.00 N ATOM 1900 CA TYR A 121 1.575 9.739 -5.049 1.00 0.00 C ATOM 1901 C TYR A 121 3.033 9.956 -5.444 1.00 0.00 C ATOM 1902 O TYR A 121 3.357 10.890 -6.177 1.00 0.00 O ATOM 1903 CB TYR A 121 0.769 9.278 -6.264 1.00 0.00 C ATOM 1904 CG TYR A 121 1.402 8.124 -7.008 1.00 0.00 C ATOM 1905 CD1 TYR A 121 1.698 6.932 -6.360 1.00 0.00 C ATOM 1906 CD2 TYR A 121 1.704 8.227 -8.361 1.00 0.00 C ATOM 1907 CE1 TYR A 121 2.278 5.876 -7.036 1.00 0.00 C ATOM 1908 CE2 TYR A 121 2.282 7.175 -9.046 1.00 0.00 C ATOM 1909 CZ TYR A 121 2.567 6.002 -8.379 1.00 0.00 C ATOM 1910 OH TYR A 121 3.143 4.952 -9.056 1.00 0.00 O ATOM 0 H TYR A 121 0.577 11.579 -5.184 1.00 0.00 H new ATOM 0 HA TYR A 121 1.537 8.966 -4.281 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -0.229 8.985 -5.938 1.00 0.00 H new ATOM 0 HB3 TYR A 121 0.647 10.118 -6.948 1.00 0.00 H new ATOM 0 HD1 TYR A 121 1.471 6.829 -5.309 1.00 0.00 H new ATOM 0 HD2 TYR A 121 1.483 9.145 -8.886 1.00 0.00 H new ATOM 0 HE1 TYR A 121 2.504 4.957 -6.516 1.00 0.00 H new ATOM 0 HE2 TYR A 121 2.509 7.271 -10.097 1.00 0.00 H new ATOM 0 HH TYR A 121 3.280 5.203 -9.993 1.00 0.00 H new ATOM 1920 N VAL A 122 3.908 9.085 -4.952 1.00 0.00 N ATOM 1921 CA VAL A 122 5.331 9.178 -5.254 1.00 0.00 C ATOM 1922 C VAL A 122 6.005 7.814 -5.155 1.00 0.00 C ATOM 1923 O VAL A 122 6.249 7.292 -4.067 1.00 0.00 O ATOM 1924 CB VAL A 122 6.043 10.160 -4.304 1.00 0.00 C ATOM 1925 CG1 VAL A 122 7.544 10.146 -4.549 1.00 0.00 C ATOM 1926 CG2 VAL A 122 5.481 11.564 -4.470 1.00 0.00 C ATOM 0 H VAL A 122 3.656 8.307 -4.342 1.00 0.00 H new ATOM 0 HA VAL A 122 5.414 9.547 -6.276 1.00 0.00 H new ATOM 0 HB VAL A 122 5.863 9.840 -3.278 1.00 0.00 H new ATOM 0 HG11 VAL A 122 8.030 10.846 -3.869 1.00 0.00 H new ATOM 0 HG12 VAL A 122 7.932 9.142 -4.375 1.00 0.00 H new ATOM 0 HG13 VAL A 122 7.747 10.440 -5.579 1.00 0.00 H new ATOM 0 HG21 VAL A 122 5.995 12.244 -3.791 1.00 0.00 H new ATOM 0 HG22 VAL A 122 5.629 11.896 -5.498 1.00 0.00 H new ATOM 0 HG23 VAL A 122 4.416 11.559 -4.240 1.00 0.00 H new ATOM 1936 N PRO A 123 6.313 7.221 -6.317 1.00 0.00 N ATOM 1937 CA PRO A 123 6.964 5.909 -6.389 1.00 0.00 C ATOM 1938 C PRO A 123 8.412 5.954 -5.915 1.00 0.00 C ATOM 1939 O PRO A 123 9.092 6.976 -6.015 1.00 0.00 O ATOM 1940 CB PRO A 123 6.899 5.561 -7.878 1.00 0.00 C ATOM 1941 CG PRO A 123 6.821 6.878 -8.571 1.00 0.00 C ATOM 1942 CD PRO A 123 6.051 7.785 -7.652 1.00 0.00 C ATOM 0 HA PRO A 123 6.477 5.177 -5.745 1.00 0.00 H new ATOM 0 HB2 PRO A 123 7.779 5.000 -8.192 1.00 0.00 H new ATOM 0 HB3 PRO A 123 6.030 4.943 -8.103 1.00 0.00 H new ATOM 0 HG2 PRO A 123 7.817 7.275 -8.767 1.00 0.00 H new ATOM 0 HG3 PRO A 123 6.321 6.783 -9.535 1.00 0.00 H new ATOM 0 HD2 PRO A 123 6.394 8.817 -7.726 1.00 0.00 H new ATOM 0 HD3 PRO A 123 4.987 7.785 -7.886 1.00 0.00 H new ATOM 1950 N PRO A 124 8.898 4.821 -5.386 1.00 0.00 N ATOM 1951 CA PRO A 124 10.272 4.706 -4.887 1.00 0.00 C ATOM 1952 C PRO A 124 11.302 4.739 -6.011 1.00 0.00 C ATOM 1953 O PRO A 124 12.402 5.262 -5.841 1.00 0.00 O ATOM 1954 CB PRO A 124 10.283 3.343 -4.191 1.00 0.00 C ATOM 1955 CG PRO A 124 9.204 2.566 -4.862 1.00 0.00 C ATOM 1956 CD PRO A 124 8.145 3.565 -5.235 1.00 0.00 C ATOM 0 HA PRO A 124 10.539 5.536 -4.233 1.00 0.00 H new ATOM 0 HB2 PRO A 124 11.250 2.852 -4.298 1.00 0.00 H new ATOM 0 HB3 PRO A 124 10.093 3.443 -3.122 1.00 0.00 H new ATOM 0 HG2 PRO A 124 9.584 2.052 -5.745 1.00 0.00 H new ATOM 0 HG3 PRO A 124 8.802 1.801 -4.197 1.00 0.00 H new ATOM 0 HD2 PRO A 124 7.638 3.287 -6.159 1.00 0.00 H new ATOM 0 HD3 PRO A 124 7.379 3.646 -4.463 1.00 0.00 H new ATOM 1964 N GLU A 125 10.936 4.177 -7.159 1.00 0.00 N ATOM 1965 CA GLU A 125 11.830 4.142 -8.311 1.00 0.00 C ATOM 1966 C GLU A 125 12.676 5.410 -8.382 1.00 0.00 C ATOM 1967 O GLU A 125 13.826 5.377 -8.816 1.00 0.00 O ATOM 1968 CB GLU A 125 11.027 3.979 -9.603 1.00 0.00 C ATOM 1969 CG GLU A 125 10.490 2.573 -9.812 1.00 0.00 C ATOM 1970 CD GLU A 125 9.365 2.523 -10.828 1.00 0.00 C ATOM 1971 OE1 GLU A 125 9.410 3.303 -11.802 1.00 0.00 O ATOM 1972 OE2 GLU A 125 8.440 1.704 -10.648 1.00 0.00 O ATOM 0 H GLU A 125 10.028 3.740 -7.316 1.00 0.00 H new ATOM 0 HA GLU A 125 12.496 3.287 -8.195 1.00 0.00 H new ATOM 0 HB2 GLU A 125 10.192 4.680 -9.593 1.00 0.00 H new ATOM 0 HB3 GLU A 125 11.659 4.247 -10.450 1.00 0.00 H new ATOM 0 HG2 GLU A 125 11.301 1.924 -10.141 1.00 0.00 H new ATOM 0 HG3 GLU A 125 10.133 2.179 -8.860 1.00 0.00 H new ATOM 1979 N GLN A 126 12.095 6.526 -7.952 1.00 0.00 N ATOM 1980 CA GLN A 126 12.794 7.805 -7.968 1.00 0.00 C ATOM 1981 C GLN A 126 13.406 8.109 -6.604 1.00 0.00 C ATOM 1982 O GLN A 126 14.486 8.691 -6.513 1.00 0.00 O ATOM 1983 CB GLN A 126 11.838 8.929 -8.372 1.00 0.00 C ATOM 1984 CG GLN A 126 11.215 8.733 -9.745 1.00 0.00 C ATOM 1985 CD GLN A 126 10.196 9.804 -10.082 1.00 0.00 C ATOM 1986 OE1 GLN A 126 9.867 10.648 -9.248 1.00 0.00 O ATOM 1987 NE2 GLN A 126 9.690 9.774 -11.309 1.00 0.00 N ATOM 0 H GLN A 126 11.143 6.570 -7.589 1.00 0.00 H new ATOM 0 HA GLN A 126 13.598 7.740 -8.701 1.00 0.00 H new ATOM 0 HB2 GLN A 126 11.044 9.004 -7.629 1.00 0.00 H new ATOM 0 HB3 GLN A 126 12.377 9.876 -8.359 1.00 0.00 H new ATOM 0 HG2 GLN A 126 12.001 8.734 -10.500 1.00 0.00 H new ATOM 0 HG3 GLN A 126 10.736 7.755 -9.786 1.00 0.00 H new ATOM 0 HE21 GLN A 126 9.992 9.056 -11.968 1.00 0.00 H new ATOM 0 HE22 GLN A 126 8.999 10.469 -11.593 1.00 0.00 H new