USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 844 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 61 THR OG1 : rot 180:sc= -1.08 USER MOD Set 1.2: A 70 SER OG : rot 86:sc= 0.531 USER MOD Set 1.3: A 81 THR OG1 : rot 180:sc= 0.425 USER MOD Set 2.1: A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 126 HIS : no HD1:sc= -3.81 K(o=-5.5,f=-3.5) USER MOD Set 2.3: A 130 ASN : amide:sc= -1.66 K(o=-5.5,f=-2.2) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.229 K(o=-0.23,f=-1.4!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.163 USER MOD Single : A 26 THR OG1 : rot -130:sc= 0.817 USER MOD Single : A 27 SER OG : rot 40:sc= 0.904 USER MOD Single : A 35 MET CE :methyl 139:sc= -0.219 (180deg=-4.22!) USER MOD Single : A 37 ASN : amide:sc= 0.122 K(o=0.12,f=-11!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -1.27 K(o=-1.3,f=-5!) USER MOD Single : A 46 HIS : no HD1:sc= -0.13 X(o=-0.13,f=-0.61) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= -0.0129 X(o=-0.013,f=0) USER MOD Single : A 51 SER OG : rot -77:sc= 1.15 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot -4:sc= -1.1 USER MOD Single : A 59 GLN : amide:sc= 0.583 K(o=0.58,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -81:sc= 0.586 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= 0.139 K(o=0.14,f=-2!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.416 K(o=-0.42,f=-3.1!) USER MOD Single : A 91 THR OG1 : rot 84:sc= 1.21 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -0.84 K(o=-0.84,f=-0.033) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 101 N ILE A 7 -2.042 8.427 -7.190 1.00 0.00 N ATOM 102 CA ILE A 7 -2.367 8.431 -5.774 1.00 0.00 C ATOM 103 C ILE A 7 -1.085 8.248 -4.961 1.00 0.00 C ATOM 104 O ILE A 7 -0.891 7.213 -4.324 1.00 0.00 O ATOM 105 CB ILE A 7 -3.443 7.387 -5.469 1.00 0.00 C ATOM 106 CG1 ILE A 7 -4.814 7.850 -5.967 1.00 0.00 C ATOM 107 CG2 ILE A 7 -3.463 7.039 -3.979 1.00 0.00 C ATOM 108 CD1 ILE A 7 -5.835 6.713 -5.898 1.00 0.00 C ATOM 0 HA ILE A 7 -2.795 9.391 -5.484 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.195 6.474 -6.010 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.159 8.690 -5.365 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.731 8.207 -6.994 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.237 6.295 -3.789 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.493 6.637 -3.686 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.673 7.937 -3.398 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.801 7.069 -6.258 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.499 5.884 -6.521 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.934 6.375 -4.866 1.00 0.00 H new ATOM 120 N LYS A 8 -0.241 9.268 -5.008 1.00 0.00 N ATOM 121 CA LYS A 8 1.018 9.233 -4.283 1.00 0.00 C ATOM 122 C LYS A 8 0.832 9.890 -2.914 1.00 0.00 C ATOM 123 O LYS A 8 0.381 11.031 -2.826 1.00 0.00 O ATOM 124 CB LYS A 8 2.135 9.860 -5.120 1.00 0.00 C ATOM 125 CG LYS A 8 3.423 9.991 -4.304 1.00 0.00 C ATOM 126 CD LYS A 8 4.520 10.681 -5.118 1.00 0.00 C ATOM 127 CE LYS A 8 5.219 11.762 -4.291 1.00 0.00 C ATOM 128 NZ LYS A 8 4.474 13.038 -4.371 1.00 0.00 N ATOM 0 H LYS A 8 -0.404 10.125 -5.537 1.00 0.00 H new ATOM 0 HA LYS A 8 1.326 8.203 -4.103 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.320 9.248 -6.003 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.822 10.843 -5.473 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.226 10.561 -3.396 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.763 9.003 -3.993 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.250 9.943 -5.450 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.087 11.126 -6.014 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.293 11.442 -3.252 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.237 11.905 -4.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 4.962 13.761 -3.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.425 13.350 -5.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.511 12.901 -4.003 1.00 0.00 H new ATOM 142 N LYS A 9 1.188 9.142 -1.881 1.00 0.00 N ATOM 143 CA LYS A 9 1.066 9.637 -0.520 1.00 0.00 C ATOM 144 C LYS A 9 2.373 9.377 0.232 1.00 0.00 C ATOM 145 O LYS A 9 3.147 8.500 -0.147 1.00 0.00 O ATOM 146 CB LYS A 9 -0.166 9.036 0.160 1.00 0.00 C ATOM 147 CG LYS A 9 -1.451 9.477 -0.544 1.00 0.00 C ATOM 148 CD LYS A 9 -1.990 10.774 0.061 1.00 0.00 C ATOM 149 CE LYS A 9 -3.320 11.169 -0.585 1.00 0.00 C ATOM 150 NZ LYS A 9 -3.866 12.386 0.056 1.00 0.00 N ATOM 0 H LYS A 9 1.561 8.196 -1.959 1.00 0.00 H new ATOM 0 HA LYS A 9 0.907 10.715 -0.519 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.097 7.948 0.150 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.196 9.344 1.205 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.257 9.621 -1.607 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.203 8.693 -0.461 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.126 10.649 1.135 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.263 11.574 -0.077 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.175 11.346 -1.651 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.034 10.350 -0.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.768 12.640 -0.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.023 12.205 1.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.191 13.169 -0.055 1.00 0.00 H new ATOM 164 N GLU A 10 2.578 10.156 1.284 1.00 0.00 N ATOM 165 CA GLU A 10 3.777 10.021 2.092 1.00 0.00 C ATOM 166 C GLU A 10 3.453 10.263 3.568 1.00 0.00 C ATOM 167 O GLU A 10 2.776 11.232 3.908 1.00 0.00 O ATOM 168 CB GLU A 10 4.874 10.972 1.609 1.00 0.00 C ATOM 169 CG GLU A 10 6.235 10.579 2.189 1.00 0.00 C ATOM 170 CD GLU A 10 6.540 11.375 3.460 1.00 0.00 C ATOM 171 OE1 GLU A 10 7.058 12.503 3.313 1.00 0.00 O ATOM 172 OE2 GLU A 10 6.248 10.836 4.549 1.00 0.00 O ATOM 0 H GLU A 10 1.934 10.883 1.595 1.00 0.00 H new ATOM 0 HA GLU A 10 4.151 9.003 1.984 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.920 10.956 0.520 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.631 11.993 1.903 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.245 9.512 2.413 1.00 0.00 H new ATOM 0 HG3 GLU A 10 7.015 10.757 1.448 1.00 0.00 H new ATOM 179 N VAL A 11 3.951 9.365 4.405 1.00 0.00 N ATOM 180 CA VAL A 11 3.722 9.468 5.836 1.00 0.00 C ATOM 181 C VAL A 11 5.025 9.168 6.579 1.00 0.00 C ATOM 182 O VAL A 11 5.930 8.545 6.026 1.00 0.00 O ATOM 183 CB VAL A 11 2.572 8.547 6.251 1.00 0.00 C ATOM 184 CG1 VAL A 11 1.222 9.247 6.083 1.00 0.00 C ATOM 185 CG2 VAL A 11 2.611 7.235 5.466 1.00 0.00 C ATOM 0 H VAL A 11 4.512 8.563 4.120 1.00 0.00 H new ATOM 0 HA VAL A 11 3.421 10.481 6.102 1.00 0.00 H new ATOM 0 HB VAL A 11 2.697 8.309 7.307 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.422 8.571 6.385 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.196 10.141 6.706 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.085 9.528 5.039 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.784 6.599 5.780 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.523 7.446 4.400 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.555 6.724 5.658 1.00 0.00 H new ATOM 195 N ARG A 12 5.080 9.626 7.822 1.00 0.00 N ATOM 196 CA ARG A 12 6.257 9.415 8.646 1.00 0.00 C ATOM 197 C ARG A 12 5.871 8.723 9.955 1.00 0.00 C ATOM 198 O ARG A 12 4.985 9.189 10.670 1.00 0.00 O ATOM 199 CB ARG A 12 6.953 10.740 8.964 1.00 0.00 C ATOM 200 CG ARG A 12 8.173 10.518 9.859 1.00 0.00 C ATOM 201 CD ARG A 12 8.407 11.722 10.775 1.00 0.00 C ATOM 202 NE ARG A 12 8.350 11.298 12.192 1.00 0.00 N ATOM 203 CZ ARG A 12 7.220 11.212 12.906 1.00 0.00 C ATOM 204 NH1 ARG A 12 6.045 11.519 12.339 1.00 0.00 N ATOM 205 NH2 ARG A 12 7.264 10.818 14.186 1.00 0.00 N ATOM 0 H ARG A 12 4.328 10.142 8.278 1.00 0.00 H new ATOM 0 HA ARG A 12 6.945 8.782 8.085 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.261 11.225 8.037 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.253 11.413 9.458 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.028 9.621 10.461 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.055 10.349 9.242 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.377 12.170 10.560 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.653 12.486 10.585 1.00 0.00 H new ATOM 0 HE ARG A 12 9.227 11.056 12.654 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.012 11.818 11.364 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.184 11.454 12.882 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.158 10.583 14.617 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.403 10.753 14.729 1.00 0.00 H new ATOM 219 N PHE A 13 6.556 7.622 10.230 1.00 0.00 N ATOM 220 CA PHE A 13 6.296 6.862 11.440 1.00 0.00 C ATOM 221 C PHE A 13 7.574 6.686 12.263 1.00 0.00 C ATOM 222 O PHE A 13 8.658 6.521 11.705 1.00 0.00 O ATOM 223 CB PHE A 13 5.792 5.485 11.004 1.00 0.00 C ATOM 224 CG PHE A 13 4.541 5.530 10.123 1.00 0.00 C ATOM 225 CD1 PHE A 13 3.650 6.548 10.260 1.00 0.00 C ATOM 226 CD2 PHE A 13 4.322 4.553 9.203 1.00 0.00 C ATOM 227 CE1 PHE A 13 2.489 6.590 9.443 1.00 0.00 C ATOM 228 CE2 PHE A 13 3.161 4.595 8.386 1.00 0.00 C ATOM 229 CZ PHE A 13 2.270 5.613 8.523 1.00 0.00 C ATOM 0 H PHE A 13 7.291 7.239 9.635 1.00 0.00 H new ATOM 0 HA PHE A 13 5.567 7.386 12.058 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.587 4.973 10.462 1.00 0.00 H new ATOM 0 HB3 PHE A 13 5.577 4.890 11.892 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.825 7.324 10.990 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.031 3.745 9.094 1.00 0.00 H new ATOM 0 HE1 PHE A 13 1.780 7.398 9.552 1.00 0.00 H new ATOM 0 HE2 PHE A 13 2.986 3.819 7.656 1.00 0.00 H new ATOM 0 HZ PHE A 13 1.388 5.646 7.901 1.00 0.00 H new ATOM 239 N ASN A 14 7.405 6.729 13.576 1.00 0.00 N ATOM 240 CA ASN A 14 8.531 6.577 14.481 1.00 0.00 C ATOM 241 C ASN A 14 8.786 5.088 14.725 1.00 0.00 C ATOM 242 O ASN A 14 8.111 4.465 15.542 1.00 0.00 O ATOM 243 CB ASN A 14 8.245 7.235 15.832 1.00 0.00 C ATOM 244 CG ASN A 14 9.236 8.367 16.112 1.00 0.00 C ATOM 245 OD1 ASN A 14 10.353 8.384 15.621 1.00 0.00 O ATOM 246 ND2 ASN A 14 8.767 9.308 16.926 1.00 0.00 N ATOM 0 H ASN A 14 6.505 6.867 14.035 1.00 0.00 H new ATOM 0 HA ASN A 14 9.398 7.054 14.024 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.228 7.627 15.842 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.307 6.489 16.624 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.352 10.106 17.174 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.822 9.232 17.302 1.00 0.00 H new ATOM 253 N ALA A 15 9.764 4.562 14.002 1.00 0.00 N ATOM 254 CA ALA A 15 10.117 3.158 14.130 1.00 0.00 C ATOM 255 C ALA A 15 11.312 2.853 13.225 1.00 0.00 C ATOM 256 O ALA A 15 11.626 3.628 12.323 1.00 0.00 O ATOM 257 CB ALA A 15 8.899 2.293 13.799 1.00 0.00 C ATOM 0 H ALA A 15 10.323 5.083 13.326 1.00 0.00 H new ATOM 0 HA ALA A 15 10.412 2.928 15.154 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.164 1.240 13.895 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.088 2.528 14.488 1.00 0.00 H new ATOM 0 HB3 ALA A 15 8.576 2.494 12.777 1.00 0.00 H new ATOM 263 N PRO A 16 11.962 1.691 13.503 1.00 0.00 N ATOM 264 CA PRO A 16 13.115 1.274 12.725 1.00 0.00 C ATOM 265 C PRO A 16 12.689 0.746 11.353 1.00 0.00 C ATOM 266 O PRO A 16 11.794 -0.092 11.257 1.00 0.00 O ATOM 267 CB PRO A 16 13.806 0.222 13.577 1.00 0.00 C ATOM 268 CG PRO A 16 12.767 -0.246 14.585 1.00 0.00 C ATOM 269 CD PRO A 16 11.617 0.748 14.563 1.00 0.00 C ATOM 0 HA PRO A 16 13.794 2.098 12.505 1.00 0.00 H new ATOM 0 HB2 PRO A 16 14.157 -0.608 12.964 1.00 0.00 H new ATOM 0 HB3 PRO A 16 14.679 0.638 14.080 1.00 0.00 H new ATOM 0 HG2 PRO A 16 12.413 -1.245 14.332 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.202 -0.305 15.583 1.00 0.00 H new ATOM 0 HD2 PRO A 16 10.668 0.252 14.358 1.00 0.00 H new ATOM 0 HD3 PRO A 16 11.512 1.253 15.523 1.00 0.00 H new ATOM 277 N ILE A 17 13.350 1.260 10.326 1.00 0.00 N ATOM 278 CA ILE A 17 13.051 0.851 8.964 1.00 0.00 C ATOM 279 C ILE A 17 13.079 -0.676 8.877 1.00 0.00 C ATOM 280 O ILE A 17 12.401 -1.266 8.037 1.00 0.00 O ATOM 281 CB ILE A 17 13.996 1.541 7.978 1.00 0.00 C ATOM 282 CG1 ILE A 17 13.659 1.156 6.536 1.00 0.00 C ATOM 283 CG2 ILE A 17 15.458 1.248 8.323 1.00 0.00 C ATOM 284 CD1 ILE A 17 14.162 2.217 5.554 1.00 0.00 C ATOM 0 H ILE A 17 14.091 1.956 10.410 1.00 0.00 H new ATOM 0 HA ILE A 17 12.047 1.168 8.682 1.00 0.00 H new ATOM 0 HB ILE A 17 13.855 2.618 8.066 1.00 0.00 H new ATOM 0 HG12 ILE A 17 14.109 0.192 6.298 1.00 0.00 H new ATOM 0 HG13 ILE A 17 12.581 1.039 6.430 1.00 0.00 H new ATOM 0 HG21 ILE A 17 16.109 1.750 7.607 1.00 0.00 H new ATOM 0 HG22 ILE A 17 15.675 1.612 9.327 1.00 0.00 H new ATOM 0 HG23 ILE A 17 15.633 0.173 8.281 1.00 0.00 H new ATOM 0 HD11 ILE A 17 13.910 1.919 4.536 1.00 0.00 H new ATOM 0 HD12 ILE A 17 13.691 3.174 5.779 1.00 0.00 H new ATOM 0 HD13 ILE A 17 15.244 2.314 5.646 1.00 0.00 H new ATOM 296 N GLU A 18 13.871 -1.273 9.755 1.00 0.00 N ATOM 297 CA GLU A 18 13.996 -2.720 9.788 1.00 0.00 C ATOM 298 C GLU A 18 12.654 -3.361 10.145 1.00 0.00 C ATOM 299 O GLU A 18 12.338 -4.453 9.673 1.00 0.00 O ATOM 300 CB GLU A 18 15.089 -3.154 10.767 1.00 0.00 C ATOM 301 CG GLU A 18 15.979 -4.236 10.152 1.00 0.00 C ATOM 302 CD GLU A 18 15.725 -5.594 10.810 1.00 0.00 C ATOM 303 OE1 GLU A 18 14.537 -5.975 10.885 1.00 0.00 O ATOM 304 OE2 GLU A 18 16.725 -6.220 11.223 1.00 0.00 O ATOM 0 H GLU A 18 14.433 -0.781 10.449 1.00 0.00 H new ATOM 0 HA GLU A 18 14.287 -3.062 8.795 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.697 -2.293 11.044 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.633 -3.530 11.683 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.787 -4.305 9.081 1.00 0.00 H new ATOM 0 HG3 GLU A 18 17.027 -3.961 10.271 1.00 0.00 H new ATOM 311 N LYS A 19 11.900 -2.656 10.975 1.00 0.00 N ATOM 312 CA LYS A 19 10.598 -3.143 11.401 1.00 0.00 C ATOM 313 C LYS A 19 9.577 -2.895 10.289 1.00 0.00 C ATOM 314 O LYS A 19 8.904 -3.822 9.841 1.00 0.00 O ATOM 315 CB LYS A 19 10.207 -2.523 12.744 1.00 0.00 C ATOM 316 CG LYS A 19 9.124 -3.352 13.436 1.00 0.00 C ATOM 317 CD LYS A 19 9.103 -3.079 14.941 1.00 0.00 C ATOM 318 CE LYS A 19 8.627 -4.311 15.715 1.00 0.00 C ATOM 319 NZ LYS A 19 7.176 -4.218 15.994 1.00 0.00 N ATOM 0 H LYS A 19 12.165 -1.751 11.364 1.00 0.00 H new ATOM 0 HA LYS A 19 10.631 -4.219 11.570 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.085 -2.456 13.387 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.847 -1.506 12.588 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.150 -3.116 13.006 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.303 -4.412 13.258 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.101 -2.797 15.277 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.445 -2.236 15.152 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.836 -5.213 15.139 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.179 -4.396 16.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.869 -5.061 16.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.985 -3.368 16.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.653 -4.160 15.097 1.00 0.00 H new ATOM 333 N VAL A 20 9.494 -1.639 9.874 1.00 0.00 N ATOM 334 CA VAL A 20 8.566 -1.258 8.823 1.00 0.00 C ATOM 335 C VAL A 20 8.781 -2.161 7.607 1.00 0.00 C ATOM 336 O VAL A 20 7.820 -2.617 6.990 1.00 0.00 O ATOM 337 CB VAL A 20 8.725 0.229 8.499 1.00 0.00 C ATOM 338 CG1 VAL A 20 7.579 0.723 7.613 1.00 0.00 C ATOM 339 CG2 VAL A 20 8.827 1.061 9.779 1.00 0.00 C ATOM 0 H VAL A 20 10.054 -0.873 10.247 1.00 0.00 H new ATOM 0 HA VAL A 20 7.537 -1.397 9.153 1.00 0.00 H new ATOM 0 HB VAL A 20 9.655 0.353 7.944 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.716 1.783 7.398 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.573 0.161 6.679 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.631 0.578 8.130 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.939 2.114 9.521 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.923 0.928 10.373 1.00 0.00 H new ATOM 0 HG23 VAL A 20 9.692 0.735 10.357 1.00 0.00 H new ATOM 349 N TRP A 21 10.049 -2.392 7.298 1.00 0.00 N ATOM 350 CA TRP A 21 10.402 -3.233 6.167 1.00 0.00 C ATOM 351 C TRP A 21 9.818 -4.626 6.412 1.00 0.00 C ATOM 352 O TRP A 21 9.101 -5.159 5.566 1.00 0.00 O ATOM 353 CB TRP A 21 11.917 -3.250 5.948 1.00 0.00 C ATOM 354 CG TRP A 21 12.353 -3.970 4.671 1.00 0.00 C ATOM 355 CD1 TRP A 21 13.217 -4.987 4.552 1.00 0.00 C ATOM 356 CD2 TRP A 21 11.908 -3.685 3.328 1.00 0.00 C ATOM 357 NE1 TRP A 21 13.361 -5.377 3.236 1.00 0.00 N ATOM 358 CE2 TRP A 21 12.539 -4.560 2.468 1.00 0.00 C ATOM 359 CE3 TRP A 21 11.001 -2.720 2.856 1.00 0.00 C ATOM 360 CZ2 TRP A 21 12.332 -4.557 1.083 1.00 0.00 C ATOM 361 CZ3 TRP A 21 10.805 -2.730 1.470 1.00 0.00 C ATOM 362 CH2 TRP A 21 11.433 -3.604 0.590 1.00 0.00 C ATOM 0 H TRP A 21 10.844 -2.011 7.811 1.00 0.00 H new ATOM 0 HA TRP A 21 9.979 -2.836 5.244 1.00 0.00 H new ATOM 0 HB2 TRP A 21 12.281 -2.223 5.916 1.00 0.00 H new ATOM 0 HB3 TRP A 21 12.392 -3.730 6.804 1.00 0.00 H new ATOM 0 HD1 TRP A 21 13.736 -5.444 5.382 1.00 0.00 H new ATOM 0 HE1 TRP A 21 13.960 -6.127 2.890 1.00 0.00 H new ATOM 0 HE3 TRP A 21 10.495 -2.026 3.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 12.839 -5.253 0.430 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 10.117 -2.008 1.055 1.00 0.00 H new ATOM 0 HH2 TRP A 21 11.228 -3.548 -0.469 1.00 0.00 H new ATOM 373 N GLU A 22 10.145 -5.174 7.572 1.00 0.00 N ATOM 374 CA GLU A 22 9.662 -6.494 7.939 1.00 0.00 C ATOM 375 C GLU A 22 8.132 -6.513 7.957 1.00 0.00 C ATOM 376 O GLU A 22 7.518 -7.565 7.784 1.00 0.00 O ATOM 377 CB GLU A 22 10.232 -6.932 9.290 1.00 0.00 C ATOM 378 CG GLU A 22 11.037 -8.225 9.152 1.00 0.00 C ATOM 379 CD GLU A 22 11.105 -8.973 10.485 1.00 0.00 C ATOM 380 OE1 GLU A 22 11.355 -8.294 11.505 1.00 0.00 O ATOM 381 OE2 GLU A 22 10.907 -10.207 10.455 1.00 0.00 O ATOM 0 H GLU A 22 10.739 -4.728 8.271 1.00 0.00 H new ATOM 0 HA GLU A 22 10.006 -7.206 7.189 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.869 -6.144 9.693 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.419 -7.080 10.001 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.580 -8.863 8.396 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.045 -7.995 8.808 1.00 0.00 H new ATOM 388 N ALA A 23 7.560 -5.337 8.169 1.00 0.00 N ATOM 389 CA ALA A 23 6.114 -5.205 8.213 1.00 0.00 C ATOM 390 C ALA A 23 5.585 -4.971 6.796 1.00 0.00 C ATOM 391 O ALA A 23 4.380 -5.052 6.559 1.00 0.00 O ATOM 392 CB ALA A 23 5.733 -4.075 9.172 1.00 0.00 C ATOM 0 H ALA A 23 8.072 -4.467 8.312 1.00 0.00 H new ATOM 0 HA ALA A 23 5.656 -6.120 8.589 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.648 -3.976 9.205 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.107 -4.303 10.170 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.172 -3.140 8.825 1.00 0.00 H new ATOM 398 N VAL A 24 6.510 -4.686 5.893 1.00 0.00 N ATOM 399 CA VAL A 24 6.152 -4.439 4.506 1.00 0.00 C ATOM 400 C VAL A 24 6.909 -5.418 3.607 1.00 0.00 C ATOM 401 O VAL A 24 6.993 -5.217 2.396 1.00 0.00 O ATOM 402 CB VAL A 24 6.415 -2.975 4.150 1.00 0.00 C ATOM 403 CG1 VAL A 24 5.826 -2.039 5.208 1.00 0.00 C ATOM 404 CG2 VAL A 24 7.911 -2.716 3.961 1.00 0.00 C ATOM 0 H VAL A 24 7.508 -4.620 6.094 1.00 0.00 H new ATOM 0 HA VAL A 24 5.087 -4.611 4.350 1.00 0.00 H new ATOM 0 HB VAL A 24 5.917 -2.766 3.203 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.027 -1.004 4.931 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.749 -2.195 5.273 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.282 -2.251 6.175 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.070 -1.668 3.709 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.440 -2.951 4.884 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.290 -3.345 3.155 1.00 0.00 H new ATOM 414 N SER A 25 7.442 -6.457 4.233 1.00 0.00 N ATOM 415 CA SER A 25 8.189 -7.468 3.505 1.00 0.00 C ATOM 416 C SER A 25 7.719 -8.865 3.915 1.00 0.00 C ATOM 417 O SER A 25 8.382 -9.858 3.623 1.00 0.00 O ATOM 418 CB SER A 25 9.693 -7.322 3.747 1.00 0.00 C ATOM 419 OG SER A 25 10.120 -8.041 4.901 1.00 0.00 O ATOM 0 H SER A 25 7.371 -6.620 5.237 1.00 0.00 H new ATOM 0 HA SER A 25 8.004 -7.328 2.440 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.237 -7.682 2.874 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.941 -6.267 3.865 1.00 0.00 H new ATOM 0 HG SER A 25 11.086 -7.924 5.021 1.00 0.00 H new ATOM 425 N THR A 26 6.577 -8.896 4.587 1.00 0.00 N ATOM 426 CA THR A 26 6.009 -10.154 5.040 1.00 0.00 C ATOM 427 C THR A 26 4.520 -10.222 4.698 1.00 0.00 C ATOM 428 O THR A 26 3.898 -9.200 4.412 1.00 0.00 O ATOM 429 CB THR A 26 6.295 -10.289 6.537 1.00 0.00 C ATOM 430 OG1 THR A 26 5.794 -9.079 7.097 1.00 0.00 O ATOM 431 CG2 THR A 26 7.792 -10.254 6.853 1.00 0.00 C ATOM 0 H THR A 26 6.030 -8.070 4.828 1.00 0.00 H new ATOM 0 HA THR A 26 6.466 -11.001 4.528 1.00 0.00 H new ATOM 0 HB THR A 26 5.868 -11.222 6.905 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.477 -8.679 7.675 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.939 -10.354 7.928 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.291 -11.076 6.341 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.213 -9.307 6.515 1.00 0.00 H new ATOM 439 N SER A 27 3.991 -11.436 4.738 1.00 0.00 N ATOM 440 CA SER A 27 2.586 -11.650 4.436 1.00 0.00 C ATOM 441 C SER A 27 1.722 -11.209 5.620 1.00 0.00 C ATOM 442 O SER A 27 0.678 -10.587 5.433 1.00 0.00 O ATOM 443 CB SER A 27 2.313 -13.117 4.097 1.00 0.00 C ATOM 444 OG SER A 27 3.067 -13.554 2.971 1.00 0.00 O ATOM 0 H SER A 27 4.510 -12.281 4.975 1.00 0.00 H new ATOM 0 HA SER A 27 2.329 -11.049 3.564 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.555 -13.739 4.959 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.250 -13.251 3.896 1.00 0.00 H new ATOM 0 HG SER A 27 3.972 -13.181 3.019 1.00 0.00 H new ATOM 450 N GLU A 28 2.190 -11.549 6.812 1.00 0.00 N ATOM 451 CA GLU A 28 1.474 -11.196 8.025 1.00 0.00 C ATOM 452 C GLU A 28 1.623 -9.701 8.314 1.00 0.00 C ATOM 453 O GLU A 28 0.750 -9.094 8.932 1.00 0.00 O ATOM 454 CB GLU A 28 1.958 -12.034 9.211 1.00 0.00 C ATOM 455 CG GLU A 28 0.823 -12.889 9.777 1.00 0.00 C ATOM 456 CD GLU A 28 0.791 -12.817 11.305 1.00 0.00 C ATOM 457 OE1 GLU A 28 1.887 -12.679 11.889 1.00 0.00 O ATOM 458 OE2 GLU A 28 -0.329 -12.902 11.854 1.00 0.00 O ATOM 0 H GLU A 28 3.057 -12.065 6.963 1.00 0.00 H new ATOM 0 HA GLU A 28 0.416 -11.414 7.875 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.780 -12.677 8.895 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.347 -11.378 9.990 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.130 -12.548 9.373 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.951 -13.924 9.461 1.00 0.00 H new ATOM 465 N GLY A 29 2.736 -9.150 7.852 1.00 0.00 N ATOM 466 CA GLY A 29 3.010 -7.737 8.052 1.00 0.00 C ATOM 467 C GLY A 29 2.192 -6.877 7.087 1.00 0.00 C ATOM 468 O GLY A 29 1.683 -5.823 7.468 1.00 0.00 O ATOM 0 H GLY A 29 3.458 -9.656 7.340 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.776 -7.460 9.080 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.073 -7.545 7.904 1.00 0.00 H new ATOM 472 N LEU A 30 2.089 -7.359 5.857 1.00 0.00 N ATOM 473 CA LEU A 30 1.341 -6.647 4.835 1.00 0.00 C ATOM 474 C LEU A 30 -0.156 -6.762 5.132 1.00 0.00 C ATOM 475 O LEU A 30 -0.846 -5.751 5.259 1.00 0.00 O ATOM 476 CB LEU A 30 1.731 -7.145 3.442 1.00 0.00 C ATOM 477 CG LEU A 30 2.688 -6.248 2.653 1.00 0.00 C ATOM 478 CD1 LEU A 30 3.847 -7.060 2.073 1.00 0.00 C ATOM 479 CD2 LEU A 30 1.940 -5.465 1.572 1.00 0.00 C ATOM 0 H LEU A 30 2.511 -8.234 5.545 1.00 0.00 H new ATOM 0 HA LEU A 30 1.589 -5.586 4.851 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.188 -8.129 3.544 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.821 -7.276 2.856 1.00 0.00 H new ATOM 0 HG LEU A 30 3.117 -5.519 3.340 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.512 -6.399 1.517 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.401 -7.534 2.884 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.455 -7.827 1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.643 -4.836 1.026 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.465 -6.162 0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.178 -4.839 2.037 1.00 0.00 H new ATOM 491 N ALA A 31 -0.613 -8.001 5.234 1.00 0.00 N ATOM 492 CA ALA A 31 -2.015 -8.260 5.513 1.00 0.00 C ATOM 493 C ALA A 31 -2.414 -7.544 6.805 1.00 0.00 C ATOM 494 O ALA A 31 -3.599 -7.339 7.065 1.00 0.00 O ATOM 495 CB ALA A 31 -2.250 -9.770 5.588 1.00 0.00 C ATOM 0 H ALA A 31 -0.037 -8.836 5.128 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.644 -7.871 4.712 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.302 -9.965 5.797 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.979 -10.228 4.637 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.637 -10.195 6.383 1.00 0.00 H new ATOM 501 N PHE A 32 -1.403 -7.182 7.580 1.00 0.00 N ATOM 502 CA PHE A 32 -1.633 -6.493 8.839 1.00 0.00 C ATOM 503 C PHE A 32 -2.312 -5.142 8.607 1.00 0.00 C ATOM 504 O PHE A 32 -2.972 -4.613 9.501 1.00 0.00 O ATOM 505 CB PHE A 32 -0.263 -6.259 9.478 1.00 0.00 C ATOM 506 CG PHE A 32 -0.218 -6.552 10.979 1.00 0.00 C ATOM 507 CD1 PHE A 32 -1.305 -6.294 11.754 1.00 0.00 C ATOM 508 CD2 PHE A 32 0.908 -7.069 11.538 1.00 0.00 C ATOM 509 CE1 PHE A 32 -1.264 -6.566 13.148 1.00 0.00 C ATOM 510 CE2 PHE A 32 0.950 -7.341 12.931 1.00 0.00 C ATOM 511 CZ PHE A 32 -0.137 -7.083 13.706 1.00 0.00 C ATOM 0 H PHE A 32 -0.422 -7.353 7.361 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.282 -7.091 9.478 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.473 -6.885 8.974 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.032 -5.223 9.311 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.199 -5.882 11.310 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.771 -7.273 10.922 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.127 -6.362 13.764 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.845 -7.752 13.375 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.105 -7.289 14.766 1.00 0.00 H new ATOM 521 N TRP A 33 -2.128 -4.621 7.403 1.00 0.00 N ATOM 522 CA TRP A 33 -2.715 -3.342 7.042 1.00 0.00 C ATOM 523 C TRP A 33 -3.337 -3.482 5.652 1.00 0.00 C ATOM 524 O TRP A 33 -4.491 -3.109 5.444 1.00 0.00 O ATOM 525 CB TRP A 33 -1.677 -2.221 7.122 1.00 0.00 C ATOM 526 CG TRP A 33 -0.417 -2.478 6.293 1.00 0.00 C ATOM 527 CD1 TRP A 33 0.672 -3.176 6.641 1.00 0.00 C ATOM 528 CD2 TRP A 33 -0.160 -2.009 4.952 1.00 0.00 C ATOM 529 NE1 TRP A 33 1.609 -3.191 5.628 1.00 0.00 N ATOM 530 CE2 TRP A 33 1.086 -2.459 4.568 1.00 0.00 C ATOM 531 CE3 TRP A 33 -0.955 -1.231 4.092 1.00 0.00 C ATOM 532 CZ2 TRP A 33 1.649 -2.182 3.316 1.00 0.00 C ATOM 533 CZ3 TRP A 33 -0.378 -0.963 2.845 1.00 0.00 C ATOM 534 CH2 TRP A 33 0.875 -1.408 2.443 1.00 0.00 C ATOM 0 H TRP A 33 -1.580 -5.062 6.664 1.00 0.00 H new ATOM 0 HA TRP A 33 -3.499 -3.065 7.747 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -2.136 -1.291 6.787 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -1.391 -2.079 8.164 1.00 0.00 H new ATOM 0 HD1 TRP A 33 0.801 -3.666 7.595 1.00 0.00 H new ATOM 0 HE1 TRP A 33 2.518 -3.654 5.652 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -1.933 -0.869 4.371 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.627 -2.546 3.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.947 -0.368 2.146 1.00 0.00 H new ATOM 0 HH2 TRP A 33 1.250 -1.158 1.462 1.00 0.00 H new ATOM 545 N PHE A 34 -2.546 -4.021 4.736 1.00 0.00 N ATOM 546 CA PHE A 34 -3.005 -4.215 3.371 1.00 0.00 C ATOM 547 C PHE A 34 -4.102 -5.281 3.308 1.00 0.00 C ATOM 548 O PHE A 34 -5.286 -4.964 3.405 1.00 0.00 O ATOM 549 CB PHE A 34 -1.801 -4.691 2.557 1.00 0.00 C ATOM 550 CG PHE A 34 -2.163 -5.260 1.184 1.00 0.00 C ATOM 551 CD1 PHE A 34 -3.051 -4.605 0.389 1.00 0.00 C ATOM 552 CD2 PHE A 34 -1.597 -6.421 0.758 1.00 0.00 C ATOM 553 CE1 PHE A 34 -3.387 -5.133 -0.885 1.00 0.00 C ATOM 554 CE2 PHE A 34 -1.933 -6.950 -0.516 1.00 0.00 C ATOM 555 CZ PHE A 34 -2.821 -6.295 -1.311 1.00 0.00 C ATOM 0 H PHE A 34 -1.590 -4.330 4.912 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.417 -3.284 2.981 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.113 -3.856 2.423 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.269 -5.454 3.126 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.501 -3.683 0.727 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.892 -6.941 1.389 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.092 -4.613 -1.516 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.484 -7.872 -0.854 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.077 -6.697 -2.280 1.00 0.00 H new ATOM 565 N MET A 35 -3.667 -6.522 3.145 1.00 0.00 N ATOM 566 CA MET A 35 -4.597 -7.636 3.067 1.00 0.00 C ATOM 567 C MET A 35 -3.850 -8.969 2.996 1.00 0.00 C ATOM 568 O MET A 35 -2.665 -9.004 2.669 1.00 0.00 O ATOM 569 CB MET A 35 -5.481 -7.478 1.828 1.00 0.00 C ATOM 570 CG MET A 35 -6.865 -6.948 2.206 1.00 0.00 C ATOM 571 SD MET A 35 -7.294 -5.564 1.163 1.00 0.00 S ATOM 572 CE MET A 35 -7.191 -6.341 -0.441 1.00 0.00 C ATOM 0 H MET A 35 -2.684 -6.781 3.065 1.00 0.00 H new ATOM 0 HA MET A 35 -5.214 -7.634 3.966 1.00 0.00 H new ATOM 0 HB2 MET A 35 -5.006 -6.796 1.123 1.00 0.00 H new ATOM 0 HB3 MET A 35 -5.581 -8.439 1.323 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.608 -7.738 2.099 1.00 0.00 H new ATOM 0 HG3 MET A 35 -6.873 -6.642 3.252 1.00 0.00 H new ATOM 0 HE1 MET A 35 -8.018 -6.000 -1.064 1.00 0.00 H new ATOM 0 HE2 MET A 35 -6.246 -6.074 -0.914 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.246 -7.423 -0.325 1.00 0.00 H new ATOM 582 N GLU A 36 -4.575 -10.034 3.307 1.00 0.00 N ATOM 583 CA GLU A 36 -3.996 -11.367 3.282 1.00 0.00 C ATOM 584 C GLU A 36 -3.260 -11.601 1.961 1.00 0.00 C ATOM 585 O GLU A 36 -3.715 -11.161 0.906 1.00 0.00 O ATOM 586 CB GLU A 36 -5.067 -12.435 3.510 1.00 0.00 C ATOM 587 CG GLU A 36 -5.490 -12.482 4.980 1.00 0.00 C ATOM 588 CD GLU A 36 -5.426 -13.911 5.523 1.00 0.00 C ATOM 589 OE1 GLU A 36 -4.330 -14.504 5.430 1.00 0.00 O ATOM 590 OE2 GLU A 36 -6.474 -14.377 6.019 1.00 0.00 O ATOM 0 H GLU A 36 -5.558 -10.001 3.578 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.275 -11.444 4.096 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.935 -12.224 2.885 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.684 -13.409 3.207 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.840 -11.835 5.570 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.504 -12.095 5.083 1.00 0.00 H new ATOM 597 N ASN A 37 -2.135 -12.294 2.062 1.00 0.00 N ATOM 598 CA ASN A 37 -1.332 -12.592 0.888 1.00 0.00 C ATOM 599 C ASN A 37 -0.265 -13.625 1.255 1.00 0.00 C ATOM 600 O ASN A 37 -0.181 -14.055 2.404 1.00 0.00 O ATOM 601 CB ASN A 37 -0.621 -11.339 0.374 1.00 0.00 C ATOM 602 CG ASN A 37 0.309 -10.759 1.442 1.00 0.00 C ATOM 603 OD1 ASN A 37 1.510 -10.974 1.439 1.00 0.00 O ATOM 604 ND2 ASN A 37 -0.311 -10.016 2.354 1.00 0.00 N ATOM 0 H ASN A 37 -1.761 -12.658 2.938 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.997 -12.972 0.112 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -0.047 -11.583 -0.520 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.359 -10.591 0.084 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.222 -9.586 3.110 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.320 -9.876 2.298 1.00 0.00 H new ATOM 611 N ASP A 38 0.525 -13.993 0.256 1.00 0.00 N ATOM 612 CA ASP A 38 1.583 -14.967 0.459 1.00 0.00 C ATOM 613 C ASP A 38 2.911 -14.379 -0.021 1.00 0.00 C ATOM 614 O ASP A 38 3.777 -15.105 -0.507 1.00 0.00 O ATOM 615 CB ASP A 38 1.316 -16.245 -0.339 1.00 0.00 C ATOM 616 CG ASP A 38 1.660 -17.546 0.390 1.00 0.00 C ATOM 617 OD1 ASP A 38 2.560 -17.491 1.256 1.00 0.00 O ATOM 618 OD2 ASP A 38 1.015 -18.566 0.064 1.00 0.00 O ATOM 0 H ASP A 38 0.453 -13.634 -0.696 1.00 0.00 H new ATOM 0 HA ASP A 38 1.621 -15.207 1.522 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.262 -16.269 -0.616 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.888 -16.203 -1.266 1.00 0.00 H new ATOM 623 N LEU A 39 3.030 -13.068 0.131 1.00 0.00 N ATOM 624 CA LEU A 39 4.238 -12.373 -0.281 1.00 0.00 C ATOM 625 C LEU A 39 5.401 -12.806 0.614 1.00 0.00 C ATOM 626 O LEU A 39 5.192 -13.211 1.757 1.00 0.00 O ATOM 627 CB LEU A 39 4.007 -10.861 -0.300 1.00 0.00 C ATOM 628 CG LEU A 39 5.207 -10.004 -0.708 1.00 0.00 C ATOM 629 CD1 LEU A 39 4.802 -8.951 -1.742 1.00 0.00 C ATOM 630 CD2 LEU A 39 5.874 -9.376 0.518 1.00 0.00 C ATOM 0 H LEU A 39 2.310 -12.469 0.534 1.00 0.00 H new ATOM 0 HA LEU A 39 4.503 -12.644 -1.303 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.185 -10.648 -0.983 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.685 -10.550 0.694 1.00 0.00 H new ATOM 0 HG LEU A 39 5.945 -10.652 -1.180 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.673 -8.355 -2.015 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.408 -9.446 -2.630 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.036 -8.301 -1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.724 -8.772 0.200 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.155 -8.745 1.040 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.219 -10.164 1.188 1.00 0.00 H new ATOM 642 N LYS A 40 6.601 -12.707 0.060 1.00 0.00 N ATOM 643 CA LYS A 40 7.797 -13.083 0.794 1.00 0.00 C ATOM 644 C LYS A 40 8.964 -12.202 0.344 1.00 0.00 C ATOM 645 O LYS A 40 10.124 -12.592 0.469 1.00 0.00 O ATOM 646 CB LYS A 40 8.066 -14.582 0.648 1.00 0.00 C ATOM 647 CG LYS A 40 8.361 -15.222 2.007 1.00 0.00 C ATOM 648 CD LYS A 40 7.957 -16.697 2.018 1.00 0.00 C ATOM 649 CE LYS A 40 6.611 -16.892 2.719 1.00 0.00 C ATOM 650 NZ LYS A 40 6.685 -18.014 3.681 1.00 0.00 N ATOM 0 H LYS A 40 6.770 -12.372 -0.888 1.00 0.00 H new ATOM 0 HA LYS A 40 7.659 -12.910 1.861 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.202 -15.067 0.193 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.910 -14.740 -0.023 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.423 -15.131 2.233 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.822 -14.688 2.789 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.895 -17.068 0.995 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.723 -17.284 2.525 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.330 -15.977 3.240 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.835 -17.090 1.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.763 -18.132 4.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.932 -18.889 3.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.412 -17.810 4.397 1.00 0.00 H new ATOM 664 N ALA A 41 8.617 -11.032 -0.170 1.00 0.00 N ATOM 665 CA ALA A 41 9.621 -10.093 -0.639 1.00 0.00 C ATOM 666 C ALA A 41 10.666 -10.842 -1.468 1.00 0.00 C ATOM 667 O ALA A 41 11.792 -11.047 -1.016 1.00 0.00 O ATOM 668 CB ALA A 41 10.238 -9.365 0.557 1.00 0.00 C ATOM 0 H ALA A 41 7.654 -10.713 -0.272 1.00 0.00 H new ATOM 0 HA ALA A 41 9.169 -9.338 -1.282 1.00 0.00 H new ATOM 0 HB1 ALA A 41 10.991 -8.660 0.205 1.00 0.00 H new ATOM 0 HB2 ALA A 41 9.459 -8.825 1.095 1.00 0.00 H new ATOM 0 HB3 ALA A 41 10.703 -10.091 1.224 1.00 0.00 H new ATOM 674 N GLU A 42 10.257 -11.231 -2.667 1.00 0.00 N ATOM 675 CA GLU A 42 11.144 -11.953 -3.563 1.00 0.00 C ATOM 676 C GLU A 42 10.796 -11.641 -5.019 1.00 0.00 C ATOM 677 O GLU A 42 9.751 -12.058 -5.515 1.00 0.00 O ATOM 678 CB GLU A 42 11.086 -13.458 -3.296 1.00 0.00 C ATOM 679 CG GLU A 42 12.492 -14.055 -3.211 1.00 0.00 C ATOM 680 CD GLU A 42 12.446 -15.498 -2.705 1.00 0.00 C ATOM 681 OE1 GLU A 42 11.718 -15.730 -1.716 1.00 0.00 O ATOM 682 OE2 GLU A 42 13.141 -16.337 -3.319 1.00 0.00 O ATOM 0 H GLU A 42 9.323 -11.060 -3.039 1.00 0.00 H new ATOM 0 HA GLU A 42 12.166 -11.623 -3.375 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.551 -13.645 -2.365 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.525 -13.950 -4.091 1.00 0.00 H new ATOM 0 HG2 GLU A 42 12.963 -14.025 -4.193 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.107 -13.451 -2.544 1.00 0.00 H new ATOM 689 N THR A 43 11.692 -10.909 -5.665 1.00 0.00 N ATOM 690 CA THR A 43 11.493 -10.535 -7.055 1.00 0.00 C ATOM 691 C THR A 43 11.194 -11.774 -7.902 1.00 0.00 C ATOM 692 O THR A 43 11.818 -12.819 -7.723 1.00 0.00 O ATOM 693 CB THR A 43 12.731 -9.766 -7.520 1.00 0.00 C ATOM 694 OG1 THR A 43 12.234 -8.878 -8.517 1.00 0.00 O ATOM 695 CG2 THR A 43 13.724 -10.654 -8.273 1.00 0.00 C ATOM 0 H THR A 43 12.558 -10.565 -5.251 1.00 0.00 H new ATOM 0 HA THR A 43 10.626 -9.884 -7.169 1.00 0.00 H new ATOM 0 HB THR A 43 13.226 -9.319 -6.657 1.00 0.00 H new ATOM 0 HG1 THR A 43 12.971 -8.339 -8.872 1.00 0.00 H new ATOM 0 HG21 THR A 43 14.584 -10.059 -8.581 1.00 0.00 H new ATOM 0 HG22 THR A 43 14.056 -11.462 -7.621 1.00 0.00 H new ATOM 0 HG23 THR A 43 13.240 -11.075 -9.154 1.00 0.00 H new ATOM 703 N GLY A 44 10.239 -11.616 -8.806 1.00 0.00 N ATOM 704 CA GLY A 44 9.849 -12.709 -9.682 1.00 0.00 C ATOM 705 C GLY A 44 9.173 -13.831 -8.891 1.00 0.00 C ATOM 706 O GLY A 44 9.380 -15.009 -9.178 1.00 0.00 O ATOM 0 H GLY A 44 9.723 -10.748 -8.951 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.169 -12.340 -10.450 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.728 -13.099 -10.196 1.00 0.00 H new ATOM 710 N HIS A 45 8.379 -13.425 -7.911 1.00 0.00 N ATOM 711 CA HIS A 45 7.672 -14.381 -7.076 1.00 0.00 C ATOM 712 C HIS A 45 6.170 -14.291 -7.353 1.00 0.00 C ATOM 713 O HIS A 45 5.710 -13.353 -8.002 1.00 0.00 O ATOM 714 CB HIS A 45 8.016 -14.173 -5.600 1.00 0.00 C ATOM 715 CG HIS A 45 7.245 -15.066 -4.658 1.00 0.00 C ATOM 716 ND1 HIS A 45 7.110 -16.429 -4.859 1.00 0.00 N ATOM 717 CD2 HIS A 45 6.570 -14.778 -3.508 1.00 0.00 C ATOM 718 CE1 HIS A 45 6.384 -16.928 -3.869 1.00 0.00 C ATOM 719 NE2 HIS A 45 6.050 -15.903 -3.033 1.00 0.00 N ATOM 0 H HIS A 45 8.210 -12.447 -7.677 1.00 0.00 H new ATOM 0 HA HIS A 45 7.993 -15.393 -7.324 1.00 0.00 H new ATOM 0 HB2 HIS A 45 9.083 -14.347 -5.458 1.00 0.00 H new ATOM 0 HB3 HIS A 45 7.825 -13.133 -5.336 1.00 0.00 H new ATOM 0 HD2 HIS A 45 6.475 -13.800 -3.060 1.00 0.00 H new ATOM 0 HE1 HIS A 45 6.106 -17.964 -3.746 1.00 0.00 H new ATOM 0 HE2 HIS A 45 5.493 -15.987 -2.183 1.00 0.00 H new ATOM 727 N HIS A 46 5.447 -15.280 -6.848 1.00 0.00 N ATOM 728 CA HIS A 46 4.007 -15.324 -7.033 1.00 0.00 C ATOM 729 C HIS A 46 3.325 -15.595 -5.690 1.00 0.00 C ATOM 730 O HIS A 46 3.881 -16.281 -4.834 1.00 0.00 O ATOM 731 CB HIS A 46 3.628 -16.347 -8.107 1.00 0.00 C ATOM 732 CG HIS A 46 2.325 -17.062 -7.841 1.00 0.00 C ATOM 733 ND1 HIS A 46 2.230 -18.165 -7.011 1.00 0.00 N ATOM 734 CD2 HIS A 46 1.065 -16.820 -8.304 1.00 0.00 C ATOM 735 CE1 HIS A 46 0.966 -18.561 -6.983 1.00 0.00 C ATOM 736 NE2 HIS A 46 0.246 -17.726 -7.786 1.00 0.00 N ATOM 0 H HIS A 46 5.832 -16.057 -6.311 1.00 0.00 H new ATOM 0 HA HIS A 46 3.653 -14.358 -7.393 1.00 0.00 H new ATOM 0 HB2 HIS A 46 3.563 -15.840 -9.070 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.426 -17.085 -8.189 1.00 0.00 H new ATOM 0 HD2 HIS A 46 0.782 -16.025 -8.978 1.00 0.00 H new ATOM 0 HE1 HIS A 46 0.575 -19.398 -6.423 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -0.757 -17.788 -7.960 1.00 0.00 H new ATOM 744 N PHE A 47 2.130 -15.041 -5.548 1.00 0.00 N ATOM 745 CA PHE A 47 1.366 -15.214 -4.324 1.00 0.00 C ATOM 746 C PHE A 47 -0.112 -14.887 -4.549 1.00 0.00 C ATOM 747 O PHE A 47 -0.444 -14.033 -5.369 1.00 0.00 O ATOM 748 CB PHE A 47 1.941 -14.238 -3.296 1.00 0.00 C ATOM 749 CG PHE A 47 1.993 -12.786 -3.777 1.00 0.00 C ATOM 750 CD1 PHE A 47 2.848 -12.430 -4.773 1.00 0.00 C ATOM 751 CD2 PHE A 47 1.183 -11.853 -3.210 1.00 0.00 C ATOM 752 CE1 PHE A 47 2.896 -11.083 -5.219 1.00 0.00 C ATOM 753 CE2 PHE A 47 1.231 -10.505 -3.657 1.00 0.00 C ATOM 754 CZ PHE A 47 2.086 -10.149 -4.652 1.00 0.00 C ATOM 0 H PHE A 47 1.672 -14.472 -6.260 1.00 0.00 H new ATOM 0 HA PHE A 47 1.434 -16.248 -3.986 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.341 -14.288 -2.388 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.948 -14.558 -3.030 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.490 -13.172 -5.224 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.503 -12.136 -2.420 1.00 0.00 H new ATOM 0 HE1 PHE A 47 3.576 -10.800 -6.009 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.588 -9.763 -3.206 1.00 0.00 H new ATOM 0 HZ PHE A 47 2.122 -9.125 -4.992 1.00 0.00 H new ATOM 764 N HIS A 48 -0.959 -15.584 -3.805 1.00 0.00 N ATOM 765 CA HIS A 48 -2.393 -15.378 -3.913 1.00 0.00 C ATOM 766 C HIS A 48 -2.816 -14.222 -3.005 1.00 0.00 C ATOM 767 O HIS A 48 -2.011 -13.715 -2.224 1.00 0.00 O ATOM 768 CB HIS A 48 -3.151 -16.673 -3.615 1.00 0.00 C ATOM 769 CG HIS A 48 -3.398 -17.534 -4.831 1.00 0.00 C ATOM 770 ND1 HIS A 48 -2.559 -18.572 -5.197 1.00 0.00 N ATOM 771 CD2 HIS A 48 -4.397 -17.501 -5.760 1.00 0.00 C ATOM 772 CE1 HIS A 48 -3.040 -19.131 -6.298 1.00 0.00 C ATOM 773 NE2 HIS A 48 -4.179 -18.465 -6.645 1.00 0.00 N ATOM 0 H HIS A 48 -0.679 -16.291 -3.126 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.648 -15.102 -4.936 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -2.588 -17.251 -2.882 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -4.109 -16.424 -3.158 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -5.225 -16.808 -5.773 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -2.607 -19.967 -6.827 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -4.766 -18.674 -7.452 1.00 0.00 H new ATOM 781 N LEU A 49 -4.077 -13.838 -3.137 1.00 0.00 N ATOM 782 CA LEU A 49 -4.616 -12.750 -2.338 1.00 0.00 C ATOM 783 C LEU A 49 -6.069 -13.062 -1.975 1.00 0.00 C ATOM 784 O LEU A 49 -6.847 -13.491 -2.826 1.00 0.00 O ATOM 785 CB LEU A 49 -4.435 -11.414 -3.061 1.00 0.00 C ATOM 786 CG LEU A 49 -4.543 -10.160 -2.190 1.00 0.00 C ATOM 787 CD1 LEU A 49 -3.192 -9.811 -1.563 1.00 0.00 C ATOM 788 CD2 LEU A 49 -5.127 -8.990 -2.984 1.00 0.00 C ATOM 0 H LEU A 49 -4.741 -14.261 -3.785 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.066 -12.656 -1.401 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.458 -11.414 -3.544 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.181 -11.348 -3.853 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.233 -10.369 -1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.296 -8.916 -0.949 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.854 -10.640 -0.941 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.462 -9.627 -2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.193 -8.112 -2.342 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.482 -8.770 -3.835 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.122 -9.254 -3.342 1.00 0.00 H new ATOM 800 N GLN A 50 -6.392 -12.834 -0.711 1.00 0.00 N ATOM 801 CA GLN A 50 -7.738 -13.085 -0.225 1.00 0.00 C ATOM 802 C GLN A 50 -8.438 -11.765 0.105 1.00 0.00 C ATOM 803 O GLN A 50 -8.545 -11.389 1.272 1.00 0.00 O ATOM 804 CB GLN A 50 -7.718 -14.013 0.991 1.00 0.00 C ATOM 805 CG GLN A 50 -7.241 -15.414 0.603 1.00 0.00 C ATOM 806 CD GLN A 50 -8.321 -16.460 0.890 1.00 0.00 C ATOM 807 OE1 GLN A 50 -8.376 -17.057 1.953 1.00 0.00 O ATOM 808 NE2 GLN A 50 -9.173 -16.647 -0.113 1.00 0.00 N ATOM 0 H GLN A 50 -5.744 -12.478 -0.008 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.300 -13.585 -1.014 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -7.061 -13.601 1.757 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.716 -14.072 1.425 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.983 -15.434 -0.456 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.335 -15.660 1.157 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -9.070 -16.113 -0.976 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.930 -17.324 -0.019 1.00 0.00 H new ATOM 817 N SER A 51 -8.896 -11.096 -0.943 1.00 0.00 N ATOM 818 CA SER A 51 -9.582 -9.826 -0.780 1.00 0.00 C ATOM 819 C SER A 51 -11.079 -10.064 -0.567 1.00 0.00 C ATOM 820 O SER A 51 -11.563 -11.182 -0.733 1.00 0.00 O ATOM 821 CB SER A 51 -9.355 -8.918 -1.989 1.00 0.00 C ATOM 822 OG SER A 51 -10.507 -8.843 -2.824 1.00 0.00 O ATOM 0 H SER A 51 -8.805 -11.410 -1.909 1.00 0.00 H new ATOM 0 HA SER A 51 -9.172 -9.325 0.097 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.090 -7.918 -1.646 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.511 -9.291 -2.569 1.00 0.00 H new ATOM 0 HG SER A 51 -10.570 -9.656 -3.368 1.00 0.00 H new ATOM 828 N PRO A 52 -11.788 -8.965 -0.195 1.00 0.00 N ATOM 829 CA PRO A 52 -13.219 -9.043 0.042 1.00 0.00 C ATOM 830 C PRO A 52 -13.989 -9.135 -1.277 1.00 0.00 C ATOM 831 O PRO A 52 -15.190 -9.401 -1.283 1.00 0.00 O ATOM 832 CB PRO A 52 -13.555 -7.793 0.840 1.00 0.00 C ATOM 833 CG PRO A 52 -12.395 -6.836 0.622 1.00 0.00 C ATOM 834 CD PRO A 52 -11.248 -7.624 0.011 1.00 0.00 C ATOM 0 HA PRO A 52 -13.506 -9.939 0.592 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -14.493 -7.353 0.501 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -13.676 -8.026 1.898 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.692 -6.021 -0.038 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.089 -6.386 1.566 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.919 -7.181 -0.929 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.383 -7.643 0.674 1.00 0.00 H new ATOM 842 N PHE A 53 -13.266 -8.909 -2.364 1.00 0.00 N ATOM 843 CA PHE A 53 -13.865 -8.962 -3.687 1.00 0.00 C ATOM 844 C PHE A 53 -13.332 -10.156 -4.482 1.00 0.00 C ATOM 845 O PHE A 53 -13.014 -10.027 -5.663 1.00 0.00 O ATOM 846 CB PHE A 53 -13.476 -7.670 -4.407 1.00 0.00 C ATOM 847 CG PHE A 53 -14.587 -7.086 -5.282 1.00 0.00 C ATOM 848 CD1 PHE A 53 -15.024 -7.771 -6.373 1.00 0.00 C ATOM 849 CD2 PHE A 53 -15.138 -5.883 -4.969 1.00 0.00 C ATOM 850 CE1 PHE A 53 -16.055 -7.230 -7.185 1.00 0.00 C ATOM 851 CE2 PHE A 53 -16.170 -5.342 -5.781 1.00 0.00 C ATOM 852 CZ PHE A 53 -16.606 -6.026 -6.872 1.00 0.00 C ATOM 0 H PHE A 53 -12.270 -8.689 -2.356 1.00 0.00 H new ATOM 0 HA PHE A 53 -14.946 -9.070 -3.602 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -13.183 -6.927 -3.665 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -12.601 -7.862 -5.028 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -14.586 -8.727 -6.621 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -14.791 -5.339 -4.103 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -16.402 -7.774 -8.051 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -16.609 -4.387 -5.532 1.00 0.00 H new ATOM 0 HZ PHE A 53 -17.390 -5.614 -7.490 1.00 0.00 H new ATOM 862 N GLY A 54 -13.253 -11.291 -3.803 1.00 0.00 N ATOM 863 CA GLY A 54 -12.764 -12.506 -4.432 1.00 0.00 C ATOM 864 C GLY A 54 -11.235 -12.546 -4.434 1.00 0.00 C ATOM 865 O GLY A 54 -10.583 -11.502 -4.424 1.00 0.00 O ATOM 0 H GLY A 54 -13.519 -11.395 -2.824 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -13.153 -13.376 -3.903 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -13.134 -12.564 -5.456 1.00 0.00 H new ATOM 869 N PRO A 55 -10.692 -13.792 -4.448 1.00 0.00 N ATOM 870 CA PRO A 55 -9.251 -13.982 -4.452 1.00 0.00 C ATOM 871 C PRO A 55 -8.662 -13.672 -5.830 1.00 0.00 C ATOM 872 O PRO A 55 -9.251 -14.016 -6.853 1.00 0.00 O ATOM 873 CB PRO A 55 -9.043 -15.426 -4.028 1.00 0.00 C ATOM 874 CG PRO A 55 -10.375 -16.123 -4.252 1.00 0.00 C ATOM 875 CD PRO A 55 -11.433 -15.051 -4.460 1.00 0.00 C ATOM 0 HA PRO A 55 -8.735 -13.304 -3.772 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.253 -15.895 -4.615 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.742 -15.486 -2.982 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -10.321 -16.780 -5.120 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -10.628 -16.748 -3.395 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -11.959 -15.192 -5.404 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -12.183 -15.076 -3.670 1.00 0.00 H new ATOM 883 N SER A 56 -7.505 -13.025 -5.811 1.00 0.00 N ATOM 884 CA SER A 56 -6.829 -12.665 -7.046 1.00 0.00 C ATOM 885 C SER A 56 -5.326 -12.915 -6.911 1.00 0.00 C ATOM 886 O SER A 56 -4.755 -12.725 -5.838 1.00 0.00 O ATOM 887 CB SER A 56 -7.094 -11.204 -7.413 1.00 0.00 C ATOM 888 OG SER A 56 -7.878 -11.085 -8.597 1.00 0.00 O ATOM 0 H SER A 56 -7.019 -12.741 -4.960 1.00 0.00 H new ATOM 0 HA SER A 56 -7.224 -13.289 -7.847 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.607 -10.710 -6.588 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.144 -10.687 -7.553 1.00 0.00 H new ATOM 0 HG SER A 56 -8.027 -10.137 -8.797 1.00 0.00 H new ATOM 894 N PRO A 57 -4.711 -13.347 -8.044 1.00 0.00 N ATOM 895 CA PRO A 57 -3.285 -13.624 -8.063 1.00 0.00 C ATOM 896 C PRO A 57 -2.474 -12.326 -8.077 1.00 0.00 C ATOM 897 O PRO A 57 -2.982 -11.277 -8.468 1.00 0.00 O ATOM 898 CB PRO A 57 -3.065 -14.474 -9.303 1.00 0.00 C ATOM 899 CG PRO A 57 -4.287 -14.255 -10.181 1.00 0.00 C ATOM 900 CD PRO A 57 -5.355 -13.582 -9.333 1.00 0.00 C ATOM 0 HA PRO A 57 -2.948 -14.151 -7.170 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.153 -14.179 -9.822 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.956 -15.526 -9.041 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.034 -13.634 -11.040 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.652 -15.205 -10.571 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.689 -12.648 -9.785 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.234 -14.217 -9.226 1.00 0.00 H new ATOM 908 N CYS A 58 -1.227 -12.440 -7.645 1.00 0.00 N ATOM 909 CA CYS A 58 -0.341 -11.289 -7.603 1.00 0.00 C ATOM 910 C CYS A 58 1.078 -11.764 -7.921 1.00 0.00 C ATOM 911 O CYS A 58 1.384 -12.948 -7.796 1.00 0.00 O ATOM 912 CB CYS A 58 -0.413 -10.569 -6.255 1.00 0.00 C ATOM 913 SG CYS A 58 -2.105 -9.929 -5.977 1.00 0.00 S ATOM 0 H CYS A 58 -0.809 -13.312 -7.321 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.654 -10.558 -8.348 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -0.138 -11.254 -5.453 1.00 0.00 H new ATOM 0 HB3 CYS A 58 0.303 -9.748 -6.233 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.835 -10.163 -7.026 1.00 0.00 H new ATOM 919 N GLN A 59 1.908 -10.814 -8.327 1.00 0.00 N ATOM 920 CA GLN A 59 3.288 -11.120 -8.664 1.00 0.00 C ATOM 921 C GLN A 59 4.182 -9.908 -8.393 1.00 0.00 C ATOM 922 O GLN A 59 3.860 -8.792 -8.797 1.00 0.00 O ATOM 923 CB GLN A 59 3.409 -11.575 -10.120 1.00 0.00 C ATOM 924 CG GLN A 59 4.874 -11.772 -10.513 1.00 0.00 C ATOM 925 CD GLN A 59 5.057 -13.061 -11.318 1.00 0.00 C ATOM 926 OE1 GLN A 59 4.539 -13.219 -12.411 1.00 0.00 O ATOM 927 NE2 GLN A 59 5.821 -13.970 -10.718 1.00 0.00 N ATOM 0 H GLN A 59 1.651 -9.832 -8.430 1.00 0.00 H new ATOM 0 HA GLN A 59 3.622 -11.942 -8.031 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.863 -12.508 -10.260 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.949 -10.835 -10.775 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.214 -10.920 -11.102 1.00 0.00 H new ATOM 0 HG3 GLN A 59 5.493 -11.808 -9.617 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.224 -13.773 -9.802 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.004 -14.864 -11.174 1.00 0.00 H new ATOM 936 N VAL A 60 5.287 -10.169 -7.710 1.00 0.00 N ATOM 937 CA VAL A 60 6.229 -9.113 -7.380 1.00 0.00 C ATOM 938 C VAL A 60 7.076 -8.787 -8.612 1.00 0.00 C ATOM 939 O VAL A 60 7.476 -9.686 -9.350 1.00 0.00 O ATOM 940 CB VAL A 60 7.070 -9.522 -6.168 1.00 0.00 C ATOM 941 CG1 VAL A 60 7.937 -8.358 -5.685 1.00 0.00 C ATOM 942 CG2 VAL A 60 6.183 -10.052 -5.039 1.00 0.00 C ATOM 0 H VAL A 60 5.551 -11.096 -7.376 1.00 0.00 H new ATOM 0 HA VAL A 60 5.699 -8.203 -7.100 1.00 0.00 H new ATOM 0 HB VAL A 60 7.735 -10.328 -6.478 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.524 -8.675 -4.823 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.607 -8.047 -6.486 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.298 -7.522 -5.401 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.805 -10.336 -4.190 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.482 -9.276 -4.732 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.629 -10.923 -5.390 1.00 0.00 H new ATOM 952 N THR A 61 7.323 -7.499 -8.797 1.00 0.00 N ATOM 953 CA THR A 61 8.115 -7.043 -9.927 1.00 0.00 C ATOM 954 C THR A 61 9.492 -6.570 -9.457 1.00 0.00 C ATOM 955 O THR A 61 10.483 -6.732 -10.167 1.00 0.00 O ATOM 956 CB THR A 61 7.317 -5.961 -10.657 1.00 0.00 C ATOM 957 OG1 THR A 61 7.179 -4.921 -9.692 1.00 0.00 O ATOM 958 CG2 THR A 61 5.878 -6.391 -10.950 1.00 0.00 C ATOM 0 H THR A 61 6.989 -6.756 -8.183 1.00 0.00 H new ATOM 0 HA THR A 61 8.307 -7.855 -10.629 1.00 0.00 H new ATOM 0 HB THR A 61 7.818 -5.710 -11.592 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.674 -4.177 -10.083 1.00 0.00 H new ATOM 0 HG21 THR A 61 5.356 -5.587 -11.469 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.885 -7.283 -11.577 1.00 0.00 H new ATOM 0 HG23 THR A 61 5.366 -6.610 -10.013 1.00 0.00 H new ATOM 966 N ASP A 62 9.509 -5.995 -8.264 1.00 0.00 N ATOM 967 CA ASP A 62 10.748 -5.497 -7.691 1.00 0.00 C ATOM 968 C ASP A 62 10.626 -5.471 -6.166 1.00 0.00 C ATOM 969 O ASP A 62 9.616 -5.019 -5.628 1.00 0.00 O ATOM 970 CB ASP A 62 11.042 -4.073 -8.166 1.00 0.00 C ATOM 971 CG ASP A 62 12.251 -3.937 -9.094 1.00 0.00 C ATOM 972 OD1 ASP A 62 13.354 -4.319 -8.648 1.00 0.00 O ATOM 973 OD2 ASP A 62 12.045 -3.454 -10.228 1.00 0.00 O ATOM 0 H ASP A 62 8.685 -5.863 -7.678 1.00 0.00 H new ATOM 0 HA ASP A 62 11.555 -6.157 -8.009 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.162 -3.689 -8.682 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.200 -3.440 -7.293 1.00 0.00 H new ATOM 978 N VAL A 63 11.669 -5.961 -5.512 1.00 0.00 N ATOM 979 CA VAL A 63 11.691 -5.999 -4.060 1.00 0.00 C ATOM 980 C VAL A 63 13.127 -6.221 -3.581 1.00 0.00 C ATOM 981 O VAL A 63 13.664 -7.321 -3.705 1.00 0.00 O ATOM 982 CB VAL A 63 10.720 -7.066 -3.550 1.00 0.00 C ATOM 983 CG1 VAL A 63 11.002 -8.421 -4.202 1.00 0.00 C ATOM 984 CG2 VAL A 63 10.772 -7.171 -2.024 1.00 0.00 C ATOM 0 H VAL A 63 12.505 -6.335 -5.961 1.00 0.00 H new ATOM 0 HA VAL A 63 11.354 -5.048 -3.648 1.00 0.00 H new ATOM 0 HB VAL A 63 9.712 -6.762 -3.831 1.00 0.00 H new ATOM 0 HG11 VAL A 63 10.298 -9.161 -3.822 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.890 -8.335 -5.283 1.00 0.00 H new ATOM 0 HG13 VAL A 63 12.019 -8.733 -3.966 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.072 -7.936 -1.688 1.00 0.00 H new ATOM 0 HG22 VAL A 63 11.781 -7.440 -1.712 1.00 0.00 H new ATOM 0 HG23 VAL A 63 10.499 -6.212 -1.584 1.00 0.00 H new ATOM 994 N GLU A 64 13.709 -5.158 -3.046 1.00 0.00 N ATOM 995 CA GLU A 64 15.073 -5.222 -2.548 1.00 0.00 C ATOM 996 C GLU A 64 15.297 -4.156 -1.474 1.00 0.00 C ATOM 997 O GLU A 64 15.397 -2.970 -1.783 1.00 0.00 O ATOM 998 CB GLU A 64 16.081 -5.070 -3.690 1.00 0.00 C ATOM 999 CG GLU A 64 17.510 -5.292 -3.192 1.00 0.00 C ATOM 1000 CD GLU A 64 18.118 -6.552 -3.813 1.00 0.00 C ATOM 1001 OE1 GLU A 64 17.575 -7.642 -3.531 1.00 0.00 O ATOM 1002 OE2 GLU A 64 19.111 -6.396 -4.555 1.00 0.00 O ATOM 0 H GLU A 64 13.261 -4.247 -2.946 1.00 0.00 H new ATOM 0 HA GLU A 64 15.229 -6.202 -2.097 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.852 -5.785 -4.480 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.994 -4.075 -4.126 1.00 0.00 H new ATOM 0 HG2 GLU A 64 18.124 -4.427 -3.441 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.511 -5.381 -2.106 1.00 0.00 H new ATOM 1009 N ARG A 65 15.368 -4.617 -0.234 1.00 0.00 N ATOM 1010 CA ARG A 65 15.579 -3.718 0.888 1.00 0.00 C ATOM 1011 C ARG A 65 14.472 -2.662 0.937 1.00 0.00 C ATOM 1012 O ARG A 65 13.704 -2.519 -0.013 1.00 0.00 O ATOM 1013 CB ARG A 65 16.936 -3.020 0.788 1.00 0.00 C ATOM 1014 CG ARG A 65 17.887 -3.511 1.881 1.00 0.00 C ATOM 1015 CD ARG A 65 18.733 -4.686 1.386 1.00 0.00 C ATOM 1016 NE ARG A 65 20.170 -4.391 1.576 1.00 0.00 N ATOM 1017 CZ ARG A 65 20.912 -3.684 0.712 1.00 0.00 C ATOM 1018 NH1 ARG A 65 20.357 -3.195 -0.405 1.00 0.00 N ATOM 1019 NH2 ARG A 65 22.210 -3.466 0.967 1.00 0.00 N ATOM 0 H ARG A 65 15.283 -5.602 0.019 1.00 0.00 H new ATOM 0 HA ARG A 65 15.558 -4.315 1.800 1.00 0.00 H new ATOM 0 HB2 ARG A 65 17.374 -3.208 -0.192 1.00 0.00 H new ATOM 0 HB3 ARG A 65 16.802 -1.942 0.875 1.00 0.00 H new ATOM 0 HG2 ARG A 65 18.539 -2.695 2.194 1.00 0.00 H new ATOM 0 HG3 ARG A 65 17.314 -3.815 2.757 1.00 0.00 H new ATOM 0 HD2 ARG A 65 18.465 -5.592 1.929 1.00 0.00 H new ATOM 0 HD3 ARG A 65 18.528 -4.874 0.332 1.00 0.00 H new ATOM 0 HE ARG A 65 20.624 -4.748 2.417 1.00 0.00 H new ATOM 0 HH11 ARG A 65 19.369 -3.361 -0.598 1.00 0.00 H new ATOM 0 HH12 ARG A 65 20.922 -2.657 -1.062 1.00 0.00 H new ATOM 0 HH21 ARG A 65 22.632 -3.838 1.818 1.00 0.00 H new ATOM 0 HH22 ARG A 65 22.775 -2.928 0.310 1.00 0.00 H new ATOM 1033 N PRO A 66 14.425 -1.932 2.083 1.00 0.00 N ATOM 1034 CA PRO A 66 13.426 -0.893 2.268 1.00 0.00 C ATOM 1035 C PRO A 66 13.770 0.351 1.448 1.00 0.00 C ATOM 1036 O PRO A 66 14.056 1.409 2.007 1.00 0.00 O ATOM 1037 CB PRO A 66 13.404 -0.631 3.765 1.00 0.00 C ATOM 1038 CG PRO A 66 14.708 -1.192 4.306 1.00 0.00 C ATOM 1039 CD PRO A 66 15.319 -2.074 3.229 1.00 0.00 C ATOM 0 HA PRO A 66 12.439 -1.191 1.915 1.00 0.00 H new ATOM 0 HB2 PRO A 66 13.322 0.436 3.973 1.00 0.00 H new ATOM 0 HB3 PRO A 66 12.547 -1.115 4.233 1.00 0.00 H new ATOM 0 HG2 PRO A 66 15.390 -0.384 4.570 1.00 0.00 H new ATOM 0 HG3 PRO A 66 14.528 -1.767 5.214 1.00 0.00 H new ATOM 0 HD2 PRO A 66 16.332 -1.755 2.983 1.00 0.00 H new ATOM 0 HD3 PRO A 66 15.382 -3.112 3.556 1.00 0.00 H new ATOM 1047 N ILE A 67 13.731 0.185 0.134 1.00 0.00 N ATOM 1048 CA ILE A 67 14.035 1.282 -0.769 1.00 0.00 C ATOM 1049 C ILE A 67 13.104 1.213 -1.981 1.00 0.00 C ATOM 1050 O ILE A 67 12.508 2.217 -2.369 1.00 0.00 O ATOM 1051 CB ILE A 67 15.521 1.278 -1.135 1.00 0.00 C ATOM 1052 CG1 ILE A 67 15.975 -0.116 -1.571 1.00 0.00 C ATOM 1053 CG2 ILE A 67 16.370 1.824 0.015 1.00 0.00 C ATOM 1054 CD1 ILE A 67 15.972 -0.242 -3.096 1.00 0.00 C ATOM 0 H ILE A 67 13.493 -0.693 -0.327 1.00 0.00 H new ATOM 0 HA ILE A 67 13.852 2.239 -0.280 1.00 0.00 H new ATOM 0 HB ILE A 67 15.665 1.944 -1.986 1.00 0.00 H new ATOM 0 HG12 ILE A 67 16.977 -0.312 -1.188 1.00 0.00 H new ATOM 0 HG13 ILE A 67 15.316 -0.869 -1.139 1.00 0.00 H new ATOM 0 HG21 ILE A 67 17.422 1.810 -0.271 1.00 0.00 H new ATOM 0 HG22 ILE A 67 16.067 2.847 0.237 1.00 0.00 H new ATOM 0 HG23 ILE A 67 16.226 1.204 0.900 1.00 0.00 H new ATOM 0 HD11 ILE A 67 16.299 -1.243 -3.379 1.00 0.00 H new ATOM 0 HD12 ILE A 67 14.964 -0.069 -3.473 1.00 0.00 H new ATOM 0 HD13 ILE A 67 16.651 0.496 -3.523 1.00 0.00 H new ATOM 1066 N LYS A 68 13.007 0.018 -2.545 1.00 0.00 N ATOM 1067 CA LYS A 68 12.158 -0.195 -3.705 1.00 0.00 C ATOM 1068 C LYS A 68 11.310 -1.450 -3.488 1.00 0.00 C ATOM 1069 O LYS A 68 11.830 -2.494 -3.096 1.00 0.00 O ATOM 1070 CB LYS A 68 12.997 -0.234 -4.984 1.00 0.00 C ATOM 1071 CG LYS A 68 12.112 -0.437 -6.215 1.00 0.00 C ATOM 1072 CD LYS A 68 12.172 0.780 -7.140 1.00 0.00 C ATOM 1073 CE LYS A 68 12.415 0.355 -8.590 1.00 0.00 C ATOM 1074 NZ LYS A 68 13.651 0.979 -9.113 1.00 0.00 N ATOM 0 H LYS A 68 13.502 -0.813 -2.220 1.00 0.00 H new ATOM 0 HA LYS A 68 11.468 0.639 -3.829 1.00 0.00 H new ATOM 0 HB2 LYS A 68 13.557 0.696 -5.084 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.727 -1.041 -4.920 1.00 0.00 H new ATOM 0 HG2 LYS A 68 12.435 -1.326 -6.757 1.00 0.00 H new ATOM 0 HG3 LYS A 68 11.082 -0.610 -5.902 1.00 0.00 H new ATOM 0 HD2 LYS A 68 11.239 1.339 -7.073 1.00 0.00 H new ATOM 0 HD3 LYS A 68 12.969 1.449 -6.815 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.496 -0.730 -8.648 1.00 0.00 H new ATOM 0 HE3 LYS A 68 11.565 0.645 -9.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 13.801 0.680 -10.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 13.560 2.014 -9.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 14.462 0.682 -8.534 1.00 0.00 H new ATOM 1088 N LEU A 69 10.020 -1.307 -3.751 1.00 0.00 N ATOM 1089 CA LEU A 69 9.095 -2.416 -3.589 1.00 0.00 C ATOM 1090 C LEU A 69 7.881 -2.199 -4.494 1.00 0.00 C ATOM 1091 O LEU A 69 7.253 -1.142 -4.454 1.00 0.00 O ATOM 1092 CB LEU A 69 8.736 -2.603 -2.113 1.00 0.00 C ATOM 1093 CG LEU A 69 7.973 -3.883 -1.766 1.00 0.00 C ATOM 1094 CD1 LEU A 69 8.896 -5.103 -1.817 1.00 0.00 C ATOM 1095 CD2 LEU A 69 7.271 -3.752 -0.413 1.00 0.00 C ATOM 0 H LEU A 69 9.593 -0.439 -4.075 1.00 0.00 H new ATOM 0 HA LEU A 69 9.562 -3.350 -3.901 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.657 -2.583 -1.530 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.138 -1.749 -1.794 1.00 0.00 H new ATOM 0 HG LEU A 69 7.199 -4.034 -2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.329 -5.999 -1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.310 -5.204 -2.820 1.00 0.00 H new ATOM 0 HD13 LEU A 69 9.708 -4.975 -1.101 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.736 -4.675 -0.190 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.012 -3.565 0.365 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.565 -2.923 -0.448 1.00 0.00 H new ATOM 1107 N SER A 70 7.587 -3.217 -5.290 1.00 0.00 N ATOM 1108 CA SER A 70 6.460 -3.150 -6.204 1.00 0.00 C ATOM 1109 C SER A 70 5.812 -4.530 -6.337 1.00 0.00 C ATOM 1110 O SER A 70 6.490 -5.551 -6.232 1.00 0.00 O ATOM 1111 CB SER A 70 6.893 -2.633 -7.577 1.00 0.00 C ATOM 1112 OG SER A 70 5.780 -2.242 -8.376 1.00 0.00 O ATOM 0 H SER A 70 8.110 -4.092 -5.321 1.00 0.00 H new ATOM 0 HA SER A 70 5.731 -2.450 -5.796 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.564 -1.783 -7.449 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.456 -3.409 -8.095 1.00 0.00 H new ATOM 0 HG SER A 70 5.536 -1.316 -8.166 1.00 0.00 H new ATOM 1118 N PHE A 71 4.507 -4.516 -6.565 1.00 0.00 N ATOM 1119 CA PHE A 71 3.760 -5.754 -6.713 1.00 0.00 C ATOM 1120 C PHE A 71 2.476 -5.527 -7.515 1.00 0.00 C ATOM 1121 O PHE A 71 1.782 -4.532 -7.313 1.00 0.00 O ATOM 1122 CB PHE A 71 3.391 -6.224 -5.305 1.00 0.00 C ATOM 1123 CG PHE A 71 2.182 -5.504 -4.705 1.00 0.00 C ATOM 1124 CD1 PHE A 71 0.928 -5.805 -5.136 1.00 0.00 C ATOM 1125 CD2 PHE A 71 2.362 -4.562 -3.740 1.00 0.00 C ATOM 1126 CE1 PHE A 71 -0.194 -5.136 -4.578 1.00 0.00 C ATOM 1127 CE2 PHE A 71 1.240 -3.893 -3.182 1.00 0.00 C ATOM 1128 CZ PHE A 71 -0.014 -4.194 -3.613 1.00 0.00 C ATOM 0 H PHE A 71 3.948 -3.667 -6.651 1.00 0.00 H new ATOM 0 HA PHE A 71 4.362 -6.491 -7.244 1.00 0.00 H new ATOM 0 HB2 PHE A 71 3.187 -7.294 -5.332 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.249 -6.080 -4.649 1.00 0.00 H new ATOM 0 HD1 PHE A 71 0.785 -6.552 -5.902 1.00 0.00 H new ATOM 0 HD2 PHE A 71 3.358 -4.323 -3.398 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -1.190 -5.375 -4.920 1.00 0.00 H new ATOM 0 HE2 PHE A 71 1.383 -3.146 -2.416 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.867 -3.685 -3.189 1.00 0.00 H new ATOM 1138 N THR A 72 2.200 -6.466 -8.408 1.00 0.00 N ATOM 1139 CA THR A 72 1.013 -6.381 -9.240 1.00 0.00 C ATOM 1140 C THR A 72 -0.180 -7.033 -8.537 1.00 0.00 C ATOM 1141 O THR A 72 -0.005 -7.935 -7.719 1.00 0.00 O ATOM 1142 CB THR A 72 1.339 -7.014 -10.595 1.00 0.00 C ATOM 1143 OG1 THR A 72 1.887 -8.286 -10.261 1.00 0.00 O ATOM 1144 CG2 THR A 72 2.480 -6.295 -11.317 1.00 0.00 C ATOM 0 H THR A 72 2.779 -7.290 -8.573 1.00 0.00 H new ATOM 0 HA THR A 72 0.723 -5.344 -9.410 1.00 0.00 H new ATOM 0 HB THR A 72 0.449 -7.005 -11.224 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.829 -8.181 -10.013 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.671 -6.784 -12.272 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.203 -5.255 -11.490 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.380 -6.333 -10.703 1.00 0.00 H new ATOM 1152 N TRP A 73 -1.365 -6.551 -8.882 1.00 0.00 N ATOM 1153 CA TRP A 73 -2.586 -7.075 -8.294 1.00 0.00 C ATOM 1154 C TRP A 73 -3.716 -6.893 -9.309 1.00 0.00 C ATOM 1155 O TRP A 73 -3.894 -5.806 -9.856 1.00 0.00 O ATOM 1156 CB TRP A 73 -2.877 -6.407 -6.948 1.00 0.00 C ATOM 1157 CG TRP A 73 -4.171 -6.882 -6.285 1.00 0.00 C ATOM 1158 CD1 TRP A 73 -4.767 -8.077 -6.399 1.00 0.00 C ATOM 1159 CD2 TRP A 73 -5.011 -6.118 -5.394 1.00 0.00 C ATOM 1160 NE1 TRP A 73 -5.924 -8.139 -5.650 1.00 0.00 N ATOM 1161 CE2 TRP A 73 -6.077 -6.910 -5.019 1.00 0.00 C ATOM 1162 CE3 TRP A 73 -4.874 -4.801 -4.920 1.00 0.00 C ATOM 1163 CZ2 TRP A 73 -7.089 -6.475 -4.154 1.00 0.00 C ATOM 1164 CZ3 TRP A 73 -5.893 -4.382 -4.056 1.00 0.00 C ATOM 1165 CH2 TRP A 73 -6.973 -5.167 -3.670 1.00 0.00 C ATOM 0 H TRP A 73 -1.505 -5.803 -9.561 1.00 0.00 H new ATOM 0 HA TRP A 73 -2.483 -8.138 -8.075 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -2.043 -6.597 -6.272 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -2.930 -5.328 -7.093 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -4.389 -8.890 -7.002 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -6.552 -8.939 -5.573 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -4.048 -4.164 -5.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -7.914 -7.114 -3.876 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -5.836 -3.378 -3.662 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -7.720 -4.769 -2.999 1.00 0.00 H new ATOM 1221 N TRP A 78 -4.024 -2.166 -12.348 1.00 0.00 N ATOM 1222 CA TRP A 78 -3.876 -1.523 -11.053 1.00 0.00 C ATOM 1223 C TRP A 78 -2.564 -2.005 -10.432 1.00 0.00 C ATOM 1224 O TRP A 78 -2.448 -3.166 -10.041 1.00 0.00 O ATOM 1225 CB TRP A 78 -5.093 -1.792 -10.165 1.00 0.00 C ATOM 1226 CG TRP A 78 -6.369 -1.084 -10.626 1.00 0.00 C ATOM 1227 CD1 TRP A 78 -6.833 -0.950 -11.876 1.00 0.00 C ATOM 1228 CD2 TRP A 78 -7.332 -0.415 -9.785 1.00 0.00 C ATOM 1229 NE1 TRP A 78 -8.019 -0.246 -11.902 1.00 0.00 N ATOM 1230 CE2 TRP A 78 -8.332 0.090 -10.590 1.00 0.00 C ATOM 1231 CE3 TRP A 78 -7.356 -0.241 -8.390 1.00 0.00 C ATOM 1232 CZ2 TRP A 78 -9.431 0.801 -10.093 1.00 0.00 C ATOM 1233 CZ3 TRP A 78 -8.461 0.472 -7.909 1.00 0.00 C ATOM 1234 CH2 TRP A 78 -9.476 0.987 -8.706 1.00 0.00 C ATOM 0 HA TRP A 78 -3.830 -0.440 -11.164 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -5.277 -2.866 -10.134 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -4.863 -1.478 -9.147 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -6.340 -1.344 -12.753 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -8.566 -0.015 -12.731 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -6.584 -0.627 -7.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -10.202 1.185 -10.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -8.529 0.633 -6.843 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -10.296 1.528 -8.258 1.00 0.00 H new ATOM 1245 N SER A 79 -1.609 -1.090 -10.360 1.00 0.00 N ATOM 1246 CA SER A 79 -0.309 -1.408 -9.793 1.00 0.00 C ATOM 1247 C SER A 79 0.064 -0.375 -8.727 1.00 0.00 C ATOM 1248 O SER A 79 -0.220 0.812 -8.882 1.00 0.00 O ATOM 1249 CB SER A 79 0.767 -1.463 -10.879 1.00 0.00 C ATOM 1250 OG SER A 79 0.221 -1.780 -12.156 1.00 0.00 O ATOM 0 H SER A 79 -1.709 -0.128 -10.685 1.00 0.00 H new ATOM 0 HA SER A 79 -0.369 -2.393 -9.330 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.278 -0.502 -10.932 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.516 -2.208 -10.610 1.00 0.00 H new ATOM 0 HG SER A 79 0.939 -1.804 -12.822 1.00 0.00 H new ATOM 1256 N VAL A 80 0.694 -0.865 -7.670 1.00 0.00 N ATOM 1257 CA VAL A 80 1.108 0.001 -6.579 1.00 0.00 C ATOM 1258 C VAL A 80 2.586 -0.247 -6.270 1.00 0.00 C ATOM 1259 O VAL A 80 3.064 -1.376 -6.373 1.00 0.00 O ATOM 1260 CB VAL A 80 0.199 -0.213 -5.367 1.00 0.00 C ATOM 1261 CG1 VAL A 80 0.266 -1.662 -4.880 1.00 0.00 C ATOM 1262 CG2 VAL A 80 0.551 0.761 -4.240 1.00 0.00 C ATOM 0 H VAL A 80 0.928 -1.850 -7.546 1.00 0.00 H new ATOM 0 HA VAL A 80 1.007 1.049 -6.863 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.826 -0.011 -5.677 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.389 -1.787 -4.018 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.055 -2.330 -5.679 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.290 -1.903 -4.595 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.109 0.588 -3.390 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.585 0.604 -3.933 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.428 1.785 -4.593 1.00 0.00 H new ATOM 1272 N THR A 81 3.268 0.826 -5.896 1.00 0.00 N ATOM 1273 CA THR A 81 4.681 0.738 -5.571 1.00 0.00 C ATOM 1274 C THR A 81 4.972 1.464 -4.257 1.00 0.00 C ATOM 1275 O THR A 81 4.446 2.549 -4.013 1.00 0.00 O ATOM 1276 CB THR A 81 5.474 1.289 -6.758 1.00 0.00 C ATOM 1277 OG1 THR A 81 4.958 0.579 -7.880 1.00 0.00 O ATOM 1278 CG2 THR A 81 6.951 0.890 -6.712 1.00 0.00 C ATOM 0 H THR A 81 2.868 1.760 -5.811 1.00 0.00 H new ATOM 0 HA THR A 81 4.986 -0.296 -5.409 1.00 0.00 H new ATOM 0 HB THR A 81 5.392 2.376 -6.776 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.416 0.876 -8.694 1.00 0.00 H new ATOM 0 HG21 THR A 81 7.468 1.307 -7.577 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.404 1.275 -5.798 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.035 -0.197 -6.728 1.00 0.00 H new ATOM 1286 N PHE A 82 5.809 0.837 -3.444 1.00 0.00 N ATOM 1287 CA PHE A 82 6.176 1.410 -2.160 1.00 0.00 C ATOM 1288 C PHE A 82 7.646 1.835 -2.149 1.00 0.00 C ATOM 1289 O PHE A 82 8.491 1.178 -2.756 1.00 0.00 O ATOM 1290 CB PHE A 82 5.966 0.319 -1.107 1.00 0.00 C ATOM 1291 CG PHE A 82 4.550 -0.259 -1.084 1.00 0.00 C ATOM 1292 CD1 PHE A 82 3.475 0.575 -1.053 1.00 0.00 C ATOM 1293 CD2 PHE A 82 4.365 -1.606 -1.094 1.00 0.00 C ATOM 1294 CE1 PHE A 82 2.161 0.039 -1.032 1.00 0.00 C ATOM 1295 CE2 PHE A 82 3.050 -2.142 -1.073 1.00 0.00 C ATOM 1296 CZ PHE A 82 1.976 -1.309 -1.042 1.00 0.00 C ATOM 0 H PHE A 82 6.244 -0.063 -3.649 1.00 0.00 H new ATOM 0 HA PHE A 82 5.568 2.292 -1.959 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.674 -0.489 -1.290 1.00 0.00 H new ATOM 0 HB3 PHE A 82 6.196 0.728 -0.123 1.00 0.00 H new ATOM 0 HD1 PHE A 82 3.622 1.645 -1.044 1.00 0.00 H new ATOM 0 HD2 PHE A 82 5.218 -2.268 -1.118 1.00 0.00 H new ATOM 0 HE1 PHE A 82 1.308 0.701 -1.008 1.00 0.00 H new ATOM 0 HE2 PHE A 82 2.903 -3.212 -1.082 1.00 0.00 H new ATOM 0 HZ PHE A 82 0.976 -1.717 -1.025 1.00 0.00 H new ATOM 1306 N HIS A 83 7.906 2.932 -1.453 1.00 0.00 N ATOM 1307 CA HIS A 83 9.259 3.454 -1.356 1.00 0.00 C ATOM 1308 C HIS A 83 9.563 3.822 0.097 1.00 0.00 C ATOM 1309 O HIS A 83 8.970 4.751 0.643 1.00 0.00 O ATOM 1310 CB HIS A 83 9.461 4.625 -2.320 1.00 0.00 C ATOM 1311 CG HIS A 83 9.752 4.207 -3.741 1.00 0.00 C ATOM 1312 ND1 HIS A 83 10.990 3.741 -4.147 1.00 0.00 N ATOM 1313 CD2 HIS A 83 8.953 4.189 -4.847 1.00 0.00 C ATOM 1314 CE1 HIS A 83 10.928 3.460 -5.440 1.00 0.00 C ATOM 1315 NE2 HIS A 83 9.665 3.738 -5.872 1.00 0.00 N ATOM 0 H HIS A 83 7.203 3.474 -0.951 1.00 0.00 H new ATOM 0 HA HIS A 83 9.972 2.686 -1.657 1.00 0.00 H new ATOM 0 HB2 HIS A 83 8.567 5.248 -2.311 1.00 0.00 H new ATOM 0 HB3 HIS A 83 10.283 5.243 -1.958 1.00 0.00 H new ATOM 0 HD1 HIS A 83 11.811 3.632 -3.552 1.00 0.00 H new ATOM 0 HD2 HIS A 83 7.917 4.491 -4.882 1.00 0.00 H new ATOM 0 HE1 HIS A 83 11.736 3.078 -6.046 1.00 0.00 H new ATOM 1323 N LEU A 84 10.488 3.075 0.682 1.00 0.00 N ATOM 1324 CA LEU A 84 10.878 3.312 2.062 1.00 0.00 C ATOM 1325 C LEU A 84 12.207 4.070 2.088 1.00 0.00 C ATOM 1326 O LEU A 84 12.955 4.053 1.112 1.00 0.00 O ATOM 1327 CB LEU A 84 10.906 1.997 2.844 1.00 0.00 C ATOM 1328 CG LEU A 84 9.543 1.374 3.155 1.00 0.00 C ATOM 1329 CD1 LEU A 84 9.179 0.307 2.121 1.00 0.00 C ATOM 1330 CD2 LEU A 84 9.505 0.825 4.583 1.00 0.00 C ATOM 0 H LEU A 84 10.979 2.306 0.226 1.00 0.00 H new ATOM 0 HA LEU A 84 10.142 3.940 2.564 1.00 0.00 H new ATOM 0 HB2 LEU A 84 11.494 1.274 2.279 1.00 0.00 H new ATOM 0 HB3 LEU A 84 11.429 2.168 3.785 1.00 0.00 H new ATOM 0 HG LEU A 84 8.787 2.156 3.090 1.00 0.00 H new ATOM 0 HD11 LEU A 84 8.206 -0.120 2.365 1.00 0.00 H new ATOM 0 HD12 LEU A 84 9.138 0.759 1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 84 9.933 -0.480 2.130 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.526 0.388 4.779 1.00 0.00 H new ATOM 0 HD22 LEU A 84 10.273 0.061 4.700 1.00 0.00 H new ATOM 0 HD23 LEU A 84 9.689 1.635 5.289 1.00 0.00 H new ATOM 1342 N LYS A 85 12.459 4.719 3.216 1.00 0.00 N ATOM 1343 CA LYS A 85 13.684 5.482 3.382 1.00 0.00 C ATOM 1344 C LYS A 85 13.803 5.936 4.838 1.00 0.00 C ATOM 1345 O LYS A 85 12.961 6.686 5.330 1.00 0.00 O ATOM 1346 CB LYS A 85 13.740 6.631 2.373 1.00 0.00 C ATOM 1347 CG LYS A 85 12.398 7.363 2.300 1.00 0.00 C ATOM 1348 CD LYS A 85 12.578 8.862 2.546 1.00 0.00 C ATOM 1349 CE LYS A 85 13.328 9.522 1.388 1.00 0.00 C ATOM 1350 NZ LYS A 85 13.725 10.902 1.747 1.00 0.00 N ATOM 0 H LYS A 85 11.836 4.732 4.023 1.00 0.00 H new ATOM 0 HA LYS A 85 14.553 4.859 3.170 1.00 0.00 H new ATOM 0 HB2 LYS A 85 14.525 7.331 2.657 1.00 0.00 H new ATOM 0 HB3 LYS A 85 14.000 6.243 1.388 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.945 7.203 1.322 1.00 0.00 H new ATOM 0 HG3 LYS A 85 11.713 6.949 3.040 1.00 0.00 H new ATOM 0 HD2 LYS A 85 11.603 9.334 2.668 1.00 0.00 H new ATOM 0 HD3 LYS A 85 13.126 9.018 3.475 1.00 0.00 H new ATOM 0 HE2 LYS A 85 14.213 8.936 1.139 1.00 0.00 H new ATOM 0 HE3 LYS A 85 12.696 9.538 0.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 14.233 11.336 0.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 12.876 11.463 1.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 14.345 10.879 2.581 1.00 0.00 H new ATOM 1364 N GLU A 86 14.856 5.463 5.488 1.00 0.00 N ATOM 1365 CA GLU A 86 15.097 5.810 6.878 1.00 0.00 C ATOM 1366 C GLU A 86 15.642 7.236 6.982 1.00 0.00 C ATOM 1367 O GLU A 86 16.617 7.582 6.317 1.00 0.00 O ATOM 1368 CB GLU A 86 16.048 4.810 7.537 1.00 0.00 C ATOM 1369 CG GLU A 86 15.751 4.673 9.032 1.00 0.00 C ATOM 1370 CD GLU A 86 16.997 4.972 9.868 1.00 0.00 C ATOM 1371 OE1 GLU A 86 17.568 6.065 9.664 1.00 0.00 O ATOM 1372 OE2 GLU A 86 17.349 4.102 10.693 1.00 0.00 O ATOM 0 H GLU A 86 15.553 4.842 5.077 1.00 0.00 H new ATOM 0 HA GLU A 86 14.148 5.764 7.413 1.00 0.00 H new ATOM 0 HB2 GLU A 86 15.952 3.838 7.053 1.00 0.00 H new ATOM 0 HB3 GLU A 86 17.079 5.136 7.396 1.00 0.00 H new ATOM 0 HG2 GLU A 86 14.949 5.356 9.311 1.00 0.00 H new ATOM 0 HG3 GLU A 86 15.399 3.664 9.246 1.00 0.00 H new ATOM 1379 N GLU A 87 14.988 8.026 7.821 1.00 0.00 N ATOM 1380 CA GLU A 87 15.395 9.406 8.021 1.00 0.00 C ATOM 1381 C GLU A 87 15.826 9.628 9.472 1.00 0.00 C ATOM 1382 O GLU A 87 15.965 8.674 10.235 1.00 0.00 O ATOM 1383 CB GLU A 87 14.274 10.371 7.628 1.00 0.00 C ATOM 1384 CG GLU A 87 14.675 11.214 6.417 1.00 0.00 C ATOM 1385 CD GLU A 87 15.531 12.410 6.840 1.00 0.00 C ATOM 1386 OE1 GLU A 87 15.116 13.093 7.801 1.00 0.00 O ATOM 1387 OE2 GLU A 87 16.581 12.614 6.192 1.00 0.00 O ATOM 0 H GLU A 87 14.179 7.736 8.370 1.00 0.00 H new ATOM 0 HA GLU A 87 16.248 9.610 7.374 1.00 0.00 H new ATOM 0 HB2 GLU A 87 13.369 9.809 7.400 1.00 0.00 H new ATOM 0 HB3 GLU A 87 14.040 11.024 8.469 1.00 0.00 H new ATOM 0 HG2 GLU A 87 15.229 10.598 5.708 1.00 0.00 H new ATOM 0 HG3 GLU A 87 13.781 11.566 5.902 1.00 0.00 H new ATOM 1394 N GLU A 88 16.026 10.894 9.810 1.00 0.00 N ATOM 1395 CA GLU A 88 16.439 11.253 11.156 1.00 0.00 C ATOM 1396 C GLU A 88 15.290 11.028 12.141 1.00 0.00 C ATOM 1397 O GLU A 88 15.407 10.222 13.062 1.00 0.00 O ATOM 1398 CB GLU A 88 16.932 12.700 11.210 1.00 0.00 C ATOM 1399 CG GLU A 88 18.447 12.771 11.008 1.00 0.00 C ATOM 1400 CD GLU A 88 19.130 13.433 12.206 1.00 0.00 C ATOM 1401 OE1 GLU A 88 19.405 12.699 13.180 1.00 0.00 O ATOM 1402 OE2 GLU A 88 19.361 14.659 12.122 1.00 0.00 O ATOM 0 H GLU A 88 15.910 11.684 9.175 1.00 0.00 H new ATOM 0 HA GLU A 88 17.270 10.610 11.444 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.431 13.288 10.441 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.669 13.142 12.171 1.00 0.00 H new ATOM 0 HG2 GLU A 88 18.846 11.767 10.867 1.00 0.00 H new ATOM 0 HG3 GLU A 88 18.671 13.333 10.101 1.00 0.00 H new ATOM 1409 N ASN A 89 14.206 11.756 11.912 1.00 0.00 N ATOM 1410 CA ASN A 89 13.037 11.646 12.768 1.00 0.00 C ATOM 1411 C ASN A 89 12.688 10.168 12.961 1.00 0.00 C ATOM 1412 O ASN A 89 12.417 9.731 14.078 1.00 0.00 O ATOM 1413 CB ASN A 89 11.827 12.339 12.140 1.00 0.00 C ATOM 1414 CG ASN A 89 11.421 13.573 12.948 1.00 0.00 C ATOM 1415 OD1 ASN A 89 11.962 13.862 14.003 1.00 0.00 O ATOM 1416 ND2 ASN A 89 10.440 14.282 12.397 1.00 0.00 N ATOM 0 H ASN A 89 14.113 12.424 11.146 1.00 0.00 H new ATOM 0 HA ASN A 89 13.271 12.122 13.720 1.00 0.00 H new ATOM 0 HB2 ASN A 89 12.062 12.631 11.116 1.00 0.00 H new ATOM 0 HB3 ASN A 89 10.990 11.642 12.089 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.097 15.124 12.860 1.00 0.00 H new ATOM 0 HD22 ASN A 89 10.031 13.984 11.511 1.00 0.00 H new ATOM 1423 N GLY A 90 12.707 9.440 11.854 1.00 0.00 N ATOM 1424 CA GLY A 90 12.396 8.021 11.887 1.00 0.00 C ATOM 1425 C GLY A 90 12.461 7.413 10.484 1.00 0.00 C ATOM 1426 O GLY A 90 13.437 7.611 9.762 1.00 0.00 O ATOM 0 H GLY A 90 12.933 9.806 10.929 1.00 0.00 H new ATOM 0 HA2 GLY A 90 13.098 7.506 12.543 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.401 7.873 12.306 1.00 0.00 H new ATOM 1430 N THR A 91 11.408 6.685 10.141 1.00 0.00 N ATOM 1431 CA THR A 91 11.333 6.047 8.837 1.00 0.00 C ATOM 1432 C THR A 91 10.266 6.724 7.974 1.00 0.00 C ATOM 1433 O THR A 91 9.174 7.025 8.452 1.00 0.00 O ATOM 1434 CB THR A 91 11.081 4.554 9.056 1.00 0.00 C ATOM 1435 OG1 THR A 91 12.226 4.111 9.778 1.00 0.00 O ATOM 1436 CG2 THR A 91 11.129 3.755 7.752 1.00 0.00 C ATOM 0 H THR A 91 10.600 6.523 10.743 1.00 0.00 H new ATOM 0 HA THR A 91 12.268 6.156 8.288 1.00 0.00 H new ATOM 0 HB THR A 91 10.110 4.415 9.531 1.00 0.00 H new ATOM 0 HG1 THR A 91 12.100 4.289 10.733 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.944 2.702 7.964 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.366 4.127 7.069 1.00 0.00 H new ATOM 0 HG23 THR A 91 12.112 3.866 7.293 1.00 0.00 H new ATOM 1444 N ILE A 92 10.621 6.943 6.716 1.00 0.00 N ATOM 1445 CA ILE A 92 9.708 7.578 5.781 1.00 0.00 C ATOM 1446 C ILE A 92 9.103 6.514 4.863 1.00 0.00 C ATOM 1447 O ILE A 92 9.825 5.697 4.292 1.00 0.00 O ATOM 1448 CB ILE A 92 10.412 8.709 5.029 1.00 0.00 C ATOM 1449 CG1 ILE A 92 11.057 9.697 6.004 1.00 0.00 C ATOM 1450 CG2 ILE A 92 9.453 9.404 4.061 1.00 0.00 C ATOM 1451 CD1 ILE A 92 10.011 10.641 6.601 1.00 0.00 C ATOM 0 H ILE A 92 11.528 6.692 6.323 1.00 0.00 H new ATOM 0 HA ILE A 92 8.882 8.047 6.315 1.00 0.00 H new ATOM 0 HB ILE A 92 11.214 8.275 4.432 1.00 0.00 H new ATOM 0 HG12 ILE A 92 11.557 9.150 6.804 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.822 10.276 5.487 1.00 0.00 H new ATOM 0 HG21 ILE A 92 9.979 10.204 3.539 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.081 8.681 3.335 1.00 0.00 H new ATOM 0 HG23 ILE A 92 8.615 9.823 4.618 1.00 0.00 H new ATOM 0 HD11 ILE A 92 10.496 11.332 7.290 1.00 0.00 H new ATOM 0 HD12 ILE A 92 9.530 11.204 5.801 1.00 0.00 H new ATOM 0 HD13 ILE A 92 9.261 10.060 7.138 1.00 0.00 H new ATOM 1463 N PHE A 93 7.783 6.557 4.749 1.00 0.00 N ATOM 1464 CA PHE A 93 7.073 5.606 3.911 1.00 0.00 C ATOM 1465 C PHE A 93 6.305 6.324 2.798 1.00 0.00 C ATOM 1466 O PHE A 93 5.422 7.135 3.073 1.00 0.00 O ATOM 1467 CB PHE A 93 6.077 4.873 4.811 1.00 0.00 C ATOM 1468 CG PHE A 93 5.375 3.695 4.132 1.00 0.00 C ATOM 1469 CD1 PHE A 93 4.406 3.923 3.205 1.00 0.00 C ATOM 1470 CD2 PHE A 93 5.720 2.420 4.455 1.00 0.00 C ATOM 1471 CE1 PHE A 93 3.755 2.830 2.575 1.00 0.00 C ATOM 1472 CE2 PHE A 93 5.069 1.327 3.824 1.00 0.00 C ATOM 1473 CZ PHE A 93 4.100 1.555 2.898 1.00 0.00 C ATOM 0 H PHE A 93 7.187 7.236 5.223 1.00 0.00 H new ATOM 0 HA PHE A 93 7.780 4.920 3.444 1.00 0.00 H new ATOM 0 HB2 PHE A 93 6.601 4.510 5.695 1.00 0.00 H new ATOM 0 HB3 PHE A 93 5.324 5.582 5.155 1.00 0.00 H new ATOM 0 HD1 PHE A 93 4.132 4.936 2.948 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.489 2.239 5.191 1.00 0.00 H new ATOM 0 HE1 PHE A 93 2.986 3.011 1.839 1.00 0.00 H new ATOM 0 HE2 PHE A 93 5.344 0.314 4.080 1.00 0.00 H new ATOM 0 HZ PHE A 93 3.604 0.724 2.419 1.00 0.00 H new ATOM 1483 N THR A 94 6.669 5.998 1.567 1.00 0.00 N ATOM 1484 CA THR A 94 6.025 6.601 0.412 1.00 0.00 C ATOM 1485 C THR A 94 5.209 5.555 -0.351 1.00 0.00 C ATOM 1486 O THR A 94 5.645 4.415 -0.505 1.00 0.00 O ATOM 1487 CB THR A 94 7.108 7.266 -0.439 1.00 0.00 C ATOM 1488 OG1 THR A 94 7.702 8.219 0.438 1.00 0.00 O ATOM 1489 CG2 THR A 94 6.524 8.114 -1.571 1.00 0.00 C ATOM 0 H THR A 94 7.402 5.324 1.344 1.00 0.00 H new ATOM 0 HA THR A 94 5.311 7.368 0.713 1.00 0.00 H new ATOM 0 HB THR A 94 7.761 6.501 -0.859 1.00 0.00 H new ATOM 0 HG1 THR A 94 8.417 8.696 -0.033 1.00 0.00 H new ATOM 0 HG21 THR A 94 7.335 8.564 -2.144 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.923 7.483 -2.226 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.898 8.901 -1.150 1.00 0.00 H new ATOM 1497 N ILE A 95 4.040 5.980 -0.807 1.00 0.00 N ATOM 1498 CA ILE A 95 3.160 5.094 -1.550 1.00 0.00 C ATOM 1499 C ILE A 95 2.885 5.695 -2.929 1.00 0.00 C ATOM 1500 O ILE A 95 2.807 6.914 -3.075 1.00 0.00 O ATOM 1501 CB ILE A 95 1.894 4.797 -0.744 1.00 0.00 C ATOM 1502 CG1 ILE A 95 0.760 4.327 -1.657 1.00 0.00 C ATOM 1503 CG2 ILE A 95 1.486 6.006 0.100 1.00 0.00 C ATOM 1504 CD1 ILE A 95 1.126 3.015 -2.354 1.00 0.00 C ATOM 0 H ILE A 95 3.682 6.926 -0.676 1.00 0.00 H new ATOM 0 HA ILE A 95 3.640 4.129 -1.713 1.00 0.00 H new ATOM 0 HB ILE A 95 2.111 3.981 -0.055 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -0.150 4.191 -1.072 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.548 5.093 -2.403 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.583 5.769 0.663 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.291 6.255 0.792 1.00 0.00 H new ATOM 0 HG23 ILE A 95 1.293 6.857 -0.553 1.00 0.00 H new ATOM 0 HD11 ILE A 95 0.303 2.703 -2.997 1.00 0.00 H new ATOM 0 HD12 ILE A 95 2.022 3.161 -2.957 1.00 0.00 H new ATOM 0 HD13 ILE A 95 1.314 2.245 -1.605 1.00 0.00 H new ATOM 1516 N VAL A 96 2.744 4.812 -3.907 1.00 0.00 N ATOM 1517 CA VAL A 96 2.479 5.241 -5.270 1.00 0.00 C ATOM 1518 C VAL A 96 1.482 4.277 -5.918 1.00 0.00 C ATOM 1519 O VAL A 96 1.798 3.110 -6.143 1.00 0.00 O ATOM 1520 CB VAL A 96 3.791 5.355 -6.048 1.00 0.00 C ATOM 1521 CG1 VAL A 96 3.560 5.981 -7.424 1.00 0.00 C ATOM 1522 CG2 VAL A 96 4.832 6.147 -5.253 1.00 0.00 C ATOM 0 H VAL A 96 2.808 3.802 -3.783 1.00 0.00 H new ATOM 0 HA VAL A 96 2.026 6.232 -5.277 1.00 0.00 H new ATOM 0 HB VAL A 96 4.179 4.348 -6.200 1.00 0.00 H new ATOM 0 HG11 VAL A 96 4.509 6.050 -7.956 1.00 0.00 H new ATOM 0 HG12 VAL A 96 2.869 5.361 -7.994 1.00 0.00 H new ATOM 0 HG13 VAL A 96 3.138 6.979 -7.304 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.756 6.214 -5.828 1.00 0.00 H new ATOM 0 HG22 VAL A 96 4.454 7.150 -5.057 1.00 0.00 H new ATOM 0 HG23 VAL A 96 5.029 5.642 -4.307 1.00 0.00 H new ATOM 1532 N HIS A 97 0.298 4.802 -6.199 1.00 0.00 N ATOM 1533 CA HIS A 97 -0.746 4.003 -6.817 1.00 0.00 C ATOM 1534 C HIS A 97 -1.238 4.696 -8.089 1.00 0.00 C ATOM 1535 O HIS A 97 -1.598 5.872 -8.060 1.00 0.00 O ATOM 1536 CB HIS A 97 -1.874 3.720 -5.822 1.00 0.00 C ATOM 1537 CG HIS A 97 -2.841 2.653 -6.276 1.00 0.00 C ATOM 1538 ND1 HIS A 97 -4.208 2.746 -6.078 1.00 0.00 N ATOM 1539 CD2 HIS A 97 -2.625 1.471 -6.922 1.00 0.00 C ATOM 1540 CE1 HIS A 97 -4.778 1.663 -6.584 1.00 0.00 C ATOM 1541 NE2 HIS A 97 -3.796 0.874 -7.106 1.00 0.00 N ATOM 0 H HIS A 97 0.039 5.770 -6.010 1.00 0.00 H new ATOM 0 HA HIS A 97 -0.343 3.033 -7.106 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -1.437 3.419 -4.870 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -2.426 4.643 -5.642 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -1.664 1.086 -7.231 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -5.835 1.443 -6.583 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -3.938 -0.027 -7.563 1.00 0.00 H new ATOM 1549 N SER A 98 -1.237 3.937 -9.175 1.00 0.00 N ATOM 1550 CA SER A 98 -1.679 4.464 -10.456 1.00 0.00 C ATOM 1551 C SER A 98 -2.477 3.400 -11.212 1.00 0.00 C ATOM 1552 O SER A 98 -2.554 2.252 -10.778 1.00 0.00 O ATOM 1553 CB SER A 98 -0.491 4.934 -11.297 1.00 0.00 C ATOM 1554 OG SER A 98 0.246 5.968 -10.650 1.00 0.00 O ATOM 0 H SER A 98 -0.938 2.962 -9.195 1.00 0.00 H new ATOM 0 HA SER A 98 -2.320 5.325 -10.269 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.168 4.089 -11.497 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.849 5.293 -12.262 1.00 0.00 H new ATOM 0 HG SER A 98 0.997 6.239 -11.218 1.00 0.00 H new ATOM 1889 N MET A 121 -10.809 5.910 -2.552 1.00 0.00 N ATOM 1890 CA MET A 121 -9.638 5.070 -2.369 1.00 0.00 C ATOM 1891 C MET A 121 -8.434 5.900 -1.917 1.00 0.00 C ATOM 1892 O MET A 121 -7.695 5.491 -1.023 1.00 0.00 O ATOM 1893 CB MET A 121 -9.305 4.364 -3.685 1.00 0.00 C ATOM 1894 CG MET A 121 -9.545 2.857 -3.574 1.00 0.00 C ATOM 1895 SD MET A 121 -8.178 1.966 -4.298 1.00 0.00 S ATOM 1896 CE MET A 121 -8.770 0.292 -4.120 1.00 0.00 C ATOM 0 HA MET A 121 -9.860 4.333 -1.597 1.00 0.00 H new ATOM 0 HB2 MET A 121 -9.917 4.775 -4.488 1.00 0.00 H new ATOM 0 HB3 MET A 121 -8.264 4.552 -3.950 1.00 0.00 H new ATOM 0 HG2 MET A 121 -9.660 2.575 -2.527 1.00 0.00 H new ATOM 0 HG3 MET A 121 -10.473 2.590 -4.080 1.00 0.00 H new ATOM 0 HE1 MET A 121 -8.032 -0.400 -4.525 1.00 0.00 H new ATOM 0 HE2 MET A 121 -8.932 0.074 -3.064 1.00 0.00 H new ATOM 0 HE3 MET A 121 -9.709 0.179 -4.662 1.00 0.00 H new ATOM 1906 N ASP A 122 -8.276 7.050 -2.555 1.00 0.00 N ATOM 1907 CA ASP A 122 -7.175 7.941 -2.229 1.00 0.00 C ATOM 1908 C ASP A 122 -7.161 8.197 -0.721 1.00 0.00 C ATOM 1909 O ASP A 122 -6.103 8.175 -0.093 1.00 0.00 O ATOM 1910 CB ASP A 122 -7.328 9.288 -2.936 1.00 0.00 C ATOM 1911 CG ASP A 122 -6.397 10.393 -2.433 1.00 0.00 C ATOM 1912 OD1 ASP A 122 -5.194 10.316 -2.765 1.00 0.00 O ATOM 1913 OD2 ASP A 122 -6.909 11.289 -1.728 1.00 0.00 O ATOM 0 H ASP A 122 -8.892 7.386 -3.296 1.00 0.00 H new ATOM 0 HA ASP A 122 -6.250 7.466 -2.555 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -7.153 9.144 -4.002 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -8.359 9.624 -2.825 1.00 0.00 H new ATOM 1918 N ARG A 123 -8.348 8.435 -0.182 1.00 0.00 N ATOM 1919 CA ARG A 123 -8.486 8.696 1.240 1.00 0.00 C ATOM 1920 C ARG A 123 -8.104 7.453 2.047 1.00 0.00 C ATOM 1921 O ARG A 123 -7.295 7.533 2.971 1.00 0.00 O ATOM 1922 CB ARG A 123 -9.919 9.102 1.590 1.00 0.00 C ATOM 1923 CG ARG A 123 -10.205 10.538 1.147 1.00 0.00 C ATOM 1924 CD ARG A 123 -9.843 11.534 2.251 1.00 0.00 C ATOM 1925 NE ARG A 123 -10.797 12.666 2.244 1.00 0.00 N ATOM 1926 CZ ARG A 123 -10.713 13.714 1.414 1.00 0.00 C ATOM 1927 NH1 ARG A 123 -9.719 13.781 0.518 1.00 0.00 N ATOM 1928 NH2 ARG A 123 -11.624 14.695 1.479 1.00 0.00 N ATOM 0 H ARG A 123 -9.223 8.452 -0.705 1.00 0.00 H new ATOM 0 HA ARG A 123 -7.816 9.518 1.492 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -10.622 8.422 1.108 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -10.074 9.011 2.665 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -9.635 10.765 0.246 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -11.260 10.640 0.891 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -9.862 11.037 3.221 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -8.828 11.902 2.102 1.00 0.00 H new ATOM 0 HE ARG A 123 -11.567 12.647 2.913 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -9.026 13.034 0.468 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -9.655 14.579 -0.114 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -12.381 14.643 2.160 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -11.560 15.493 0.847 1.00 0.00 H new ATOM 1942 N GLY A 124 -8.704 6.334 1.669 1.00 0.00 N ATOM 1943 CA GLY A 124 -8.436 5.076 2.346 1.00 0.00 C ATOM 1944 C GLY A 124 -6.957 4.701 2.240 1.00 0.00 C ATOM 1945 O GLY A 124 -6.336 4.325 3.234 1.00 0.00 O ATOM 0 H GLY A 124 -9.375 6.272 0.903 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -8.720 5.156 3.395 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -9.047 4.286 1.909 1.00 0.00 H new ATOM 1949 N TRP A 125 -6.435 4.815 1.028 1.00 0.00 N ATOM 1950 CA TRP A 125 -5.041 4.492 0.780 1.00 0.00 C ATOM 1951 C TRP A 125 -4.187 5.299 1.760 1.00 0.00 C ATOM 1952 O TRP A 125 -3.191 4.798 2.280 1.00 0.00 O ATOM 1953 CB TRP A 125 -4.671 4.744 -0.683 1.00 0.00 C ATOM 1954 CG TRP A 125 -4.495 3.468 -1.509 1.00 0.00 C ATOM 1955 CD1 TRP A 125 -5.246 3.036 -2.532 1.00 0.00 C ATOM 1956 CD2 TRP A 125 -3.466 2.469 -1.340 1.00 0.00 C ATOM 1957 NE1 TRP A 125 -4.779 1.838 -3.032 1.00 0.00 N ATOM 1958 CE2 TRP A 125 -3.663 1.482 -2.284 1.00 0.00 C ATOM 1959 CE3 TRP A 125 -2.406 2.402 -0.420 1.00 0.00 C ATOM 1960 CZ2 TRP A 125 -2.838 0.357 -2.399 1.00 0.00 C ATOM 1961 CZ3 TRP A 125 -1.590 1.272 -0.548 1.00 0.00 C ATOM 1962 CH2 TRP A 125 -1.774 0.269 -1.493 1.00 0.00 C ATOM 0 H TRP A 125 -6.953 5.127 0.207 1.00 0.00 H new ATOM 0 HA TRP A 125 -4.856 3.431 0.948 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -5.446 5.358 -1.142 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -3.745 5.319 -0.719 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -6.108 3.560 -2.917 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -5.179 1.311 -3.808 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -2.234 3.163 0.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -3.013 -0.403 -3.147 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -0.759 1.172 0.135 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -1.100 -0.574 -1.528 1.00 0.00 H new ATOM 1973 N HIS A 126 -4.607 6.536 1.981 1.00 0.00 N ATOM 1974 CA HIS A 126 -3.894 7.417 2.889 1.00 0.00 C ATOM 1975 C HIS A 126 -4.130 6.968 4.333 1.00 0.00 C ATOM 1976 O HIS A 126 -3.179 6.725 5.074 1.00 0.00 O ATOM 1977 CB HIS A 126 -4.287 8.877 2.651 1.00 0.00 C ATOM 1978 CG HIS A 126 -3.287 9.877 3.180 1.00 0.00 C ATOM 1979 ND1 HIS A 126 -1.965 9.552 3.435 1.00 0.00 N ATOM 1980 CD2 HIS A 126 -3.428 11.195 3.498 1.00 0.00 C ATOM 1981 CE1 HIS A 126 -1.349 10.635 3.886 1.00 0.00 C ATOM 1982 NE2 HIS A 126 -2.257 11.652 3.925 1.00 0.00 N ATOM 0 H HIS A 126 -5.432 6.949 1.547 1.00 0.00 H new ATOM 0 HA HIS A 126 -2.823 7.353 2.696 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -4.415 9.038 1.581 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -5.254 9.063 3.119 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -4.338 11.770 3.416 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -0.310 10.701 4.173 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -2.068 12.606 4.232 1.00 0.00 H new ATOM 1990 N ASP A 127 -5.403 6.871 4.688 1.00 0.00 N ATOM 1991 CA ASP A 127 -5.776 6.455 6.029 1.00 0.00 C ATOM 1992 C ASP A 127 -5.077 5.136 6.362 1.00 0.00 C ATOM 1993 O ASP A 127 -4.635 4.931 7.492 1.00 0.00 O ATOM 1994 CB ASP A 127 -7.285 6.230 6.136 1.00 0.00 C ATOM 1995 CG ASP A 127 -8.135 7.500 6.058 1.00 0.00 C ATOM 1996 OD1 ASP A 127 -7.609 8.504 5.531 1.00 0.00 O ATOM 1997 OD2 ASP A 127 -9.293 7.438 6.526 1.00 0.00 O ATOM 0 H ASP A 127 -6.189 7.073 4.070 1.00 0.00 H new ATOM 0 HA ASP A 127 -5.479 7.243 6.721 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -7.594 5.554 5.338 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -7.496 5.727 7.080 1.00 0.00 H new ATOM 2002 N LEU A 128 -4.997 4.275 5.358 1.00 0.00 N ATOM 2003 CA LEU A 128 -4.359 2.981 5.530 1.00 0.00 C ATOM 2004 C LEU A 128 -2.888 3.187 5.897 1.00 0.00 C ATOM 2005 O LEU A 128 -2.408 2.634 6.885 1.00 0.00 O ATOM 2006 CB LEU A 128 -4.567 2.111 4.289 1.00 0.00 C ATOM 2007 CG LEU A 128 -3.836 0.767 4.281 1.00 0.00 C ATOM 2008 CD1 LEU A 128 -4.364 -0.151 5.384 1.00 0.00 C ATOM 2009 CD2 LEU A 128 -3.913 0.109 2.902 1.00 0.00 C ATOM 0 H LEU A 128 -5.364 4.448 4.422 1.00 0.00 H new ATOM 0 HA LEU A 128 -4.820 2.436 6.354 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -5.635 1.922 4.177 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -4.251 2.679 3.414 1.00 0.00 H new ATOM 0 HG LEU A 128 -2.782 0.950 4.492 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -3.827 -1.099 5.356 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -4.214 0.322 6.354 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -5.428 -0.331 5.229 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -3.386 -0.845 2.924 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -4.957 -0.060 2.637 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -3.452 0.762 2.161 1.00 0.00 H new ATOM 2021 N VAL A 129 -2.214 3.985 5.082 1.00 0.00 N ATOM 2022 CA VAL A 129 -0.808 4.271 5.308 1.00 0.00 C ATOM 2023 C VAL A 129 -0.680 5.532 6.166 1.00 0.00 C ATOM 2024 O VAL A 129 0.204 6.355 5.937 1.00 0.00 O ATOM 2025 CB VAL A 129 -0.074 4.381 3.970 1.00 0.00 C ATOM 2026 CG1 VAL A 129 -0.533 5.617 3.194 1.00 0.00 C ATOM 2027 CG2 VAL A 129 1.442 4.393 4.176 1.00 0.00 C ATOM 0 H VAL A 129 -2.616 4.443 4.264 1.00 0.00 H new ATOM 0 HA VAL A 129 -0.336 3.456 5.856 1.00 0.00 H new ATOM 0 HB VAL A 129 -0.324 3.501 3.377 1.00 0.00 H new ATOM 0 HG11 VAL A 129 0.004 5.672 2.247 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -1.604 5.549 3.001 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -0.327 6.512 3.781 1.00 0.00 H new ATOM 0 HG21 VAL A 129 1.940 4.472 3.210 1.00 0.00 H new ATOM 0 HG22 VAL A 129 1.718 5.245 4.797 1.00 0.00 H new ATOM 0 HG23 VAL A 129 1.750 3.470 4.668 1.00 0.00 H new ATOM 2037 N ASN A 130 -1.576 5.643 7.135 1.00 0.00 N ATOM 2038 CA ASN A 130 -1.575 6.789 8.028 1.00 0.00 C ATOM 2039 C ASN A 130 -1.409 6.307 9.470 1.00 0.00 C ATOM 2040 O ASN A 130 -0.383 6.562 10.100 1.00 0.00 O ATOM 2041 CB ASN A 130 -2.893 7.561 7.936 1.00 0.00 C ATOM 2042 CG ASN A 130 -2.649 9.016 7.532 1.00 0.00 C ATOM 2043 OD1 ASN A 130 -2.462 9.894 8.359 1.00 0.00 O ATOM 2044 ND2 ASN A 130 -2.663 9.223 6.218 1.00 0.00 N ATOM 0 H ASN A 130 -2.308 4.958 7.322 1.00 0.00 H new ATOM 0 HA ASN A 130 -0.753 7.443 7.736 1.00 0.00 H new ATOM 0 HB2 ASN A 130 -3.549 7.083 7.208 1.00 0.00 H new ATOM 0 HB3 ASN A 130 -3.406 7.528 8.897 1.00 0.00 H new ATOM 0 HD21 ASN A 130 -2.511 10.161 5.848 1.00 0.00 H new ATOM 0 HD22 ASN A 130 -2.825 8.443 5.581 1.00 0.00 H new ATOM 2051 N GLU A 131 -2.434 5.619 9.952 1.00 0.00 N ATOM 2052 CA GLU A 131 -2.414 5.099 11.308 1.00 0.00 C ATOM 2053 C GLU A 131 -2.550 3.575 11.295 1.00 0.00 C ATOM 2054 O GLU A 131 -1.966 2.889 12.132 1.00 0.00 O ATOM 2055 CB GLU A 131 -3.514 5.739 12.157 1.00 0.00 C ATOM 2056 CG GLU A 131 -4.895 5.483 11.549 1.00 0.00 C ATOM 2057 CD GLU A 131 -5.725 4.559 12.443 1.00 0.00 C ATOM 2058 OE1 GLU A 131 -5.338 3.375 12.548 1.00 0.00 O ATOM 2059 OE2 GLU A 131 -6.727 5.058 12.999 1.00 0.00 O ATOM 0 H GLU A 131 -3.283 5.410 9.427 1.00 0.00 H new ATOM 0 HA GLU A 131 -1.456 5.355 11.760 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -3.478 5.336 13.169 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -3.340 6.812 12.235 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -5.418 6.430 11.414 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -4.784 5.036 10.561 1.00 0.00 H new ATOM 2066 N ARG A 132 -3.323 3.090 10.334 1.00 0.00 N ATOM 2067 CA ARG A 132 -3.543 1.660 10.200 1.00 0.00 C ATOM 2068 C ARG A 132 -2.209 0.933 10.022 1.00 0.00 C ATOM 2069 O ARG A 132 -2.020 -0.164 10.547 1.00 0.00 O ATOM 2070 CB ARG A 132 -4.447 1.351 9.006 1.00 0.00 C ATOM 2071 CG ARG A 132 -5.773 2.108 9.111 1.00 0.00 C ATOM 2072 CD ARG A 132 -6.866 1.219 9.709 1.00 0.00 C ATOM 2073 NE ARG A 132 -8.013 2.049 10.139 1.00 0.00 N ATOM 2074 CZ ARG A 132 -9.012 1.605 10.915 1.00 0.00 C ATOM 2075 NH1 ARG A 132 -9.010 0.337 11.349 1.00 0.00 N ATOM 2076 NH2 ARG A 132 -10.013 2.428 11.255 1.00 0.00 N ATOM 0 H ARG A 132 -3.805 3.662 9.641 1.00 0.00 H new ATOM 0 HA ARG A 132 -4.032 1.313 11.110 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -3.940 1.625 8.081 1.00 0.00 H new ATOM 0 HB3 ARG A 132 -4.639 0.279 8.959 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -5.641 2.995 9.730 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -6.079 2.452 8.123 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -7.193 0.485 8.972 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -6.470 0.663 10.559 1.00 0.00 H new ATOM 0 HE ARG A 132 -8.046 3.019 9.826 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -8.249 -0.290 11.089 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -9.770 -0.001 11.939 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -10.015 3.393 10.923 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -10.773 2.090 11.845 1.00 0.00 H new ATOM 2090 N LEU A 133 -1.317 1.572 9.280 1.00 0.00 N ATOM 2091 CA LEU A 133 -0.005 1.000 9.027 1.00 0.00 C ATOM 2092 C LEU A 133 0.937 1.367 10.175 1.00 0.00 C ATOM 2093 O LEU A 133 1.864 0.620 10.484 1.00 0.00 O ATOM 2094 CB LEU A 133 0.508 1.425 7.650 1.00 0.00 C ATOM 2095 CG LEU A 133 2.012 1.268 7.416 1.00 0.00 C ATOM 2096 CD1 LEU A 133 2.427 -0.203 7.487 1.00 0.00 C ATOM 2097 CD2 LEU A 133 2.433 1.920 6.098 1.00 0.00 C ATOM 0 H LEU A 133 -1.477 2.481 8.845 1.00 0.00 H new ATOM 0 HA LEU A 133 -0.063 -0.088 8.998 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -0.020 0.845 6.893 1.00 0.00 H new ATOM 0 HB3 LEU A 133 0.243 2.471 7.493 1.00 0.00 H new ATOM 0 HG LEU A 133 2.539 1.790 8.215 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.500 -0.287 7.317 1.00 0.00 H new ATOM 0 HD12 LEU A 133 2.183 -0.603 8.471 1.00 0.00 H new ATOM 0 HD13 LEU A 133 1.894 -0.769 6.723 1.00 0.00 H new ATOM 0 HD21 LEU A 133 3.506 1.794 5.956 1.00 0.00 H new ATOM 0 HD22 LEU A 133 1.900 1.448 5.272 1.00 0.00 H new ATOM 0 HD23 LEU A 133 2.193 2.983 6.125 1.00 0.00 H new ATOM 2109 N ARG A 134 0.668 2.517 10.774 1.00 0.00 N ATOM 2110 CA ARG A 134 1.481 2.992 11.881 1.00 0.00 C ATOM 2111 C ARG A 134 1.332 2.062 13.087 1.00 0.00 C ATOM 2112 O ARG A 134 2.299 1.808 13.803 1.00 0.00 O ATOM 2113 CB ARG A 134 1.081 4.412 12.288 1.00 0.00 C ATOM 2114 CG ARG A 134 2.212 5.102 13.054 1.00 0.00 C ATOM 2115 CD ARG A 134 1.663 6.189 13.980 1.00 0.00 C ATOM 2116 NE ARG A 134 1.179 5.583 15.240 1.00 0.00 N ATOM 2117 CZ ARG A 134 0.294 6.164 16.062 1.00 0.00 C ATOM 2118 NH1 ARG A 134 -0.208 7.370 15.761 1.00 0.00 N ATOM 2119 NH2 ARG A 134 -0.088 5.540 17.185 1.00 0.00 N ATOM 0 H ARG A 134 -0.101 3.134 10.514 1.00 0.00 H new ATOM 0 HA ARG A 134 2.520 3.000 11.550 1.00 0.00 H new ATOM 0 HB2 ARG A 134 0.832 4.992 11.400 1.00 0.00 H new ATOM 0 HB3 ARG A 134 0.185 4.378 12.908 1.00 0.00 H new ATOM 0 HG2 ARG A 134 2.763 4.365 13.639 1.00 0.00 H new ATOM 0 HG3 ARG A 134 2.918 5.542 12.349 1.00 0.00 H new ATOM 0 HD2 ARG A 134 2.440 6.922 14.195 1.00 0.00 H new ATOM 0 HD3 ARG A 134 0.850 6.722 13.487 1.00 0.00 H new ATOM 0 HE ARG A 134 1.542 4.666 15.499 1.00 0.00 H new ATOM 0 HH11 ARG A 134 0.084 7.845 14.907 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -0.882 7.813 16.386 1.00 0.00 H new ATOM 0 HH21 ARG A 134 0.295 4.623 17.414 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -0.761 5.982 17.810 1.00 0.00 H new ATOM 2133 N GLN A 135 0.112 1.579 13.274 1.00 0.00 N ATOM 2134 CA GLN A 135 -0.176 0.682 14.380 1.00 0.00 C ATOM 2135 C GLN A 135 0.605 -0.625 14.221 1.00 0.00 C ATOM 2136 O GLN A 135 0.866 -1.319 15.203 1.00 0.00 O ATOM 2137 CB GLN A 135 -1.678 0.413 14.491 1.00 0.00 C ATOM 2138 CG GLN A 135 -2.154 0.551 15.939 1.00 0.00 C ATOM 2139 CD GLN A 135 -3.532 -0.086 16.126 1.00 0.00 C ATOM 2140 OE1 GLN A 135 -3.671 -1.285 16.301 1.00 0.00 O ATOM 2141 NE2 GLN A 135 -4.540 0.780 16.079 1.00 0.00 N ATOM 0 H GLN A 135 -0.688 1.792 12.678 1.00 0.00 H new ATOM 0 HA GLN A 135 0.143 1.163 15.305 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -2.224 1.111 13.857 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -1.900 -0.590 14.126 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -1.436 0.077 16.608 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -2.197 1.605 16.213 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -4.354 1.772 15.929 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -5.499 0.453 16.193 1.00 0.00 H new ATOM 2150 N ILE A 136 0.955 -0.920 12.978 1.00 0.00 N ATOM 2151 CA ILE A 136 1.700 -2.131 12.679 1.00 0.00 C ATOM 2152 C ILE A 136 3.100 -2.027 13.288 1.00 0.00 C ATOM 2153 O ILE A 136 3.726 -3.042 13.591 1.00 0.00 O ATOM 2154 CB ILE A 136 1.703 -2.399 11.172 1.00 0.00 C ATOM 2155 CG1 ILE A 136 0.276 -2.511 10.632 1.00 0.00 C ATOM 2156 CG2 ILE A 136 2.541 -3.635 10.837 1.00 0.00 C ATOM 2157 CD1 ILE A 136 -0.501 -3.610 11.359 1.00 0.00 C ATOM 0 H ILE A 136 0.737 -0.342 12.167 1.00 0.00 H new ATOM 0 HA ILE A 136 1.218 -2.997 13.133 1.00 0.00 H new ATOM 0 HB ILE A 136 2.170 -1.549 10.675 1.00 0.00 H new ATOM 0 HG12 ILE A 136 -0.238 -1.557 10.752 1.00 0.00 H new ATOM 0 HG13 ILE A 136 0.303 -2.726 9.564 1.00 0.00 H new ATOM 0 HG21 ILE A 136 2.527 -3.803 9.760 1.00 0.00 H new ATOM 0 HG22 ILE A 136 3.568 -3.478 11.166 1.00 0.00 H new ATOM 0 HG23 ILE A 136 2.126 -4.505 11.346 1.00 0.00 H new ATOM 0 HD11 ILE A 136 -1.512 -3.668 10.956 1.00 0.00 H new ATOM 0 HD12 ILE A 136 0.002 -4.566 11.217 1.00 0.00 H new ATOM 0 HD13 ILE A 136 -0.548 -3.379 12.423 1.00 0.00 H new ATOM 2169 N VAL A 137 3.550 -0.791 13.448 1.00 0.00 N ATOM 2170 CA VAL A 137 4.865 -0.542 14.015 1.00 0.00 C ATOM 2171 C VAL A 137 4.706 0.084 15.402 1.00 0.00 C ATOM 2172 O VAL A 137 5.637 0.064 16.206 1.00 0.00 O ATOM 2173 CB VAL A 137 5.691 0.322 13.061 1.00 0.00 C ATOM 2174 CG1 VAL A 137 6.061 -0.457 11.797 1.00 0.00 C ATOM 2175 CG2 VAL A 137 4.951 1.614 12.710 1.00 0.00 C ATOM 0 H VAL A 137 3.028 0.048 13.195 1.00 0.00 H new ATOM 0 HA VAL A 137 5.411 -1.477 14.140 1.00 0.00 H new ATOM 0 HB VAL A 137 6.615 0.593 13.571 1.00 0.00 H new ATOM 0 HG11 VAL A 137 6.648 0.180 11.136 1.00 0.00 H new ATOM 0 HG12 VAL A 137 6.647 -1.335 12.069 1.00 0.00 H new ATOM 0 HG13 VAL A 137 5.152 -0.772 11.285 1.00 0.00 H new ATOM 0 HG21 VAL A 137 5.561 2.209 12.031 1.00 0.00 H new ATOM 0 HG22 VAL A 137 4.003 1.371 12.229 1.00 0.00 H new ATOM 0 HG23 VAL A 137 4.761 2.183 13.620 1.00 0.00 H new ATOM 2185 N GLU A 138 3.520 0.625 15.641 1.00 0.00 N ATOM 2186 CA GLU A 138 3.228 1.255 16.917 1.00 0.00 C ATOM 2187 C GLU A 138 2.325 0.353 17.760 1.00 0.00 C ATOM 2188 O GLU A 138 1.682 0.817 18.700 1.00 0.00 O ATOM 2189 CB GLU A 138 2.593 2.632 16.715 1.00 0.00 C ATOM 2190 CG GLU A 138 3.665 3.714 16.566 1.00 0.00 C ATOM 2191 CD GLU A 138 3.542 4.764 17.672 1.00 0.00 C ATOM 2192 OE1 GLU A 138 4.119 4.518 18.753 1.00 0.00 O ATOM 2193 OE2 GLU A 138 2.875 5.788 17.411 1.00 0.00 O ATOM 0 H GLU A 138 2.750 0.640 14.972 1.00 0.00 H new ATOM 0 HA GLU A 138 4.166 1.399 17.453 1.00 0.00 H new ATOM 0 HB2 GLU A 138 1.960 2.618 15.828 1.00 0.00 H new ATOM 0 HB3 GLU A 138 1.949 2.867 17.562 1.00 0.00 H new ATOM 0 HG2 GLU A 138 4.654 3.258 16.601 1.00 0.00 H new ATOM 0 HG3 GLU A 138 3.570 4.194 15.592 1.00 0.00 H new