USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 866 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 88 SER OG : rot -54:sc= 0.194 USER MOD Set 1.2: A 91 ASN : amide:sc= 0.209 X(o=0.4,f=0.26) USER MOD Single : A 11 THR OG1 : rot -170:sc= -0.668 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0453) USER MOD Single : A 17 GLN : amide:sc= -0.137 K(o=-0.14,f=-2.2!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.319 X(o=-0.32,f=-0.057) USER MOD Single : A 33 LYS NZ :NH3+ -112:sc= -5.92! (180deg=-12.7!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.571 K(o=-0.57,f=-1.9) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.502 K(o=-0.5,f=-9.7!) USER MOD Single : A 46 LYS NZ :NH3+ -155:sc= -0.0546 (180deg=-0.433) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl -140:sc= -0.348 (180deg=-4.15!) USER MOD Single : A 52 SER OG : rot 174:sc= -0.925 USER MOD Single : A 59 ASN : amide:sc= 0.431 K(o=0.43,f=-5.6!) USER MOD Single : A 70 MET CE :methyl 168:sc= -2.66! (180deg=-2.81!) USER MOD Single : A 80 ASN : amide:sc= -1.47 X(o=-1.5,f=-0.97!) USER MOD Single : A 81 ASN : amide:sc= -0.331 K(o=-0.33,f=-1.1) USER MOD Single : A 82 GLN : amide:sc= -3.1! X(o=-3.1!,f=-2.9) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -0.113 X(o=-0.11,f=-0.45) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot -57:sc= 0.242 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot -12:sc= 1.14 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -0.528 K(o=-0.53,f=-2.6) USER MOD Single : A 115 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.3) USER MOD Single : A 117 MET CE :methyl -168:sc= -1.29 (180deg=-1.43) USER MOD ----------------------------------------------------------------- ATOM 88 N PHE A 10 1.743 -11.758 11.806 1.00 0.00 N ATOM 89 CA PHE A 10 1.503 -10.552 11.022 1.00 0.00 C ATOM 90 C PHE A 10 1.503 -9.314 11.914 1.00 0.00 C ATOM 91 O PHE A 10 0.855 -8.313 11.607 1.00 0.00 O ATOM 92 CB PHE A 10 0.170 -10.659 10.278 1.00 0.00 C ATOM 93 CG PHE A 10 0.160 -11.720 9.215 1.00 0.00 C ATOM 94 CD1 PHE A 10 -0.180 -13.027 9.525 1.00 0.00 C ATOM 95 CD2 PHE A 10 0.491 -11.410 7.906 1.00 0.00 C ATOM 96 CE1 PHE A 10 -0.190 -14.006 8.549 1.00 0.00 C ATOM 97 CE2 PHE A 10 0.482 -12.385 6.926 1.00 0.00 C ATOM 98 CZ PHE A 10 0.142 -13.684 7.248 1.00 0.00 C ATOM 0 HA PHE A 10 2.310 -10.454 10.296 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -0.622 -10.869 10.997 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.060 -9.696 9.821 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.440 -13.284 10.541 1.00 0.00 H new ATOM 0 HD2 PHE A 10 0.759 -10.396 7.648 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.457 -15.021 8.804 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.741 -12.131 5.909 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.136 -14.447 6.484 1.00 0.00 H new ATOM 108 N THR A 11 2.234 -9.390 13.021 1.00 0.00 N ATOM 109 CA THR A 11 2.318 -8.278 13.960 1.00 0.00 C ATOM 110 C THR A 11 3.320 -7.232 13.485 1.00 0.00 C ATOM 111 O THR A 11 4.350 -7.566 12.900 1.00 0.00 O ATOM 112 CB THR A 11 2.723 -8.759 15.366 1.00 0.00 C ATOM 113 OG1 THR A 11 3.865 -9.618 15.280 1.00 0.00 O ATOM 114 CG2 THR A 11 1.575 -9.498 16.037 1.00 0.00 C ATOM 0 H THR A 11 2.777 -10.211 13.290 1.00 0.00 H new ATOM 0 HA THR A 11 1.325 -7.830 14.009 1.00 0.00 H new ATOM 0 HB THR A 11 2.972 -7.884 15.967 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.020 -10.043 16.149 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.885 -9.828 17.029 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.717 -8.832 16.128 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.299 -10.364 15.436 1.00 0.00 H new ATOM 122 N ASP A 12 3.011 -5.965 13.740 1.00 0.00 N ATOM 123 CA ASP A 12 3.886 -4.869 13.340 1.00 0.00 C ATOM 124 C ASP A 12 5.352 -5.247 13.529 1.00 0.00 C ATOM 125 O ASP A 12 6.194 -4.946 12.684 1.00 0.00 O ATOM 126 CB ASP A 12 3.563 -3.610 14.145 1.00 0.00 C ATOM 127 CG ASP A 12 2.072 -3.353 14.245 1.00 0.00 C ATOM 128 OD1 ASP A 12 1.385 -3.433 13.204 1.00 0.00 O ATOM 129 OD2 ASP A 12 1.592 -3.072 15.363 1.00 0.00 O ATOM 0 H ASP A 12 2.161 -5.672 14.222 1.00 0.00 H new ATOM 0 HA ASP A 12 3.715 -4.668 12.282 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.980 -3.706 15.147 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.046 -2.751 13.680 1.00 0.00 H new ATOM 134 N GLN A 13 5.648 -5.908 14.644 1.00 0.00 N ATOM 135 CA GLN A 13 7.012 -6.325 14.944 1.00 0.00 C ATOM 136 C GLN A 13 7.537 -7.281 13.878 1.00 0.00 C ATOM 137 O GLN A 13 8.688 -7.181 13.452 1.00 0.00 O ATOM 138 CB GLN A 13 7.073 -6.992 16.319 1.00 0.00 C ATOM 139 CG GLN A 13 6.158 -8.199 16.450 1.00 0.00 C ATOM 140 CD GLN A 13 6.210 -8.824 17.831 1.00 0.00 C ATOM 141 OE1 GLN A 13 5.688 -8.268 18.797 1.00 0.00 O ATOM 142 NE2 GLN A 13 6.842 -9.988 17.930 1.00 0.00 N ATOM 0 H GLN A 13 4.962 -6.166 15.353 1.00 0.00 H new ATOM 0 HA GLN A 13 7.643 -5.436 14.951 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.099 -7.301 16.519 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.806 -6.260 17.081 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.134 -7.899 16.229 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.439 -8.945 15.707 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.260 -10.413 17.103 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.909 -10.457 18.833 1.00 0.00 H new ATOM 151 N LYS A 14 6.686 -8.207 13.451 1.00 0.00 N ATOM 152 CA LYS A 14 7.062 -9.182 12.434 1.00 0.00 C ATOM 153 C LYS A 14 7.014 -8.561 11.042 1.00 0.00 C ATOM 154 O LYS A 14 7.731 -8.988 10.137 1.00 0.00 O ATOM 155 CB LYS A 14 6.133 -10.397 12.494 1.00 0.00 C ATOM 156 CG LYS A 14 6.581 -11.456 13.486 1.00 0.00 C ATOM 157 CD LYS A 14 7.559 -12.433 12.855 1.00 0.00 C ATOM 158 CE LYS A 14 8.036 -13.472 13.859 1.00 0.00 C ATOM 159 NZ LYS A 14 6.942 -14.401 14.257 1.00 0.00 N ATOM 0 H LYS A 14 5.730 -8.303 13.794 1.00 0.00 H new ATOM 0 HA LYS A 14 8.084 -9.504 12.635 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.130 -10.064 12.759 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.069 -10.844 11.502 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.049 -10.976 14.346 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.712 -11.999 13.858 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.082 -12.933 12.012 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.416 -11.887 12.460 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.859 -14.043 13.428 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.426 -12.970 14.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.334 -15.173 14.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.230 -13.882 14.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.496 -14.798 13.405 1.00 0.00 H new ATOM 173 N ILE A 15 6.166 -7.551 10.878 1.00 0.00 N ATOM 174 CA ILE A 15 6.028 -6.870 9.597 1.00 0.00 C ATOM 175 C ILE A 15 7.250 -6.009 9.297 1.00 0.00 C ATOM 176 O ILE A 15 7.777 -6.026 8.184 1.00 0.00 O ATOM 177 CB ILE A 15 4.769 -5.984 9.563 1.00 0.00 C ATOM 178 CG1 ILE A 15 3.514 -6.834 9.774 1.00 0.00 C ATOM 179 CG2 ILE A 15 4.688 -5.228 8.245 1.00 0.00 C ATOM 180 CD1 ILE A 15 2.272 -6.018 10.054 1.00 0.00 C ATOM 0 H ILE A 15 5.564 -7.186 11.617 1.00 0.00 H new ATOM 0 HA ILE A 15 5.937 -7.645 8.836 1.00 0.00 H new ATOM 0 HB ILE A 15 4.833 -5.257 10.373 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.345 -7.445 8.887 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.684 -7.519 10.605 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.793 -4.606 8.237 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.569 -4.596 8.133 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.644 -5.939 7.420 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.422 -6.686 10.193 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.421 -5.427 10.958 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.077 -5.352 9.213 1.00 0.00 H new ATOM 192 N ARG A 16 7.698 -5.257 10.298 1.00 0.00 N ATOM 193 CA ARG A 16 8.859 -4.390 10.142 1.00 0.00 C ATOM 194 C ARG A 16 10.128 -5.212 9.933 1.00 0.00 C ATOM 195 O ARG A 16 10.990 -4.846 9.135 1.00 0.00 O ATOM 196 CB ARG A 16 9.018 -3.489 11.368 1.00 0.00 C ATOM 197 CG ARG A 16 9.400 -4.243 12.632 1.00 0.00 C ATOM 198 CD ARG A 16 9.289 -3.358 13.863 1.00 0.00 C ATOM 199 NE ARG A 16 9.879 -3.985 15.043 1.00 0.00 N ATOM 200 CZ ARG A 16 9.835 -3.451 16.258 1.00 0.00 C ATOM 201 NH1 ARG A 16 9.232 -2.286 16.453 1.00 0.00 N ATOM 202 NH2 ARG A 16 10.395 -4.082 17.282 1.00 0.00 N ATOM 0 H ARG A 16 7.274 -5.231 11.225 1.00 0.00 H new ATOM 0 HA ARG A 16 8.701 -3.768 9.261 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.779 -2.737 11.160 1.00 0.00 H new ATOM 0 HB3 ARG A 16 8.083 -2.957 11.541 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.753 -5.112 12.748 1.00 0.00 H new ATOM 0 HG3 ARG A 16 10.420 -4.615 12.541 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.786 -2.407 13.672 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.239 -3.136 14.057 1.00 0.00 H new ATOM 0 HE ARG A 16 10.351 -4.882 14.927 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.800 -1.798 15.668 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.200 -1.878 17.387 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.860 -4.978 17.136 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.361 -3.671 18.215 1.00 0.00 H new ATOM 216 N GLN A 17 10.233 -6.322 10.656 1.00 0.00 N ATOM 217 CA GLN A 17 11.397 -7.194 10.550 1.00 0.00 C ATOM 218 C GLN A 17 11.366 -7.987 9.247 1.00 0.00 C ATOM 219 O GLN A 17 12.411 -8.314 8.684 1.00 0.00 O ATOM 220 CB GLN A 17 11.453 -8.151 11.742 1.00 0.00 C ATOM 221 CG GLN A 17 12.178 -7.577 12.949 1.00 0.00 C ATOM 222 CD GLN A 17 12.747 -8.652 13.854 1.00 0.00 C ATOM 223 OE1 GLN A 17 12.817 -9.823 13.478 1.00 0.00 O ATOM 224 NE2 GLN A 17 13.156 -8.260 15.054 1.00 0.00 N ATOM 0 H GLN A 17 9.527 -6.639 11.321 1.00 0.00 H new ATOM 0 HA GLN A 17 12.290 -6.569 10.552 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.436 -8.417 12.032 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.948 -9.072 11.435 1.00 0.00 H new ATOM 0 HG2 GLN A 17 12.986 -6.929 12.609 1.00 0.00 H new ATOM 0 HG3 GLN A 17 11.489 -6.954 13.520 1.00 0.00 H new ATOM 0 HE21 GLN A 17 13.079 -7.279 15.324 1.00 0.00 H new ATOM 0 HE22 GLN A 17 13.547 -8.939 15.707 1.00 0.00 H new ATOM 233 N ARG A 18 10.162 -8.293 8.775 1.00 0.00 N ATOM 234 CA ARG A 18 9.996 -9.049 7.540 1.00 0.00 C ATOM 235 C ARG A 18 10.405 -8.213 6.331 1.00 0.00 C ATOM 236 O ARG A 18 11.049 -8.711 5.407 1.00 0.00 O ATOM 237 CB ARG A 18 8.544 -9.507 7.388 1.00 0.00 C ATOM 238 CG ARG A 18 8.219 -10.053 6.007 1.00 0.00 C ATOM 239 CD ARG A 18 6.956 -10.900 6.027 1.00 0.00 C ATOM 240 NE ARG A 18 7.233 -12.286 6.397 1.00 0.00 N ATOM 241 CZ ARG A 18 6.286 -13.179 6.663 1.00 0.00 C ATOM 242 NH1 ARG A 18 5.008 -12.833 6.600 1.00 0.00 N ATOM 243 NH2 ARG A 18 6.617 -14.421 6.993 1.00 0.00 N ATOM 0 H ARG A 18 9.288 -8.029 9.229 1.00 0.00 H new ATOM 0 HA ARG A 18 10.643 -9.925 7.591 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.335 -10.276 8.132 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.883 -8.667 7.602 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.093 -9.226 5.308 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.055 -10.652 5.645 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.243 -10.472 6.732 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.486 -10.874 5.044 1.00 0.00 H new ATOM 0 HE ARG A 18 8.207 -12.584 6.454 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.750 -11.879 6.347 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.283 -13.520 6.805 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.599 -14.691 7.043 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.889 -15.106 7.197 1.00 0.00 H new ATOM 257 N TYR A 19 10.028 -6.939 6.344 1.00 0.00 N ATOM 258 CA TYR A 19 10.352 -6.034 5.248 1.00 0.00 C ATOM 259 C TYR A 19 11.507 -5.111 5.628 1.00 0.00 C ATOM 260 O TYR A 19 11.794 -4.140 4.930 1.00 0.00 O ATOM 261 CB TYR A 19 9.126 -5.204 4.864 1.00 0.00 C ATOM 262 CG TYR A 19 7.961 -6.035 4.378 1.00 0.00 C ATOM 263 CD1 TYR A 19 8.009 -6.684 3.151 1.00 0.00 C ATOM 264 CD2 TYR A 19 6.811 -6.172 5.147 1.00 0.00 C ATOM 265 CE1 TYR A 19 6.946 -7.444 2.702 1.00 0.00 C ATOM 266 CE2 TYR A 19 5.744 -6.931 4.707 1.00 0.00 C ATOM 267 CZ TYR A 19 5.816 -7.564 3.484 1.00 0.00 C ATOM 268 OH TYR A 19 4.755 -8.322 3.041 1.00 0.00 O ATOM 0 H TYR A 19 9.497 -6.510 7.102 1.00 0.00 H new ATOM 0 HA TYR A 19 10.657 -6.635 4.392 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.809 -4.619 5.727 1.00 0.00 H new ATOM 0 HB3 TYR A 19 9.407 -4.496 4.084 1.00 0.00 H new ATOM 0 HD1 TYR A 19 8.893 -6.593 2.537 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.751 -5.677 6.105 1.00 0.00 H new ATOM 0 HE1 TYR A 19 7.000 -7.941 1.745 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.858 -7.028 5.317 1.00 0.00 H new ATOM 0 HH TYR A 19 4.039 -8.305 3.710 1.00 0.00 H new ATOM 278 N ALA A 20 12.165 -5.424 6.739 1.00 0.00 N ATOM 279 CA ALA A 20 13.289 -4.626 7.211 1.00 0.00 C ATOM 280 C ALA A 20 14.440 -4.653 6.211 1.00 0.00 C ATOM 281 O ALA A 20 15.291 -3.764 6.206 1.00 0.00 O ATOM 282 CB ALA A 20 13.757 -5.125 8.570 1.00 0.00 C ATOM 0 H ALA A 20 11.939 -6.225 7.329 1.00 0.00 H new ATOM 0 HA ALA A 20 12.953 -3.594 7.311 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.597 -4.520 8.910 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.940 -5.048 9.287 1.00 0.00 H new ATOM 0 HB3 ALA A 20 14.070 -6.166 8.487 1.00 0.00 H new ATOM 288 N ASP A 21 14.459 -5.678 5.366 1.00 0.00 N ATOM 289 CA ASP A 21 15.506 -5.820 4.361 1.00 0.00 C ATOM 290 C ASP A 21 15.364 -4.759 3.274 1.00 0.00 C ATOM 291 O ASP A 21 16.355 -4.308 2.699 1.00 0.00 O ATOM 292 CB ASP A 21 15.457 -7.216 3.737 1.00 0.00 C ATOM 293 CG ASP A 21 15.615 -8.317 4.768 1.00 0.00 C ATOM 294 OD1 ASP A 21 14.922 -8.262 5.806 1.00 0.00 O ATOM 295 OD2 ASP A 21 16.431 -9.233 4.536 1.00 0.00 O ATOM 0 H ASP A 21 13.762 -6.422 5.357 1.00 0.00 H new ATOM 0 HA ASP A 21 16.469 -5.683 4.853 1.00 0.00 H new ATOM 0 HB2 ASP A 21 14.509 -7.344 3.215 1.00 0.00 H new ATOM 0 HB3 ASP A 21 16.246 -7.305 2.991 1.00 0.00 H new ATOM 300 N LEU A 22 14.125 -4.365 2.998 1.00 0.00 N ATOM 301 CA LEU A 22 13.853 -3.356 1.980 1.00 0.00 C ATOM 302 C LEU A 22 14.686 -2.102 2.219 1.00 0.00 C ATOM 303 O LEU A 22 15.053 -1.776 3.348 1.00 0.00 O ATOM 304 CB LEU A 22 12.365 -3.000 1.972 1.00 0.00 C ATOM 305 CG LEU A 22 11.394 -4.177 1.875 1.00 0.00 C ATOM 306 CD1 LEU A 22 9.976 -3.681 1.636 1.00 0.00 C ATOM 307 CD2 LEU A 22 11.820 -5.131 0.768 1.00 0.00 C ATOM 0 H LEU A 22 13.294 -4.729 3.464 1.00 0.00 H new ATOM 0 HA LEU A 22 14.127 -3.771 1.010 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.140 -2.443 2.882 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.177 -2.330 1.133 1.00 0.00 H new ATOM 0 HG LEU A 22 11.414 -4.718 2.821 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.299 -4.533 1.570 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.671 -3.039 2.462 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.940 -3.116 0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.117 -5.962 0.714 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.830 -4.602 -0.185 1.00 0.00 H new ATOM 0 HD23 LEU A 22 12.818 -5.513 0.981 1.00 0.00 H new ATOM 319 N PRO A 23 14.992 -1.378 1.131 1.00 0.00 N ATOM 320 CA PRO A 23 15.783 -0.146 1.197 1.00 0.00 C ATOM 321 C PRO A 23 15.023 0.996 1.864 1.00 0.00 C ATOM 322 O PRO A 23 15.531 1.641 2.781 1.00 0.00 O ATOM 323 CB PRO A 23 16.055 0.181 -0.273 1.00 0.00 C ATOM 324 CG PRO A 23 14.936 -0.464 -1.017 1.00 0.00 C ATOM 325 CD PRO A 23 14.588 -1.706 -0.246 1.00 0.00 C ATOM 0 HA PRO A 23 16.686 -0.274 1.794 1.00 0.00 H new ATOM 0 HB2 PRO A 23 16.074 1.258 -0.442 1.00 0.00 H new ATOM 0 HB3 PRO A 23 17.021 -0.210 -0.594 1.00 0.00 H new ATOM 0 HG2 PRO A 23 14.078 0.205 -1.088 1.00 0.00 H new ATOM 0 HG3 PRO A 23 15.235 -0.708 -2.036 1.00 0.00 H new ATOM 0 HD2 PRO A 23 13.524 -1.933 -0.309 1.00 0.00 H new ATOM 0 HD3 PRO A 23 15.123 -2.577 -0.625 1.00 0.00 H new ATOM 333 N GLY A 24 13.802 1.240 1.399 1.00 0.00 N ATOM 334 CA GLY A 24 12.992 2.304 1.962 1.00 0.00 C ATOM 335 C GLY A 24 12.651 2.063 3.420 1.00 0.00 C ATOM 336 O GLY A 24 13.176 1.140 4.042 1.00 0.00 O ATOM 0 H GLY A 24 13.359 0.719 0.642 1.00 0.00 H new ATOM 0 HA2 GLY A 24 13.524 3.250 1.868 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.071 2.398 1.387 1.00 0.00 H new ATOM 340 N GLU A 25 11.770 2.896 3.965 1.00 0.00 N ATOM 341 CA GLU A 25 11.363 2.770 5.360 1.00 0.00 C ATOM 342 C GLU A 25 9.900 2.346 5.463 1.00 0.00 C ATOM 343 O GLU A 25 9.034 2.893 4.779 1.00 0.00 O ATOM 344 CB GLU A 25 11.574 4.093 6.098 1.00 0.00 C ATOM 345 CG GLU A 25 11.874 3.923 7.578 1.00 0.00 C ATOM 346 CD GLU A 25 12.995 2.936 7.837 1.00 0.00 C ATOM 347 OE1 GLU A 25 12.709 1.726 7.944 1.00 0.00 O ATOM 348 OE2 GLU A 25 14.161 3.376 7.932 1.00 0.00 O ATOM 0 H GLU A 25 11.325 3.664 3.463 1.00 0.00 H new ATOM 0 HA GLU A 25 11.981 2.001 5.824 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.396 4.634 5.629 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.682 4.709 5.985 1.00 0.00 H new ATOM 0 HG2 GLU A 25 12.141 4.890 8.004 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.973 3.586 8.091 1.00 0.00 H new ATOM 355 N LEU A 26 9.634 1.367 6.321 1.00 0.00 N ATOM 356 CA LEU A 26 8.276 0.868 6.514 1.00 0.00 C ATOM 357 C LEU A 26 7.420 1.891 7.253 1.00 0.00 C ATOM 358 O LEU A 26 7.844 2.461 8.258 1.00 0.00 O ATOM 359 CB LEU A 26 8.302 -0.449 7.292 1.00 0.00 C ATOM 360 CG LEU A 26 7.036 -1.302 7.210 1.00 0.00 C ATOM 361 CD1 LEU A 26 7.020 -2.112 5.923 1.00 0.00 C ATOM 362 CD2 LEU A 26 6.931 -2.218 8.420 1.00 0.00 C ATOM 0 H LEU A 26 10.339 0.903 6.894 1.00 0.00 H new ATOM 0 HA LEU A 26 7.836 0.695 5.532 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.141 -1.044 6.932 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.498 -0.225 8.341 1.00 0.00 H new ATOM 0 HG LEU A 26 6.173 -0.637 7.207 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.111 -2.713 5.882 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.047 -1.437 5.068 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.890 -2.768 5.895 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.024 -2.818 8.345 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.799 -2.876 8.455 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.895 -1.617 9.329 1.00 0.00 H new ATOM 374 N HIS A 27 6.211 2.118 6.748 1.00 0.00 N ATOM 375 CA HIS A 27 5.293 3.071 7.362 1.00 0.00 C ATOM 376 C HIS A 27 3.871 2.518 7.384 1.00 0.00 C ATOM 377 O HIS A 27 3.218 2.419 6.345 1.00 0.00 O ATOM 378 CB HIS A 27 5.324 4.400 6.607 1.00 0.00 C ATOM 379 CG HIS A 27 6.447 5.299 7.024 1.00 0.00 C ATOM 380 ND1 HIS A 27 6.303 6.296 7.966 1.00 0.00 N ATOM 381 CD2 HIS A 27 7.739 5.347 6.623 1.00 0.00 C ATOM 382 CE1 HIS A 27 7.458 6.919 8.125 1.00 0.00 C ATOM 383 NE2 HIS A 27 8.346 6.362 7.321 1.00 0.00 N ATOM 0 H HIS A 27 5.845 1.655 5.916 1.00 0.00 H new ATOM 0 HA HIS A 27 5.615 3.238 8.390 1.00 0.00 H new ATOM 0 HB2 HIS A 27 5.407 4.200 5.539 1.00 0.00 H new ATOM 0 HB3 HIS A 27 4.378 4.919 6.761 1.00 0.00 H new ATOM 0 HD2 HIS A 27 8.206 4.706 5.890 1.00 0.00 H new ATOM 0 HE1 HIS A 27 7.644 7.743 8.798 1.00 0.00 H new ATOM 0 HE2 HIS A 27 9.323 6.640 7.233 1.00 0.00 H new ATOM 392 N ILE A 28 3.399 2.160 8.573 1.00 0.00 N ATOM 393 CA ILE A 28 2.055 1.618 8.729 1.00 0.00 C ATOM 394 C ILE A 28 1.085 2.687 9.221 1.00 0.00 C ATOM 395 O ILE A 28 1.213 3.189 10.338 1.00 0.00 O ATOM 396 CB ILE A 28 2.037 0.433 9.712 1.00 0.00 C ATOM 397 CG1 ILE A 28 3.079 -0.611 9.306 1.00 0.00 C ATOM 398 CG2 ILE A 28 0.649 -0.190 9.765 1.00 0.00 C ATOM 399 CD1 ILE A 28 3.427 -1.580 10.414 1.00 0.00 C ATOM 0 H ILE A 28 3.927 2.235 9.442 1.00 0.00 H new ATOM 0 HA ILE A 28 1.739 1.269 7.746 1.00 0.00 H new ATOM 0 HB ILE A 28 2.288 0.802 10.707 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.705 -1.171 8.449 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.986 -0.100 8.983 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.652 -1.026 10.464 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.073 0.557 10.096 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.372 -0.547 8.773 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.171 -2.291 10.055 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.831 -1.031 11.264 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.530 -2.118 10.722 1.00 0.00 H new ATOM 411 N ILE A 29 0.114 3.029 8.380 1.00 0.00 N ATOM 412 CA ILE A 29 -0.880 4.036 8.731 1.00 0.00 C ATOM 413 C ILE A 29 -2.295 3.510 8.516 1.00 0.00 C ATOM 414 O ILE A 29 -2.578 2.855 7.513 1.00 0.00 O ATOM 415 CB ILE A 29 -0.692 5.323 7.907 1.00 0.00 C ATOM 416 CG1 ILE A 29 -0.857 5.028 6.415 1.00 0.00 C ATOM 417 CG2 ILE A 29 0.674 5.934 8.184 1.00 0.00 C ATOM 418 CD1 ILE A 29 -0.863 6.270 5.551 1.00 0.00 C ATOM 0 H ILE A 29 -0.005 2.624 7.452 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.737 4.266 9.787 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.457 6.041 8.203 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.048 4.373 6.091 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.789 4.484 6.261 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.792 6.843 7.594 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.756 6.176 9.244 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.453 5.222 7.913 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.984 5.985 4.506 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.689 6.916 5.849 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.079 6.804 5.675 1.00 0.00 H new ATOM 430 N GLU A 30 -3.180 3.804 9.463 1.00 0.00 N ATOM 431 CA GLU A 30 -4.567 3.361 9.375 1.00 0.00 C ATOM 432 C GLU A 30 -5.460 4.474 8.835 1.00 0.00 C ATOM 433 O GLU A 30 -5.721 5.463 9.520 1.00 0.00 O ATOM 434 CB GLU A 30 -5.069 2.910 10.748 1.00 0.00 C ATOM 435 CG GLU A 30 -4.834 1.435 11.028 1.00 0.00 C ATOM 436 CD GLU A 30 -4.659 1.142 12.506 1.00 0.00 C ATOM 437 OE1 GLU A 30 -3.969 1.927 13.189 1.00 0.00 O ATOM 438 OE2 GLU A 30 -5.213 0.127 12.978 1.00 0.00 O ATOM 0 H GLU A 30 -2.962 4.346 10.299 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.610 2.518 8.685 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.574 3.501 11.519 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.136 3.120 10.822 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.675 0.858 10.644 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.947 1.103 10.488 1.00 0.00 H new ATOM 445 N LEU A 31 -5.925 4.305 7.602 1.00 0.00 N ATOM 446 CA LEU A 31 -6.790 5.294 6.968 1.00 0.00 C ATOM 447 C LEU A 31 -8.237 4.813 6.937 1.00 0.00 C ATOM 448 O LEU A 31 -8.527 3.723 6.446 1.00 0.00 O ATOM 449 CB LEU A 31 -6.306 5.587 5.547 1.00 0.00 C ATOM 450 CG LEU A 31 -4.809 5.856 5.389 1.00 0.00 C ATOM 451 CD1 LEU A 31 -4.435 5.942 3.918 1.00 0.00 C ATOM 452 CD2 LEU A 31 -4.418 7.135 6.116 1.00 0.00 C ATOM 0 H LEU A 31 -5.718 3.492 7.021 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.745 6.210 7.556 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.572 4.741 4.913 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.852 6.452 5.170 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.261 5.026 5.834 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.366 6.134 3.825 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.679 5.001 3.425 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.991 6.753 3.448 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.349 7.311 5.993 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.974 7.975 5.700 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.650 7.036 7.176 1.00 0.00 H new ATOM 464 N GLU A 32 -9.140 5.635 7.462 1.00 0.00 N ATOM 465 CA GLU A 32 -10.557 5.293 7.493 1.00 0.00 C ATOM 466 C GLU A 32 -11.208 5.550 6.137 1.00 0.00 C ATOM 467 O GLU A 32 -11.361 6.697 5.716 1.00 0.00 O ATOM 468 CB GLU A 32 -11.276 6.098 8.577 1.00 0.00 C ATOM 469 CG GLU A 32 -12.469 5.377 9.181 1.00 0.00 C ATOM 470 CD GLU A 32 -13.378 6.306 9.962 1.00 0.00 C ATOM 471 OE1 GLU A 32 -13.041 6.633 11.119 1.00 0.00 O ATOM 472 OE2 GLU A 32 -14.427 6.706 9.415 1.00 0.00 O ATOM 0 H GLU A 32 -8.916 6.542 7.871 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.643 4.231 7.723 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.567 6.337 9.370 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.611 7.044 8.153 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.041 4.899 8.386 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.114 4.584 9.839 1.00 0.00 H new ATOM 479 N LYS A 33 -11.589 4.474 5.456 1.00 0.00 N ATOM 480 CA LYS A 33 -12.224 4.581 4.148 1.00 0.00 C ATOM 481 C LYS A 33 -13.323 5.639 4.161 1.00 0.00 C ATOM 482 O LYS A 33 -14.282 5.543 4.927 1.00 0.00 O ATOM 483 CB LYS A 33 -12.809 3.229 3.731 1.00 0.00 C ATOM 484 CG LYS A 33 -11.760 2.223 3.290 1.00 0.00 C ATOM 485 CD LYS A 33 -12.329 1.221 2.300 1.00 0.00 C ATOM 486 CE LYS A 33 -12.897 0.000 3.007 1.00 0.00 C ATOM 487 NZ LYS A 33 -11.831 -0.971 3.381 1.00 0.00 N ATOM 0 H LYS A 33 -11.469 3.517 5.789 1.00 0.00 H new ATOM 0 HA LYS A 33 -11.464 4.881 3.426 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -13.371 2.812 4.567 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -13.517 3.384 2.917 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -10.920 2.748 2.835 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.372 1.695 4.161 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -13.111 1.697 1.708 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.548 0.910 1.606 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.432 0.315 3.903 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -13.623 -0.490 2.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.935 -1.836 2.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -10.898 -0.549 3.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.915 -1.207 4.391 1.00 0.00 H new ATOM 501 N ASP A 34 -13.176 6.647 3.309 1.00 0.00 N ATOM 502 CA ASP A 34 -14.157 7.723 3.220 1.00 0.00 C ATOM 503 C ASP A 34 -15.369 7.287 2.402 1.00 0.00 C ATOM 504 O ASP A 34 -15.428 6.159 1.913 1.00 0.00 O ATOM 505 CB ASP A 34 -13.526 8.968 2.596 1.00 0.00 C ATOM 506 CG ASP A 34 -14.305 10.231 2.909 1.00 0.00 C ATOM 507 OD1 ASP A 34 -15.025 10.247 3.929 1.00 0.00 O ATOM 508 OD2 ASP A 34 -14.193 11.203 2.134 1.00 0.00 O ATOM 0 H ASP A 34 -12.387 6.742 2.670 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.490 7.962 4.230 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.504 9.075 2.960 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.467 8.839 1.515 1.00 0.00 H new ATOM 513 N LYS A 35 -16.334 8.189 2.258 1.00 0.00 N ATOM 514 CA LYS A 35 -17.545 7.899 1.499 1.00 0.00 C ATOM 515 C LYS A 35 -17.211 7.188 0.192 1.00 0.00 C ATOM 516 O LYS A 35 -18.052 6.498 -0.383 1.00 0.00 O ATOM 517 CB LYS A 35 -18.310 9.192 1.207 1.00 0.00 C ATOM 518 CG LYS A 35 -17.491 10.227 0.455 1.00 0.00 C ATOM 519 CD LYS A 35 -18.364 11.355 -0.068 1.00 0.00 C ATOM 520 CE LYS A 35 -17.527 12.540 -0.528 1.00 0.00 C ATOM 521 NZ LYS A 35 -18.265 13.399 -1.494 1.00 0.00 N ATOM 0 H LYS A 35 -16.301 9.127 2.657 1.00 0.00 H new ATOM 0 HA LYS A 35 -18.172 7.241 2.100 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -19.201 8.954 0.626 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -18.650 9.624 2.148 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -16.724 10.634 1.114 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -16.975 9.749 -0.378 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -18.970 10.992 -0.898 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -19.053 11.676 0.714 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -17.234 13.135 0.337 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -16.609 12.178 -0.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -17.661 14.195 -1.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -18.523 12.838 -2.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -19.128 13.765 -1.044 1.00 0.00 H new ATOM 535 N ASN A 36 -15.977 7.359 -0.271 1.00 0.00 N ATOM 536 CA ASN A 36 -15.532 6.733 -1.511 1.00 0.00 C ATOM 537 C ASN A 36 -14.544 5.605 -1.226 1.00 0.00 C ATOM 538 O ASN A 36 -14.584 4.555 -1.865 1.00 0.00 O ATOM 539 CB ASN A 36 -14.885 7.772 -2.429 1.00 0.00 C ATOM 540 CG ASN A 36 -13.725 8.488 -1.764 1.00 0.00 C ATOM 541 OD1 ASN A 36 -12.579 8.046 -1.845 1.00 0.00 O ATOM 542 ND2 ASN A 36 -14.019 9.601 -1.102 1.00 0.00 N ATOM 0 H ASN A 36 -15.267 7.926 0.194 1.00 0.00 H new ATOM 0 HA ASN A 36 -16.405 6.312 -2.009 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -14.534 7.282 -3.337 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -15.635 8.503 -2.731 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -13.280 10.126 -0.634 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -14.983 9.930 -1.061 1.00 0.00 H new ATOM 549 N GLY A 37 -13.659 5.831 -0.260 1.00 0.00 N ATOM 550 CA GLY A 37 -12.674 4.825 0.094 1.00 0.00 C ATOM 551 C GLY A 37 -11.252 5.322 -0.075 1.00 0.00 C ATOM 552 O GLY A 37 -11.027 6.502 -0.346 1.00 0.00 O ATOM 0 H GLY A 37 -13.606 6.692 0.284 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.828 4.518 1.129 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.823 3.941 -0.526 1.00 0.00 H new ATOM 556 N LEU A 38 -10.289 4.421 0.087 1.00 0.00 N ATOM 557 CA LEU A 38 -8.880 4.774 -0.048 1.00 0.00 C ATOM 558 C LEU A 38 -8.552 5.168 -1.484 1.00 0.00 C ATOM 559 O LEU A 38 -7.932 4.404 -2.222 1.00 0.00 O ATOM 560 CB LEU A 38 -7.997 3.603 0.386 1.00 0.00 C ATOM 561 CG LEU A 38 -8.396 2.908 1.688 1.00 0.00 C ATOM 562 CD1 LEU A 38 -7.449 1.757 1.990 1.00 0.00 C ATOM 563 CD2 LEU A 38 -8.415 3.902 2.840 1.00 0.00 C ATOM 0 H LEU A 38 -10.458 3.441 0.312 1.00 0.00 H new ATOM 0 HA LEU A 38 -8.682 5.630 0.598 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.994 2.861 -0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.974 3.964 0.489 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.401 2.503 1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.748 1.274 2.920 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.486 1.032 1.177 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.433 2.139 2.090 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.701 3.389 3.758 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.423 4.337 2.961 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.134 4.693 2.627 1.00 0.00 H new ATOM 575 N GLY A 39 -8.973 6.368 -1.874 1.00 0.00 N ATOM 576 CA GLY A 39 -8.713 6.844 -3.220 1.00 0.00 C ATOM 577 C GLY A 39 -7.231 6.932 -3.528 1.00 0.00 C ATOM 578 O GLY A 39 -6.588 7.941 -3.235 1.00 0.00 O ATOM 0 H GLY A 39 -9.489 7.018 -1.282 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.191 6.176 -3.937 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.167 7.827 -3.348 1.00 0.00 H new ATOM 582 N LEU A 40 -6.687 5.874 -4.119 1.00 0.00 N ATOM 583 CA LEU A 40 -5.270 5.836 -4.465 1.00 0.00 C ATOM 584 C LEU A 40 -5.064 5.224 -5.847 1.00 0.00 C ATOM 585 O LEU A 40 -5.720 4.247 -6.208 1.00 0.00 O ATOM 586 CB LEU A 40 -4.491 5.037 -3.419 1.00 0.00 C ATOM 587 CG LEU A 40 -4.601 5.533 -1.977 1.00 0.00 C ATOM 588 CD1 LEU A 40 -4.430 4.379 -1.001 1.00 0.00 C ATOM 589 CD2 LEU A 40 -3.569 6.619 -1.707 1.00 0.00 C ATOM 0 H LEU A 40 -7.205 5.031 -4.369 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.897 6.860 -4.482 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.832 4.002 -3.453 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.438 5.035 -3.702 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.594 5.959 -1.834 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.511 4.751 0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.206 3.634 -1.179 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.450 3.924 -1.144 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.661 6.961 -0.676 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.568 6.218 -1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.737 7.457 -2.383 1.00 0.00 H new ATOM 601 N SER A 41 -4.147 5.804 -6.614 1.00 0.00 N ATOM 602 CA SER A 41 -3.855 5.317 -7.957 1.00 0.00 C ATOM 603 C SER A 41 -2.704 4.316 -7.934 1.00 0.00 C ATOM 604 O SER A 41 -1.556 4.678 -7.672 1.00 0.00 O ATOM 605 CB SER A 41 -3.511 6.485 -8.883 1.00 0.00 C ATOM 606 OG SER A 41 -4.646 7.300 -9.119 1.00 0.00 O ATOM 0 H SER A 41 -3.593 6.612 -6.329 1.00 0.00 H new ATOM 0 HA SER A 41 -4.745 4.813 -8.335 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.716 7.083 -8.439 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.131 6.102 -9.830 1.00 0.00 H new ATOM 0 HG SER A 41 -4.400 8.040 -9.712 1.00 0.00 H new ATOM 612 N LEU A 42 -3.018 3.055 -8.209 1.00 0.00 N ATOM 613 CA LEU A 42 -2.011 2.000 -8.220 1.00 0.00 C ATOM 614 C LEU A 42 -1.497 1.752 -9.634 1.00 0.00 C ATOM 615 O LEU A 42 -2.218 1.954 -10.611 1.00 0.00 O ATOM 616 CB LEU A 42 -2.592 0.708 -7.642 1.00 0.00 C ATOM 617 CG LEU A 42 -3.324 0.839 -6.306 1.00 0.00 C ATOM 618 CD1 LEU A 42 -3.949 -0.489 -5.908 1.00 0.00 C ATOM 619 CD2 LEU A 42 -2.374 1.330 -5.224 1.00 0.00 C ATOM 0 H LEU A 42 -3.963 2.738 -8.427 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.174 2.324 -7.601 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.283 0.286 -8.372 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.780 -0.009 -7.520 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.122 1.573 -6.420 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.466 -0.377 -4.955 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.661 -0.800 -6.672 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.169 -1.244 -5.811 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.912 1.417 -4.280 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.554 0.621 -5.110 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.974 2.304 -5.505 1.00 0.00 H new ATOM 631 N ALA A 43 -0.247 1.312 -9.736 1.00 0.00 N ATOM 632 CA ALA A 43 0.362 1.032 -11.030 1.00 0.00 C ATOM 633 C ALA A 43 1.436 -0.043 -10.911 1.00 0.00 C ATOM 634 O ALA A 43 2.330 0.049 -10.071 1.00 0.00 O ATOM 635 CB ALA A 43 0.949 2.304 -11.622 1.00 0.00 C ATOM 0 H ALA A 43 0.364 1.142 -8.937 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.415 0.658 -11.697 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.401 2.081 -12.589 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.158 3.043 -11.753 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.709 2.701 -10.949 1.00 0.00 H new ATOM 641 N GLY A 44 1.341 -1.065 -11.756 1.00 0.00 N ATOM 642 CA GLY A 44 2.310 -2.145 -11.728 1.00 0.00 C ATOM 643 C GLY A 44 3.700 -1.686 -12.125 1.00 0.00 C ATOM 644 O GLY A 44 3.861 -0.929 -13.081 1.00 0.00 O ATOM 0 H GLY A 44 0.610 -1.164 -12.460 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.344 -2.573 -10.726 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.986 -2.938 -12.402 1.00 0.00 H new ATOM 648 N ASN A 45 4.706 -2.146 -11.388 1.00 0.00 N ATOM 649 CA ASN A 45 6.089 -1.776 -11.668 1.00 0.00 C ATOM 650 C ASN A 45 6.323 -1.642 -13.169 1.00 0.00 C ATOM 651 O ASN A 45 5.793 -2.419 -13.964 1.00 0.00 O ATOM 652 CB ASN A 45 7.045 -2.817 -11.082 1.00 0.00 C ATOM 653 CG ASN A 45 8.500 -2.463 -11.319 1.00 0.00 C ATOM 654 OD1 ASN A 45 8.930 -2.285 -12.459 1.00 0.00 O ATOM 655 ND2 ASN A 45 9.267 -2.360 -10.239 1.00 0.00 N ATOM 0 H ASN A 45 4.590 -2.775 -10.593 1.00 0.00 H new ATOM 0 HA ASN A 45 6.283 -0.810 -11.201 1.00 0.00 H new ATOM 0 HB2 ASN A 45 6.866 -2.909 -10.011 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.834 -3.790 -11.525 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.255 -2.125 -10.336 1.00 0.00 H new ATOM 0 HD22 ASN A 45 8.868 -2.516 -9.313 1.00 0.00 H new ATOM 662 N LYS A 46 7.122 -0.651 -13.552 1.00 0.00 N ATOM 663 CA LYS A 46 7.429 -0.415 -14.957 1.00 0.00 C ATOM 664 C LYS A 46 7.509 -1.730 -15.726 1.00 0.00 C ATOM 665 O LYS A 46 6.940 -1.863 -16.809 1.00 0.00 O ATOM 666 CB LYS A 46 8.750 0.347 -15.090 1.00 0.00 C ATOM 667 CG LYS A 46 8.647 1.814 -14.709 1.00 0.00 C ATOM 668 CD LYS A 46 10.015 2.417 -14.437 1.00 0.00 C ATOM 669 CE LYS A 46 10.037 3.907 -14.737 1.00 0.00 C ATOM 670 NZ LYS A 46 9.870 4.183 -16.191 1.00 0.00 N ATOM 0 H LYS A 46 7.569 0.002 -12.908 1.00 0.00 H new ATOM 0 HA LYS A 46 6.625 0.185 -15.383 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.501 -0.131 -14.461 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.101 0.271 -16.119 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.158 2.366 -15.512 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.020 1.918 -13.823 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.286 2.251 -13.394 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.764 1.911 -15.046 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.241 4.401 -14.180 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.979 4.333 -14.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.296 5.104 -16.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.340 3.437 -16.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.857 4.202 -16.427 1.00 0.00 H new ATOM 684 N ASP A 47 8.217 -2.700 -15.157 1.00 0.00 N ATOM 685 CA ASP A 47 8.369 -4.006 -15.787 1.00 0.00 C ATOM 686 C ASP A 47 7.249 -4.949 -15.361 1.00 0.00 C ATOM 687 O ASP A 47 7.198 -5.389 -14.212 1.00 0.00 O ATOM 688 CB ASP A 47 9.727 -4.613 -15.431 1.00 0.00 C ATOM 689 CG ASP A 47 10.246 -5.545 -16.508 1.00 0.00 C ATOM 690 OD1 ASP A 47 10.485 -5.070 -17.639 1.00 0.00 O ATOM 691 OD2 ASP A 47 10.413 -6.749 -16.221 1.00 0.00 O ATOM 0 H ASP A 47 8.695 -2.606 -14.261 1.00 0.00 H new ATOM 0 HA ASP A 47 8.313 -3.869 -16.867 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.448 -3.812 -15.270 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.642 -5.160 -14.492 1.00 0.00 H new ATOM 696 N ARG A 48 6.352 -5.254 -16.293 1.00 0.00 N ATOM 697 CA ARG A 48 5.231 -6.143 -16.013 1.00 0.00 C ATOM 698 C ARG A 48 5.703 -7.406 -15.300 1.00 0.00 C ATOM 699 O ARG A 48 5.118 -7.822 -14.300 1.00 0.00 O ATOM 700 CB ARG A 48 4.512 -6.516 -17.311 1.00 0.00 C ATOM 701 CG ARG A 48 3.045 -6.865 -17.116 1.00 0.00 C ATOM 702 CD ARG A 48 2.168 -5.624 -17.150 1.00 0.00 C ATOM 703 NE ARG A 48 0.776 -5.945 -17.456 1.00 0.00 N ATOM 704 CZ ARG A 48 0.311 -6.095 -18.691 1.00 0.00 C ATOM 705 NH1 ARG A 48 1.123 -5.953 -19.730 1.00 0.00 N ATOM 706 NH2 ARG A 48 -0.968 -6.387 -18.888 1.00 0.00 N ATOM 0 H ARG A 48 6.380 -4.898 -17.249 1.00 0.00 H new ATOM 0 HA ARG A 48 4.537 -5.616 -15.359 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.589 -5.684 -18.011 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.021 -7.365 -17.768 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.728 -7.557 -17.896 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.915 -7.377 -16.163 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.220 -5.117 -16.186 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.552 -4.929 -17.897 1.00 0.00 H new ATOM 0 HE ARG A 48 0.126 -6.060 -16.679 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.107 -5.728 -19.581 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.764 -6.069 -20.678 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -1.595 -6.496 -18.091 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -1.325 -6.502 -19.837 1.00 0.00 H new ATOM 720 N SER A 49 6.765 -8.012 -15.821 1.00 0.00 N ATOM 721 CA SER A 49 7.314 -9.230 -15.237 1.00 0.00 C ATOM 722 C SER A 49 7.444 -9.096 -13.723 1.00 0.00 C ATOM 723 O SER A 49 7.367 -10.084 -12.992 1.00 0.00 O ATOM 724 CB SER A 49 8.679 -9.546 -15.851 1.00 0.00 C ATOM 725 OG SER A 49 8.547 -9.972 -17.196 1.00 0.00 O ATOM 0 H SER A 49 7.263 -7.679 -16.647 1.00 0.00 H new ATOM 0 HA SER A 49 6.628 -10.048 -15.455 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.315 -8.662 -15.807 1.00 0.00 H new ATOM 0 HB3 SER A 49 9.173 -10.323 -15.267 1.00 0.00 H new ATOM 0 HG SER A 49 9.433 -10.166 -17.566 1.00 0.00 H new ATOM 731 N ARG A 50 7.640 -7.866 -13.259 1.00 0.00 N ATOM 732 CA ARG A 50 7.782 -7.601 -11.833 1.00 0.00 C ATOM 733 C ARG A 50 6.424 -7.332 -11.192 1.00 0.00 C ATOM 734 O ARG A 50 5.933 -6.203 -11.206 1.00 0.00 O ATOM 735 CB ARG A 50 8.711 -6.407 -11.604 1.00 0.00 C ATOM 736 CG ARG A 50 10.182 -6.786 -11.530 1.00 0.00 C ATOM 737 CD ARG A 50 10.968 -5.801 -10.678 1.00 0.00 C ATOM 738 NE ARG A 50 12.348 -6.233 -10.476 1.00 0.00 N ATOM 739 CZ ARG A 50 13.178 -5.661 -9.611 1.00 0.00 C ATOM 740 NH1 ARG A 50 12.769 -4.641 -8.870 1.00 0.00 N ATOM 741 NH2 ARG A 50 14.420 -6.111 -9.484 1.00 0.00 N ATOM 0 H ARG A 50 7.704 -7.037 -13.850 1.00 0.00 H new ATOM 0 HA ARG A 50 8.216 -8.485 -11.367 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.570 -5.687 -12.411 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.426 -5.908 -10.678 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.280 -7.788 -11.114 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.602 -6.816 -12.535 1.00 0.00 H new ATOM 0 HD2 ARG A 50 10.961 -4.822 -11.156 1.00 0.00 H new ATOM 0 HD3 ARG A 50 10.478 -5.687 -9.711 1.00 0.00 H new ATOM 0 HE ARG A 50 12.694 -7.017 -11.029 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.815 -4.293 -8.963 1.00 0.00 H new ATOM 0 HH12 ARG A 50 13.409 -4.204 -8.207 1.00 0.00 H new ATOM 0 HH21 ARG A 50 14.738 -6.897 -10.051 1.00 0.00 H new ATOM 0 HH22 ARG A 50 15.056 -5.671 -8.819 1.00 0.00 H new ATOM 755 N MET A 51 5.822 -8.376 -10.632 1.00 0.00 N ATOM 756 CA MET A 51 4.521 -8.252 -9.985 1.00 0.00 C ATOM 757 C MET A 51 4.635 -7.474 -8.678 1.00 0.00 C ATOM 758 O MET A 51 4.935 -8.045 -7.630 1.00 0.00 O ATOM 759 CB MET A 51 3.925 -9.636 -9.719 1.00 0.00 C ATOM 760 CG MET A 51 2.430 -9.612 -9.450 1.00 0.00 C ATOM 761 SD MET A 51 1.450 -9.766 -10.956 1.00 0.00 S ATOM 762 CE MET A 51 1.289 -8.047 -11.432 1.00 0.00 C ATOM 0 H MET A 51 6.214 -9.317 -10.613 1.00 0.00 H new ATOM 0 HA MET A 51 3.860 -7.704 -10.657 1.00 0.00 H new ATOM 0 HB2 MET A 51 4.121 -10.278 -10.578 1.00 0.00 H new ATOM 0 HB3 MET A 51 4.433 -10.083 -8.864 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.174 -10.425 -8.770 1.00 0.00 H new ATOM 0 HG3 MET A 51 2.170 -8.681 -8.946 1.00 0.00 H new ATOM 0 HE1 MET A 51 0.280 -7.865 -11.802 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.479 -7.411 -10.568 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.010 -7.818 -12.217 1.00 0.00 H new ATOM 772 N SER A 52 4.395 -6.169 -8.748 1.00 0.00 N ATOM 773 CA SER A 52 4.475 -5.313 -7.570 1.00 0.00 C ATOM 774 C SER A 52 3.504 -4.141 -7.683 1.00 0.00 C ATOM 775 O SER A 52 3.216 -3.664 -8.781 1.00 0.00 O ATOM 776 CB SER A 52 5.902 -4.792 -7.388 1.00 0.00 C ATOM 777 OG SER A 52 6.559 -4.660 -8.637 1.00 0.00 O ATOM 0 H SER A 52 4.144 -5.681 -9.608 1.00 0.00 H new ATOM 0 HA SER A 52 4.199 -5.908 -6.699 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.879 -3.827 -6.882 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.463 -5.474 -6.749 1.00 0.00 H new ATOM 0 HG SER A 52 7.432 -4.235 -8.504 1.00 0.00 H new ATOM 783 N ILE A 53 3.004 -3.683 -6.541 1.00 0.00 N ATOM 784 CA ILE A 53 2.067 -2.567 -6.510 1.00 0.00 C ATOM 785 C ILE A 53 2.743 -1.295 -6.008 1.00 0.00 C ATOM 786 O ILE A 53 3.598 -1.342 -5.124 1.00 0.00 O ATOM 787 CB ILE A 53 0.852 -2.876 -5.616 1.00 0.00 C ATOM 788 CG1 ILE A 53 0.320 -4.281 -5.909 1.00 0.00 C ATOM 789 CG2 ILE A 53 -0.239 -1.837 -5.827 1.00 0.00 C ATOM 790 CD1 ILE A 53 -0.339 -4.939 -4.717 1.00 0.00 C ATOM 0 H ILE A 53 3.232 -4.068 -5.624 1.00 0.00 H new ATOM 0 HA ILE A 53 1.725 -2.414 -7.534 1.00 0.00 H new ATOM 0 HB ILE A 53 1.168 -2.837 -4.573 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.399 -4.225 -6.726 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.143 -4.908 -6.251 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.091 -2.069 -5.188 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.146 -0.849 -5.574 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.554 -1.847 -6.870 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.692 -5.931 -4.998 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.383 -5.027 -3.905 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.183 -4.333 -4.388 1.00 0.00 H new ATOM 802 N PHE A 54 2.351 -0.160 -6.577 1.00 0.00 N ATOM 803 CA PHE A 54 2.918 1.126 -6.187 1.00 0.00 C ATOM 804 C PHE A 54 1.839 2.203 -6.135 1.00 0.00 C ATOM 805 O PHE A 54 0.691 1.967 -6.513 1.00 0.00 O ATOM 806 CB PHE A 54 4.020 1.539 -7.165 1.00 0.00 C ATOM 807 CG PHE A 54 5.311 0.799 -6.961 1.00 0.00 C ATOM 808 CD1 PHE A 54 6.120 1.077 -5.871 1.00 0.00 C ATOM 809 CD2 PHE A 54 5.717 -0.174 -7.860 1.00 0.00 C ATOM 810 CE1 PHE A 54 7.308 0.397 -5.680 1.00 0.00 C ATOM 811 CE2 PHE A 54 6.904 -0.857 -7.674 1.00 0.00 C ATOM 812 CZ PHE A 54 7.701 -0.570 -6.584 1.00 0.00 C ATOM 0 H PHE A 54 1.643 -0.104 -7.309 1.00 0.00 H new ATOM 0 HA PHE A 54 3.347 1.018 -5.191 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.672 1.372 -8.184 1.00 0.00 H new ATOM 0 HB3 PHE A 54 4.203 2.609 -7.063 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.819 1.834 -5.162 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.099 -0.401 -8.716 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.928 0.622 -4.825 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.208 -1.615 -8.381 1.00 0.00 H new ATOM 0 HZ PHE A 54 8.630 -1.101 -6.439 1.00 0.00 H new ATOM 822 N VAL A 55 2.215 3.387 -5.663 1.00 0.00 N ATOM 823 CA VAL A 55 1.281 4.502 -5.561 1.00 0.00 C ATOM 824 C VAL A 55 1.679 5.640 -6.494 1.00 0.00 C ATOM 825 O VAL A 55 2.577 6.424 -6.186 1.00 0.00 O ATOM 826 CB VAL A 55 1.202 5.038 -4.119 1.00 0.00 C ATOM 827 CG1 VAL A 55 0.287 6.251 -4.050 1.00 0.00 C ATOM 828 CG2 VAL A 55 0.727 3.947 -3.171 1.00 0.00 C ATOM 0 H VAL A 55 3.161 3.599 -5.345 1.00 0.00 H new ATOM 0 HA VAL A 55 0.302 4.122 -5.854 1.00 0.00 H new ATOM 0 HB VAL A 55 2.200 5.348 -3.809 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.243 6.616 -3.024 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.675 7.037 -4.698 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.714 5.971 -4.378 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.677 4.343 -2.157 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.262 3.605 -3.476 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.425 3.110 -3.200 1.00 0.00 H new ATOM 838 N VAL A 56 1.004 5.725 -7.636 1.00 0.00 N ATOM 839 CA VAL A 56 1.286 6.769 -8.614 1.00 0.00 C ATOM 840 C VAL A 56 0.265 7.897 -8.524 1.00 0.00 C ATOM 841 O VAL A 56 0.108 8.683 -9.458 1.00 0.00 O ATOM 842 CB VAL A 56 1.289 6.208 -10.049 1.00 0.00 C ATOM 843 CG1 VAL A 56 2.246 5.030 -10.159 1.00 0.00 C ATOM 844 CG2 VAL A 56 -0.117 5.804 -10.465 1.00 0.00 C ATOM 0 H VAL A 56 0.258 5.084 -7.907 1.00 0.00 H new ATOM 0 HA VAL A 56 2.277 7.160 -8.382 1.00 0.00 H new ATOM 0 HB VAL A 56 1.633 6.990 -10.726 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.235 4.646 -11.179 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.255 5.356 -9.904 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.935 4.243 -9.472 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.097 5.410 -11.481 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.491 5.038 -9.786 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.772 6.674 -10.426 1.00 0.00 H new ATOM 854 N GLY A 57 -0.428 7.972 -7.391 1.00 0.00 N ATOM 855 CA GLY A 57 -1.425 9.008 -7.199 1.00 0.00 C ATOM 856 C GLY A 57 -2.232 8.808 -5.932 1.00 0.00 C ATOM 857 O GLY A 57 -2.414 7.679 -5.475 1.00 0.00 O ATOM 0 H GLY A 57 -0.316 7.334 -6.603 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.932 9.980 -7.163 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.098 9.024 -8.056 1.00 0.00 H new ATOM 861 N ILE A 58 -2.716 9.906 -5.361 1.00 0.00 N ATOM 862 CA ILE A 58 -3.507 9.846 -4.138 1.00 0.00 C ATOM 863 C ILE A 58 -4.749 10.724 -4.242 1.00 0.00 C ATOM 864 O ILE A 58 -4.681 11.938 -4.050 1.00 0.00 O ATOM 865 CB ILE A 58 -2.683 10.284 -2.912 1.00 0.00 C ATOM 866 CG1 ILE A 58 -1.560 9.281 -2.640 1.00 0.00 C ATOM 867 CG2 ILE A 58 -3.582 10.425 -1.693 1.00 0.00 C ATOM 868 CD1 ILE A 58 -0.589 9.736 -1.573 1.00 0.00 C ATOM 0 H ILE A 58 -2.574 10.848 -5.726 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.810 8.807 -4.009 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.234 11.255 -3.122 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.999 8.330 -2.339 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.013 9.101 -3.565 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.986 10.735 -0.835 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.349 11.174 -1.891 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.057 9.468 -1.478 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.180 8.976 -1.433 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.122 10.672 -1.881 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.124 9.888 -0.635 1.00 0.00 H new ATOM 880 N ASN A 59 -5.883 10.103 -4.547 1.00 0.00 N ATOM 881 CA ASN A 59 -7.141 10.828 -4.676 1.00 0.00 C ATOM 882 C ASN A 59 -7.209 11.982 -3.681 1.00 0.00 C ATOM 883 O ASN A 59 -7.127 11.793 -2.467 1.00 0.00 O ATOM 884 CB ASN A 59 -8.324 9.882 -4.458 1.00 0.00 C ATOM 885 CG ASN A 59 -9.574 10.342 -5.183 1.00 0.00 C ATOM 886 OD1 ASN A 59 -10.029 11.472 -5.002 1.00 0.00 O ATOM 887 ND2 ASN A 59 -10.136 9.466 -6.008 1.00 0.00 N ATOM 0 H ASN A 59 -5.957 9.099 -4.710 1.00 0.00 H new ATOM 0 HA ASN A 59 -7.193 11.238 -5.685 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.055 8.883 -4.802 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.533 9.806 -3.391 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.980 9.719 -6.523 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.724 8.540 -6.127 1.00 0.00 H new ATOM 894 N PRO A 60 -7.361 13.207 -4.205 1.00 0.00 N ATOM 895 CA PRO A 60 -7.444 14.416 -3.380 1.00 0.00 C ATOM 896 C PRO A 60 -8.743 14.488 -2.585 1.00 0.00 C ATOM 897 O PRO A 60 -8.879 15.304 -1.674 1.00 0.00 O ATOM 898 CB PRO A 60 -7.382 15.551 -4.406 1.00 0.00 C ATOM 899 CG PRO A 60 -7.894 14.948 -5.668 1.00 0.00 C ATOM 900 CD PRO A 60 -7.465 13.507 -5.643 1.00 0.00 C ATOM 0 HA PRO A 60 -6.651 14.454 -2.633 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -7.993 16.399 -4.096 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.363 15.919 -4.528 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.979 15.031 -5.728 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -7.487 15.461 -6.539 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -8.193 12.863 -6.136 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.513 13.362 -6.154 1.00 0.00 H new ATOM 908 N GLU A 61 -9.694 13.628 -2.935 1.00 0.00 N ATOM 909 CA GLU A 61 -10.983 13.595 -2.253 1.00 0.00 C ATOM 910 C GLU A 61 -11.071 12.394 -1.315 1.00 0.00 C ATOM 911 O GLU A 61 -12.032 12.252 -0.559 1.00 0.00 O ATOM 912 CB GLU A 61 -12.123 13.546 -3.272 1.00 0.00 C ATOM 913 CG GLU A 61 -12.206 14.781 -4.153 1.00 0.00 C ATOM 914 CD GLU A 61 -13.240 14.644 -5.253 1.00 0.00 C ATOM 915 OE1 GLU A 61 -13.208 13.626 -5.975 1.00 0.00 O ATOM 916 OE2 GLU A 61 -14.082 15.556 -5.392 1.00 0.00 O ATOM 0 H GLU A 61 -9.597 12.945 -3.686 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.075 14.505 -1.660 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.996 12.667 -3.904 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -13.068 13.424 -2.742 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.449 15.647 -3.537 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.230 14.971 -4.599 1.00 0.00 H new ATOM 923 N GLY A 62 -10.061 11.531 -1.371 1.00 0.00 N ATOM 924 CA GLY A 62 -10.044 10.353 -0.523 1.00 0.00 C ATOM 925 C GLY A 62 -9.407 10.619 0.826 1.00 0.00 C ATOM 926 O GLY A 62 -8.997 11.739 1.133 1.00 0.00 O ATOM 0 H GLY A 62 -9.255 11.626 -1.988 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -11.065 10.000 -0.376 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.500 9.554 -1.027 1.00 0.00 H new ATOM 930 N PRO A 63 -9.319 9.573 1.660 1.00 0.00 N ATOM 931 CA PRO A 63 -8.730 9.674 2.999 1.00 0.00 C ATOM 932 C PRO A 63 -7.221 9.889 2.952 1.00 0.00 C ATOM 933 O PRO A 63 -6.689 10.770 3.628 1.00 0.00 O ATOM 934 CB PRO A 63 -9.058 8.321 3.634 1.00 0.00 C ATOM 935 CG PRO A 63 -9.213 7.389 2.482 1.00 0.00 C ATOM 936 CD PRO A 63 -9.788 8.209 1.361 1.00 0.00 C ATOM 0 HA PRO A 63 -9.122 10.526 3.554 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -8.262 7.994 4.303 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -9.971 8.373 4.227 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -8.253 6.957 2.197 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -9.873 6.560 2.737 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -9.433 7.866 0.389 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -10.876 8.154 1.340 1.00 0.00 H new ATOM 944 N ALA A 64 -6.537 9.080 2.151 1.00 0.00 N ATOM 945 CA ALA A 64 -5.089 9.184 2.015 1.00 0.00 C ATOM 946 C ALA A 64 -4.652 10.640 1.892 1.00 0.00 C ATOM 947 O ALA A 64 -3.652 11.050 2.481 1.00 0.00 O ATOM 948 CB ALA A 64 -4.613 8.385 0.811 1.00 0.00 C ATOM 0 H ALA A 64 -6.962 8.345 1.586 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.634 8.770 2.915 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.530 8.472 0.722 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.884 7.337 0.940 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.084 8.773 -0.092 1.00 0.00 H new ATOM 954 N ALA A 65 -5.408 11.417 1.124 1.00 0.00 N ATOM 955 CA ALA A 65 -5.100 12.828 0.925 1.00 0.00 C ATOM 956 C ALA A 65 -5.450 13.646 2.163 1.00 0.00 C ATOM 957 O ALA A 65 -4.781 14.630 2.478 1.00 0.00 O ATOM 958 CB ALA A 65 -5.841 13.364 -0.291 1.00 0.00 C ATOM 0 H ALA A 65 -6.239 11.093 0.629 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.028 12.919 0.752 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.602 14.419 -0.427 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.538 12.806 -1.177 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.915 13.252 -0.141 1.00 0.00 H new ATOM 964 N ALA A 66 -6.502 13.232 2.862 1.00 0.00 N ATOM 965 CA ALA A 66 -6.940 13.927 4.067 1.00 0.00 C ATOM 966 C ALA A 66 -5.915 13.783 5.186 1.00 0.00 C ATOM 967 O ALA A 66 -5.502 14.771 5.794 1.00 0.00 O ATOM 968 CB ALA A 66 -8.294 13.399 4.517 1.00 0.00 C ATOM 0 H ALA A 66 -7.067 12.419 2.615 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.036 14.987 3.832 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.609 13.926 5.417 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.028 13.559 3.727 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.216 12.333 4.729 1.00 0.00 H new ATOM 974 N ASP A 67 -5.508 12.547 5.454 1.00 0.00 N ATOM 975 CA ASP A 67 -4.530 12.274 6.501 1.00 0.00 C ATOM 976 C ASP A 67 -3.180 12.895 6.159 1.00 0.00 C ATOM 977 O ASP A 67 -2.410 13.260 7.047 1.00 0.00 O ATOM 978 CB ASP A 67 -4.375 10.766 6.703 1.00 0.00 C ATOM 979 CG ASP A 67 -3.951 10.411 8.115 1.00 0.00 C ATOM 980 OD1 ASP A 67 -3.139 11.160 8.696 1.00 0.00 O ATOM 981 OD2 ASP A 67 -4.432 9.384 8.639 1.00 0.00 O ATOM 0 H ASP A 67 -5.840 11.718 4.961 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.891 12.722 7.427 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.320 10.273 6.476 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.638 10.382 5.998 1.00 0.00 H new ATOM 986 N GLY A 68 -2.898 13.012 4.865 1.00 0.00 N ATOM 987 CA GLY A 68 -1.640 13.588 4.428 1.00 0.00 C ATOM 988 C GLY A 68 -0.442 12.774 4.877 1.00 0.00 C ATOM 989 O GLY A 68 0.580 13.331 5.276 1.00 0.00 O ATOM 0 H GLY A 68 -3.519 12.718 4.111 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.637 13.664 3.341 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.553 14.602 4.818 1.00 0.00 H new ATOM 993 N ARG A 69 -0.570 11.453 4.813 1.00 0.00 N ATOM 994 CA ARG A 69 0.510 10.561 5.219 1.00 0.00 C ATOM 995 C ARG A 69 1.069 9.803 4.019 1.00 0.00 C ATOM 996 O ARG A 69 2.262 9.879 3.726 1.00 0.00 O ATOM 997 CB ARG A 69 0.012 9.571 6.274 1.00 0.00 C ATOM 998 CG ARG A 69 -0.273 10.211 7.623 1.00 0.00 C ATOM 999 CD ARG A 69 0.992 10.337 8.458 1.00 0.00 C ATOM 1000 NE ARG A 69 1.734 11.556 8.148 1.00 0.00 N ATOM 1001 CZ ARG A 69 2.929 11.839 8.655 1.00 0.00 C ATOM 1002 NH1 ARG A 69 3.514 10.993 9.491 1.00 0.00 N ATOM 1003 NH2 ARG A 69 3.541 12.969 8.324 1.00 0.00 N ATOM 0 H ARG A 69 -1.410 10.977 4.484 1.00 0.00 H new ATOM 0 HA ARG A 69 1.308 11.168 5.647 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.896 9.091 5.910 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.757 8.786 6.404 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.711 11.198 7.474 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.008 9.614 8.162 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.730 10.332 9.516 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.629 9.470 8.283 1.00 0.00 H new ATOM 0 HE ARG A 69 1.311 12.227 7.507 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.047 10.123 9.746 1.00 0.00 H new ATOM 0 HH12 ARG A 69 4.431 11.212 9.879 1.00 0.00 H new ATOM 0 HH21 ARG A 69 3.094 13.621 7.680 1.00 0.00 H new ATOM 0 HH22 ARG A 69 4.458 13.185 8.714 1.00 0.00 H new ATOM 1017 N MET A 70 0.199 9.072 3.329 1.00 0.00 N ATOM 1018 CA MET A 70 0.607 8.301 2.161 1.00 0.00 C ATOM 1019 C MET A 70 1.159 9.215 1.071 1.00 0.00 C ATOM 1020 O MET A 70 0.604 10.281 0.802 1.00 0.00 O ATOM 1021 CB MET A 70 -0.575 7.496 1.617 1.00 0.00 C ATOM 1022 CG MET A 70 -0.695 6.108 2.224 1.00 0.00 C ATOM 1023 SD MET A 70 -1.572 4.954 1.151 1.00 0.00 S ATOM 1024 CE MET A 70 -0.301 4.578 -0.054 1.00 0.00 C ATOM 0 H MET A 70 -0.792 8.998 3.559 1.00 0.00 H new ATOM 0 HA MET A 70 1.396 7.614 2.468 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.497 8.047 1.805 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.474 7.403 0.536 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.302 5.719 2.432 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.216 6.177 3.179 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.612 3.724 -0.656 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.146 5.441 -0.701 1.00 0.00 H new ATOM 0 HE3 MET A 70 0.629 4.339 0.461 1.00 0.00 H new ATOM 1034 N ARG A 71 2.254 8.792 0.448 1.00 0.00 N ATOM 1035 CA ARG A 71 2.881 9.574 -0.610 1.00 0.00 C ATOM 1036 C ARG A 71 2.928 8.784 -1.915 1.00 0.00 C ATOM 1037 O ARG A 71 2.547 7.614 -1.957 1.00 0.00 O ATOM 1038 CB ARG A 71 4.296 9.986 -0.200 1.00 0.00 C ATOM 1039 CG ARG A 71 4.336 10.913 1.004 1.00 0.00 C ATOM 1040 CD ARG A 71 4.273 12.373 0.585 1.00 0.00 C ATOM 1041 NE ARG A 71 3.759 13.227 1.653 1.00 0.00 N ATOM 1042 CZ ARG A 71 2.465 13.387 1.908 1.00 0.00 C ATOM 1043 NH1 ARG A 71 1.559 12.753 1.176 1.00 0.00 N ATOM 1044 NH2 ARG A 71 2.075 14.181 2.896 1.00 0.00 N ATOM 0 H ARG A 71 2.725 7.912 0.658 1.00 0.00 H new ATOM 0 HA ARG A 71 2.281 10.470 -0.769 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.876 9.090 0.022 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.781 10.478 -1.043 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.500 10.687 1.666 1.00 0.00 H new ATOM 0 HG3 ARG A 71 5.250 10.735 1.571 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.269 12.711 0.298 1.00 0.00 H new ATOM 0 HD3 ARG A 71 3.637 12.471 -0.295 1.00 0.00 H new ATOM 0 HE ARG A 71 4.430 13.728 2.235 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.855 12.141 0.416 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.566 12.877 1.373 1.00 0.00 H new ATOM 0 HH21 ARG A 71 2.769 14.670 3.461 1.00 0.00 H new ATOM 0 HH22 ARG A 71 1.081 14.303 3.090 1.00 0.00 H new ATOM 1058 N ILE A 72 3.396 9.432 -2.976 1.00 0.00 N ATOM 1059 CA ILE A 72 3.493 8.789 -4.281 1.00 0.00 C ATOM 1060 C ILE A 72 4.777 7.976 -4.399 1.00 0.00 C ATOM 1061 O ILE A 72 5.877 8.505 -4.241 1.00 0.00 O ATOM 1062 CB ILE A 72 3.447 9.823 -5.422 1.00 0.00 C ATOM 1063 CG1 ILE A 72 2.307 10.818 -5.192 1.00 0.00 C ATOM 1064 CG2 ILE A 72 3.284 9.124 -6.763 1.00 0.00 C ATOM 1065 CD1 ILE A 72 0.979 10.158 -4.897 1.00 0.00 C ATOM 0 H ILE A 72 3.714 10.401 -2.958 1.00 0.00 H new ATOM 0 HA ILE A 72 2.635 8.123 -4.370 1.00 0.00 H new ATOM 0 HB ILE A 72 4.388 10.373 -5.433 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.570 11.474 -4.362 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.202 11.448 -6.075 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.253 9.867 -7.559 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.126 8.451 -6.927 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.356 8.552 -6.765 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.218 10.923 -4.745 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.693 9.524 -5.736 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.067 9.550 -3.997 1.00 0.00 H new ATOM 1077 N GLY A 73 4.630 6.684 -4.680 1.00 0.00 N ATOM 1078 CA GLY A 73 5.786 5.818 -4.817 1.00 0.00 C ATOM 1079 C GLY A 73 5.765 4.664 -3.834 1.00 0.00 C ATOM 1080 O GLY A 73 6.483 3.679 -4.007 1.00 0.00 O ATOM 0 H GLY A 73 3.731 6.222 -4.815 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.824 5.425 -5.833 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.694 6.402 -4.667 1.00 0.00 H new ATOM 1084 N ASP A 74 4.942 4.786 -2.799 1.00 0.00 N ATOM 1085 CA ASP A 74 4.831 3.745 -1.783 1.00 0.00 C ATOM 1086 C ASP A 74 4.495 2.400 -2.419 1.00 0.00 C ATOM 1087 O ASP A 74 3.727 2.330 -3.378 1.00 0.00 O ATOM 1088 CB ASP A 74 3.762 4.118 -0.755 1.00 0.00 C ATOM 1089 CG ASP A 74 4.150 5.330 0.069 1.00 0.00 C ATOM 1090 OD1 ASP A 74 5.303 5.380 0.546 1.00 0.00 O ATOM 1091 OD2 ASP A 74 3.300 6.230 0.235 1.00 0.00 O ATOM 0 H ASP A 74 4.342 5.595 -2.641 1.00 0.00 H new ATOM 0 HA ASP A 74 5.794 3.659 -1.279 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.822 4.317 -1.269 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.589 3.271 -0.091 1.00 0.00 H new ATOM 1096 N GLU A 75 5.077 1.334 -1.878 1.00 0.00 N ATOM 1097 CA GLU A 75 4.840 -0.009 -2.395 1.00 0.00 C ATOM 1098 C GLU A 75 4.031 -0.839 -1.403 1.00 0.00 C ATOM 1099 O GLU A 75 4.586 -1.455 -0.492 1.00 0.00 O ATOM 1100 CB GLU A 75 6.169 -0.706 -2.695 1.00 0.00 C ATOM 1101 CG GLU A 75 6.010 -2.136 -3.185 1.00 0.00 C ATOM 1102 CD GLU A 75 7.339 -2.803 -3.479 1.00 0.00 C ATOM 1103 OE1 GLU A 75 8.198 -2.842 -2.574 1.00 0.00 O ATOM 1104 OE2 GLU A 75 7.521 -3.286 -4.617 1.00 0.00 O ATOM 0 H GLU A 75 5.715 1.374 -1.083 1.00 0.00 H new ATOM 0 HA GLU A 75 4.268 0.081 -3.319 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.709 -0.131 -3.447 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.781 -0.706 -1.793 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.475 -2.716 -2.433 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.398 -2.141 -4.087 1.00 0.00 H new ATOM 1111 N LEU A 76 2.715 -0.850 -1.585 1.00 0.00 N ATOM 1112 CA LEU A 76 1.827 -1.603 -0.705 1.00 0.00 C ATOM 1113 C LEU A 76 2.354 -3.017 -0.481 1.00 0.00 C ATOM 1114 O LEU A 76 2.794 -3.683 -1.419 1.00 0.00 O ATOM 1115 CB LEU A 76 0.418 -1.660 -1.298 1.00 0.00 C ATOM 1116 CG LEU A 76 -0.323 -0.326 -1.395 1.00 0.00 C ATOM 1117 CD1 LEU A 76 -1.610 -0.487 -2.190 1.00 0.00 C ATOM 1118 CD2 LEU A 76 -0.617 0.224 -0.007 1.00 0.00 C ATOM 0 H LEU A 76 2.239 -0.346 -2.334 1.00 0.00 H new ATOM 0 HA LEU A 76 1.790 -1.092 0.257 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.483 -2.090 -2.297 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.181 -2.343 -0.695 1.00 0.00 H new ATOM 0 HG LEU A 76 0.317 0.385 -1.917 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.124 0.472 -2.249 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.375 -0.835 -3.196 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.254 -1.214 -1.696 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.145 1.174 -0.096 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.237 -0.485 0.542 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.319 0.378 0.529 1.00 0.00 H new ATOM 1130 N LEU A 77 2.304 -3.470 0.766 1.00 0.00 N ATOM 1131 CA LEU A 77 2.774 -4.807 1.114 1.00 0.00 C ATOM 1132 C LEU A 77 1.634 -5.659 1.664 1.00 0.00 C ATOM 1133 O LEU A 77 1.505 -6.834 1.322 1.00 0.00 O ATOM 1134 CB LEU A 77 3.903 -4.720 2.142 1.00 0.00 C ATOM 1135 CG LEU A 77 5.108 -3.867 1.745 1.00 0.00 C ATOM 1136 CD1 LEU A 77 5.956 -3.541 2.965 1.00 0.00 C ATOM 1137 CD2 LEU A 77 5.941 -4.579 0.689 1.00 0.00 C ATOM 0 H LEU A 77 1.943 -2.932 1.554 1.00 0.00 H new ATOM 0 HA LEU A 77 3.152 -5.280 0.208 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.492 -4.323 3.070 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.253 -5.730 2.354 1.00 0.00 H new ATOM 0 HG LEU A 77 4.743 -2.932 1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.809 -2.933 2.663 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.356 -2.990 3.689 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.312 -4.466 3.419 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.794 -3.957 0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.296 -5.530 1.086 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.330 -4.761 -0.195 1.00 0.00 H new ATOM 1149 N GLU A 78 0.810 -5.057 2.516 1.00 0.00 N ATOM 1150 CA GLU A 78 -0.319 -5.762 3.111 1.00 0.00 C ATOM 1151 C GLU A 78 -1.494 -4.814 3.336 1.00 0.00 C ATOM 1152 O GLU A 78 -1.317 -3.598 3.417 1.00 0.00 O ATOM 1153 CB GLU A 78 0.093 -6.404 4.438 1.00 0.00 C ATOM 1154 CG GLU A 78 1.462 -7.062 4.395 1.00 0.00 C ATOM 1155 CD GLU A 78 2.008 -7.363 5.778 1.00 0.00 C ATOM 1156 OE1 GLU A 78 2.484 -6.422 6.446 1.00 0.00 O ATOM 1157 OE2 GLU A 78 1.958 -8.540 6.191 1.00 0.00 O ATOM 0 H GLU A 78 0.903 -4.084 2.809 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.631 -6.544 2.419 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.089 -5.642 5.217 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.651 -7.150 4.718 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.398 -7.988 3.824 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.158 -6.410 3.868 1.00 0.00 H new ATOM 1164 N ILE A 79 -2.692 -5.380 3.435 1.00 0.00 N ATOM 1165 CA ILE A 79 -3.896 -4.586 3.651 1.00 0.00 C ATOM 1166 C ILE A 79 -4.974 -5.403 4.353 1.00 0.00 C ATOM 1167 O ILE A 79 -5.542 -6.329 3.775 1.00 0.00 O ATOM 1168 CB ILE A 79 -4.460 -4.046 2.323 1.00 0.00 C ATOM 1169 CG1 ILE A 79 -3.418 -3.176 1.618 1.00 0.00 C ATOM 1170 CG2 ILE A 79 -5.736 -3.257 2.572 1.00 0.00 C ATOM 1171 CD1 ILE A 79 -3.861 -2.685 0.258 1.00 0.00 C ATOM 0 H ILE A 79 -2.855 -6.385 3.369 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.611 -3.746 4.284 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.699 -4.890 1.676 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.188 -2.317 2.248 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -2.496 -3.746 1.507 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -6.123 -2.882 1.624 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -6.480 -3.905 3.036 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.522 -2.418 3.234 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.073 -2.075 -0.183 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.064 -3.539 -0.389 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.766 -2.087 0.364 1.00 0.00 H new ATOM 1183 N ASN A 80 -5.253 -5.053 5.605 1.00 0.00 N ATOM 1184 CA ASN A 80 -6.266 -5.753 6.387 1.00 0.00 C ATOM 1185 C ASN A 80 -5.872 -7.211 6.606 1.00 0.00 C ATOM 1186 O ASN A 80 -6.694 -8.115 6.464 1.00 0.00 O ATOM 1187 CB ASN A 80 -7.623 -5.680 5.685 1.00 0.00 C ATOM 1188 CG ASN A 80 -8.758 -6.159 6.570 1.00 0.00 C ATOM 1189 OD1 ASN A 80 -9.079 -7.347 6.598 1.00 0.00 O ATOM 1190 ND2 ASN A 80 -9.372 -5.233 7.297 1.00 0.00 N ATOM 0 H ASN A 80 -4.792 -4.289 6.099 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.341 -5.265 7.359 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.815 -4.652 5.377 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.593 -6.284 4.778 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -10.144 -5.495 7.910 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -9.072 -4.260 7.242 1.00 0.00 H new ATOM 1197 N ASN A 81 -4.608 -7.431 6.954 1.00 0.00 N ATOM 1198 CA ASN A 81 -4.104 -8.779 7.193 1.00 0.00 C ATOM 1199 C ASN A 81 -4.101 -9.594 5.903 1.00 0.00 C ATOM 1200 O ASN A 81 -4.570 -10.732 5.876 1.00 0.00 O ATOM 1201 CB ASN A 81 -4.954 -9.483 8.252 1.00 0.00 C ATOM 1202 CG ASN A 81 -4.343 -10.794 8.705 1.00 0.00 C ATOM 1203 OD1 ASN A 81 -3.122 -10.942 8.747 1.00 0.00 O ATOM 1204 ND2 ASN A 81 -5.193 -11.756 9.047 1.00 0.00 N ATOM 0 H ASN A 81 -3.914 -6.693 7.077 1.00 0.00 H new ATOM 0 HA ASN A 81 -3.079 -8.699 7.554 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.075 -8.825 9.113 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.950 -9.669 7.850 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.840 -12.661 9.360 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -6.198 -11.590 8.997 1.00 0.00 H new ATOM 1211 N GLN A 82 -3.567 -9.005 4.838 1.00 0.00 N ATOM 1212 CA GLN A 82 -3.502 -9.678 3.546 1.00 0.00 C ATOM 1213 C GLN A 82 -2.290 -9.209 2.748 1.00 0.00 C ATOM 1214 O GLN A 82 -2.241 -8.068 2.289 1.00 0.00 O ATOM 1215 CB GLN A 82 -4.782 -9.421 2.749 1.00 0.00 C ATOM 1216 CG GLN A 82 -5.974 -10.229 3.236 1.00 0.00 C ATOM 1217 CD GLN A 82 -7.284 -9.754 2.638 1.00 0.00 C ATOM 1218 OE1 GLN A 82 -8.099 -9.128 3.316 1.00 0.00 O ATOM 1219 NE2 GLN A 82 -7.494 -10.051 1.361 1.00 0.00 N ATOM 0 H GLN A 82 -3.173 -8.064 4.844 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.403 -10.748 3.727 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.027 -8.360 2.802 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -4.600 -9.654 1.700 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -5.824 -11.279 2.985 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.031 -10.166 4.323 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.791 -10.572 0.836 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -8.358 -9.758 0.905 1.00 0.00 H new ATOM 1228 N ILE A 83 -1.314 -10.096 2.589 1.00 0.00 N ATOM 1229 CA ILE A 83 -0.102 -9.773 1.846 1.00 0.00 C ATOM 1230 C ILE A 83 -0.381 -9.687 0.350 1.00 0.00 C ATOM 1231 O ILE A 83 -0.993 -10.584 -0.231 1.00 0.00 O ATOM 1232 CB ILE A 83 1.004 -10.816 2.092 1.00 0.00 C ATOM 1233 CG1 ILE A 83 1.293 -10.942 3.589 1.00 0.00 C ATOM 1234 CG2 ILE A 83 2.268 -10.436 1.334 1.00 0.00 C ATOM 1235 CD1 ILE A 83 2.334 -11.989 3.918 1.00 0.00 C ATOM 0 H ILE A 83 -1.339 -11.044 2.965 1.00 0.00 H new ATOM 0 HA ILE A 83 0.239 -8.802 2.206 1.00 0.00 H new ATOM 0 HB ILE A 83 0.659 -11.783 1.725 1.00 0.00 H new ATOM 0 HG12 ILE A 83 1.628 -9.977 3.969 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.367 -11.186 4.110 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.041 -11.183 1.518 1.00 0.00 H new ATOM 0 HG22 ILE A 83 2.053 -10.392 0.266 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.617 -9.461 1.674 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.488 -12.023 4.997 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.993 -12.964 3.569 1.00 0.00 H new ATOM 0 HD13 ILE A 83 3.273 -11.736 3.426 1.00 0.00 H new ATOM 1247 N LEU A 84 0.074 -8.604 -0.270 1.00 0.00 N ATOM 1248 CA LEU A 84 -0.124 -8.401 -1.701 1.00 0.00 C ATOM 1249 C LEU A 84 1.146 -8.728 -2.479 1.00 0.00 C ATOM 1250 O LEU A 84 1.097 -9.022 -3.674 1.00 0.00 O ATOM 1251 CB LEU A 84 -0.548 -6.957 -1.978 1.00 0.00 C ATOM 1252 CG LEU A 84 -1.558 -6.355 -1.001 1.00 0.00 C ATOM 1253 CD1 LEU A 84 -1.649 -4.849 -1.188 1.00 0.00 C ATOM 1254 CD2 LEU A 84 -2.925 -7.000 -1.182 1.00 0.00 C ATOM 0 H LEU A 84 0.583 -7.853 0.196 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.914 -9.075 -2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.344 -6.331 -1.978 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.971 -6.910 -2.982 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.216 -6.555 0.014 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.373 -4.438 -0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.672 -4.400 -1.008 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.967 -4.627 -2.207 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.631 -6.559 -0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.275 -6.832 -2.201 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.849 -8.071 -0.997 1.00 0.00 H new ATOM 1266 N TYR A 85 2.283 -8.678 -1.793 1.00 0.00 N ATOM 1267 CA TYR A 85 3.567 -8.969 -2.420 1.00 0.00 C ATOM 1268 C TYR A 85 3.448 -10.144 -3.386 1.00 0.00 C ATOM 1269 O TYR A 85 3.306 -11.293 -2.970 1.00 0.00 O ATOM 1270 CB TYR A 85 4.620 -9.275 -1.354 1.00 0.00 C ATOM 1271 CG TYR A 85 5.993 -9.556 -1.922 1.00 0.00 C ATOM 1272 CD1 TYR A 85 6.297 -10.794 -2.475 1.00 0.00 C ATOM 1273 CD2 TYR A 85 6.986 -8.584 -1.905 1.00 0.00 C ATOM 1274 CE1 TYR A 85 7.550 -11.055 -2.995 1.00 0.00 C ATOM 1275 CE2 TYR A 85 8.241 -8.836 -2.424 1.00 0.00 C ATOM 1276 CZ TYR A 85 8.518 -10.073 -2.968 1.00 0.00 C ATOM 1277 OH TYR A 85 9.768 -10.329 -3.484 1.00 0.00 O ATOM 0 H TYR A 85 2.341 -8.439 -0.803 1.00 0.00 H new ATOM 0 HA TYR A 85 3.875 -8.089 -2.984 1.00 0.00 H new ATOM 0 HB2 TYR A 85 4.686 -8.431 -0.668 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.294 -10.136 -0.770 1.00 0.00 H new ATOM 0 HD1 TYR A 85 5.541 -11.565 -2.499 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.773 -7.615 -1.479 1.00 0.00 H new ATOM 0 HE1 TYR A 85 7.770 -12.023 -3.420 1.00 0.00 H new ATOM 0 HE2 TYR A 85 9.001 -8.069 -2.404 1.00 0.00 H new ATOM 0 HH TYR A 85 10.331 -9.533 -3.388 1.00 0.00 H new ATOM 1287 N GLY A 86 3.508 -9.845 -4.680 1.00 0.00 N ATOM 1288 CA GLY A 86 3.406 -10.886 -5.687 1.00 0.00 C ATOM 1289 C GLY A 86 2.024 -10.962 -6.304 1.00 0.00 C ATOM 1290 O GLY A 86 1.581 -12.032 -6.722 1.00 0.00 O ATOM 0 H GLY A 86 3.625 -8.901 -5.049 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.141 -10.702 -6.471 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.653 -11.848 -5.237 1.00 0.00 H new ATOM 1294 N ARG A 87 1.339 -9.824 -6.361 1.00 0.00 N ATOM 1295 CA ARG A 87 -0.002 -9.767 -6.929 1.00 0.00 C ATOM 1296 C ARG A 87 -0.185 -8.505 -7.766 1.00 0.00 C ATOM 1297 O ARG A 87 0.649 -7.600 -7.734 1.00 0.00 O ATOM 1298 CB ARG A 87 -1.053 -9.811 -5.817 1.00 0.00 C ATOM 1299 CG ARG A 87 -1.162 -11.165 -5.136 1.00 0.00 C ATOM 1300 CD ARG A 87 -2.036 -11.095 -3.894 1.00 0.00 C ATOM 1301 NE ARG A 87 -1.691 -12.130 -2.923 1.00 0.00 N ATOM 1302 CZ ARG A 87 -2.120 -13.385 -3.003 1.00 0.00 C ATOM 1303 NH1 ARG A 87 -2.905 -13.758 -4.004 1.00 0.00 N ATOM 1304 NH2 ARG A 87 -1.763 -14.270 -2.081 1.00 0.00 N ATOM 0 H ARG A 87 1.691 -8.929 -6.021 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.132 -10.634 -7.577 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -0.810 -9.056 -5.069 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -2.024 -9.545 -6.235 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -1.577 -11.892 -5.834 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -0.167 -11.517 -4.863 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.930 -10.114 -3.431 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.082 -11.201 -4.181 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.088 -11.876 -2.141 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -3.181 -13.081 -4.715 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -3.233 -14.722 -4.063 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.159 -13.987 -1.310 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.093 -15.233 -2.144 1.00 0.00 H new ATOM 1318 N SER A 88 -1.282 -8.451 -8.515 1.00 0.00 N ATOM 1319 CA SER A 88 -1.572 -7.302 -9.364 1.00 0.00 C ATOM 1320 C SER A 88 -2.325 -6.228 -8.586 1.00 0.00 C ATOM 1321 O SER A 88 -3.068 -6.528 -7.651 1.00 0.00 O ATOM 1322 CB SER A 88 -2.390 -7.734 -10.582 1.00 0.00 C ATOM 1323 OG SER A 88 -3.690 -8.151 -10.201 1.00 0.00 O ATOM 0 H SER A 88 -1.984 -9.190 -8.551 1.00 0.00 H new ATOM 0 HA SER A 88 -0.624 -6.883 -9.702 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.462 -6.906 -11.288 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.880 -8.548 -11.097 1.00 0.00 H new ATOM 0 HG SER A 88 -3.622 -8.849 -9.516 1.00 0.00 H new ATOM 1329 N HIS A 89 -2.129 -4.973 -8.979 1.00 0.00 N ATOM 1330 CA HIS A 89 -2.790 -3.853 -8.319 1.00 0.00 C ATOM 1331 C HIS A 89 -4.307 -3.996 -8.395 1.00 0.00 C ATOM 1332 O HIS A 89 -5.038 -3.359 -7.637 1.00 0.00 O ATOM 1333 CB HIS A 89 -2.359 -2.531 -8.956 1.00 0.00 C ATOM 1334 CG HIS A 89 -2.809 -2.376 -10.376 1.00 0.00 C ATOM 1335 ND1 HIS A 89 -4.048 -1.882 -10.723 1.00 0.00 N ATOM 1336 CD2 HIS A 89 -2.176 -2.652 -11.541 1.00 0.00 C ATOM 1337 CE1 HIS A 89 -4.160 -1.861 -12.039 1.00 0.00 C ATOM 1338 NE2 HIS A 89 -3.037 -2.323 -12.559 1.00 0.00 N ATOM 0 H HIS A 89 -1.518 -4.707 -9.751 1.00 0.00 H new ATOM 0 HA HIS A 89 -2.494 -3.856 -7.270 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -2.757 -1.706 -8.365 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -1.272 -2.456 -8.918 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -1.180 -3.055 -11.649 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -5.022 -1.524 -12.595 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -2.841 -2.420 -13.555 1.00 0.00 H new ATOM 1347 N GLN A 90 -4.772 -4.836 -9.314 1.00 0.00 N ATOM 1348 CA GLN A 90 -6.202 -5.061 -9.489 1.00 0.00 C ATOM 1349 C GLN A 90 -6.771 -5.870 -8.328 1.00 0.00 C ATOM 1350 O GLN A 90 -7.960 -5.783 -8.023 1.00 0.00 O ATOM 1351 CB GLN A 90 -6.468 -5.784 -10.810 1.00 0.00 C ATOM 1352 CG GLN A 90 -6.622 -4.847 -11.997 1.00 0.00 C ATOM 1353 CD GLN A 90 -8.037 -4.324 -12.148 1.00 0.00 C ATOM 1354 OE1 GLN A 90 -8.927 -5.035 -12.615 1.00 0.00 O ATOM 1355 NE2 GLN A 90 -8.252 -3.075 -11.753 1.00 0.00 N ATOM 0 H GLN A 90 -4.180 -5.372 -9.949 1.00 0.00 H new ATOM 0 HA GLN A 90 -6.698 -4.090 -9.509 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -5.649 -6.475 -11.007 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -7.373 -6.383 -10.711 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -5.938 -4.006 -11.882 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -6.333 -5.371 -12.908 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -7.485 -2.521 -11.372 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -9.184 -2.669 -11.831 1.00 0.00 H new ATOM 1364 N ASN A 91 -5.915 -6.658 -7.686 1.00 0.00 N ATOM 1365 CA ASN A 91 -6.333 -7.484 -6.560 1.00 0.00 C ATOM 1366 C ASN A 91 -6.401 -6.661 -5.277 1.00 0.00 C ATOM 1367 O ASN A 91 -7.327 -6.809 -4.480 1.00 0.00 O ATOM 1368 CB ASN A 91 -5.369 -8.658 -6.375 1.00 0.00 C ATOM 1369 CG ASN A 91 -5.662 -9.802 -7.327 1.00 0.00 C ATOM 1370 OD1 ASN A 91 -4.933 -10.022 -8.294 1.00 0.00 O ATOM 1371 ND2 ASN A 91 -6.736 -10.536 -7.057 1.00 0.00 N ATOM 0 H ASN A 91 -4.927 -6.742 -7.927 1.00 0.00 H new ATOM 0 HA ASN A 91 -7.329 -7.871 -6.776 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.347 -8.313 -6.530 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -5.432 -9.018 -5.348 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -6.985 -11.318 -7.663 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -7.312 -10.317 -6.244 1.00 0.00 H new ATOM 1378 N ALA A 92 -5.413 -5.793 -5.084 1.00 0.00 N ATOM 1379 CA ALA A 92 -5.361 -4.944 -3.900 1.00 0.00 C ATOM 1380 C ALA A 92 -6.675 -4.195 -3.704 1.00 0.00 C ATOM 1381 O ALA A 92 -7.232 -4.176 -2.606 1.00 0.00 O ATOM 1382 CB ALA A 92 -4.203 -3.964 -4.004 1.00 0.00 C ATOM 0 H ALA A 92 -4.637 -5.659 -5.733 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.204 -5.583 -3.031 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -4.176 -3.336 -3.113 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.266 -4.515 -4.088 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.335 -3.337 -4.886 1.00 0.00 H new ATOM 1388 N SER A 93 -7.165 -3.579 -4.775 1.00 0.00 N ATOM 1389 CA SER A 93 -8.411 -2.824 -4.719 1.00 0.00 C ATOM 1390 C SER A 93 -9.556 -3.702 -4.222 1.00 0.00 C ATOM 1391 O SER A 93 -10.390 -3.265 -3.430 1.00 0.00 O ATOM 1392 CB SER A 93 -8.751 -2.256 -6.098 1.00 0.00 C ATOM 1393 OG SER A 93 -9.105 -3.288 -7.002 1.00 0.00 O ATOM 0 H SER A 93 -6.718 -3.588 -5.692 1.00 0.00 H new ATOM 0 HA SER A 93 -8.276 -2.000 -4.018 1.00 0.00 H new ATOM 0 HB2 SER A 93 -9.575 -1.547 -6.010 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.896 -1.704 -6.488 1.00 0.00 H new ATOM 0 HG SER A 93 -8.373 -3.937 -7.060 1.00 0.00 H new ATOM 1399 N ALA A 94 -9.589 -4.944 -4.695 1.00 0.00 N ATOM 1400 CA ALA A 94 -10.629 -5.885 -4.299 1.00 0.00 C ATOM 1401 C ALA A 94 -10.628 -6.100 -2.789 1.00 0.00 C ATOM 1402 O ALA A 94 -11.678 -6.067 -2.147 1.00 0.00 O ATOM 1403 CB ALA A 94 -10.446 -7.210 -5.024 1.00 0.00 C ATOM 0 H ALA A 94 -8.907 -5.321 -5.353 1.00 0.00 H new ATOM 0 HA ALA A 94 -11.594 -5.462 -4.578 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -11.230 -7.903 -4.719 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -10.505 -7.047 -6.100 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -9.472 -7.630 -4.773 1.00 0.00 H new ATOM 1409 N ILE A 95 -9.444 -6.323 -2.229 1.00 0.00 N ATOM 1410 CA ILE A 95 -9.307 -6.543 -0.795 1.00 0.00 C ATOM 1411 C ILE A 95 -9.889 -5.379 -0.001 1.00 0.00 C ATOM 1412 O ILE A 95 -10.611 -5.579 0.976 1.00 0.00 O ATOM 1413 CB ILE A 95 -7.833 -6.738 -0.393 1.00 0.00 C ATOM 1414 CG1 ILE A 95 -7.214 -7.891 -1.186 1.00 0.00 C ATOM 1415 CG2 ILE A 95 -7.722 -6.996 1.102 1.00 0.00 C ATOM 1416 CD1 ILE A 95 -5.735 -8.075 -0.929 1.00 0.00 C ATOM 0 H ILE A 95 -8.566 -6.356 -2.747 1.00 0.00 H new ATOM 0 HA ILE A 95 -9.862 -7.452 -0.562 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.284 -5.826 -0.626 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.736 -8.815 -0.936 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -7.371 -7.715 -2.250 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.674 -7.132 1.371 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -8.130 -6.146 1.649 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -8.282 -7.895 1.359 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.363 -8.909 -1.524 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.202 -7.166 -1.206 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.573 -8.283 0.129 1.00 0.00 H new ATOM 1428 N ILE A 96 -9.572 -4.161 -0.429 1.00 0.00 N ATOM 1429 CA ILE A 96 -10.066 -2.964 0.240 1.00 0.00 C ATOM 1430 C ILE A 96 -11.587 -2.883 0.169 1.00 0.00 C ATOM 1431 O ILE A 96 -12.251 -2.579 1.161 1.00 0.00 O ATOM 1432 CB ILE A 96 -9.466 -1.687 -0.377 1.00 0.00 C ATOM 1433 CG1 ILE A 96 -7.951 -1.655 -0.164 1.00 0.00 C ATOM 1434 CG2 ILE A 96 -10.117 -0.451 0.226 1.00 0.00 C ATOM 1435 CD1 ILE A 96 -7.218 -0.788 -1.165 1.00 0.00 C ATOM 0 H ILE A 96 -8.975 -3.978 -1.236 1.00 0.00 H new ATOM 0 HA ILE A 96 -9.757 -3.034 1.283 1.00 0.00 H new ATOM 0 HB ILE A 96 -9.664 -1.692 -1.449 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.741 -1.291 0.842 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -7.562 -2.672 -0.223 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -9.682 0.443 -0.220 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -11.189 -0.471 0.028 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -9.947 -0.439 1.303 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -6.149 -0.813 -0.954 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.397 -1.164 -2.172 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.579 0.238 -1.091 1.00 0.00 H new ATOM 1447 N LYS A 97 -12.134 -3.158 -1.010 1.00 0.00 N ATOM 1448 CA LYS A 97 -13.578 -3.119 -1.211 1.00 0.00 C ATOM 1449 C LYS A 97 -14.291 -4.029 -0.216 1.00 0.00 C ATOM 1450 O LYS A 97 -15.387 -3.719 0.252 1.00 0.00 O ATOM 1451 CB LYS A 97 -13.926 -3.539 -2.641 1.00 0.00 C ATOM 1452 CG LYS A 97 -15.242 -2.969 -3.140 1.00 0.00 C ATOM 1453 CD LYS A 97 -15.416 -3.188 -4.633 1.00 0.00 C ATOM 1454 CE LYS A 97 -14.562 -2.224 -5.441 1.00 0.00 C ATOM 1455 NZ LYS A 97 -15.287 -0.959 -5.742 1.00 0.00 N ATOM 0 H LYS A 97 -11.599 -3.410 -1.841 1.00 0.00 H new ATOM 0 HA LYS A 97 -13.915 -2.095 -1.047 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -13.126 -3.221 -3.309 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -13.969 -4.627 -2.691 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -16.068 -3.437 -2.604 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -15.283 -1.902 -2.921 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -15.146 -4.214 -4.885 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -16.465 -3.059 -4.901 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -13.650 -1.997 -4.889 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -14.260 -2.700 -6.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -14.671 -0.329 -6.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -16.145 -1.172 -6.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -15.553 -0.491 -4.852 1.00 0.00 H new ATOM 1469 N THR A 98 -13.661 -5.155 0.106 1.00 0.00 N ATOM 1470 CA THR A 98 -14.234 -6.110 1.046 1.00 0.00 C ATOM 1471 C THR A 98 -13.861 -5.760 2.482 1.00 0.00 C ATOM 1472 O THR A 98 -14.508 -6.207 3.428 1.00 0.00 O ATOM 1473 CB THR A 98 -13.768 -7.546 0.742 1.00 0.00 C ATOM 1474 OG1 THR A 98 -12.352 -7.651 0.921 1.00 0.00 O ATOM 1475 CG2 THR A 98 -14.135 -7.945 -0.680 1.00 0.00 C ATOM 0 H THR A 98 -12.753 -5.428 -0.271 1.00 0.00 H new ATOM 0 HA THR A 98 -15.317 -6.055 0.931 1.00 0.00 H new ATOM 0 HB THR A 98 -14.272 -8.221 1.434 1.00 0.00 H new ATOM 0 HG1 THR A 98 -11.966 -6.755 1.013 1.00 0.00 H new ATOM 0 HG21 THR A 98 -13.796 -8.963 -0.871 1.00 0.00 H new ATOM 0 HG22 THR A 98 -15.217 -7.894 -0.805 1.00 0.00 H new ATOM 0 HG23 THR A 98 -13.656 -7.265 -1.384 1.00 0.00 H new ATOM 1483 N ALA A 99 -12.813 -4.958 2.637 1.00 0.00 N ATOM 1484 CA ALA A 99 -12.355 -4.546 3.958 1.00 0.00 C ATOM 1485 C ALA A 99 -13.299 -3.515 4.569 1.00 0.00 C ATOM 1486 O ALA A 99 -13.958 -2.749 3.867 1.00 0.00 O ATOM 1487 CB ALA A 99 -10.942 -3.987 3.876 1.00 0.00 C ATOM 0 H ALA A 99 -12.265 -4.581 1.864 1.00 0.00 H new ATOM 0 HA ALA A 99 -12.350 -5.424 4.604 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.613 -3.683 4.870 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.270 -4.753 3.489 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -10.930 -3.124 3.210 1.00 0.00 H new ATOM 1493 N PRO A 100 -13.367 -3.496 5.909 1.00 0.00 N ATOM 1494 CA PRO A 100 -14.228 -2.565 6.644 1.00 0.00 C ATOM 1495 C PRO A 100 -13.736 -1.124 6.550 1.00 0.00 C ATOM 1496 O PRO A 100 -12.658 -0.860 6.019 1.00 0.00 O ATOM 1497 CB PRO A 100 -14.142 -3.066 8.087 1.00 0.00 C ATOM 1498 CG PRO A 100 -12.833 -3.773 8.165 1.00 0.00 C ATOM 1499 CD PRO A 100 -12.609 -4.381 6.809 1.00 0.00 C ATOM 0 HA PRO A 100 -15.242 -2.546 6.245 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -14.189 -2.240 8.796 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -14.969 -3.736 8.323 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -12.030 -3.081 8.420 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -12.850 -4.540 8.939 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -11.551 -4.406 6.550 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -12.973 -5.407 6.764 1.00 0.00 H new ATOM 1507 N SER A 101 -14.534 -0.197 7.070 1.00 0.00 N ATOM 1508 CA SER A 101 -14.181 1.218 7.042 1.00 0.00 C ATOM 1509 C SER A 101 -12.727 1.423 7.455 1.00 0.00 C ATOM 1510 O SER A 101 -11.905 1.889 6.665 1.00 0.00 O ATOM 1511 CB SER A 101 -15.103 2.014 7.967 1.00 0.00 C ATOM 1512 OG SER A 101 -16.437 2.006 7.488 1.00 0.00 O ATOM 0 H SER A 101 -15.429 -0.400 7.516 1.00 0.00 H new ATOM 0 HA SER A 101 -14.305 1.578 6.021 1.00 0.00 H new ATOM 0 HB2 SER A 101 -15.071 1.590 8.970 1.00 0.00 H new ATOM 0 HB3 SER A 101 -14.747 3.041 8.044 1.00 0.00 H new ATOM 0 HG SER A 101 -17.007 2.520 8.098 1.00 0.00 H new ATOM 1518 N LYS A 102 -12.416 1.073 8.698 1.00 0.00 N ATOM 1519 CA LYS A 102 -11.062 1.216 9.218 1.00 0.00 C ATOM 1520 C LYS A 102 -10.153 0.114 8.683 1.00 0.00 C ATOM 1521 O LYS A 102 -10.323 -1.059 9.014 1.00 0.00 O ATOM 1522 CB LYS A 102 -11.075 1.182 10.748 1.00 0.00 C ATOM 1523 CG LYS A 102 -9.742 1.552 11.376 1.00 0.00 C ATOM 1524 CD LYS A 102 -9.917 2.058 12.798 1.00 0.00 C ATOM 1525 CE LYS A 102 -10.142 3.562 12.831 1.00 0.00 C ATOM 1526 NZ LYS A 102 -10.422 4.051 14.210 1.00 0.00 N ATOM 0 H LYS A 102 -13.085 0.688 9.365 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.672 2.178 8.885 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.841 1.867 11.112 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.358 0.183 11.078 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -9.085 0.682 11.377 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.255 2.319 10.773 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -10.763 1.552 13.264 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -9.033 1.808 13.385 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -9.261 4.070 12.437 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -10.976 3.819 12.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -10.570 5.080 14.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -11.277 3.586 14.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -9.615 3.829 14.828 1.00 0.00 H new ATOM 1540 N VAL A 103 -9.188 0.500 7.854 1.00 0.00 N ATOM 1541 CA VAL A 103 -8.251 -0.456 7.275 1.00 0.00 C ATOM 1542 C VAL A 103 -6.811 -0.088 7.614 1.00 0.00 C ATOM 1543 O VAL A 103 -6.473 1.089 7.743 1.00 0.00 O ATOM 1544 CB VAL A 103 -8.403 -0.533 5.744 1.00 0.00 C ATOM 1545 CG1 VAL A 103 -7.624 -1.715 5.189 1.00 0.00 C ATOM 1546 CG2 VAL A 103 -9.872 -0.623 5.359 1.00 0.00 C ATOM 0 H VAL A 103 -9.035 1.467 7.568 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.485 -1.430 7.706 1.00 0.00 H new ATOM 0 HB VAL A 103 -7.992 0.378 5.309 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.743 -1.753 4.106 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.568 -1.602 5.434 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -8.002 -2.638 5.628 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -9.961 -0.677 4.274 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -10.311 -1.516 5.804 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.398 0.259 5.723 1.00 0.00 H new ATOM 1556 N LYS A 104 -5.965 -1.102 7.758 1.00 0.00 N ATOM 1557 CA LYS A 104 -4.559 -0.887 8.080 1.00 0.00 C ATOM 1558 C LYS A 104 -3.673 -1.179 6.874 1.00 0.00 C ATOM 1559 O LYS A 104 -3.498 -2.335 6.484 1.00 0.00 O ATOM 1560 CB LYS A 104 -4.144 -1.772 9.258 1.00 0.00 C ATOM 1561 CG LYS A 104 -2.754 -1.467 9.787 1.00 0.00 C ATOM 1562 CD LYS A 104 -2.119 -2.691 10.426 1.00 0.00 C ATOM 1563 CE LYS A 104 -1.338 -3.509 9.408 1.00 0.00 C ATOM 1564 NZ LYS A 104 -1.312 -4.955 9.762 1.00 0.00 N ATOM 0 H LYS A 104 -6.229 -2.082 7.657 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.431 0.160 8.356 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -4.866 -1.650 10.065 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -4.185 -2.817 8.949 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.123 -1.113 8.972 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.811 -0.662 10.519 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -1.454 -2.379 11.231 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -2.894 -3.312 10.876 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -1.785 -3.384 8.422 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -0.317 -3.132 9.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -0.771 -5.478 9.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.862 -5.077 10.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -2.285 -5.321 9.797 1.00 0.00 H new ATOM 1578 N LEU A 105 -3.116 -0.126 6.286 1.00 0.00 N ATOM 1579 CA LEU A 105 -2.246 -0.270 5.124 1.00 0.00 C ATOM 1580 C LEU A 105 -0.784 -0.368 5.547 1.00 0.00 C ATOM 1581 O LEU A 105 -0.338 0.345 6.446 1.00 0.00 O ATOM 1582 CB LEU A 105 -2.435 0.912 4.171 1.00 0.00 C ATOM 1583 CG LEU A 105 -3.876 1.221 3.763 1.00 0.00 C ATOM 1584 CD1 LEU A 105 -4.037 2.701 3.454 1.00 0.00 C ATOM 1585 CD2 LEU A 105 -4.284 0.377 2.565 1.00 0.00 C ATOM 0 H LEU A 105 -3.251 0.837 6.595 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.518 -1.191 4.609 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.012 1.801 4.639 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.856 0.721 3.268 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.531 0.971 4.598 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.069 2.902 3.165 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.787 3.287 4.339 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.371 2.976 2.636 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.312 0.610 2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.624 0.595 1.725 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.208 -0.680 2.822 1.00 0.00 H new ATOM 1597 N VAL A 106 -0.042 -1.255 4.891 1.00 0.00 N ATOM 1598 CA VAL A 106 1.371 -1.444 5.197 1.00 0.00 C ATOM 1599 C VAL A 106 2.229 -1.298 3.945 1.00 0.00 C ATOM 1600 O VAL A 106 2.294 -2.204 3.115 1.00 0.00 O ATOM 1601 CB VAL A 106 1.630 -2.827 5.824 1.00 0.00 C ATOM 1602 CG1 VAL A 106 3.114 -3.022 6.095 1.00 0.00 C ATOM 1603 CG2 VAL A 106 0.820 -2.993 7.101 1.00 0.00 C ATOM 0 H VAL A 106 -0.396 -1.854 4.145 1.00 0.00 H new ATOM 0 HA VAL A 106 1.645 -0.671 5.915 1.00 0.00 H new ATOM 0 HB VAL A 106 1.311 -3.592 5.116 1.00 0.00 H new ATOM 0 HG11 VAL A 106 3.277 -4.005 6.538 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.667 -2.950 5.159 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.463 -2.252 6.783 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.015 -3.976 7.531 1.00 0.00 H new ATOM 0 HG22 VAL A 106 1.106 -2.221 7.816 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -0.242 -2.901 6.873 1.00 0.00 H new ATOM 1613 N PHE A 107 2.886 -0.150 3.816 1.00 0.00 N ATOM 1614 CA PHE A 107 3.740 0.117 2.664 1.00 0.00 C ATOM 1615 C PHE A 107 5.121 0.587 3.109 1.00 0.00 C ATOM 1616 O PHE A 107 5.394 0.705 4.304 1.00 0.00 O ATOM 1617 CB PHE A 107 3.097 1.169 1.758 1.00 0.00 C ATOM 1618 CG PHE A 107 2.803 2.464 2.459 1.00 0.00 C ATOM 1619 CD1 PHE A 107 3.795 3.415 2.632 1.00 0.00 C ATOM 1620 CD2 PHE A 107 1.533 2.731 2.946 1.00 0.00 C ATOM 1621 CE1 PHE A 107 3.527 4.607 3.278 1.00 0.00 C ATOM 1622 CE2 PHE A 107 1.258 3.921 3.592 1.00 0.00 C ATOM 1623 CZ PHE A 107 2.256 4.861 3.757 1.00 0.00 C ATOM 0 H PHE A 107 2.844 0.610 4.495 1.00 0.00 H new ATOM 0 HA PHE A 107 3.855 -0.812 2.105 1.00 0.00 H new ATOM 0 HB2 PHE A 107 3.759 1.364 0.914 1.00 0.00 H new ATOM 0 HB3 PHE A 107 2.170 0.767 1.350 1.00 0.00 H new ATOM 0 HD1 PHE A 107 4.790 3.223 2.258 1.00 0.00 H new ATOM 0 HD2 PHE A 107 0.749 2.000 2.819 1.00 0.00 H new ATOM 0 HE1 PHE A 107 4.310 5.339 3.408 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.264 4.116 3.967 1.00 0.00 H new ATOM 0 HZ PHE A 107 2.044 5.793 4.260 1.00 0.00 H new ATOM 1633 N ILE A 108 5.990 0.854 2.139 1.00 0.00 N ATOM 1634 CA ILE A 108 7.342 1.313 2.430 1.00 0.00 C ATOM 1635 C ILE A 108 7.671 2.583 1.654 1.00 0.00 C ATOM 1636 O ILE A 108 7.569 2.618 0.427 1.00 0.00 O ATOM 1637 CB ILE A 108 8.387 0.233 2.092 1.00 0.00 C ATOM 1638 CG1 ILE A 108 9.798 0.749 2.383 1.00 0.00 C ATOM 1639 CG2 ILE A 108 8.262 -0.188 0.635 1.00 0.00 C ATOM 1640 CD1 ILE A 108 10.814 -0.353 2.590 1.00 0.00 C ATOM 0 H ILE A 108 5.781 0.760 1.145 1.00 0.00 H new ATOM 0 HA ILE A 108 7.381 1.524 3.499 1.00 0.00 H new ATOM 0 HB ILE A 108 8.202 -0.639 2.719 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.123 1.381 1.556 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.770 1.378 3.273 1.00 0.00 H new ATOM 0 HG21 ILE A 108 9.007 -0.952 0.412 1.00 0.00 H new ATOM 0 HG22 ILE A 108 7.265 -0.591 0.457 1.00 0.00 H new ATOM 0 HG23 ILE A 108 8.424 0.677 -0.009 1.00 0.00 H new ATOM 0 HD11 ILE A 108 11.791 0.086 2.792 1.00 0.00 H new ATOM 0 HD12 ILE A 108 10.513 -0.972 3.435 1.00 0.00 H new ATOM 0 HD13 ILE A 108 10.871 -0.969 1.692 1.00 0.00 H new ATOM 1652 N ARG A 109 8.068 3.626 2.377 1.00 0.00 N ATOM 1653 CA ARG A 109 8.413 4.899 1.756 1.00 0.00 C ATOM 1654 C ARG A 109 9.813 4.847 1.151 1.00 0.00 C ATOM 1655 O ARG A 109 10.729 4.266 1.731 1.00 0.00 O ATOM 1656 CB ARG A 109 8.330 6.030 2.782 1.00 0.00 C ATOM 1657 CG ARG A 109 7.022 6.803 2.733 1.00 0.00 C ATOM 1658 CD ARG A 109 6.761 7.539 4.038 1.00 0.00 C ATOM 1659 NE ARG A 109 5.965 8.746 3.836 1.00 0.00 N ATOM 1660 CZ ARG A 109 5.533 9.517 4.828 1.00 0.00 C ATOM 1661 NH1 ARG A 109 5.819 9.207 6.085 1.00 0.00 N ATOM 1662 NH2 ARG A 109 4.814 10.600 4.564 1.00 0.00 N ATOM 0 H ARG A 109 8.158 3.614 3.393 1.00 0.00 H new ATOM 0 HA ARG A 109 7.698 5.091 0.956 1.00 0.00 H new ATOM 0 HB2 ARG A 109 8.458 5.613 3.781 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.157 6.721 2.616 1.00 0.00 H new ATOM 0 HG2 ARG A 109 7.051 7.518 1.910 1.00 0.00 H new ATOM 0 HG3 ARG A 109 6.200 6.117 2.530 1.00 0.00 H new ATOM 0 HD2 ARG A 109 6.244 6.876 4.731 1.00 0.00 H new ATOM 0 HD3 ARG A 109 7.712 7.805 4.501 1.00 0.00 H new ATOM 0 HE ARG A 109 5.727 9.012 2.880 1.00 0.00 H new ATOM 0 HH11 ARG A 109 6.372 8.375 6.292 1.00 0.00 H new ATOM 0 HH12 ARG A 109 5.486 9.800 6.845 1.00 0.00 H new ATOM 0 HH21 ARG A 109 4.592 10.842 3.598 1.00 0.00 H new ATOM 0 HH22 ARG A 109 4.483 11.191 5.327 1.00 0.00 H new ATOM 1676 N ASN A 110 9.970 5.459 -0.018 1.00 0.00 N ATOM 1677 CA ASN A 110 11.257 5.482 -0.702 1.00 0.00 C ATOM 1678 C ASN A 110 11.242 6.477 -1.859 1.00 0.00 C ATOM 1679 O ASN A 110 10.316 6.487 -2.669 1.00 0.00 O ATOM 1680 CB ASN A 110 11.608 4.086 -1.221 1.00 0.00 C ATOM 1681 CG ASN A 110 13.105 3.852 -1.285 1.00 0.00 C ATOM 1682 OD1 ASN A 110 13.896 4.789 -1.174 1.00 0.00 O ATOM 1683 ND2 ASN A 110 13.500 2.597 -1.466 1.00 0.00 N ATOM 0 H ASN A 110 9.222 5.946 -0.511 1.00 0.00 H new ATOM 0 HA ASN A 110 12.015 5.797 0.015 1.00 0.00 H new ATOM 0 HB2 ASN A 110 11.153 3.336 -0.574 1.00 0.00 H new ATOM 0 HB3 ASN A 110 11.179 3.952 -2.214 1.00 0.00 H new ATOM 0 HD21 ASN A 110 14.495 2.378 -1.518 1.00 0.00 H new ATOM 0 HD22 ASN A 110 12.809 1.852 -1.553 1.00 0.00 H new ATOM 1690 N GLU A 111 12.274 7.313 -1.928 1.00 0.00 N ATOM 1691 CA GLU A 111 12.377 8.312 -2.985 1.00 0.00 C ATOM 1692 C GLU A 111 12.789 7.666 -4.305 1.00 0.00 C ATOM 1693 O GLU A 111 12.560 8.223 -5.378 1.00 0.00 O ATOM 1694 CB GLU A 111 13.388 9.393 -2.597 1.00 0.00 C ATOM 1695 CG GLU A 111 14.831 8.922 -2.640 1.00 0.00 C ATOM 1696 CD GLU A 111 15.778 9.875 -1.936 1.00 0.00 C ATOM 1697 OE1 GLU A 111 15.460 10.301 -0.807 1.00 0.00 O ATOM 1698 OE2 GLU A 111 16.837 10.194 -2.517 1.00 0.00 O ATOM 0 H GLU A 111 13.049 7.318 -1.265 1.00 0.00 H new ATOM 0 HA GLU A 111 11.397 8.770 -3.115 1.00 0.00 H new ATOM 0 HB2 GLU A 111 13.273 10.244 -3.268 1.00 0.00 H new ATOM 0 HB3 GLU A 111 13.160 9.747 -1.592 1.00 0.00 H new ATOM 0 HG2 GLU A 111 14.902 7.938 -2.177 1.00 0.00 H new ATOM 0 HG3 GLU A 111 15.141 8.809 -3.679 1.00 0.00 H new ATOM 1705 N ASP A 112 13.397 6.489 -4.216 1.00 0.00 N ATOM 1706 CA ASP A 112 13.840 5.766 -5.403 1.00 0.00 C ATOM 1707 C ASP A 112 12.682 5.003 -6.039 1.00 0.00 C ATOM 1708 O ASP A 112 12.705 4.701 -7.232 1.00 0.00 O ATOM 1709 CB ASP A 112 14.969 4.798 -5.045 1.00 0.00 C ATOM 1710 CG ASP A 112 16.203 5.513 -4.530 1.00 0.00 C ATOM 1711 OD1 ASP A 112 16.130 6.109 -3.435 1.00 0.00 O ATOM 1712 OD2 ASP A 112 17.242 5.475 -5.222 1.00 0.00 O ATOM 0 H ASP A 112 13.595 6.015 -3.335 1.00 0.00 H new ATOM 0 HA ASP A 112 14.211 6.494 -6.124 1.00 0.00 H new ATOM 0 HB2 ASP A 112 14.616 4.097 -4.288 1.00 0.00 H new ATOM 0 HB3 ASP A 112 15.233 4.211 -5.925 1.00 0.00 H new ATOM 1717 N ALA A 113 11.671 4.694 -5.234 1.00 0.00 N ATOM 1718 CA ALA A 113 10.504 3.967 -5.718 1.00 0.00 C ATOM 1719 C ALA A 113 9.854 4.692 -6.892 1.00 0.00 C ATOM 1720 O ALA A 113 9.597 4.095 -7.937 1.00 0.00 O ATOM 1721 CB ALA A 113 9.498 3.774 -4.592 1.00 0.00 C ATOM 0 H ALA A 113 11.637 4.936 -4.244 1.00 0.00 H new ATOM 0 HA ALA A 113 10.835 2.989 -6.067 1.00 0.00 H new ATOM 0 HB1 ALA A 113 8.632 3.230 -4.968 1.00 0.00 H new ATOM 0 HB2 ALA A 113 9.961 3.207 -3.784 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.181 4.747 -4.217 1.00 0.00 H new ATOM 1727 N VAL A 114 9.591 5.982 -6.712 1.00 0.00 N ATOM 1728 CA VAL A 114 8.971 6.789 -7.757 1.00 0.00 C ATOM 1729 C VAL A 114 9.543 6.445 -9.128 1.00 0.00 C ATOM 1730 O VAL A 114 8.830 6.456 -10.130 1.00 0.00 O ATOM 1731 CB VAL A 114 9.165 8.294 -7.494 1.00 0.00 C ATOM 1732 CG1 VAL A 114 8.542 8.688 -6.164 1.00 0.00 C ATOM 1733 CG2 VAL A 114 10.643 8.653 -7.527 1.00 0.00 C ATOM 0 H VAL A 114 9.797 6.491 -5.853 1.00 0.00 H new ATOM 0 HA VAL A 114 7.905 6.561 -7.743 1.00 0.00 H new ATOM 0 HB VAL A 114 8.661 8.852 -8.283 1.00 0.00 H new ATOM 0 HG11 VAL A 114 8.689 9.755 -5.995 1.00 0.00 H new ATOM 0 HG12 VAL A 114 7.475 8.467 -6.183 1.00 0.00 H new ATOM 0 HG13 VAL A 114 9.015 8.125 -5.360 1.00 0.00 H new ATOM 0 HG21 VAL A 114 10.763 9.720 -7.339 1.00 0.00 H new ATOM 0 HG22 VAL A 114 11.172 8.088 -6.759 1.00 0.00 H new ATOM 0 HG23 VAL A 114 11.055 8.408 -8.506 1.00 0.00 H new ATOM 1743 N ASN A 115 10.837 6.140 -9.164 1.00 0.00 N ATOM 1744 CA ASN A 115 11.506 5.793 -10.413 1.00 0.00 C ATOM 1745 C ASN A 115 11.117 4.389 -10.866 1.00 0.00 C ATOM 1746 O ASN A 115 10.908 4.147 -12.054 1.00 0.00 O ATOM 1747 CB ASN A 115 13.024 5.886 -10.245 1.00 0.00 C ATOM 1748 CG ASN A 115 13.523 7.317 -10.278 1.00 0.00 C ATOM 1749 OD1 ASN A 115 13.609 7.932 -11.341 1.00 0.00 O ATOM 1750 ND2 ASN A 115 13.856 7.855 -9.110 1.00 0.00 N ATOM 0 H ASN A 115 11.442 6.126 -8.343 1.00 0.00 H new ATOM 0 HA ASN A 115 11.188 6.503 -11.177 1.00 0.00 H new ATOM 0 HB2 ASN A 115 13.311 5.426 -9.299 1.00 0.00 H new ATOM 0 HB3 ASN A 115 13.510 5.316 -11.037 1.00 0.00 H new ATOM 0 HD21 ASN A 115 14.199 8.815 -9.070 1.00 0.00 H new ATOM 0 HD22 ASN A 115 13.769 7.308 -8.253 1.00 0.00 H new ATOM 1757 N GLN A 116 11.023 3.470 -9.911 1.00 0.00 N ATOM 1758 CA GLN A 116 10.660 2.090 -10.213 1.00 0.00 C ATOM 1759 C GLN A 116 9.196 1.991 -10.629 1.00 0.00 C ATOM 1760 O GLN A 116 8.875 1.420 -11.671 1.00 0.00 O ATOM 1761 CB GLN A 116 10.919 1.196 -8.999 1.00 0.00 C ATOM 1762 CG GLN A 116 12.351 1.254 -8.495 1.00 0.00 C ATOM 1763 CD GLN A 116 13.369 1.163 -9.615 1.00 0.00 C ATOM 1764 OE1 GLN A 116 13.276 0.295 -10.484 1.00 0.00 O ATOM 1765 NE2 GLN A 116 14.347 2.060 -9.601 1.00 0.00 N ATOM 0 H GLN A 116 11.193 3.655 -8.922 1.00 0.00 H new ATOM 0 HA GLN A 116 11.278 1.751 -11.044 1.00 0.00 H new ATOM 0 HB2 GLN A 116 10.247 1.489 -8.193 1.00 0.00 H new ATOM 0 HB3 GLN A 116 10.675 0.166 -9.258 1.00 0.00 H new ATOM 0 HG2 GLN A 116 12.502 2.184 -7.947 1.00 0.00 H new ATOM 0 HG3 GLN A 116 12.517 0.439 -7.791 1.00 0.00 H new ATOM 0 HE21 GLN A 116 14.385 2.762 -8.862 1.00 0.00 H new ATOM 0 HE22 GLN A 116 15.061 2.048 -10.330 1.00 0.00 H new ATOM 1774 N MET A 117 8.313 2.551 -9.809 1.00 0.00 N ATOM 1775 CA MET A 117 6.883 2.526 -10.093 1.00 0.00 C ATOM 1776 C MET A 117 6.596 3.083 -11.484 1.00 0.00 C ATOM 1777 O MET A 117 7.211 4.059 -11.912 1.00 0.00 O ATOM 1778 CB MET A 117 6.118 3.332 -9.041 1.00 0.00 C ATOM 1779 CG MET A 117 6.643 4.747 -8.859 1.00 0.00 C ATOM 1780 SD MET A 117 5.837 5.932 -9.953 1.00 0.00 S ATOM 1781 CE MET A 117 5.117 7.058 -8.761 1.00 0.00 C ATOM 0 H MET A 117 8.563 3.028 -8.942 1.00 0.00 H new ATOM 0 HA MET A 117 6.549 1.489 -10.059 1.00 0.00 H new ATOM 0 HB2 MET A 117 5.066 3.377 -9.324 1.00 0.00 H new ATOM 0 HB3 MET A 117 6.169 2.809 -8.086 1.00 0.00 H new ATOM 0 HG2 MET A 117 6.495 5.055 -7.824 1.00 0.00 H new ATOM 0 HG3 MET A 117 7.717 4.759 -9.045 1.00 0.00 H new ATOM 0 HE1 MET A 117 4.413 7.720 -9.265 1.00 0.00 H new ATOM 0 HE2 MET A 117 4.594 6.489 -7.993 1.00 0.00 H new ATOM 0 HE3 MET A 117 5.906 7.652 -8.299 1.00 0.00 H new ATOM 1791 N ALA A 118 5.658 2.455 -12.186 1.00 0.00 N ATOM 1792 CA ALA A 118 5.288 2.888 -13.528 1.00 0.00 C ATOM 1793 C ALA A 118 4.352 4.090 -13.477 1.00 0.00 C ATOM 1794 O ALA A 118 4.066 4.622 -12.405 1.00 0.00 O ATOM 1795 CB ALA A 118 4.641 1.744 -14.293 1.00 0.00 C ATOM 0 H ALA A 118 5.140 1.644 -11.847 1.00 0.00 H new ATOM 0 HA ALA A 118 6.196 3.189 -14.049 1.00 0.00 H new ATOM 0 HB1 ALA A 118 4.370 2.082 -15.293 1.00 0.00 H new ATOM 0 HB2 ALA A 118 5.343 0.914 -14.369 1.00 0.00 H new ATOM 0 HB3 ALA A 118 3.745 1.415 -13.766 1.00 0.00 H new