USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 967 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 94 LYS NZ :NH3+ -167:sc= 0.147 (180deg=0) USER MOD Set 1.2: A 107 HIS : no HD1:sc=0.000886 X(o=0.15,f=-0.02) USER MOD Set 2.1: A 26 THR OG1 : rot -140:sc= 0.0438 USER MOD Set 2.2: A 60 ASN : amide:sc= 0.222 K(o=0.31,f=-3.9!) USER MOD Set 2.3: A 62 THR OG1 : rot 146:sc= 0.0415 USER MOD Set 3.1: A 5 THR OG1 : rot 180:sc= 0.0716 USER MOD Set 3.2: A 8 GLN : amide:sc= -0.31 K(o=-0.24,f=-0.87) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.356 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0121 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 81:sc= 0.347 USER MOD Single : A 36 MET CE :methyl 162:sc= 0 (180deg=-0.485) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= -0.136 K(o=-0.14,f=-7.8!) USER MOD Single : A 44 THR OG1 : rot -93:sc= 1.29 USER MOD Single : A 49 GLN : amide:sc= -0.0982 K(o=-0.098,f=-1.9!) USER MOD Single : A 51 MET CE :methyl 163:sc= 0 (180deg=-0.162) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 87:sc= 0.704 USER MOD Single : A 71 MET CE :methyl -165:sc= -1.43 (180deg=-2.9!) USER MOD Single : A 72 MET CE :methyl -128:sc= 0 (180deg=-0.0223) USER MOD Single : A 97 ASN : amide:sc= 0.0636 K(o=0.064,f=-2) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.232 USER MOD Single : A 109 MET CE :methyl -170:sc= 0 (180deg=-0.0486) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.0176 USER MOD Single : A 111 ASN : amide:sc=-0.00992 X(o=-0.0099,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.221 USER MOD Single : A 124 MET CE :methyl -128:sc=-0.00266 (180deg=-0.674) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 137 ASN : amide:sc= 0.784 K(o=0.78,f=-5.3!) USER MOD Single : A 138 TYR OH : rot 180:sc= -0.0313 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 MET CE :methyl 155:sc= 0 (180deg=-0.66) USER MOD Single : A 145 MET CE :methyl -170:sc= -0.664 (180deg=-0.963) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -13.870 17.468 0.367 1.00 0.00 N ATOM 59 CA THR A 5 -14.570 18.376 -0.487 1.00 0.00 C ATOM 60 C THR A 5 -15.746 17.676 -1.076 1.00 0.00 C ATOM 61 O THR A 5 -15.855 16.454 -0.988 1.00 0.00 O ATOM 62 CB THR A 5 -13.723 18.990 -1.562 1.00 0.00 C ATOM 63 OG1 THR A 5 -13.347 18.113 -2.614 1.00 0.00 O ATOM 64 CG2 THR A 5 -12.406 19.494 -0.949 1.00 0.00 C ATOM 0 HA THR A 5 -14.889 19.214 0.133 1.00 0.00 H new ATOM 0 HB THR A 5 -14.349 19.776 -1.983 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.800 18.599 -3.266 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.789 19.941 -1.729 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.623 20.241 -0.185 1.00 0.00 H new ATOM 0 HG23 THR A 5 -11.871 18.658 -0.498 1.00 0.00 H new ATOM 72 N GLU A 6 -16.766 18.386 -1.590 1.00 0.00 N ATOM 73 CA GLU A 6 -17.988 17.813 -2.062 1.00 0.00 C ATOM 74 C GLU A 6 -17.700 17.041 -3.303 1.00 0.00 C ATOM 75 O GLU A 6 -18.422 16.070 -3.519 1.00 0.00 O ATOM 76 CB GLU A 6 -18.981 18.946 -2.370 1.00 0.00 C ATOM 77 CG GLU A 6 -18.986 20.068 -1.330 1.00 0.00 C ATOM 78 CD GLU A 6 -19.381 19.454 0.006 1.00 0.00 C ATOM 79 OE1 GLU A 6 -20.449 18.796 0.117 1.00 0.00 O ATOM 80 OE2 GLU A 6 -18.639 19.737 0.984 1.00 0.00 O ATOM 0 H GLU A 6 -16.738 19.402 -1.680 1.00 0.00 H new ATOM 0 HA GLU A 6 -18.418 17.151 -1.310 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -18.742 19.370 -3.345 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -19.984 18.526 -2.442 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -18.002 20.532 -1.262 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -19.689 20.851 -1.615 1.00 0.00 H new ATOM 87 N GLU A 7 -16.664 17.410 -4.078 1.00 0.00 N ATOM 88 CA GLU A 7 -16.245 16.786 -5.295 1.00 0.00 C ATOM 89 C GLU A 7 -15.605 15.490 -4.931 1.00 0.00 C ATOM 90 O GLU A 7 -15.897 14.461 -5.538 1.00 0.00 O ATOM 91 CB GLU A 7 -15.197 17.586 -6.086 1.00 0.00 C ATOM 92 CG GLU A 7 -15.633 19.007 -6.450 1.00 0.00 C ATOM 93 CD GLU A 7 -14.854 19.815 -7.476 1.00 0.00 C ATOM 94 OE1 GLU A 7 -13.723 20.300 -7.206 1.00 0.00 O ATOM 95 OE2 GLU A 7 -15.438 19.900 -8.590 1.00 0.00 O ATOM 0 H GLU A 7 -16.075 18.206 -3.834 1.00 0.00 H new ATOM 0 HA GLU A 7 -17.131 16.692 -5.923 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -14.279 17.639 -5.500 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.960 17.045 -7.002 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -16.663 18.947 -6.802 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -15.645 19.586 -5.527 1.00 0.00 H new ATOM 102 N GLN A 8 -14.714 15.447 -3.925 1.00 0.00 N ATOM 103 CA GLN A 8 -14.164 14.281 -3.305 1.00 0.00 C ATOM 104 C GLN A 8 -15.238 13.359 -2.842 1.00 0.00 C ATOM 105 O GLN A 8 -15.126 12.181 -3.179 1.00 0.00 O ATOM 106 CB GLN A 8 -13.107 14.586 -2.230 1.00 0.00 C ATOM 107 CG GLN A 8 -11.811 15.125 -2.838 1.00 0.00 C ATOM 108 CD GLN A 8 -10.885 15.573 -1.717 1.00 0.00 C ATOM 109 OE1 GLN A 8 -11.275 16.381 -0.876 1.00 0.00 O ATOM 110 NE2 GLN A 8 -9.668 14.972 -1.628 1.00 0.00 N ATOM 0 H GLN A 8 -14.347 16.304 -3.510 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.604 13.753 -4.077 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.507 15.314 -1.525 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.893 13.679 -1.665 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.329 14.354 -3.439 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -12.027 15.960 -3.504 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.375 14.306 -2.343 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -9.049 15.187 -0.847 1.00 0.00 H new ATOM 119 N ILE A 9 -16.200 13.849 -2.039 1.00 0.00 N ATOM 120 CA ILE A 9 -17.214 13.010 -1.481 1.00 0.00 C ATOM 121 C ILE A 9 -18.246 12.611 -2.479 1.00 0.00 C ATOM 122 O ILE A 9 -18.695 11.466 -2.481 1.00 0.00 O ATOM 123 CB ILE A 9 -17.901 13.732 -0.359 1.00 0.00 C ATOM 124 CG1 ILE A 9 -17.120 13.836 0.961 1.00 0.00 C ATOM 125 CG2 ILE A 9 -19.310 13.216 -0.019 1.00 0.00 C ATOM 126 CD1 ILE A 9 -16.648 12.488 1.503 1.00 0.00 C ATOM 0 H ILE A 9 -16.275 14.832 -1.775 1.00 0.00 H new ATOM 0 HA ILE A 9 -16.716 12.107 -1.128 1.00 0.00 H new ATOM 0 HB ILE A 9 -17.967 14.727 -0.800 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -16.254 14.481 0.811 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -17.750 14.318 1.709 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -19.723 13.800 0.803 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -19.954 13.314 -0.893 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -19.253 12.168 0.274 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -16.105 12.641 2.436 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -17.511 11.847 1.686 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.991 12.013 0.774 1.00 0.00 H new ATOM 138 N ALA A 10 -18.562 13.416 -3.509 1.00 0.00 N ATOM 139 CA ALA A 10 -19.243 13.017 -4.702 1.00 0.00 C ATOM 140 C ALA A 10 -18.585 11.906 -5.445 1.00 0.00 C ATOM 141 O ALA A 10 -19.280 11.030 -5.957 1.00 0.00 O ATOM 142 CB ALA A 10 -19.738 14.064 -5.714 1.00 0.00 C ATOM 0 H ALA A 10 -18.327 14.408 -3.508 1.00 0.00 H new ATOM 0 HA ALA A 10 -20.157 12.689 -4.207 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -20.227 13.561 -6.548 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -20.447 14.734 -5.227 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -18.891 14.641 -6.085 1.00 0.00 H new ATOM 148 N GLU A 11 -17.247 11.836 -5.565 1.00 0.00 N ATOM 149 CA GLU A 11 -16.451 10.855 -6.233 1.00 0.00 C ATOM 150 C GLU A 11 -16.646 9.537 -5.565 1.00 0.00 C ATOM 151 O GLU A 11 -17.008 8.569 -6.231 1.00 0.00 O ATOM 152 CB GLU A 11 -14.953 11.191 -6.127 1.00 0.00 C ATOM 153 CG GLU A 11 -14.133 10.469 -7.197 1.00 0.00 C ATOM 154 CD GLU A 11 -14.719 10.594 -8.596 1.00 0.00 C ATOM 155 OE1 GLU A 11 -14.450 11.650 -9.229 1.00 0.00 O ATOM 156 OE2 GLU A 11 -15.354 9.674 -9.178 1.00 0.00 O ATOM 0 H GLU A 11 -16.658 12.554 -5.142 1.00 0.00 H new ATOM 0 HA GLU A 11 -16.755 10.833 -7.280 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -14.814 12.267 -6.227 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.587 10.913 -5.139 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.119 10.870 -7.199 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -14.058 9.413 -6.936 1.00 0.00 H new ATOM 163 N PHE A 12 -16.413 9.547 -4.240 1.00 0.00 N ATOM 164 CA PHE A 12 -16.654 8.451 -3.354 1.00 0.00 C ATOM 165 C PHE A 12 -18.089 8.050 -3.357 1.00 0.00 C ATOM 166 O PHE A 12 -18.379 6.860 -3.239 1.00 0.00 O ATOM 167 CB PHE A 12 -16.137 8.802 -1.948 1.00 0.00 C ATOM 168 CG PHE A 12 -14.667 9.033 -1.871 1.00 0.00 C ATOM 169 CD1 PHE A 12 -13.798 8.055 -2.294 1.00 0.00 C ATOM 170 CD2 PHE A 12 -14.243 10.134 -1.165 1.00 0.00 C ATOM 171 CE1 PHE A 12 -12.465 8.224 -2.002 1.00 0.00 C ATOM 172 CE2 PHE A 12 -12.918 10.260 -0.819 1.00 0.00 C ATOM 173 CZ PHE A 12 -12.033 9.320 -1.293 1.00 0.00 C ATOM 0 H PHE A 12 -16.036 10.365 -3.762 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.103 7.579 -3.705 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.652 9.697 -1.598 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -16.402 7.995 -1.265 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.149 7.188 -2.834 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -14.950 10.900 -0.882 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.749 7.487 -2.334 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.582 11.074 -0.193 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.977 9.445 -1.104 1.00 0.00 H new ATOM 183 N LYS A 13 -19.068 8.949 -3.556 1.00 0.00 N ATOM 184 CA LYS A 13 -20.442 8.554 -3.611 1.00 0.00 C ATOM 185 C LYS A 13 -20.829 7.857 -4.870 1.00 0.00 C ATOM 186 O LYS A 13 -21.485 6.817 -4.894 1.00 0.00 O ATOM 187 CB LYS A 13 -21.427 9.721 -3.433 1.00 0.00 C ATOM 188 CG LYS A 13 -22.919 9.385 -3.449 1.00 0.00 C ATOM 189 CD LYS A 13 -23.628 10.383 -2.531 1.00 0.00 C ATOM 190 CE LYS A 13 -23.600 11.895 -2.761 1.00 0.00 C ATOM 191 NZ LYS A 13 -23.970 12.226 -4.155 1.00 0.00 N ATOM 0 H LYS A 13 -18.909 9.949 -3.679 1.00 0.00 H new ATOM 0 HA LYS A 13 -20.515 7.864 -2.771 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -21.201 10.212 -2.486 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -21.236 10.448 -4.223 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -23.315 9.449 -4.463 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -23.085 8.364 -3.106 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -24.679 10.093 -2.512 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -23.233 10.216 -1.529 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -24.289 12.384 -2.072 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -22.604 12.281 -2.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -23.944 13.257 -4.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -23.297 11.777 -4.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -24.930 11.877 -4.352 1.00 0.00 H new ATOM 205 N GLU A 14 -20.417 8.373 -6.042 1.00 0.00 N ATOM 206 CA GLU A 14 -20.464 7.640 -7.269 1.00 0.00 C ATOM 207 C GLU A 14 -19.837 6.289 -7.230 1.00 0.00 C ATOM 208 O GLU A 14 -20.401 5.330 -7.755 1.00 0.00 O ATOM 209 CB GLU A 14 -19.914 8.407 -8.483 1.00 0.00 C ATOM 210 CG GLU A 14 -20.680 9.700 -8.768 1.00 0.00 C ATOM 211 CD GLU A 14 -22.049 9.362 -9.341 1.00 0.00 C ATOM 212 OE1 GLU A 14 -22.205 8.661 -10.376 1.00 0.00 O ATOM 213 OE2 GLU A 14 -23.014 9.692 -8.602 1.00 0.00 O ATOM 0 H GLU A 14 -20.044 9.317 -6.139 1.00 0.00 H new ATOM 0 HA GLU A 14 -21.538 7.502 -7.394 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -18.864 8.643 -8.312 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -19.957 7.764 -9.362 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -20.790 10.280 -7.851 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -20.122 10.319 -9.471 1.00 0.00 H new ATOM 220 N ALA A 15 -18.699 6.117 -6.534 1.00 0.00 N ATOM 221 CA ALA A 15 -18.067 4.856 -6.296 1.00 0.00 C ATOM 222 C ALA A 15 -18.834 3.865 -5.489 1.00 0.00 C ATOM 223 O ALA A 15 -18.859 2.705 -5.897 1.00 0.00 O ATOM 224 CB ALA A 15 -16.740 5.098 -5.555 1.00 0.00 C ATOM 0 H ALA A 15 -18.194 6.898 -6.116 1.00 0.00 H new ATOM 0 HA ALA A 15 -17.958 4.422 -7.290 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.249 4.143 -5.368 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.092 5.726 -6.166 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.939 5.596 -4.606 1.00 0.00 H new ATOM 230 N PHE A 16 -19.535 4.365 -4.457 1.00 0.00 N ATOM 231 CA PHE A 16 -20.545 3.647 -3.742 1.00 0.00 C ATOM 232 C PHE A 16 -21.680 3.134 -4.559 1.00 0.00 C ATOM 233 O PHE A 16 -22.136 2.016 -4.325 1.00 0.00 O ATOM 234 CB PHE A 16 -20.955 4.504 -2.533 1.00 0.00 C ATOM 235 CG PHE A 16 -21.673 3.714 -1.493 1.00 0.00 C ATOM 236 CD1 PHE A 16 -22.997 3.399 -1.686 1.00 0.00 C ATOM 237 CD2 PHE A 16 -20.926 3.267 -0.429 1.00 0.00 C ATOM 238 CE1 PHE A 16 -23.563 2.581 -0.737 1.00 0.00 C ATOM 239 CE2 PHE A 16 -21.623 2.605 0.553 1.00 0.00 C ATOM 240 CZ PHE A 16 -22.948 2.251 0.448 1.00 0.00 C ATOM 0 H PHE A 16 -19.392 5.312 -4.105 1.00 0.00 H new ATOM 0 HA PHE A 16 -20.120 2.705 -3.397 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -20.066 4.955 -2.093 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -21.593 5.321 -2.870 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -23.558 3.771 -2.531 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -19.859 3.426 -0.369 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -24.545 2.175 -0.933 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -21.099 2.347 1.462 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.472 1.746 1.246 1.00 0.00 H new ATOM 250 N SER A 17 -22.198 3.935 -5.506 1.00 0.00 N ATOM 251 CA SER A 17 -23.298 3.524 -6.323 1.00 0.00 C ATOM 252 C SER A 17 -22.907 2.531 -7.363 1.00 0.00 C ATOM 253 O SER A 17 -23.783 1.815 -7.845 1.00 0.00 O ATOM 254 CB SER A 17 -24.032 4.708 -6.974 1.00 0.00 C ATOM 255 OG SER A 17 -24.460 5.652 -6.004 1.00 0.00 O ATOM 0 H SER A 17 -21.853 4.873 -5.707 1.00 0.00 H new ATOM 0 HA SER A 17 -23.990 3.036 -5.636 1.00 0.00 H new ATOM 0 HB2 SER A 17 -23.373 5.196 -7.692 1.00 0.00 H new ATOM 0 HB3 SER A 17 -24.894 4.341 -7.531 1.00 0.00 H new ATOM 0 HG SER A 17 -24.921 6.393 -6.450 1.00 0.00 H new ATOM 261 N LEU A 18 -21.597 2.432 -7.649 1.00 0.00 N ATOM 262 CA LEU A 18 -21.110 1.376 -8.481 1.00 0.00 C ATOM 263 C LEU A 18 -20.988 0.062 -7.788 1.00 0.00 C ATOM 264 O LEU A 18 -21.128 -0.961 -8.456 1.00 0.00 O ATOM 265 CB LEU A 18 -19.734 1.679 -9.097 1.00 0.00 C ATOM 266 CG LEU A 18 -19.620 2.719 -10.224 1.00 0.00 C ATOM 267 CD1 LEU A 18 -18.138 2.809 -10.627 1.00 0.00 C ATOM 268 CD2 LEU A 18 -20.406 2.335 -11.489 1.00 0.00 C ATOM 0 H LEU A 18 -20.882 3.075 -7.309 1.00 0.00 H new ATOM 0 HA LEU A 18 -21.873 1.311 -9.256 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -19.078 2.001 -8.288 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -19.333 0.740 -9.478 1.00 0.00 H new ATOM 0 HG LEU A 18 -20.028 3.656 -9.844 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -18.022 3.540 -11.427 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -17.545 3.116 -9.766 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -17.796 1.834 -10.974 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -20.283 3.112 -12.244 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -20.030 1.388 -11.877 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -21.463 2.232 -11.243 1.00 0.00 H new ATOM 280 N PHE A 19 -20.899 0.088 -6.447 1.00 0.00 N ATOM 281 CA PHE A 19 -20.817 -1.091 -5.640 1.00 0.00 C ATOM 282 C PHE A 19 -22.181 -1.555 -5.261 1.00 0.00 C ATOM 283 O PHE A 19 -22.498 -2.719 -5.498 1.00 0.00 O ATOM 284 CB PHE A 19 -19.963 -0.662 -4.435 1.00 0.00 C ATOM 285 CG PHE A 19 -18.540 -1.051 -4.644 1.00 0.00 C ATOM 286 CD1 PHE A 19 -18.226 -2.388 -4.728 1.00 0.00 C ATOM 287 CD2 PHE A 19 -17.496 -0.157 -4.596 1.00 0.00 C ATOM 288 CE1 PHE A 19 -16.974 -2.844 -5.066 1.00 0.00 C ATOM 289 CE2 PHE A 19 -16.242 -0.612 -4.927 1.00 0.00 C ATOM 290 CZ PHE A 19 -15.936 -1.943 -5.085 1.00 0.00 C ATOM 0 H PHE A 19 -20.884 0.953 -5.907 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.367 -1.943 -6.150 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -20.035 0.417 -4.295 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -20.345 -1.128 -3.526 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -18.999 -3.113 -4.519 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -17.657 0.871 -4.307 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -16.810 -3.883 -5.310 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -15.456 0.114 -5.071 1.00 0.00 H new ATOM 0 HZ PHE A 19 -14.915 -2.269 -5.219 1.00 0.00 H new ATOM 300 N ASP A 20 -23.023 -0.751 -4.587 1.00 0.00 N ATOM 301 CA ASP A 20 -24.418 -1.035 -4.449 1.00 0.00 C ATOM 302 C ASP A 20 -25.107 -1.268 -5.750 1.00 0.00 C ATOM 303 O ASP A 20 -25.160 -0.375 -6.594 1.00 0.00 O ATOM 304 CB ASP A 20 -25.103 0.061 -3.616 1.00 0.00 C ATOM 305 CG ASP A 20 -26.474 -0.273 -3.044 1.00 0.00 C ATOM 306 OD1 ASP A 20 -26.950 -1.390 -3.381 1.00 0.00 O ATOM 307 OD2 ASP A 20 -27.061 0.570 -2.314 1.00 0.00 O ATOM 0 H ASP A 20 -22.730 0.112 -4.129 1.00 0.00 H new ATOM 0 HA ASP A 20 -24.503 -1.981 -3.913 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -24.443 0.322 -2.789 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -25.201 0.950 -4.238 1.00 0.00 H new ATOM 312 N LYS A 21 -25.617 -2.491 -5.979 1.00 0.00 N ATOM 313 CA LYS A 21 -26.236 -2.853 -7.217 1.00 0.00 C ATOM 314 C LYS A 21 -27.670 -2.451 -7.254 1.00 0.00 C ATOM 315 O LYS A 21 -28.047 -1.611 -8.069 1.00 0.00 O ATOM 316 CB LYS A 21 -26.101 -4.376 -7.383 1.00 0.00 C ATOM 317 CG LYS A 21 -26.742 -4.959 -8.643 1.00 0.00 C ATOM 318 CD LYS A 21 -26.276 -4.294 -9.940 1.00 0.00 C ATOM 319 CE LYS A 21 -27.084 -4.586 -11.206 1.00 0.00 C ATOM 320 NZ LYS A 21 -26.696 -3.743 -12.359 1.00 0.00 N ATOM 0 H LYS A 21 -25.599 -3.244 -5.291 1.00 0.00 H new ATOM 0 HA LYS A 21 -25.742 -2.330 -8.036 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -25.041 -4.632 -7.384 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -26.545 -4.860 -6.513 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -26.519 -6.025 -8.692 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -27.825 -4.863 -8.566 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -26.272 -3.215 -9.784 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -25.244 -4.594 -10.121 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -26.959 -5.635 -11.474 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -28.143 -4.435 -10.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -27.281 -3.991 -13.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -26.841 -2.741 -12.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -25.694 -3.904 -12.585 1.00 0.00 H new ATOM 334 N ASP A 22 -28.479 -3.132 -6.423 1.00 0.00 N ATOM 335 CA ASP A 22 -29.885 -2.994 -6.197 1.00 0.00 C ATOM 336 C ASP A 22 -30.312 -1.606 -5.866 1.00 0.00 C ATOM 337 O ASP A 22 -31.429 -1.270 -6.254 1.00 0.00 O ATOM 338 CB ASP A 22 -30.415 -4.029 -5.190 1.00 0.00 C ATOM 339 CG ASP A 22 -29.655 -4.407 -3.927 1.00 0.00 C ATOM 340 OD1 ASP A 22 -28.441 -4.113 -3.759 1.00 0.00 O ATOM 341 OD2 ASP A 22 -30.212 -5.130 -3.060 1.00 0.00 O ATOM 0 H ASP A 22 -28.094 -3.873 -5.837 1.00 0.00 H new ATOM 0 HA ASP A 22 -30.354 -3.211 -7.157 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -31.396 -3.678 -4.870 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -30.573 -4.953 -5.747 1.00 0.00 H new ATOM 346 N GLY A 23 -29.461 -0.902 -5.097 1.00 0.00 N ATOM 347 CA GLY A 23 -29.779 0.437 -4.711 1.00 0.00 C ATOM 348 C GLY A 23 -30.618 0.438 -3.480 1.00 0.00 C ATOM 349 O GLY A 23 -31.603 1.165 -3.362 1.00 0.00 O ATOM 0 H GLY A 23 -28.569 -1.252 -4.748 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -28.862 0.999 -4.534 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -30.309 0.939 -5.520 1.00 0.00 H new ATOM 353 N ASP A 24 -30.117 -0.233 -2.427 1.00 0.00 N ATOM 354 CA ASP A 24 -30.782 -0.344 -1.166 1.00 0.00 C ATOM 355 C ASP A 24 -30.173 0.529 -0.124 1.00 0.00 C ATOM 356 O ASP A 24 -30.881 0.903 0.810 1.00 0.00 O ATOM 357 CB ASP A 24 -30.912 -1.797 -0.681 1.00 0.00 C ATOM 358 CG ASP A 24 -29.692 -2.466 -0.062 1.00 0.00 C ATOM 359 OD1 ASP A 24 -28.621 -2.378 -0.719 1.00 0.00 O ATOM 360 OD2 ASP A 24 -29.728 -3.138 1.003 1.00 0.00 O ATOM 0 H ASP A 24 -29.218 -0.715 -2.455 1.00 0.00 H new ATOM 0 HA ASP A 24 -31.796 0.018 -1.337 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -31.717 -1.831 0.053 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -31.228 -2.403 -1.530 1.00 0.00 H new ATOM 365 N GLY A 25 -28.896 0.901 -0.329 1.00 0.00 N ATOM 366 CA GLY A 25 -28.218 1.905 0.429 1.00 0.00 C ATOM 367 C GLY A 25 -26.962 1.367 1.024 1.00 0.00 C ATOM 368 O GLY A 25 -26.228 2.220 1.522 1.00 0.00 O ATOM 0 H GLY A 25 -28.312 0.484 -1.054 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -27.986 2.755 -0.212 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -28.872 2.272 1.220 1.00 0.00 H new ATOM 372 N THR A 26 -26.639 0.063 0.956 1.00 0.00 N ATOM 373 CA THR A 26 -25.539 -0.603 1.580 1.00 0.00 C ATOM 374 C THR A 26 -24.921 -1.601 0.662 1.00 0.00 C ATOM 375 O THR A 26 -25.486 -1.886 -0.393 1.00 0.00 O ATOM 376 CB THR A 26 -25.606 -1.202 2.954 1.00 0.00 C ATOM 377 OG1 THR A 26 -26.509 -2.292 3.068 1.00 0.00 O ATOM 378 CG2 THR A 26 -25.963 -0.178 4.045 1.00 0.00 C ATOM 0 H THR A 26 -27.206 -0.586 0.410 1.00 0.00 H new ATOM 0 HA THR A 26 -24.947 0.290 1.783 1.00 0.00 H new ATOM 0 HB THR A 26 -24.591 -1.568 3.110 1.00 0.00 H new ATOM 0 HG1 THR A 26 -26.985 -2.234 3.922 1.00 0.00 H new ATOM 0 HG21 THR A 26 -25.995 -0.675 5.014 1.00 0.00 H new ATOM 0 HG22 THR A 26 -25.209 0.609 4.066 1.00 0.00 H new ATOM 0 HG23 THR A 26 -26.938 0.259 3.829 1.00 0.00 H new ATOM 386 N ILE A 27 -23.690 -2.071 0.932 1.00 0.00 N ATOM 387 CA ILE A 27 -22.936 -2.948 0.091 1.00 0.00 C ATOM 388 C ILE A 27 -22.857 -4.221 0.861 1.00 0.00 C ATOM 389 O ILE A 27 -22.349 -4.250 1.981 1.00 0.00 O ATOM 390 CB ILE A 27 -21.536 -2.509 -0.223 1.00 0.00 C ATOM 391 CG1 ILE A 27 -21.403 -0.977 -0.220 1.00 0.00 C ATOM 392 CG2 ILE A 27 -21.315 -3.236 -1.560 1.00 0.00 C ATOM 393 CD1 ILE A 27 -19.994 -0.487 -0.552 1.00 0.00 C ATOM 0 H ILE A 27 -23.193 -1.824 1.788 1.00 0.00 H new ATOM 0 HA ILE A 27 -23.432 -3.004 -0.878 1.00 0.00 H new ATOM 0 HB ILE A 27 -20.762 -2.763 0.501 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -22.104 -0.558 -0.942 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -21.690 -0.597 0.761 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -20.315 -3.015 -1.934 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -21.417 -4.311 -1.411 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -22.056 -2.898 -2.285 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -19.974 0.603 -0.532 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -19.290 -0.877 0.184 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -19.712 -0.837 -1.545 1.00 0.00 H new ATOM 405 N THR A 28 -23.190 -5.368 0.243 1.00 0.00 N ATOM 406 CA THR A 28 -22.963 -6.685 0.752 1.00 0.00 C ATOM 407 C THR A 28 -21.632 -7.231 0.364 1.00 0.00 C ATOM 408 O THR A 28 -20.963 -6.706 -0.524 1.00 0.00 O ATOM 409 CB THR A 28 -24.147 -7.576 0.517 1.00 0.00 C ATOM 410 OG1 THR A 28 -24.310 -7.750 -0.883 1.00 0.00 O ATOM 411 CG2 THR A 28 -25.347 -6.879 1.179 1.00 0.00 C ATOM 0 H THR A 28 -23.646 -5.375 -0.669 1.00 0.00 H new ATOM 0 HA THR A 28 -22.886 -6.630 1.838 1.00 0.00 H new ATOM 0 HB THR A 28 -24.033 -8.571 0.946 1.00 0.00 H new ATOM 0 HG1 THR A 28 -25.080 -8.332 -1.053 1.00 0.00 H new ATOM 0 HG21 THR A 28 -26.242 -7.485 1.039 1.00 0.00 H new ATOM 0 HG22 THR A 28 -25.154 -6.757 2.245 1.00 0.00 H new ATOM 0 HG23 THR A 28 -25.497 -5.900 0.723 1.00 0.00 H new ATOM 419 N THR A 29 -21.232 -8.329 1.030 1.00 0.00 N ATOM 420 CA THR A 29 -19.990 -9.005 0.815 1.00 0.00 C ATOM 421 C THR A 29 -19.888 -9.563 -0.563 1.00 0.00 C ATOM 422 O THR A 29 -18.818 -9.651 -1.163 1.00 0.00 O ATOM 423 CB THR A 29 -19.640 -10.032 1.851 1.00 0.00 C ATOM 424 OG1 THR A 29 -20.177 -9.615 3.098 1.00 0.00 O ATOM 425 CG2 THR A 29 -18.113 -10.143 1.994 1.00 0.00 C ATOM 0 H THR A 29 -21.803 -8.766 1.754 1.00 0.00 H new ATOM 0 HA THR A 29 -19.237 -8.225 0.926 1.00 0.00 H new ATOM 0 HB THR A 29 -20.047 -10.998 1.552 1.00 0.00 H new ATOM 0 HG1 THR A 29 -19.958 -10.277 3.786 1.00 0.00 H new ATOM 0 HG21 THR A 29 -17.872 -10.891 2.749 1.00 0.00 H new ATOM 0 HG22 THR A 29 -17.679 -10.438 1.039 1.00 0.00 H new ATOM 0 HG23 THR A 29 -17.705 -9.179 2.296 1.00 0.00 H new ATOM 433 N LYS A 30 -21.031 -9.894 -1.188 1.00 0.00 N ATOM 434 CA LYS A 30 -21.150 -10.494 -2.481 1.00 0.00 C ATOM 435 C LYS A 30 -21.243 -9.449 -3.538 1.00 0.00 C ATOM 436 O LYS A 30 -20.614 -9.533 -4.592 1.00 0.00 O ATOM 437 CB LYS A 30 -22.294 -11.520 -2.423 1.00 0.00 C ATOM 438 CG LYS A 30 -23.742 -11.036 -2.525 1.00 0.00 C ATOM 439 CD LYS A 30 -24.803 -12.123 -2.342 1.00 0.00 C ATOM 440 CE LYS A 30 -26.197 -11.507 -2.212 1.00 0.00 C ATOM 441 NZ LYS A 30 -27.242 -12.498 -1.872 1.00 0.00 N ATOM 0 H LYS A 30 -21.940 -9.729 -0.756 1.00 0.00 H new ATOM 0 HA LYS A 30 -20.259 -11.053 -2.767 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -22.131 -12.237 -3.227 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -22.197 -12.066 -1.485 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -23.904 -10.262 -1.775 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -23.885 -10.570 -3.500 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -24.780 -12.806 -3.191 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -24.577 -12.712 -1.453 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -26.175 -10.733 -1.444 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -26.460 -11.018 -3.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -28.163 -12.020 -1.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -27.287 -13.224 -2.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -27.011 -12.948 -0.963 1.00 0.00 H new ATOM 455 N GLU A 31 -21.890 -8.296 -3.291 1.00 0.00 N ATOM 456 CA GLU A 31 -21.785 -7.158 -4.150 1.00 0.00 C ATOM 457 C GLU A 31 -20.416 -6.576 -4.243 1.00 0.00 C ATOM 458 O GLU A 31 -20.033 -6.215 -5.355 1.00 0.00 O ATOM 459 CB GLU A 31 -22.673 -5.998 -3.670 1.00 0.00 C ATOM 460 CG GLU A 31 -24.183 -6.246 -3.709 1.00 0.00 C ATOM 461 CD GLU A 31 -24.929 -5.079 -3.080 1.00 0.00 C ATOM 462 OE1 GLU A 31 -25.111 -4.948 -1.840 1.00 0.00 O ATOM 463 OE2 GLU A 31 -25.520 -4.253 -3.826 1.00 0.00 O ATOM 0 H GLU A 31 -22.495 -8.152 -2.483 1.00 0.00 H new ATOM 0 HA GLU A 31 -22.090 -7.555 -5.118 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.392 -5.752 -2.646 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -22.453 -5.122 -4.280 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -24.509 -6.381 -4.740 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -24.420 -7.167 -3.177 1.00 0.00 H new ATOM 470 N LEU A 32 -19.713 -6.398 -3.111 1.00 0.00 N ATOM 471 CA LEU A 32 -18.348 -5.998 -2.970 1.00 0.00 C ATOM 472 C LEU A 32 -17.525 -6.922 -3.800 1.00 0.00 C ATOM 473 O LEU A 32 -16.780 -6.516 -4.691 1.00 0.00 O ATOM 474 CB LEU A 32 -17.805 -6.129 -1.536 1.00 0.00 C ATOM 475 CG LEU A 32 -18.139 -4.934 -0.626 1.00 0.00 C ATOM 476 CD1 LEU A 32 -17.541 -5.110 0.780 1.00 0.00 C ATOM 477 CD2 LEU A 32 -17.544 -3.648 -1.223 1.00 0.00 C ATOM 0 H LEU A 32 -20.149 -6.551 -2.202 1.00 0.00 H new ATOM 0 HA LEU A 32 -18.295 -4.950 -3.264 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -18.208 -7.037 -1.088 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -16.722 -6.248 -1.578 1.00 0.00 H new ATOM 0 HG LEU A 32 -19.225 -4.874 -0.554 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -17.797 -4.247 1.395 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -17.945 -6.014 1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.457 -5.194 0.706 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -17.782 -2.803 -0.577 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.462 -3.751 -1.303 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -17.966 -3.477 -2.213 1.00 0.00 H new ATOM 489 N GLY A 33 -17.512 -8.236 -3.515 1.00 0.00 N ATOM 490 CA GLY A 33 -16.716 -9.256 -4.124 1.00 0.00 C ATOM 491 C GLY A 33 -16.990 -9.424 -5.579 1.00 0.00 C ATOM 492 O GLY A 33 -15.984 -9.514 -6.281 1.00 0.00 O ATOM 0 H GLY A 33 -18.117 -8.618 -2.789 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.662 -9.017 -3.985 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.898 -10.202 -3.615 1.00 0.00 H new ATOM 496 N THR A 34 -18.251 -9.317 -6.034 1.00 0.00 N ATOM 497 CA THR A 34 -18.596 -9.293 -7.422 1.00 0.00 C ATOM 498 C THR A 34 -17.994 -8.168 -8.192 1.00 0.00 C ATOM 499 O THR A 34 -17.567 -8.372 -9.327 1.00 0.00 O ATOM 500 CB THR A 34 -20.067 -9.402 -7.692 1.00 0.00 C ATOM 501 OG1 THR A 34 -20.544 -10.678 -7.288 1.00 0.00 O ATOM 502 CG2 THR A 34 -20.488 -9.269 -9.166 1.00 0.00 C ATOM 0 H THR A 34 -19.058 -9.245 -5.415 1.00 0.00 H new ATOM 0 HA THR A 34 -18.135 -10.206 -7.798 1.00 0.00 H new ATOM 0 HB THR A 34 -20.488 -8.566 -7.133 1.00 0.00 H new ATOM 0 HG1 THR A 34 -20.700 -10.678 -6.320 1.00 0.00 H new ATOM 0 HG21 THR A 34 -21.571 -9.363 -9.245 1.00 0.00 H new ATOM 0 HG22 THR A 34 -20.180 -8.295 -9.546 1.00 0.00 H new ATOM 0 HG23 THR A 34 -20.012 -10.054 -9.753 1.00 0.00 H new ATOM 510 N VAL A 35 -17.984 -6.918 -7.694 1.00 0.00 N ATOM 511 CA VAL A 35 -17.461 -5.763 -8.355 1.00 0.00 C ATOM 512 C VAL A 35 -15.975 -5.763 -8.248 1.00 0.00 C ATOM 513 O VAL A 35 -15.265 -5.420 -9.192 1.00 0.00 O ATOM 514 CB VAL A 35 -18.276 -4.545 -8.032 1.00 0.00 C ATOM 515 CG1 VAL A 35 -17.690 -3.290 -8.700 1.00 0.00 C ATOM 516 CG2 VAL A 35 -19.646 -4.800 -8.684 1.00 0.00 C ATOM 0 H VAL A 35 -18.365 -6.702 -6.773 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.589 -5.769 -9.437 1.00 0.00 H new ATOM 0 HB VAL A 35 -18.310 -4.383 -6.955 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -18.302 -2.424 -8.448 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -16.672 -3.131 -8.345 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -17.680 -3.424 -9.782 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -20.303 -3.952 -8.493 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -19.519 -4.926 -9.759 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -20.087 -5.703 -8.262 1.00 0.00 H new ATOM 526 N MET A 36 -15.362 -6.076 -7.092 1.00 0.00 N ATOM 527 CA MET A 36 -13.973 -6.418 -7.079 1.00 0.00 C ATOM 528 C MET A 36 -13.494 -7.357 -8.132 1.00 0.00 C ATOM 529 O MET A 36 -12.472 -7.169 -8.789 1.00 0.00 O ATOM 530 CB MET A 36 -13.540 -6.833 -5.663 1.00 0.00 C ATOM 531 CG MET A 36 -13.616 -5.708 -4.629 1.00 0.00 C ATOM 532 SD MET A 36 -13.533 -6.253 -2.897 1.00 0.00 S ATOM 533 CE MET A 36 -13.674 -4.700 -1.967 1.00 0.00 C ATOM 0 H MET A 36 -15.819 -6.093 -6.180 1.00 0.00 H new ATOM 0 HA MET A 36 -13.461 -5.499 -7.364 1.00 0.00 H new ATOM 0 HB2 MET A 36 -14.168 -7.660 -5.331 1.00 0.00 H new ATOM 0 HB3 MET A 36 -12.517 -7.206 -5.703 1.00 0.00 H new ATOM 0 HG2 MET A 36 -12.801 -5.009 -4.814 1.00 0.00 H new ATOM 0 HG3 MET A 36 -14.546 -5.160 -4.778 1.00 0.00 H new ATOM 0 HE1 MET A 36 -13.955 -4.917 -0.936 1.00 0.00 H new ATOM 0 HE2 MET A 36 -12.716 -4.180 -1.980 1.00 0.00 H new ATOM 0 HE3 MET A 36 -14.436 -4.069 -2.425 1.00 0.00 H new ATOM 543 N ARG A 37 -14.257 -8.440 -8.366 1.00 0.00 N ATOM 544 CA ARG A 37 -13.995 -9.309 -9.471 1.00 0.00 C ATOM 545 C ARG A 37 -14.000 -8.648 -10.806 1.00 0.00 C ATOM 546 O ARG A 37 -13.014 -8.829 -11.518 1.00 0.00 O ATOM 547 CB ARG A 37 -15.022 -10.453 -9.501 1.00 0.00 C ATOM 548 CG ARG A 37 -14.370 -11.836 -9.560 1.00 0.00 C ATOM 549 CD ARG A 37 -13.983 -12.360 -8.176 1.00 0.00 C ATOM 550 NE ARG A 37 -13.111 -13.559 -8.328 1.00 0.00 N ATOM 551 CZ ARG A 37 -12.679 -14.195 -7.200 1.00 0.00 C ATOM 552 NH1 ARG A 37 -13.287 -14.056 -5.985 1.00 0.00 N ATOM 553 NH2 ARG A 37 -11.663 -15.103 -7.270 1.00 0.00 N ATOM 0 H ARG A 37 -15.054 -8.713 -7.791 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.982 -9.674 -9.302 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -15.653 -10.392 -8.614 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -15.674 -10.327 -10.365 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -15.057 -12.538 -10.032 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -13.481 -11.789 -10.189 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.461 -11.585 -7.614 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -14.878 -12.617 -7.609 1.00 0.00 H new ATOM 0 HE ARG A 37 -12.843 -13.896 -9.253 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -14.105 -13.454 -5.890 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -12.923 -14.554 -5.173 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -11.224 -15.309 -8.167 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -11.343 -15.576 -6.425 1.00 0.00 H new ATOM 567 N SER A 38 -15.033 -7.871 -11.179 1.00 0.00 N ATOM 568 CA SER A 38 -15.167 -7.016 -12.318 1.00 0.00 C ATOM 569 C SER A 38 -14.172 -5.917 -12.463 1.00 0.00 C ATOM 570 O SER A 38 -13.917 -5.446 -13.570 1.00 0.00 O ATOM 571 CB SER A 38 -16.559 -6.374 -12.447 1.00 0.00 C ATOM 572 OG SER A 38 -17.446 -7.477 -12.553 1.00 0.00 O ATOM 0 H SER A 38 -15.877 -7.842 -10.608 1.00 0.00 H new ATOM 0 HA SER A 38 -14.982 -7.737 -13.114 1.00 0.00 H new ATOM 0 HB2 SER A 38 -16.794 -5.757 -11.580 1.00 0.00 H new ATOM 0 HB3 SER A 38 -16.620 -5.729 -13.324 1.00 0.00 H new ATOM 0 HG SER A 38 -18.366 -7.150 -12.638 1.00 0.00 H new ATOM 578 N LEU A 39 -13.432 -5.558 -11.399 1.00 0.00 N ATOM 579 CA LEU A 39 -12.299 -4.686 -11.403 1.00 0.00 C ATOM 580 C LEU A 39 -10.985 -5.378 -11.522 1.00 0.00 C ATOM 581 O LEU A 39 -9.905 -4.806 -11.663 1.00 0.00 O ATOM 582 CB LEU A 39 -12.228 -3.827 -10.130 1.00 0.00 C ATOM 583 CG LEU A 39 -13.218 -2.650 -10.140 1.00 0.00 C ATOM 584 CD1 LEU A 39 -13.345 -1.999 -8.752 1.00 0.00 C ATOM 585 CD2 LEU A 39 -12.738 -1.626 -11.182 1.00 0.00 C ATOM 0 H LEU A 39 -13.644 -5.905 -10.464 1.00 0.00 H new ATOM 0 HA LEU A 39 -12.460 -4.076 -12.292 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -12.429 -4.456 -9.263 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -11.215 -3.441 -10.015 1.00 0.00 H new ATOM 0 HG LEU A 39 -14.210 -3.018 -10.403 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -14.053 -1.172 -8.801 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -13.700 -2.739 -8.034 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -12.372 -1.624 -8.435 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -13.427 -0.781 -11.206 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.742 -1.274 -10.914 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -12.705 -2.095 -12.165 1.00 0.00 H new ATOM 597 N GLY A 40 -10.993 -6.720 -11.622 1.00 0.00 N ATOM 598 CA GLY A 40 -9.830 -7.510 -11.884 1.00 0.00 C ATOM 599 C GLY A 40 -9.111 -7.871 -10.630 1.00 0.00 C ATOM 600 O GLY A 40 -7.898 -8.074 -10.623 1.00 0.00 O ATOM 0 H GLY A 40 -11.842 -7.275 -11.516 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.120 -8.419 -12.411 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.158 -6.960 -12.543 1.00 0.00 H new ATOM 604 N GLN A 41 -9.782 -7.901 -9.465 1.00 0.00 N ATOM 605 CA GLN A 41 -9.245 -8.369 -8.225 1.00 0.00 C ATOM 606 C GLN A 41 -9.809 -9.723 -7.963 1.00 0.00 C ATOM 607 O GLN A 41 -10.796 -10.007 -8.641 1.00 0.00 O ATOM 608 CB GLN A 41 -9.510 -7.339 -7.114 1.00 0.00 C ATOM 609 CG GLN A 41 -8.920 -5.982 -7.506 1.00 0.00 C ATOM 610 CD GLN A 41 -8.984 -4.889 -6.450 1.00 0.00 C ATOM 611 OE1 GLN A 41 -9.928 -4.100 -6.425 1.00 0.00 O ATOM 612 NE2 GLN A 41 -7.940 -4.797 -5.583 1.00 0.00 N ATOM 0 H GLN A 41 -10.748 -7.583 -9.384 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.161 -8.472 -8.261 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.582 -7.243 -6.944 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.068 -7.680 -6.178 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.876 -6.130 -7.783 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.439 -5.628 -8.397 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.175 -5.469 -5.633 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.923 -4.056 -4.882 1.00 0.00 H new ATOM 621 N ASN A 42 -9.212 -10.516 -7.055 1.00 0.00 N ATOM 622 CA ASN A 42 -9.658 -11.841 -6.751 1.00 0.00 C ATOM 623 C ASN A 42 -9.630 -11.869 -5.261 1.00 0.00 C ATOM 624 O ASN A 42 -8.713 -12.409 -4.645 1.00 0.00 O ATOM 625 CB ASN A 42 -8.715 -12.936 -7.278 1.00 0.00 C ATOM 626 CG ASN A 42 -9.024 -13.235 -8.738 1.00 0.00 C ATOM 627 OD1 ASN A 42 -10.031 -13.871 -9.044 1.00 0.00 O ATOM 628 ND2 ASN A 42 -8.243 -12.597 -9.650 1.00 0.00 N ATOM 0 H ASN A 42 -8.395 -10.227 -6.516 1.00 0.00 H new ATOM 0 HA ASN A 42 -10.627 -12.042 -7.208 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.679 -12.614 -7.176 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.827 -13.841 -6.682 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.483 -12.633 -10.641 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.417 -12.083 -9.343 1.00 0.00 H new ATOM 635 N PRO A 43 -10.533 -11.257 -4.554 1.00 0.00 N ATOM 636 CA PRO A 43 -10.725 -11.431 -3.143 1.00 0.00 C ATOM 637 C PRO A 43 -11.288 -12.764 -2.791 1.00 0.00 C ATOM 638 O PRO A 43 -11.590 -13.525 -3.709 1.00 0.00 O ATOM 639 CB PRO A 43 -11.663 -10.302 -2.720 1.00 0.00 C ATOM 640 CG PRO A 43 -12.543 -10.068 -3.958 1.00 0.00 C ATOM 641 CD PRO A 43 -11.608 -10.453 -5.116 1.00 0.00 C ATOM 0 HA PRO A 43 -9.770 -11.392 -2.620 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -12.260 -10.583 -1.853 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -11.109 -9.403 -2.448 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -13.440 -10.687 -3.940 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -12.872 -9.031 -4.031 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -12.150 -11.014 -5.877 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -11.209 -9.562 -5.600 1.00 0.00 H new ATOM 649 N THR A 44 -11.454 -13.030 -1.483 1.00 0.00 N ATOM 650 CA THR A 44 -12.368 -14.024 -1.013 1.00 0.00 C ATOM 651 C THR A 44 -13.294 -13.419 -0.015 1.00 0.00 C ATOM 652 O THR A 44 -12.951 -12.436 0.640 1.00 0.00 O ATOM 653 CB THR A 44 -11.797 -15.288 -0.442 1.00 0.00 C ATOM 654 OG1 THR A 44 -11.124 -15.178 0.804 1.00 0.00 O ATOM 655 CG2 THR A 44 -10.842 -15.931 -1.462 1.00 0.00 C ATOM 0 H THR A 44 -10.946 -12.548 -0.741 1.00 0.00 H new ATOM 0 HA THR A 44 -12.871 -14.350 -1.924 1.00 0.00 H new ATOM 0 HB THR A 44 -12.673 -15.904 -0.238 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.166 -15.047 0.648 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.428 -16.849 -1.045 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.388 -16.162 -2.377 1.00 0.00 H new ATOM 0 HG23 THR A 44 -10.032 -15.238 -1.689 1.00 0.00 H new ATOM 663 N GLU A 45 -14.366 -14.213 0.160 1.00 0.00 N ATOM 664 CA GLU A 45 -15.505 -14.058 1.010 1.00 0.00 C ATOM 665 C GLU A 45 -15.173 -13.840 2.447 1.00 0.00 C ATOM 666 O GLU A 45 -15.612 -12.897 3.103 1.00 0.00 O ATOM 667 CB GLU A 45 -16.308 -15.367 0.924 1.00 0.00 C ATOM 668 CG GLU A 45 -16.944 -15.603 -0.448 1.00 0.00 C ATOM 669 CD GLU A 45 -15.976 -16.294 -1.398 1.00 0.00 C ATOM 670 OE1 GLU A 45 -15.200 -17.224 -1.051 1.00 0.00 O ATOM 671 OE2 GLU A 45 -15.889 -15.788 -2.549 1.00 0.00 O ATOM 0 H GLU A 45 -14.438 -15.081 -0.370 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.045 -13.175 0.670 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.650 -16.204 1.160 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.091 -15.354 1.682 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.841 -16.211 -0.335 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.257 -14.650 -0.875 1.00 0.00 H new ATOM 678 N ALA A 46 -14.423 -14.815 2.991 1.00 0.00 N ATOM 679 CA ALA A 46 -14.123 -14.755 4.388 1.00 0.00 C ATOM 680 C ALA A 46 -13.066 -13.753 4.701 1.00 0.00 C ATOM 681 O ALA A 46 -13.138 -13.059 5.715 1.00 0.00 O ATOM 682 CB ALA A 46 -13.605 -16.093 4.942 1.00 0.00 C ATOM 0 H ALA A 46 -14.038 -15.615 2.488 1.00 0.00 H new ATOM 0 HA ALA A 46 -15.072 -14.483 4.849 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.394 -15.989 6.006 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.361 -16.864 4.796 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.693 -16.375 4.417 1.00 0.00 H new ATOM 688 N GLU A 47 -12.083 -13.567 3.803 1.00 0.00 N ATOM 689 CA GLU A 47 -11.288 -12.383 3.896 1.00 0.00 C ATOM 690 C GLU A 47 -11.979 -11.076 3.708 1.00 0.00 C ATOM 691 O GLU A 47 -11.596 -10.130 4.395 1.00 0.00 O ATOM 692 CB GLU A 47 -10.210 -12.461 2.801 1.00 0.00 C ATOM 693 CG GLU A 47 -9.078 -13.446 3.099 1.00 0.00 C ATOM 694 CD GLU A 47 -8.166 -13.686 1.905 1.00 0.00 C ATOM 695 OE1 GLU A 47 -8.664 -14.234 0.886 1.00 0.00 O ATOM 696 OE2 GLU A 47 -6.967 -13.304 1.968 1.00 0.00 O ATOM 0 H GLU A 47 -11.845 -14.205 3.044 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.925 -12.381 4.924 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.684 -12.744 1.861 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.783 -11.468 2.657 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.485 -13.067 3.931 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.506 -14.396 3.419 1.00 0.00 H new ATOM 703 N LEU A 48 -13.008 -10.943 2.853 1.00 0.00 N ATOM 704 CA LEU A 48 -13.804 -9.756 2.820 1.00 0.00 C ATOM 705 C LEU A 48 -14.634 -9.535 4.037 1.00 0.00 C ATOM 706 O LEU A 48 -14.878 -8.421 4.497 1.00 0.00 O ATOM 707 CB LEU A 48 -14.699 -9.636 1.575 1.00 0.00 C ATOM 708 CG LEU A 48 -13.960 -9.067 0.352 1.00 0.00 C ATOM 709 CD1 LEU A 48 -14.761 -9.516 -0.882 1.00 0.00 C ATOM 710 CD2 LEU A 48 -13.880 -7.552 0.605 1.00 0.00 C ATOM 0 H LEU A 48 -13.289 -11.659 2.183 1.00 0.00 H new ATOM 0 HA LEU A 48 -13.048 -8.972 2.780 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.098 -10.619 1.326 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -15.550 -8.996 1.807 1.00 0.00 H new ATOM 0 HG LEU A 48 -12.941 -9.414 0.183 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -14.280 -9.139 -1.785 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -14.795 -10.605 -0.917 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -15.776 -9.123 -0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -13.364 -7.071 -0.226 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -14.887 -7.144 0.692 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -13.332 -7.366 1.529 1.00 0.00 H new ATOM 722 N GLN A 49 -15.128 -10.658 4.589 1.00 0.00 N ATOM 723 CA GLN A 49 -15.886 -10.645 5.802 1.00 0.00 C ATOM 724 C GLN A 49 -15.128 -10.073 6.950 1.00 0.00 C ATOM 725 O GLN A 49 -15.653 -9.418 7.848 1.00 0.00 O ATOM 726 CB GLN A 49 -16.454 -12.025 6.175 1.00 0.00 C ATOM 727 CG GLN A 49 -17.499 -12.052 7.292 1.00 0.00 C ATOM 728 CD GLN A 49 -18.239 -13.381 7.337 1.00 0.00 C ATOM 729 OE1 GLN A 49 -18.211 -14.143 6.372 1.00 0.00 O ATOM 730 NE2 GLN A 49 -19.023 -13.741 8.388 1.00 0.00 N ATOM 0 H GLN A 49 -15.000 -11.587 4.188 1.00 0.00 H new ATOM 0 HA GLN A 49 -16.730 -9.987 5.594 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -16.898 -12.464 5.282 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -15.624 -12.668 6.468 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -17.012 -11.874 8.251 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -18.213 -11.242 7.142 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -19.079 -13.142 9.211 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -19.555 -14.611 8.353 1.00 0.00 H new ATOM 739 N ASP A 50 -13.817 -10.361 7.034 1.00 0.00 N ATOM 740 CA ASP A 50 -12.876 -9.985 8.043 1.00 0.00 C ATOM 741 C ASP A 50 -12.804 -8.497 8.068 1.00 0.00 C ATOM 742 O ASP A 50 -12.701 -7.881 9.128 1.00 0.00 O ATOM 743 CB ASP A 50 -11.545 -10.602 7.583 1.00 0.00 C ATOM 744 CG ASP A 50 -10.483 -10.642 8.672 1.00 0.00 C ATOM 745 OD1 ASP A 50 -10.749 -11.139 9.799 1.00 0.00 O ATOM 746 OD2 ASP A 50 -9.321 -10.225 8.416 1.00 0.00 O ATOM 0 H ASP A 50 -13.369 -10.922 6.310 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.136 -10.324 9.046 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.728 -11.616 7.228 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.163 -10.032 6.736 1.00 0.00 H new ATOM 751 N MET A 51 -12.744 -7.866 6.882 1.00 0.00 N ATOM 752 CA MET A 51 -12.722 -6.441 6.757 1.00 0.00 C ATOM 753 C MET A 51 -13.927 -5.847 7.402 1.00 0.00 C ATOM 754 O MET A 51 -13.771 -4.907 8.180 1.00 0.00 O ATOM 755 CB MET A 51 -12.583 -5.940 5.309 1.00 0.00 C ATOM 756 CG MET A 51 -11.210 -6.276 4.725 1.00 0.00 C ATOM 757 SD MET A 51 -11.131 -6.406 2.913 1.00 0.00 S ATOM 758 CE MET A 51 -11.654 -4.757 2.361 1.00 0.00 C ATOM 0 H MET A 51 -12.710 -8.357 5.989 1.00 0.00 H new ATOM 0 HA MET A 51 -11.822 -6.107 7.273 1.00 0.00 H new ATOM 0 HB2 MET A 51 -13.361 -6.389 4.692 1.00 0.00 H new ATOM 0 HB3 MET A 51 -12.737 -4.861 5.281 1.00 0.00 H new ATOM 0 HG2 MET A 51 -10.502 -5.512 5.047 1.00 0.00 H new ATOM 0 HG3 MET A 51 -10.875 -7.221 5.153 1.00 0.00 H new ATOM 0 HE1 MET A 51 -11.364 -4.613 1.320 1.00 0.00 H new ATOM 0 HE2 MET A 51 -12.737 -4.670 2.451 1.00 0.00 H new ATOM 0 HE3 MET A 51 -11.176 -3.998 2.980 1.00 0.00 H new ATOM 768 N ILE A 52 -15.168 -6.250 7.077 1.00 0.00 N ATOM 769 CA ILE A 52 -16.435 -5.874 7.621 1.00 0.00 C ATOM 770 C ILE A 52 -16.445 -6.093 9.095 1.00 0.00 C ATOM 771 O ILE A 52 -16.721 -5.201 9.895 1.00 0.00 O ATOM 772 CB ILE A 52 -17.637 -6.555 7.035 1.00 0.00 C ATOM 773 CG1 ILE A 52 -17.586 -6.373 5.509 1.00 0.00 C ATOM 774 CG2 ILE A 52 -18.856 -5.810 7.604 1.00 0.00 C ATOM 775 CD1 ILE A 52 -18.740 -7.146 4.873 1.00 0.00 C ATOM 0 H ILE A 52 -15.294 -6.933 6.330 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.531 -4.821 7.355 1.00 0.00 H new ATOM 0 HB ILE A 52 -17.679 -7.619 7.268 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -17.656 -5.316 5.254 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -16.633 -6.732 5.119 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -19.770 -6.258 7.215 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -18.851 -5.882 8.692 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -18.812 -4.762 7.309 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -18.709 -7.021 3.791 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -18.648 -8.204 5.119 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -19.687 -6.766 5.255 1.00 0.00 H new ATOM 787 N ASN A 53 -16.148 -7.284 9.644 1.00 0.00 N ATOM 788 CA ASN A 53 -16.066 -7.587 11.039 1.00 0.00 C ATOM 789 C ASN A 53 -15.146 -6.776 11.885 1.00 0.00 C ATOM 790 O ASN A 53 -15.420 -6.591 13.070 1.00 0.00 O ATOM 791 CB ASN A 53 -15.901 -9.078 11.379 1.00 0.00 C ATOM 792 CG ASN A 53 -16.770 -9.518 12.549 1.00 0.00 C ATOM 793 OD1 ASN A 53 -17.996 -9.616 12.527 1.00 0.00 O ATOM 794 ND2 ASN A 53 -16.096 -9.817 13.692 1.00 0.00 N ATOM 0 H ASN A 53 -15.950 -8.100 9.064 1.00 0.00 H new ATOM 0 HA ASN A 53 -17.069 -7.267 11.320 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -16.151 -9.675 10.502 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -14.856 -9.279 11.614 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -16.607 -10.119 14.521 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.079 -9.739 13.720 1.00 0.00 H new ATOM 801 N GLU A 54 -14.150 -6.121 11.261 1.00 0.00 N ATOM 802 CA GLU A 54 -13.342 -5.162 11.949 1.00 0.00 C ATOM 803 C GLU A 54 -13.962 -3.816 12.106 1.00 0.00 C ATOM 804 O GLU A 54 -14.031 -3.296 13.218 1.00 0.00 O ATOM 805 CB GLU A 54 -11.910 -5.087 11.394 1.00 0.00 C ATOM 806 CG GLU A 54 -10.828 -4.489 12.295 1.00 0.00 C ATOM 807 CD GLU A 54 -9.570 -4.273 11.467 1.00 0.00 C ATOM 808 OE1 GLU A 54 -9.036 -5.227 10.840 1.00 0.00 O ATOM 809 OE2 GLU A 54 -9.052 -3.126 11.531 1.00 0.00 O ATOM 0 H GLU A 54 -13.904 -6.256 10.280 1.00 0.00 H new ATOM 0 HA GLU A 54 -13.274 -5.550 12.965 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.601 -6.097 11.125 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.938 -4.506 10.472 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.169 -3.544 12.719 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.620 -5.157 13.131 1.00 0.00 H new ATOM 816 N VAL A 55 -14.537 -3.270 11.019 1.00 0.00 N ATOM 817 CA VAL A 55 -14.880 -1.882 10.975 1.00 0.00 C ATOM 818 C VAL A 55 -16.249 -1.552 11.462 1.00 0.00 C ATOM 819 O VAL A 55 -16.573 -0.496 12.004 1.00 0.00 O ATOM 820 CB VAL A 55 -14.667 -1.474 9.548 1.00 0.00 C ATOM 821 CG1 VAL A 55 -15.710 -1.966 8.530 1.00 0.00 C ATOM 822 CG2 VAL A 55 -14.358 0.032 9.601 1.00 0.00 C ATOM 0 H VAL A 55 -14.764 -3.789 10.171 1.00 0.00 H new ATOM 0 HA VAL A 55 -14.252 -1.324 11.670 1.00 0.00 H new ATOM 0 HB VAL A 55 -13.822 -2.002 9.105 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -15.446 -1.606 7.536 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -15.730 -3.056 8.528 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -16.694 -1.585 8.804 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -14.190 0.405 8.591 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -15.200 0.561 10.047 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -13.465 0.199 10.203 1.00 0.00 H new ATOM 832 N ASP A 56 -17.179 -2.507 11.287 1.00 0.00 N ATOM 833 CA ASP A 56 -18.551 -2.441 11.685 1.00 0.00 C ATOM 834 C ASP A 56 -18.863 -2.132 13.109 1.00 0.00 C ATOM 835 O ASP A 56 -18.757 -3.005 13.969 1.00 0.00 O ATOM 836 CB ASP A 56 -19.290 -3.709 11.225 1.00 0.00 C ATOM 837 CG ASP A 56 -20.780 -3.511 10.986 1.00 0.00 C ATOM 838 OD1 ASP A 56 -21.223 -2.612 10.222 1.00 0.00 O ATOM 839 OD2 ASP A 56 -21.586 -4.174 11.692 1.00 0.00 O ATOM 0 H ASP A 56 -16.954 -3.392 10.833 1.00 0.00 H new ATOM 0 HA ASP A 56 -18.914 -1.548 11.176 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.831 -4.070 10.305 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -19.154 -4.488 11.976 1.00 0.00 H new ATOM 844 N ALA A 57 -19.177 -0.861 13.415 1.00 0.00 N ATOM 845 CA ALA A 57 -19.438 -0.226 14.670 1.00 0.00 C ATOM 846 C ALA A 57 -20.922 -0.165 14.790 1.00 0.00 C ATOM 847 O ALA A 57 -21.552 -0.324 15.834 1.00 0.00 O ATOM 848 CB ALA A 57 -18.684 1.111 14.584 1.00 0.00 C ATOM 0 H ALA A 57 -19.259 -0.179 12.661 1.00 0.00 H new ATOM 0 HA ALA A 57 -19.094 -0.723 15.577 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -18.828 1.670 15.509 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -17.621 0.920 14.437 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -19.068 1.692 13.745 1.00 0.00 H new ATOM 854 N ASP A 58 -21.599 0.085 13.655 1.00 0.00 N ATOM 855 CA ASP A 58 -23.024 0.200 13.620 1.00 0.00 C ATOM 856 C ASP A 58 -23.801 -1.055 13.827 1.00 0.00 C ATOM 857 O ASP A 58 -24.856 -1.073 14.460 1.00 0.00 O ATOM 858 CB ASP A 58 -23.421 1.108 12.444 1.00 0.00 C ATOM 859 CG ASP A 58 -22.882 0.641 11.099 1.00 0.00 C ATOM 860 OD1 ASP A 58 -21.676 0.837 10.794 1.00 0.00 O ATOM 861 OD2 ASP A 58 -23.629 -0.065 10.370 1.00 0.00 O ATOM 0 H ASP A 58 -21.150 0.209 12.747 1.00 0.00 H new ATOM 0 HA ASP A 58 -23.352 0.702 14.530 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -24.508 1.163 12.390 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -23.060 2.118 12.639 1.00 0.00 H new ATOM 866 N GLY A 59 -23.280 -2.191 13.331 1.00 0.00 N ATOM 867 CA GLY A 59 -23.752 -3.507 13.631 1.00 0.00 C ATOM 868 C GLY A 59 -24.784 -4.032 12.694 1.00 0.00 C ATOM 869 O GLY A 59 -25.537 -4.877 13.176 1.00 0.00 O ATOM 0 H GLY A 59 -22.489 -2.191 12.687 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -22.903 -4.190 13.633 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -24.164 -3.508 14.640 1.00 0.00 H new ATOM 873 N ASN A 60 -24.839 -3.608 11.418 1.00 0.00 N ATOM 874 CA ASN A 60 -25.679 -4.089 10.366 1.00 0.00 C ATOM 875 C ASN A 60 -24.955 -5.210 9.703 1.00 0.00 C ATOM 876 O ASN A 60 -25.561 -6.084 9.085 1.00 0.00 O ATOM 877 CB ASN A 60 -26.076 -3.019 9.335 1.00 0.00 C ATOM 878 CG ASN A 60 -25.047 -2.163 8.611 1.00 0.00 C ATOM 879 OD1 ASN A 60 -23.847 -2.362 8.795 1.00 0.00 O ATOM 880 ND2 ASN A 60 -25.557 -1.199 7.798 1.00 0.00 N ATOM 0 H ASN A 60 -24.234 -2.853 11.094 1.00 0.00 H new ATOM 0 HA ASN A 60 -26.623 -4.413 10.805 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -26.657 -3.527 8.565 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -26.752 -2.332 9.843 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -24.929 -0.577 7.288 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -26.567 -1.098 7.698 1.00 0.00 H new ATOM 887 N GLY A 61 -23.612 -5.239 9.772 1.00 0.00 N ATOM 888 CA GLY A 61 -22.801 -6.279 9.218 1.00 0.00 C ATOM 889 C GLY A 61 -22.630 -6.096 7.749 1.00 0.00 C ATOM 890 O GLY A 61 -22.290 -7.048 7.048 1.00 0.00 O ATOM 0 H GLY A 61 -23.069 -4.508 10.232 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -21.825 -6.282 9.704 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -23.259 -7.248 9.417 1.00 0.00 H new ATOM 894 N THR A 62 -22.886 -4.883 7.227 1.00 0.00 N ATOM 895 CA THR A 62 -22.792 -4.578 5.834 1.00 0.00 C ATOM 896 C THR A 62 -22.060 -3.280 5.837 1.00 0.00 C ATOM 897 O THR A 62 -21.988 -2.529 6.808 1.00 0.00 O ATOM 898 CB THR A 62 -24.085 -4.474 5.080 1.00 0.00 C ATOM 899 OG1 THR A 62 -25.000 -3.558 5.663 1.00 0.00 O ATOM 900 CG2 THR A 62 -24.771 -5.850 5.106 1.00 0.00 C ATOM 0 H THR A 62 -23.169 -4.086 7.797 1.00 0.00 H new ATOM 0 HA THR A 62 -22.302 -5.394 5.302 1.00 0.00 H new ATOM 0 HB THR A 62 -23.838 -4.130 4.076 1.00 0.00 H new ATOM 0 HG1 THR A 62 -25.513 -3.113 4.956 1.00 0.00 H new ATOM 0 HG21 THR A 62 -25.714 -5.797 4.563 1.00 0.00 H new ATOM 0 HG22 THR A 62 -24.122 -6.589 4.635 1.00 0.00 H new ATOM 0 HG23 THR A 62 -24.963 -6.141 6.139 1.00 0.00 H new ATOM 908 N ILE A 63 -21.536 -2.907 4.655 1.00 0.00 N ATOM 909 CA ILE A 63 -20.744 -1.763 4.328 1.00 0.00 C ATOM 910 C ILE A 63 -21.599 -0.612 3.922 1.00 0.00 C ATOM 911 O ILE A 63 -22.369 -0.599 2.964 1.00 0.00 O ATOM 912 CB ILE A 63 -19.620 -2.146 3.411 1.00 0.00 C ATOM 913 CG1 ILE A 63 -18.614 -2.981 4.222 1.00 0.00 C ATOM 914 CG2 ILE A 63 -18.920 -0.934 2.775 1.00 0.00 C ATOM 915 CD1 ILE A 63 -17.733 -2.219 5.212 1.00 0.00 C ATOM 0 H ILE A 63 -21.690 -3.484 3.828 1.00 0.00 H new ATOM 0 HA ILE A 63 -20.233 -1.381 5.212 1.00 0.00 H new ATOM 0 HB ILE A 63 -20.032 -2.720 2.581 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -19.168 -3.741 4.774 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -17.964 -3.506 3.522 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -18.117 -1.278 2.123 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -19.641 -0.362 2.191 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -18.505 -0.301 3.559 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -17.068 -2.918 5.720 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -17.140 -1.478 4.676 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -18.362 -1.717 5.947 1.00 0.00 H new ATOM 927 N ASP A 64 -21.421 0.522 4.624 1.00 0.00 N ATOM 928 CA ASP A 64 -22.118 1.735 4.329 1.00 0.00 C ATOM 929 C ASP A 64 -21.139 2.850 4.190 1.00 0.00 C ATOM 930 O ASP A 64 -19.971 2.711 4.547 1.00 0.00 O ATOM 931 CB ASP A 64 -23.034 2.063 5.520 1.00 0.00 C ATOM 932 CG ASP A 64 -22.345 2.012 6.876 1.00 0.00 C ATOM 933 OD1 ASP A 64 -21.641 3.002 7.212 1.00 0.00 O ATOM 934 OD2 ASP A 64 -22.644 1.046 7.628 1.00 0.00 O ATOM 0 H ASP A 64 -20.779 0.597 5.413 1.00 0.00 H new ATOM 0 HA ASP A 64 -22.688 1.618 3.407 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -23.454 3.059 5.377 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -23.869 1.363 5.524 1.00 0.00 H new ATOM 939 N PHE A 65 -21.493 3.945 3.494 1.00 0.00 N ATOM 940 CA PHE A 65 -20.683 5.073 3.152 1.00 0.00 C ATOM 941 C PHE A 65 -19.529 5.538 3.972 1.00 0.00 C ATOM 942 O PHE A 65 -18.414 5.593 3.457 1.00 0.00 O ATOM 943 CB PHE A 65 -21.607 6.191 2.640 1.00 0.00 C ATOM 944 CG PHE A 65 -20.864 7.198 1.832 1.00 0.00 C ATOM 945 CD1 PHE A 65 -20.195 6.751 0.716 1.00 0.00 C ATOM 946 CD2 PHE A 65 -20.640 8.490 2.247 1.00 0.00 C ATOM 947 CE1 PHE A 65 -19.459 7.569 -0.108 1.00 0.00 C ATOM 948 CE2 PHE A 65 -19.893 9.321 1.446 1.00 0.00 C ATOM 949 CZ PHE A 65 -19.339 8.887 0.264 1.00 0.00 C ATOM 0 H PHE A 65 -22.443 4.048 3.136 1.00 0.00 H new ATOM 0 HA PHE A 65 -20.027 4.655 2.389 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -22.403 5.756 2.036 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -22.083 6.685 3.487 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -20.251 5.700 0.474 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -21.043 8.845 3.184 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -18.995 7.193 -1.008 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -19.737 10.344 1.754 1.00 0.00 H new ATOM 0 HZ PHE A 65 -18.810 9.582 -0.372 1.00 0.00 H new ATOM 959 N PRO A 66 -19.591 5.953 5.203 1.00 0.00 N ATOM 960 CA PRO A 66 -18.447 6.409 5.937 1.00 0.00 C ATOM 961 C PRO A 66 -17.450 5.338 6.218 1.00 0.00 C ATOM 962 O PRO A 66 -16.238 5.551 6.209 1.00 0.00 O ATOM 963 CB PRO A 66 -18.925 6.893 7.304 1.00 0.00 C ATOM 964 CG PRO A 66 -20.240 6.112 7.450 1.00 0.00 C ATOM 965 CD PRO A 66 -20.793 6.042 6.018 1.00 0.00 C ATOM 0 HA PRO A 66 -17.975 7.178 5.326 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -18.215 6.656 8.096 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -19.081 7.971 7.328 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -20.070 5.117 7.861 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -20.933 6.619 8.121 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -21.440 5.176 5.878 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -21.383 6.924 5.770 1.00 0.00 H new ATOM 973 N GLU A 67 -17.957 4.112 6.440 1.00 0.00 N ATOM 974 CA GLU A 67 -17.252 2.873 6.549 1.00 0.00 C ATOM 975 C GLU A 67 -16.554 2.548 5.273 1.00 0.00 C ATOM 976 O GLU A 67 -15.353 2.282 5.277 1.00 0.00 O ATOM 977 CB GLU A 67 -18.338 1.841 6.895 1.00 0.00 C ATOM 978 CG GLU A 67 -17.886 0.647 7.738 1.00 0.00 C ATOM 979 CD GLU A 67 -19.143 -0.170 7.999 1.00 0.00 C ATOM 980 OE1 GLU A 67 -20.045 -0.383 7.145 1.00 0.00 O ATOM 981 OE2 GLU A 67 -19.410 -0.517 9.180 1.00 0.00 O ATOM 0 H GLU A 67 -18.962 3.978 6.554 1.00 0.00 H new ATOM 0 HA GLU A 67 -16.469 2.897 7.307 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.141 2.352 7.426 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.762 1.463 5.964 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.137 0.056 7.211 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.432 0.977 8.672 1.00 0.00 H new ATOM 988 N PHE A 68 -17.240 2.775 4.138 1.00 0.00 N ATOM 989 CA PHE A 68 -16.667 2.667 2.833 1.00 0.00 C ATOM 990 C PHE A 68 -15.571 3.666 2.679 1.00 0.00 C ATOM 991 O PHE A 68 -14.507 3.357 2.145 1.00 0.00 O ATOM 992 CB PHE A 68 -17.674 2.782 1.676 1.00 0.00 C ATOM 993 CG PHE A 68 -17.057 2.573 0.335 1.00 0.00 C ATOM 994 CD1 PHE A 68 -17.003 1.289 -0.154 1.00 0.00 C ATOM 995 CD2 PHE A 68 -16.769 3.619 -0.509 1.00 0.00 C ATOM 996 CE1 PHE A 68 -16.751 1.054 -1.485 1.00 0.00 C ATOM 997 CE2 PHE A 68 -16.456 3.412 -1.832 1.00 0.00 C ATOM 998 CZ PHE A 68 -16.577 2.132 -2.319 1.00 0.00 C ATOM 0 H PHE A 68 -18.224 3.042 4.129 1.00 0.00 H new ATOM 0 HA PHE A 68 -16.271 1.654 2.762 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -18.469 2.050 1.821 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -18.139 3.767 1.705 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -17.160 0.456 0.515 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -16.789 4.628 -0.124 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -16.691 0.045 -1.866 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -16.128 4.224 -2.464 1.00 0.00 H new ATOM 0 HZ PHE A 68 -16.534 1.969 -3.386 1.00 0.00 H new ATOM 1008 N LEU A 69 -15.685 4.915 3.165 1.00 0.00 N ATOM 1009 CA LEU A 69 -14.711 5.949 3.001 1.00 0.00 C ATOM 1010 C LEU A 69 -13.448 5.651 3.733 1.00 0.00 C ATOM 1011 O LEU A 69 -12.346 5.741 3.195 1.00 0.00 O ATOM 1012 CB LEU A 69 -15.330 7.298 3.405 1.00 0.00 C ATOM 1013 CG LEU A 69 -14.388 8.506 3.265 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -13.793 8.719 1.863 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -15.327 9.660 3.654 1.00 0.00 C ATOM 0 H LEU A 69 -16.499 5.219 3.700 1.00 0.00 H new ATOM 0 HA LEU A 69 -14.426 6.005 1.950 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -16.216 7.473 2.795 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.664 7.233 4.441 1.00 0.00 H new ATOM 0 HG LEU A 69 -13.491 8.395 3.874 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.144 9.595 1.872 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.213 7.841 1.577 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -14.599 8.872 1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -14.785 10.604 3.600 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -16.173 9.688 2.968 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -15.689 9.507 4.671 1.00 0.00 H new ATOM 1027 N THR A 70 -13.609 5.168 4.978 1.00 0.00 N ATOM 1028 CA THR A 70 -12.589 4.781 5.902 1.00 0.00 C ATOM 1029 C THR A 70 -11.873 3.595 5.356 1.00 0.00 C ATOM 1030 O THR A 70 -10.646 3.515 5.324 1.00 0.00 O ATOM 1031 CB THR A 70 -13.322 4.436 7.165 1.00 0.00 C ATOM 1032 OG1 THR A 70 -13.816 5.643 7.726 1.00 0.00 O ATOM 1033 CG2 THR A 70 -12.318 3.948 8.223 1.00 0.00 C ATOM 0 H THR A 70 -14.541 5.037 5.372 1.00 0.00 H new ATOM 0 HA THR A 70 -11.846 5.559 6.078 1.00 0.00 H new ATOM 0 HB THR A 70 -14.089 3.698 6.932 1.00 0.00 H new ATOM 0 HG1 THR A 70 -14.694 5.847 7.342 1.00 0.00 H new ATOM 0 HG21 THR A 70 -12.850 3.697 9.141 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.799 3.065 7.852 1.00 0.00 H new ATOM 0 HG23 THR A 70 -11.593 4.736 8.427 1.00 0.00 H new ATOM 1041 N MET A 71 -12.619 2.694 4.691 1.00 0.00 N ATOM 1042 CA MET A 71 -12.067 1.524 4.081 1.00 0.00 C ATOM 1043 C MET A 71 -11.337 1.779 2.807 1.00 0.00 C ATOM 1044 O MET A 71 -10.298 1.205 2.487 1.00 0.00 O ATOM 1045 CB MET A 71 -13.056 0.347 4.045 1.00 0.00 C ATOM 1046 CG MET A 71 -12.684 -0.920 3.273 1.00 0.00 C ATOM 1047 SD MET A 71 -14.034 -2.136 3.324 1.00 0.00 S ATOM 1048 CE MET A 71 -13.821 -2.433 5.103 1.00 0.00 C ATOM 0 H MET A 71 -13.629 2.781 4.575 1.00 0.00 H new ATOM 0 HA MET A 71 -11.271 1.194 4.748 1.00 0.00 H new ATOM 0 HB2 MET A 71 -13.256 0.055 5.076 1.00 0.00 H new ATOM 0 HB3 MET A 71 -13.993 0.719 3.631 1.00 0.00 H new ATOM 0 HG2 MET A 71 -12.458 -0.666 2.237 1.00 0.00 H new ATOM 0 HG3 MET A 71 -11.780 -1.357 3.698 1.00 0.00 H new ATOM 0 HE1 MET A 71 -14.349 -3.344 5.386 1.00 0.00 H new ATOM 0 HE2 MET A 71 -12.760 -2.543 5.329 1.00 0.00 H new ATOM 0 HE3 MET A 71 -14.226 -1.590 5.664 1.00 0.00 H new ATOM 1058 N MET A 72 -11.856 2.630 1.904 1.00 0.00 N ATOM 1059 CA MET A 72 -11.085 3.262 0.880 1.00 0.00 C ATOM 1060 C MET A 72 -9.813 3.921 1.290 1.00 0.00 C ATOM 1061 O MET A 72 -8.753 3.650 0.727 1.00 0.00 O ATOM 1062 CB MET A 72 -11.837 4.261 -0.016 1.00 0.00 C ATOM 1063 CG MET A 72 -13.060 3.704 -0.748 1.00 0.00 C ATOM 1064 SD MET A 72 -12.847 2.542 -2.130 1.00 0.00 S ATOM 1065 CE MET A 72 -12.226 3.731 -3.354 1.00 0.00 C ATOM 0 H MET A 72 -12.843 2.886 1.886 1.00 0.00 H new ATOM 0 HA MET A 72 -10.843 2.363 0.313 1.00 0.00 H new ATOM 0 HB2 MET A 72 -12.156 5.103 0.598 1.00 0.00 H new ATOM 0 HB3 MET A 72 -11.140 4.653 -0.757 1.00 0.00 H new ATOM 0 HG2 MET A 72 -13.685 3.210 -0.004 1.00 0.00 H new ATOM 0 HG3 MET A 72 -13.626 4.555 -1.126 1.00 0.00 H new ATOM 0 HE1 MET A 72 -12.815 3.653 -4.268 1.00 0.00 H new ATOM 0 HE2 MET A 72 -12.309 4.742 -2.954 1.00 0.00 H new ATOM 0 HE3 MET A 72 -11.181 3.513 -3.576 1.00 0.00 H new ATOM 1075 N ALA A 73 -9.876 4.811 2.296 1.00 0.00 N ATOM 1076 CA ALA A 73 -8.871 5.707 2.779 1.00 0.00 C ATOM 1077 C ALA A 73 -7.721 4.977 3.383 1.00 0.00 C ATOM 1078 O ALA A 73 -6.601 5.476 3.283 1.00 0.00 O ATOM 1079 CB ALA A 73 -9.420 6.755 3.762 1.00 0.00 C ATOM 0 H ALA A 73 -10.737 4.912 2.833 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.514 6.247 1.902 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.609 7.404 4.092 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.185 7.353 3.267 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.856 6.251 4.625 1.00 0.00 H new ATOM 1234 N GLU A 83 -3.161 10.312 -10.217 1.00 0.00 N ATOM 1235 CA GLU A 83 -3.856 11.321 -10.954 1.00 0.00 C ATOM 1236 C GLU A 83 -4.433 12.472 -10.204 1.00 0.00 C ATOM 1237 O GLU A 83 -4.474 13.615 -10.659 1.00 0.00 O ATOM 1238 CB GLU A 83 -5.099 10.720 -11.632 1.00 0.00 C ATOM 1239 CG GLU A 83 -6.225 10.089 -10.810 1.00 0.00 C ATOM 1240 CD GLU A 83 -7.309 9.648 -11.783 1.00 0.00 C ATOM 1241 OE1 GLU A 83 -7.145 8.825 -12.723 1.00 0.00 O ATOM 1242 OE2 GLU A 83 -8.463 10.125 -11.617 1.00 0.00 O ATOM 0 HA GLU A 83 -3.060 11.685 -11.603 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -5.548 11.512 -12.232 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -4.745 9.957 -12.325 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -5.853 9.238 -10.239 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -6.623 10.805 -10.091 1.00 0.00 H new ATOM 1249 N GLU A 84 -4.676 12.204 -8.909 1.00 0.00 N ATOM 1250 CA GLU A 84 -4.907 13.188 -7.897 1.00 0.00 C ATOM 1251 C GLU A 84 -3.723 14.055 -7.638 1.00 0.00 C ATOM 1252 O GLU A 84 -3.862 15.262 -7.832 1.00 0.00 O ATOM 1253 CB GLU A 84 -5.669 12.753 -6.633 1.00 0.00 C ATOM 1254 CG GLU A 84 -7.109 12.260 -6.786 1.00 0.00 C ATOM 1255 CD GLU A 84 -7.684 12.421 -5.386 1.00 0.00 C ATOM 1256 OE1 GLU A 84 -7.502 11.466 -4.584 1.00 0.00 O ATOM 1257 OE2 GLU A 84 -8.137 13.522 -4.973 1.00 0.00 O ATOM 0 H GLU A 84 -4.713 11.250 -8.549 1.00 0.00 H new ATOM 0 HA GLU A 84 -5.659 13.822 -8.366 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.095 11.959 -6.156 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.678 13.597 -5.944 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.661 12.850 -7.518 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.146 11.223 -7.119 1.00 0.00 H new ATOM 1264 N ILE A 85 -2.559 13.508 -7.246 1.00 0.00 N ATOM 1265 CA ILE A 85 -1.400 14.312 -7.014 1.00 0.00 C ATOM 1266 C ILE A 85 -0.887 15.082 -8.182 1.00 0.00 C ATOM 1267 O ILE A 85 -0.541 16.252 -8.023 1.00 0.00 O ATOM 1268 CB ILE A 85 -0.185 13.644 -6.441 1.00 0.00 C ATOM 1269 CG1 ILE A 85 0.445 12.438 -7.159 1.00 0.00 C ATOM 1270 CG2 ILE A 85 -0.715 13.252 -5.051 1.00 0.00 C ATOM 1271 CD1 ILE A 85 1.875 12.060 -6.777 1.00 0.00 C ATOM 0 H ILE A 85 -2.420 12.510 -7.090 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.855 14.962 -6.267 1.00 0.00 H new ATOM 0 HB ILE A 85 0.666 14.322 -6.504 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.191 11.571 -6.982 1.00 0.00 H new ATOM 0 HG13 ILE A 85 0.424 12.635 -8.231 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.070 12.742 -4.493 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.020 14.149 -4.512 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.571 12.587 -5.162 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.191 11.194 -7.360 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.540 12.898 -6.983 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.916 11.817 -5.715 1.00 0.00 H new ATOM 1283 N ARG A 86 -0.963 14.503 -9.393 1.00 0.00 N ATOM 1284 CA ARG A 86 -0.640 15.141 -10.632 1.00 0.00 C ATOM 1285 C ARG A 86 -1.530 16.309 -10.885 1.00 0.00 C ATOM 1286 O ARG A 86 -1.021 17.311 -11.383 1.00 0.00 O ATOM 1287 CB ARG A 86 -0.552 14.182 -11.831 1.00 0.00 C ATOM 1288 CG ARG A 86 0.673 13.264 -11.819 1.00 0.00 C ATOM 1289 CD ARG A 86 0.722 12.150 -12.866 1.00 0.00 C ATOM 1290 NE ARG A 86 2.067 11.508 -12.851 1.00 0.00 N ATOM 1291 CZ ARG A 86 2.325 10.177 -13.006 1.00 0.00 C ATOM 1292 NH1 ARG A 86 1.396 9.201 -13.221 1.00 0.00 N ATOM 1293 NH2 ARG A 86 3.597 9.680 -13.000 1.00 0.00 N ATOM 0 H ARG A 86 -1.266 13.537 -9.514 1.00 0.00 H new ATOM 0 HA ARG A 86 0.376 15.520 -10.521 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.451 13.567 -11.855 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.542 14.769 -12.750 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.561 13.884 -11.944 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.741 12.804 -10.833 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.049 11.408 -12.658 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.513 12.558 -13.855 1.00 0.00 H new ATOM 0 HE ARG A 86 2.870 12.121 -12.712 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.407 9.442 -13.278 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.691 8.230 -13.324 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.390 10.310 -12.877 1.00 0.00 H new ATOM 0 HH22 ARG A 86 3.754 8.679 -13.119 1.00 0.00 H new ATOM 1307 N GLU A 87 -2.801 16.236 -10.449 1.00 0.00 N ATOM 1308 CA GLU A 87 -3.661 17.359 -10.657 1.00 0.00 C ATOM 1309 C GLU A 87 -3.498 18.484 -9.693 1.00 0.00 C ATOM 1310 O GLU A 87 -3.801 19.656 -9.912 1.00 0.00 O ATOM 1311 CB GLU A 87 -5.133 16.931 -10.778 1.00 0.00 C ATOM 1312 CG GLU A 87 -6.127 17.996 -11.246 1.00 0.00 C ATOM 1313 CD GLU A 87 -6.024 18.533 -12.666 1.00 0.00 C ATOM 1314 OE1 GLU A 87 -4.855 18.690 -13.110 1.00 0.00 O ATOM 1315 OE2 GLU A 87 -7.080 18.730 -13.325 1.00 0.00 O ATOM 0 H GLU A 87 -3.220 15.437 -9.973 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.332 17.772 -11.611 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -5.186 16.090 -11.469 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.461 16.565 -9.805 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.130 17.587 -11.122 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.043 18.845 -10.567 1.00 0.00 H new ATOM 1322 N ALA A 88 -3.069 18.145 -8.464 1.00 0.00 N ATOM 1323 CA ALA A 88 -2.821 19.126 -7.454 1.00 0.00 C ATOM 1324 C ALA A 88 -1.622 19.954 -7.764 1.00 0.00 C ATOM 1325 O ALA A 88 -1.725 21.177 -7.679 1.00 0.00 O ATOM 1326 CB ALA A 88 -2.655 18.436 -6.089 1.00 0.00 C ATOM 0 H ALA A 88 -2.893 17.185 -8.169 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.679 19.798 -7.422 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.466 19.187 -5.322 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.566 17.889 -5.845 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -1.815 17.742 -6.132 1.00 0.00 H new ATOM 1332 N PHE A 89 -0.557 19.283 -8.237 1.00 0.00 N ATOM 1333 CA PHE A 89 0.535 19.998 -8.822 1.00 0.00 C ATOM 1334 C PHE A 89 0.147 20.903 -9.940 1.00 0.00 C ATOM 1335 O PHE A 89 0.618 22.038 -9.980 1.00 0.00 O ATOM 1336 CB PHE A 89 1.629 19.035 -9.313 1.00 0.00 C ATOM 1337 CG PHE A 89 2.943 19.717 -9.146 1.00 0.00 C ATOM 1338 CD1 PHE A 89 3.432 20.761 -9.895 1.00 0.00 C ATOM 1339 CD2 PHE A 89 3.565 19.513 -7.937 1.00 0.00 C ATOM 1340 CE1 PHE A 89 4.586 21.433 -9.568 1.00 0.00 C ATOM 1341 CE2 PHE A 89 4.699 20.194 -7.562 1.00 0.00 C ATOM 1342 CZ PHE A 89 5.288 21.070 -8.443 1.00 0.00 C ATOM 0 H PHE A 89 -0.451 18.269 -8.216 1.00 0.00 H new ATOM 0 HA PHE A 89 0.915 20.629 -8.018 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.605 18.107 -8.742 1.00 0.00 H new ATOM 0 HB3 PHE A 89 1.465 18.771 -10.358 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.887 21.066 -10.776 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.146 18.789 -7.254 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.939 22.241 -10.191 1.00 0.00 H new ATOM 0 HE2 PHE A 89 5.125 20.042 -6.581 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.277 21.463 -8.256 1.00 0.00 H new ATOM 1352 N ARG A 90 -0.827 20.477 -10.765 1.00 0.00 N ATOM 1353 CA ARG A 90 -1.087 21.170 -11.989 1.00 0.00 C ATOM 1354 C ARG A 90 -1.857 22.419 -11.729 1.00 0.00 C ATOM 1355 O ARG A 90 -1.544 23.488 -12.251 1.00 0.00 O ATOM 1356 CB ARG A 90 -1.842 20.224 -12.938 1.00 0.00 C ATOM 1357 CG ARG A 90 -2.044 20.603 -14.407 1.00 0.00 C ATOM 1358 CD ARG A 90 -3.099 21.670 -14.700 1.00 0.00 C ATOM 1359 NE ARG A 90 -4.472 21.134 -14.479 1.00 0.00 N ATOM 1360 CZ ARG A 90 -5.644 21.832 -14.510 1.00 0.00 C ATOM 1361 NH1 ARG A 90 -5.670 23.124 -14.948 1.00 0.00 N ATOM 1362 NH2 ARG A 90 -6.782 21.166 -14.155 1.00 0.00 N ATOM 0 H ARG A 90 -1.424 19.669 -10.590 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.149 21.467 -12.458 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.321 19.266 -12.920 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -2.830 20.058 -12.509 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -1.090 20.950 -14.804 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -2.310 19.701 -14.958 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.935 22.536 -14.059 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -2.999 22.013 -15.730 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.543 20.136 -14.283 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -4.809 23.576 -15.256 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.551 23.638 -14.968 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.734 20.185 -13.881 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.680 21.650 -14.164 1.00 0.00 H new ATOM 1376 N VAL A 91 -2.909 22.313 -10.898 1.00 0.00 N ATOM 1377 CA VAL A 91 -3.634 23.463 -10.452 1.00 0.00 C ATOM 1378 C VAL A 91 -2.874 24.265 -9.453 1.00 0.00 C ATOM 1379 O VAL A 91 -3.375 25.358 -9.192 1.00 0.00 O ATOM 1380 CB VAL A 91 -5.025 23.250 -9.934 1.00 0.00 C ATOM 1381 CG1 VAL A 91 -5.915 22.778 -11.096 1.00 0.00 C ATOM 1382 CG2 VAL A 91 -5.145 22.492 -8.600 1.00 0.00 C ATOM 0 H VAL A 91 -3.259 21.427 -10.533 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.753 24.005 -11.390 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.419 24.207 -9.593 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -6.931 22.619 -10.735 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.923 23.536 -11.879 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.523 21.844 -11.499 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.196 22.399 -8.327 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.708 21.499 -8.705 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.615 23.040 -7.821 1.00 0.00 H new ATOM 1392 N PHE A 92 -1.718 23.859 -8.900 1.00 0.00 N ATOM 1393 CA PHE A 92 -0.981 24.722 -8.029 1.00 0.00 C ATOM 1394 C PHE A 92 0.058 25.480 -8.780 1.00 0.00 C ATOM 1395 O PHE A 92 0.275 26.608 -8.340 1.00 0.00 O ATOM 1396 CB PHE A 92 -0.281 23.976 -6.881 1.00 0.00 C ATOM 1397 CG PHE A 92 -1.054 23.822 -5.616 1.00 0.00 C ATOM 1398 CD1 PHE A 92 -2.341 23.341 -5.566 1.00 0.00 C ATOM 1399 CD2 PHE A 92 -0.414 23.956 -4.406 1.00 0.00 C ATOM 1400 CE1 PHE A 92 -3.053 23.175 -4.402 1.00 0.00 C ATOM 1401 CE2 PHE A 92 -1.071 23.711 -3.224 1.00 0.00 C ATOM 1402 CZ PHE A 92 -2.390 23.323 -3.206 1.00 0.00 C ATOM 0 H PHE A 92 -1.296 22.943 -9.053 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.723 25.397 -7.602 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -0.008 22.982 -7.237 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.648 24.498 -6.651 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.821 23.078 -6.497 1.00 0.00 H new ATOM 0 HD2 PHE A 92 0.622 24.259 -4.384 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.106 22.935 -4.426 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -0.540 23.826 -2.290 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.896 23.138 -2.270 1.00 0.00 H new ATOM 1412 N ASP A 93 0.607 24.887 -9.855 1.00 0.00 N ATOM 1413 CA ASP A 93 1.501 25.584 -10.728 1.00 0.00 C ATOM 1414 C ASP A 93 0.821 26.484 -11.701 1.00 0.00 C ATOM 1415 O ASP A 93 0.130 26.047 -12.620 1.00 0.00 O ATOM 1416 CB ASP A 93 2.441 24.528 -11.333 1.00 0.00 C ATOM 1417 CG ASP A 93 3.609 25.244 -11.996 1.00 0.00 C ATOM 1418 OD1 ASP A 93 3.754 26.493 -12.067 1.00 0.00 O ATOM 1419 OD2 ASP A 93 4.408 24.418 -12.514 1.00 0.00 O ATOM 0 H ASP A 93 0.430 23.918 -10.121 1.00 0.00 H new ATOM 0 HA ASP A 93 2.098 26.308 -10.173 1.00 0.00 H new ATOM 0 HB2 ASP A 93 2.802 23.853 -10.557 1.00 0.00 H new ATOM 0 HB3 ASP A 93 1.907 23.919 -12.062 1.00 0.00 H new ATOM 1424 N LYS A 94 1.048 27.800 -11.543 1.00 0.00 N ATOM 1425 CA LYS A 94 0.363 28.903 -12.143 1.00 0.00 C ATOM 1426 C LYS A 94 0.713 28.900 -13.591 1.00 0.00 C ATOM 1427 O LYS A 94 -0.067 28.608 -14.496 1.00 0.00 O ATOM 1428 CB LYS A 94 0.551 30.233 -11.394 1.00 0.00 C ATOM 1429 CG LYS A 94 -0.100 31.401 -12.137 1.00 0.00 C ATOM 1430 CD LYS A 94 -1.618 31.371 -12.320 1.00 0.00 C ATOM 1431 CE LYS A 94 -2.244 32.730 -12.642 1.00 0.00 C ATOM 1432 NZ LYS A 94 -3.655 32.634 -13.080 1.00 0.00 N ATOM 0 H LYS A 94 1.794 28.123 -10.927 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.717 28.785 -12.058 1.00 0.00 H new ATOM 0 HB2 LYS A 94 0.120 30.152 -10.396 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.615 30.431 -11.267 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.156 32.319 -11.608 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.356 31.465 -13.125 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.861 30.674 -13.122 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -2.074 30.981 -11.410 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.187 33.367 -11.759 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -1.660 33.216 -13.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -3.954 33.542 -13.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.746 31.885 -13.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -4.257 32.408 -12.263 1.00 0.00 H new ATOM 1446 N ASP A 95 1.978 29.248 -13.890 1.00 0.00 N ATOM 1447 CA ASP A 95 2.632 29.315 -15.159 1.00 0.00 C ATOM 1448 C ASP A 95 2.728 28.061 -15.958 1.00 0.00 C ATOM 1449 O ASP A 95 2.468 27.908 -17.150 1.00 0.00 O ATOM 1450 CB ASP A 95 3.990 29.999 -14.929 1.00 0.00 C ATOM 1451 CG ASP A 95 4.709 29.413 -13.723 1.00 0.00 C ATOM 1452 OD1 ASP A 95 5.350 28.338 -13.876 1.00 0.00 O ATOM 1453 OD2 ASP A 95 4.787 30.013 -12.618 1.00 0.00 O ATOM 0 H ASP A 95 2.619 29.515 -13.143 1.00 0.00 H new ATOM 0 HA ASP A 95 1.988 29.898 -15.818 1.00 0.00 H new ATOM 0 HB2 ASP A 95 4.612 29.884 -15.817 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.840 31.068 -14.781 1.00 0.00 H new ATOM 1458 N GLY A 96 3.030 27.030 -15.149 1.00 0.00 N ATOM 1459 CA GLY A 96 3.156 25.665 -15.555 1.00 0.00 C ATOM 1460 C GLY A 96 4.505 25.168 -15.949 1.00 0.00 C ATOM 1461 O GLY A 96 4.644 24.716 -17.085 1.00 0.00 O ATOM 0 H GLY A 96 3.196 27.158 -14.151 1.00 0.00 H new ATOM 0 HA2 GLY A 96 2.797 25.040 -14.737 1.00 0.00 H new ATOM 0 HA3 GLY A 96 2.483 25.505 -16.398 1.00 0.00 H new ATOM 1465 N ASN A 97 5.500 25.298 -15.054 1.00 0.00 N ATOM 1466 CA ASN A 97 6.856 24.879 -15.234 1.00 0.00 C ATOM 1467 C ASN A 97 7.147 23.603 -14.522 1.00 0.00 C ATOM 1468 O ASN A 97 7.980 22.865 -15.045 1.00 0.00 O ATOM 1469 CB ASN A 97 7.958 25.933 -15.032 1.00 0.00 C ATOM 1470 CG ASN A 97 7.983 26.616 -13.672 1.00 0.00 C ATOM 1471 OD1 ASN A 97 7.196 26.333 -12.771 1.00 0.00 O ATOM 1472 ND2 ASN A 97 8.924 27.581 -13.486 1.00 0.00 N ATOM 0 H ASN A 97 5.346 25.726 -14.141 1.00 0.00 H new ATOM 0 HA ASN A 97 6.909 24.701 -16.308 1.00 0.00 H new ATOM 0 HB2 ASN A 97 8.924 25.456 -15.195 1.00 0.00 H new ATOM 0 HB3 ASN A 97 7.847 26.699 -15.800 1.00 0.00 H new ATOM 0 HD21 ASN A 97 8.979 28.074 -12.595 1.00 0.00 H new ATOM 0 HD22 ASN A 97 9.574 27.811 -14.238 1.00 0.00 H new ATOM 1479 N GLY A 98 6.571 23.204 -13.374 1.00 0.00 N ATOM 1480 CA GLY A 98 7.005 22.121 -12.546 1.00 0.00 C ATOM 1481 C GLY A 98 7.472 22.560 -11.201 1.00 0.00 C ATOM 1482 O GLY A 98 7.943 21.740 -10.415 1.00 0.00 O ATOM 0 H GLY A 98 5.745 23.671 -12.999 1.00 0.00 H new ATOM 0 HA2 GLY A 98 6.185 21.413 -12.425 1.00 0.00 H new ATOM 0 HA3 GLY A 98 7.813 21.590 -13.048 1.00 0.00 H new ATOM 1486 N TYR A 99 7.292 23.850 -10.866 1.00 0.00 N ATOM 1487 CA TYR A 99 7.723 24.461 -9.647 1.00 0.00 C ATOM 1488 C TYR A 99 6.739 25.457 -9.138 1.00 0.00 C ATOM 1489 O TYR A 99 6.014 26.112 -9.885 1.00 0.00 O ATOM 1490 CB TYR A 99 9.085 25.157 -9.803 1.00 0.00 C ATOM 1491 CG TYR A 99 10.167 24.234 -10.248 1.00 0.00 C ATOM 1492 CD1 TYR A 99 10.277 23.976 -11.594 1.00 0.00 C ATOM 1493 CD2 TYR A 99 10.999 23.551 -9.392 1.00 0.00 C ATOM 1494 CE1 TYR A 99 11.211 23.099 -12.096 1.00 0.00 C ATOM 1495 CE2 TYR A 99 11.991 22.713 -9.844 1.00 0.00 C ATOM 1496 CZ TYR A 99 12.097 22.543 -11.204 1.00 0.00 C ATOM 1497 OH TYR A 99 13.103 21.691 -11.709 1.00 0.00 O ATOM 0 H TYR A 99 6.816 24.506 -11.485 1.00 0.00 H new ATOM 0 HA TYR A 99 7.812 23.646 -8.928 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.990 25.970 -10.523 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.368 25.606 -8.851 1.00 0.00 H new ATOM 0 HD1 TYR A 99 9.609 24.477 -12.279 1.00 0.00 H new ATOM 0 HD2 TYR A 99 10.869 23.677 -8.327 1.00 0.00 H new ATOM 0 HE1 TYR A 99 11.247 22.857 -13.148 1.00 0.00 H new ATOM 0 HE2 TYR A 99 12.658 22.210 -9.160 1.00 0.00 H new ATOM 0 HH TYR A 99 13.660 21.369 -10.970 1.00 0.00 H new ATOM 1507 N ILE A 100 6.698 25.592 -7.800 1.00 0.00 N ATOM 1508 CA ILE A 100 5.792 26.506 -7.177 1.00 0.00 C ATOM 1509 C ILE A 100 6.599 27.490 -6.402 1.00 0.00 C ATOM 1510 O ILE A 100 7.420 27.144 -5.554 1.00 0.00 O ATOM 1511 CB ILE A 100 4.752 25.846 -6.321 1.00 0.00 C ATOM 1512 CG1 ILE A 100 4.241 24.489 -6.833 1.00 0.00 C ATOM 1513 CG2 ILE A 100 3.616 26.823 -5.972 1.00 0.00 C ATOM 1514 CD1 ILE A 100 3.556 23.573 -5.820 1.00 0.00 C ATOM 0 H ILE A 100 7.289 25.071 -7.152 1.00 0.00 H new ATOM 0 HA ILE A 100 5.218 27.005 -7.958 1.00 0.00 H new ATOM 0 HB ILE A 100 5.267 25.583 -5.397 1.00 0.00 H new ATOM 0 HG12 ILE A 100 3.540 24.677 -7.646 1.00 0.00 H new ATOM 0 HG13 ILE A 100 5.086 23.949 -7.259 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.878 26.316 -5.351 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.023 27.675 -5.428 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.141 27.171 -6.889 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.246 22.652 -6.314 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.252 23.337 -5.015 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.681 24.076 -5.408 1.00 0.00 H new ATOM 1526 N SER A 101 6.396 28.802 -6.617 1.00 0.00 N ATOM 1527 CA SER A 101 6.955 29.832 -5.796 1.00 0.00 C ATOM 1528 C SER A 101 6.098 30.301 -4.672 1.00 0.00 C ATOM 1529 O SER A 101 4.898 30.030 -4.669 1.00 0.00 O ATOM 1530 CB SER A 101 7.559 30.993 -6.603 1.00 0.00 C ATOM 1531 OG SER A 101 6.540 31.769 -7.216 1.00 0.00 O ATOM 0 H SER A 101 5.826 29.157 -7.385 1.00 0.00 H new ATOM 0 HA SER A 101 7.783 29.326 -5.299 1.00 0.00 H new ATOM 0 HB2 SER A 101 8.157 31.625 -5.946 1.00 0.00 H new ATOM 0 HB3 SER A 101 8.231 30.600 -7.366 1.00 0.00 H new ATOM 0 HG SER A 101 6.947 32.503 -7.722 1.00 0.00 H new ATOM 1537 N ALA A 102 6.592 31.116 -3.723 1.00 0.00 N ATOM 1538 CA ALA A 102 5.790 31.808 -2.763 1.00 0.00 C ATOM 1539 C ALA A 102 4.600 32.550 -3.266 1.00 0.00 C ATOM 1540 O ALA A 102 3.464 32.397 -2.819 1.00 0.00 O ATOM 1541 CB ALA A 102 6.598 32.749 -1.853 1.00 0.00 C ATOM 0 H ALA A 102 7.590 31.300 -3.621 1.00 0.00 H new ATOM 0 HA ALA A 102 5.401 30.961 -2.198 1.00 0.00 H new ATOM 0 HB1 ALA A 102 5.926 33.241 -1.150 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.341 32.173 -1.302 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.100 33.501 -2.461 1.00 0.00 H new ATOM 1547 N ALA A 103 4.761 33.383 -4.309 1.00 0.00 N ATOM 1548 CA ALA A 103 3.755 34.090 -5.039 1.00 0.00 C ATOM 1549 C ALA A 103 2.763 33.222 -5.734 1.00 0.00 C ATOM 1550 O ALA A 103 1.630 33.694 -5.821 1.00 0.00 O ATOM 1551 CB ALA A 103 4.274 35.017 -6.151 1.00 0.00 C ATOM 0 H ALA A 103 5.692 33.580 -4.677 1.00 0.00 H new ATOM 0 HA ALA A 103 3.305 34.658 -4.225 1.00 0.00 H new ATOM 0 HB1 ALA A 103 3.431 35.504 -6.641 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.929 35.773 -5.718 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.830 34.431 -6.883 1.00 0.00 H new ATOM 1557 N GLU A 104 3.051 32.006 -6.230 1.00 0.00 N ATOM 1558 CA GLU A 104 2.020 31.148 -6.727 1.00 0.00 C ATOM 1559 C GLU A 104 1.140 30.507 -5.709 1.00 0.00 C ATOM 1560 O GLU A 104 -0.029 30.249 -5.989 1.00 0.00 O ATOM 1561 CB GLU A 104 2.590 30.062 -7.655 1.00 0.00 C ATOM 1562 CG GLU A 104 3.606 30.602 -8.664 1.00 0.00 C ATOM 1563 CD GLU A 104 4.222 29.559 -9.585 1.00 0.00 C ATOM 1564 OE1 GLU A 104 3.563 28.948 -10.469 1.00 0.00 O ATOM 1565 OE2 GLU A 104 5.456 29.342 -9.454 1.00 0.00 O ATOM 0 H GLU A 104 3.992 31.618 -6.287 1.00 0.00 H new ATOM 0 HA GLU A 104 1.377 31.836 -7.275 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.064 29.289 -7.050 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.770 29.587 -8.194 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.118 31.361 -9.276 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.407 31.100 -8.118 1.00 0.00 H new ATOM 1572 N LEU A 105 1.726 30.281 -4.520 1.00 0.00 N ATOM 1573 CA LEU A 105 1.043 29.776 -3.370 1.00 0.00 C ATOM 1574 C LEU A 105 0.063 30.796 -2.900 1.00 0.00 C ATOM 1575 O LEU A 105 -0.986 30.525 -2.317 1.00 0.00 O ATOM 1576 CB LEU A 105 2.044 29.255 -2.325 1.00 0.00 C ATOM 1577 CG LEU A 105 1.396 28.259 -1.349 1.00 0.00 C ATOM 1578 CD1 LEU A 105 1.170 26.874 -1.979 1.00 0.00 C ATOM 1579 CD2 LEU A 105 2.187 28.155 -0.034 1.00 0.00 C ATOM 0 H LEU A 105 2.717 30.457 -4.353 1.00 0.00 H new ATOM 0 HA LEU A 105 0.449 28.894 -3.610 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.879 28.773 -2.833 1.00 0.00 H new ATOM 0 HB3 LEU A 105 2.454 30.096 -1.765 1.00 0.00 H new ATOM 0 HG LEU A 105 0.410 28.659 -1.112 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.710 26.211 -1.246 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.513 26.970 -2.843 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.126 26.458 -2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.698 27.442 0.629 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.202 27.817 -0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.223 29.132 0.447 1.00 0.00 H new ATOM 1591 N ARG A 106 0.350 32.092 -3.111 1.00 0.00 N ATOM 1592 CA ARG A 106 -0.636 33.109 -2.914 1.00 0.00 C ATOM 1593 C ARG A 106 -1.871 33.016 -3.744 1.00 0.00 C ATOM 1594 O ARG A 106 -2.999 33.052 -3.256 1.00 0.00 O ATOM 1595 CB ARG A 106 -0.018 34.516 -2.856 1.00 0.00 C ATOM 1596 CG ARG A 106 -0.986 35.571 -2.318 1.00 0.00 C ATOM 1597 CD ARG A 106 -0.467 36.997 -2.515 1.00 0.00 C ATOM 1598 NE ARG A 106 0.858 37.023 -1.835 1.00 0.00 N ATOM 1599 CZ ARG A 106 1.995 37.079 -2.588 1.00 0.00 C ATOM 1600 NH1 ARG A 106 2.081 37.123 -3.950 1.00 0.00 N ATOM 1601 NH2 ARG A 106 3.160 37.208 -1.889 1.00 0.00 N ATOM 0 H ARG A 106 1.260 32.435 -3.417 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.033 32.895 -1.922 1.00 0.00 H new ATOM 0 HB2 ARG A 106 0.871 34.491 -2.226 1.00 0.00 H new ATOM 0 HB3 ARG A 106 0.308 34.805 -3.855 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -1.948 35.466 -2.819 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.158 35.394 -1.256 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -0.372 37.240 -3.573 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -1.148 37.728 -2.080 1.00 0.00 H new ATOM 0 HE ARG A 106 0.915 36.999 -0.817 1.00 0.00 H new ATOM 0 HH11 ARG A 106 1.232 37.116 -4.515 1.00 0.00 H new ATOM 0 HH12 ARG A 106 2.994 37.163 -4.402 1.00 0.00 H new ATOM 0 HH21 ARG A 106 3.141 37.256 -0.870 1.00 0.00 H new ATOM 0 HH22 ARG A 106 4.050 37.256 -2.385 1.00 0.00 H new ATOM 1615 N HIS A 107 -1.680 32.849 -5.065 1.00 0.00 N ATOM 1616 CA HIS A 107 -2.744 32.519 -5.961 1.00 0.00 C ATOM 1617 C HIS A 107 -3.403 31.219 -5.651 1.00 0.00 C ATOM 1618 O HIS A 107 -4.455 30.902 -6.203 1.00 0.00 O ATOM 1619 CB HIS A 107 -2.303 32.597 -7.433 1.00 0.00 C ATOM 1620 CG HIS A 107 -3.387 32.648 -8.468 1.00 0.00 C ATOM 1621 ND1 HIS A 107 -4.253 33.684 -8.750 1.00 0.00 N ATOM 1622 CD2 HIS A 107 -3.703 31.593 -9.267 1.00 0.00 C ATOM 1623 CE1 HIS A 107 -5.059 33.185 -9.726 1.00 0.00 C ATOM 1624 NE2 HIS A 107 -4.801 31.927 -10.033 1.00 0.00 N ATOM 0 H HIS A 107 -0.771 32.945 -5.518 1.00 0.00 H new ATOM 0 HA HIS A 107 -3.505 33.283 -5.803 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -1.679 33.482 -7.553 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -1.674 31.732 -7.644 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -3.180 30.649 -9.297 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -5.836 33.763 -10.204 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -5.303 31.332 -10.692 1.00 0.00 H new ATOM 1632 N VAL A 108 -2.832 30.340 -4.808 1.00 0.00 N ATOM 1633 CA VAL A 108 -3.494 29.187 -4.281 1.00 0.00 C ATOM 1634 C VAL A 108 -4.339 29.591 -3.122 1.00 0.00 C ATOM 1635 O VAL A 108 -5.493 29.183 -3.006 1.00 0.00 O ATOM 1636 CB VAL A 108 -2.643 28.036 -3.834 1.00 0.00 C ATOM 1637 CG1 VAL A 108 -3.270 26.918 -2.983 1.00 0.00 C ATOM 1638 CG2 VAL A 108 -1.981 27.502 -5.116 1.00 0.00 C ATOM 0 H VAL A 108 -1.871 30.436 -4.481 1.00 0.00 H new ATOM 0 HA VAL A 108 -4.055 28.812 -5.137 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.946 28.428 -3.094 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.513 26.169 -2.751 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.659 27.341 -2.056 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.084 26.451 -3.538 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.340 26.655 -4.869 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -2.752 27.182 -5.817 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.381 28.290 -5.571 1.00 0.00 H new ATOM 1648 N MET A 109 -3.782 30.348 -2.160 1.00 0.00 N ATOM 1649 CA MET A 109 -4.496 30.820 -1.014 1.00 0.00 C ATOM 1650 C MET A 109 -5.732 31.617 -1.247 1.00 0.00 C ATOM 1651 O MET A 109 -6.733 31.225 -0.648 1.00 0.00 O ATOM 1652 CB MET A 109 -3.654 31.362 0.154 1.00 0.00 C ATOM 1653 CG MET A 109 -2.458 30.532 0.626 1.00 0.00 C ATOM 1654 SD MET A 109 -2.676 28.741 0.849 1.00 0.00 S ATOM 1655 CE MET A 109 -4.063 28.731 2.020 1.00 0.00 C ATOM 0 H MET A 109 -2.805 30.641 -2.180 1.00 0.00 H new ATOM 0 HA MET A 109 -4.870 29.856 -0.671 1.00 0.00 H new ATOM 0 HB2 MET A 109 -3.285 32.347 -0.130 1.00 0.00 H new ATOM 0 HB3 MET A 109 -4.318 31.504 1.006 1.00 0.00 H new ATOM 0 HG2 MET A 109 -1.649 30.681 -0.089 1.00 0.00 H new ATOM 0 HG3 MET A 109 -2.123 30.946 1.577 1.00 0.00 H new ATOM 0 HE1 MET A 109 -4.211 27.720 2.400 1.00 0.00 H new ATOM 0 HE2 MET A 109 -3.843 29.403 2.850 1.00 0.00 H new ATOM 0 HE3 MET A 109 -4.969 29.064 1.514 1.00 0.00 H new ATOM 1665 N THR A 110 -5.843 32.539 -2.220 1.00 0.00 N ATOM 1666 CA THR A 110 -7.027 33.165 -2.722 1.00 0.00 C ATOM 1667 C THR A 110 -8.053 32.289 -3.353 1.00 0.00 C ATOM 1668 O THR A 110 -9.258 32.511 -3.250 1.00 0.00 O ATOM 1669 CB THR A 110 -6.697 34.316 -3.625 1.00 0.00 C ATOM 1670 OG1 THR A 110 -5.687 34.025 -4.580 1.00 0.00 O ATOM 1671 CG2 THR A 110 -6.254 35.471 -2.712 1.00 0.00 C ATOM 0 H THR A 110 -5.013 32.880 -2.705 1.00 0.00 H new ATOM 0 HA THR A 110 -7.512 33.514 -1.810 1.00 0.00 H new ATOM 0 HB THR A 110 -7.578 34.566 -4.217 1.00 0.00 H new ATOM 0 HG1 THR A 110 -5.523 34.816 -5.135 1.00 0.00 H new ATOM 0 HG21 THR A 110 -6.001 36.339 -3.320 1.00 0.00 H new ATOM 0 HG22 THR A 110 -7.066 35.729 -2.032 1.00 0.00 H new ATOM 0 HG23 THR A 110 -5.381 35.165 -2.135 1.00 0.00 H new ATOM 1679 N ASN A 111 -7.595 31.266 -4.098 1.00 0.00 N ATOM 1680 CA ASN A 111 -8.399 30.268 -4.732 1.00 0.00 C ATOM 1681 C ASN A 111 -9.173 29.338 -3.862 1.00 0.00 C ATOM 1682 O ASN A 111 -10.387 29.173 -3.968 1.00 0.00 O ATOM 1683 CB ASN A 111 -7.592 29.440 -5.746 1.00 0.00 C ATOM 1684 CG ASN A 111 -8.516 28.810 -6.779 1.00 0.00 C ATOM 1685 OD1 ASN A 111 -8.798 27.615 -6.718 1.00 0.00 O ATOM 1686 ND2 ASN A 111 -9.096 29.702 -7.626 1.00 0.00 N ATOM 0 H ASN A 111 -6.599 31.128 -4.268 1.00 0.00 H new ATOM 0 HA ASN A 111 -9.153 30.885 -5.221 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -6.861 30.077 -6.244 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -7.034 28.661 -5.226 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -9.822 29.393 -8.273 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -8.805 30.680 -7.615 1.00 0.00 H new ATOM 1693 N LEU A 112 -8.495 28.783 -2.841 1.00 0.00 N ATOM 1694 CA LEU A 112 -9.079 28.065 -1.751 1.00 0.00 C ATOM 1695 C LEU A 112 -9.924 28.966 -0.917 1.00 0.00 C ATOM 1696 O LEU A 112 -10.964 28.482 -0.473 1.00 0.00 O ATOM 1697 CB LEU A 112 -7.957 27.457 -0.893 1.00 0.00 C ATOM 1698 CG LEU A 112 -6.943 26.555 -1.618 1.00 0.00 C ATOM 1699 CD1 LEU A 112 -5.981 26.111 -0.503 1.00 0.00 C ATOM 1700 CD2 LEU A 112 -7.670 25.374 -2.282 1.00 0.00 C ATOM 0 H LEU A 112 -7.479 28.839 -2.773 1.00 0.00 H new ATOM 0 HA LEU A 112 -9.715 27.273 -2.147 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.410 28.273 -0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -8.417 26.877 -0.093 1.00 0.00 H new ATOM 0 HG LEU A 112 -6.407 27.053 -2.426 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -5.215 25.459 -0.922 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -5.509 26.988 -0.060 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -6.537 25.572 0.264 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.945 24.741 -2.793 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.188 24.791 -1.520 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.394 25.752 -3.004 1.00 0.00 H new ATOM 1712 N GLY A 113 -9.559 30.219 -0.595 1.00 0.00 N ATOM 1713 CA GLY A 113 -10.433 31.160 0.034 1.00 0.00 C ATOM 1714 C GLY A 113 -9.852 31.806 1.244 1.00 0.00 C ATOM 1715 O GLY A 113 -10.542 32.629 1.844 1.00 0.00 O ATOM 0 H GLY A 113 -8.626 30.590 -0.778 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -10.698 31.933 -0.687 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -11.357 30.653 0.313 1.00 0.00 H new ATOM 1719 N GLU A 114 -8.733 31.251 1.746 1.00 0.00 N ATOM 1720 CA GLU A 114 -8.169 31.555 3.024 1.00 0.00 C ATOM 1721 C GLU A 114 -7.339 32.786 2.898 1.00 0.00 C ATOM 1722 O GLU A 114 -6.721 33.025 1.862 1.00 0.00 O ATOM 1723 CB GLU A 114 -7.539 30.297 3.647 1.00 0.00 C ATOM 1724 CG GLU A 114 -7.025 30.541 5.067 1.00 0.00 C ATOM 1725 CD GLU A 114 -8.113 31.102 5.972 1.00 0.00 C ATOM 1726 OE1 GLU A 114 -9.032 30.335 6.366 1.00 0.00 O ATOM 1727 OE2 GLU A 114 -7.951 32.249 6.467 1.00 0.00 O ATOM 0 H GLU A 114 -8.194 30.554 1.232 1.00 0.00 H new ATOM 0 HA GLU A 114 -8.915 31.821 3.772 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -8.277 29.495 3.664 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -6.715 29.958 3.019 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -6.651 29.606 5.484 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -6.185 31.234 5.036 1.00 0.00 H new ATOM 1734 N LYS A 115 -7.116 33.590 3.953 1.00 0.00 N ATOM 1735 CA LYS A 115 -6.167 34.660 3.956 1.00 0.00 C ATOM 1736 C LYS A 115 -5.003 34.509 4.874 1.00 0.00 C ATOM 1737 O LYS A 115 -5.153 34.759 6.069 1.00 0.00 O ATOM 1738 CB LYS A 115 -6.967 35.896 4.402 1.00 0.00 C ATOM 1739 CG LYS A 115 -6.304 37.255 4.167 1.00 0.00 C ATOM 1740 CD LYS A 115 -7.024 38.509 4.666 1.00 0.00 C ATOM 1741 CE LYS A 115 -6.602 39.829 4.018 1.00 0.00 C ATOM 1742 NZ LYS A 115 -7.519 40.925 4.403 1.00 0.00 N ATOM 0 H LYS A 115 -7.615 33.491 4.837 1.00 0.00 H new ATOM 0 HA LYS A 115 -5.724 34.711 2.961 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -7.925 35.889 3.883 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -7.181 35.799 5.466 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -5.319 37.229 4.633 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -6.146 37.367 3.094 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -8.094 38.376 4.508 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -6.868 38.589 5.742 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -5.585 40.078 4.320 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -6.595 39.720 2.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -7.212 41.810 3.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -8.485 40.695 4.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -7.506 41.042 5.436 1.00 0.00 H new ATOM 1756 N LEU A 116 -3.902 33.894 4.406 1.00 0.00 N ATOM 1757 CA LEU A 116 -2.667 33.754 5.113 1.00 0.00 C ATOM 1758 C LEU A 116 -1.728 34.845 4.728 1.00 0.00 C ATOM 1759 O LEU A 116 -1.831 35.419 3.645 1.00 0.00 O ATOM 1760 CB LEU A 116 -2.026 32.374 4.891 1.00 0.00 C ATOM 1761 CG LEU A 116 -3.023 31.258 5.250 1.00 0.00 C ATOM 1762 CD1 LEU A 116 -2.261 29.923 5.187 1.00 0.00 C ATOM 1763 CD2 LEU A 116 -3.631 31.312 6.661 1.00 0.00 C ATOM 0 H LEU A 116 -3.873 33.470 3.479 1.00 0.00 H new ATOM 0 HA LEU A 116 -2.885 33.834 6.178 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -1.715 32.273 3.851 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -1.129 32.280 5.502 1.00 0.00 H new ATOM 0 HG LEU A 116 -3.844 31.376 4.543 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -2.938 29.106 5.436 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.869 29.775 4.181 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -1.436 29.941 5.899 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.316 30.475 6.794 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -2.835 31.251 7.403 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -4.174 32.249 6.788 1.00 0.00 H new ATOM 1775 N THR A 117 -0.808 35.201 5.643 1.00 0.00 N ATOM 1776 CA THR A 117 0.158 36.246 5.505 1.00 0.00 C ATOM 1777 C THR A 117 1.232 35.778 4.584 1.00 0.00 C ATOM 1778 O THR A 117 1.525 34.612 4.321 1.00 0.00 O ATOM 1779 CB THR A 117 0.800 36.772 6.755 1.00 0.00 C ATOM 1780 OG1 THR A 117 1.129 35.661 7.576 1.00 0.00 O ATOM 1781 CG2 THR A 117 -0.180 37.595 7.607 1.00 0.00 C ATOM 0 H THR A 117 -0.735 34.724 6.542 1.00 0.00 H new ATOM 0 HA THR A 117 -0.417 37.091 5.126 1.00 0.00 H new ATOM 0 HB THR A 117 1.650 37.382 6.450 1.00 0.00 H new ATOM 0 HG1 THR A 117 1.553 35.978 8.401 1.00 0.00 H new ATOM 0 HG21 THR A 117 0.329 37.955 8.501 1.00 0.00 H new ATOM 0 HG22 THR A 117 -0.541 38.445 7.028 1.00 0.00 H new ATOM 0 HG23 THR A 117 -1.024 36.969 7.897 1.00 0.00 H new ATOM 1789 N ASP A 118 2.048 36.721 4.081 1.00 0.00 N ATOM 1790 CA ASP A 118 3.245 36.382 3.377 1.00 0.00 C ATOM 1791 C ASP A 118 4.211 35.631 4.226 1.00 0.00 C ATOM 1792 O ASP A 118 4.803 34.669 3.737 1.00 0.00 O ATOM 1793 CB ASP A 118 3.850 37.670 2.793 1.00 0.00 C ATOM 1794 CG ASP A 118 3.017 38.205 1.637 1.00 0.00 C ATOM 1795 OD1 ASP A 118 2.447 37.338 0.921 1.00 0.00 O ATOM 1796 OD2 ASP A 118 2.887 39.449 1.484 1.00 0.00 O ATOM 0 H ASP A 118 1.877 37.723 4.163 1.00 0.00 H new ATOM 0 HA ASP A 118 3.001 35.701 2.562 1.00 0.00 H new ATOM 0 HB2 ASP A 118 3.919 38.427 3.574 1.00 0.00 H new ATOM 0 HB3 ASP A 118 4.866 37.473 2.450 1.00 0.00 H new ATOM 1801 N GLU A 119 4.361 36.003 5.510 1.00 0.00 N ATOM 1802 CA GLU A 119 5.101 35.281 6.498 1.00 0.00 C ATOM 1803 C GLU A 119 4.724 33.863 6.758 1.00 0.00 C ATOM 1804 O GLU A 119 5.569 32.971 6.714 1.00 0.00 O ATOM 1805 CB GLU A 119 5.137 36.006 7.854 1.00 0.00 C ATOM 1806 CG GLU A 119 5.803 37.381 7.779 1.00 0.00 C ATOM 1807 CD GLU A 119 4.817 38.490 7.441 1.00 0.00 C ATOM 1808 OE1 GLU A 119 3.933 38.728 8.307 1.00 0.00 O ATOM 1809 OE2 GLU A 119 4.716 38.965 6.278 1.00 0.00 O ATOM 0 H GLU A 119 3.942 36.856 5.879 1.00 0.00 H new ATOM 0 HA GLU A 119 6.080 35.249 6.019 1.00 0.00 H new ATOM 0 HB2 GLU A 119 4.119 36.121 8.225 1.00 0.00 H new ATOM 0 HB3 GLU A 119 5.671 35.388 8.576 1.00 0.00 H new ATOM 0 HG2 GLU A 119 6.280 37.602 8.734 1.00 0.00 H new ATOM 0 HG3 GLU A 119 6.591 37.359 7.026 1.00 0.00 H new ATOM 1816 N GLU A 120 3.415 33.609 6.937 1.00 0.00 N ATOM 1817 CA GLU A 120 2.901 32.281 7.065 1.00 0.00 C ATOM 1818 C GLU A 120 3.291 31.571 5.814 1.00 0.00 C ATOM 1819 O GLU A 120 3.936 30.530 5.922 1.00 0.00 O ATOM 1820 CB GLU A 120 1.391 32.316 7.358 1.00 0.00 C ATOM 1821 CG GLU A 120 0.713 31.040 7.861 1.00 0.00 C ATOM 1822 CD GLU A 120 1.305 30.343 9.077 1.00 0.00 C ATOM 1823 OE1 GLU A 120 1.904 31.043 9.937 1.00 0.00 O ATOM 1824 OE2 GLU A 120 1.123 29.107 9.245 1.00 0.00 O ATOM 0 H GLU A 120 2.703 34.337 6.994 1.00 0.00 H new ATOM 0 HA GLU A 120 3.315 31.735 7.913 1.00 0.00 H new ATOM 0 HB2 GLU A 120 1.215 33.098 8.097 1.00 0.00 H new ATOM 0 HB3 GLU A 120 0.883 32.622 6.443 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -0.325 31.282 8.089 1.00 0.00 H new ATOM 0 HG3 GLU A 120 0.701 30.324 7.040 1.00 0.00 H new ATOM 1831 N VAL A 121 3.030 32.051 4.585 1.00 0.00 N ATOM 1832 CA VAL A 121 3.363 31.413 3.350 1.00 0.00 C ATOM 1833 C VAL A 121 4.814 31.151 3.133 1.00 0.00 C ATOM 1834 O VAL A 121 5.263 30.092 2.697 1.00 0.00 O ATOM 1835 CB VAL A 121 2.730 32.156 2.210 1.00 0.00 C ATOM 1836 CG1 VAL A 121 3.416 32.091 0.835 1.00 0.00 C ATOM 1837 CG2 VAL A 121 1.319 31.579 2.005 1.00 0.00 C ATOM 0 H VAL A 121 2.555 32.943 4.446 1.00 0.00 H new ATOM 0 HA VAL A 121 2.944 30.408 3.404 1.00 0.00 H new ATOM 0 HB VAL A 121 2.787 33.201 2.516 1.00 0.00 H new ATOM 0 HG11 VAL A 121 2.843 32.675 0.115 1.00 0.00 H new ATOM 0 HG12 VAL A 121 4.424 32.498 0.912 1.00 0.00 H new ATOM 0 HG13 VAL A 121 3.467 31.054 0.503 1.00 0.00 H new ATOM 0 HG21 VAL A 121 0.830 32.099 1.181 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.391 30.516 1.773 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.735 31.713 2.916 1.00 0.00 H new ATOM 1847 N ASP A 122 5.657 32.100 3.576 1.00 0.00 N ATOM 1848 CA ASP A 122 7.085 32.016 3.585 1.00 0.00 C ATOM 1849 C ASP A 122 7.528 30.899 4.466 1.00 0.00 C ATOM 1850 O ASP A 122 8.459 30.143 4.198 1.00 0.00 O ATOM 1851 CB ASP A 122 7.753 33.339 3.994 1.00 0.00 C ATOM 1852 CG ASP A 122 9.251 33.480 3.765 1.00 0.00 C ATOM 1853 OD1 ASP A 122 9.727 33.016 2.694 1.00 0.00 O ATOM 1854 OD2 ASP A 122 10.014 33.807 4.713 1.00 0.00 O ATOM 0 H ASP A 122 5.318 32.985 3.953 1.00 0.00 H new ATOM 0 HA ASP A 122 7.405 31.812 2.563 1.00 0.00 H new ATOM 0 HB2 ASP A 122 7.255 34.146 3.456 1.00 0.00 H new ATOM 0 HB3 ASP A 122 7.560 33.497 5.055 1.00 0.00 H new ATOM 1859 N GLU A 123 6.860 30.640 5.605 1.00 0.00 N ATOM 1860 CA GLU A 123 7.144 29.590 6.533 1.00 0.00 C ATOM 1861 C GLU A 123 6.679 28.277 6.002 1.00 0.00 C ATOM 1862 O GLU A 123 7.394 27.290 6.166 1.00 0.00 O ATOM 1863 CB GLU A 123 6.361 29.779 7.843 1.00 0.00 C ATOM 1864 CG GLU A 123 7.149 29.267 9.049 1.00 0.00 C ATOM 1865 CD GLU A 123 8.464 30.022 9.182 1.00 0.00 C ATOM 1866 OE1 GLU A 123 8.542 31.124 9.787 1.00 0.00 O ATOM 1867 OE2 GLU A 123 9.490 29.390 8.815 1.00 0.00 O ATOM 0 H GLU A 123 6.064 31.207 5.897 1.00 0.00 H new ATOM 0 HA GLU A 123 8.222 29.615 6.695 1.00 0.00 H new ATOM 0 HB2 GLU A 123 6.130 30.835 7.980 1.00 0.00 H new ATOM 0 HB3 GLU A 123 5.410 29.251 7.778 1.00 0.00 H new ATOM 0 HG2 GLU A 123 6.558 29.390 9.957 1.00 0.00 H new ATOM 0 HG3 GLU A 123 7.344 28.200 8.938 1.00 0.00 H new ATOM 1874 N MET A 124 5.631 28.191 5.163 1.00 0.00 N ATOM 1875 CA MET A 124 5.091 27.046 4.500 1.00 0.00 C ATOM 1876 C MET A 124 5.991 26.593 3.403 1.00 0.00 C ATOM 1877 O MET A 124 6.316 25.416 3.254 1.00 0.00 O ATOM 1878 CB MET A 124 3.629 27.259 4.071 1.00 0.00 C ATOM 1879 CG MET A 124 2.575 27.362 5.175 1.00 0.00 C ATOM 1880 SD MET A 124 1.315 28.660 4.994 1.00 0.00 S ATOM 1881 CE MET A 124 0.349 27.819 3.707 1.00 0.00 C ATOM 0 H MET A 124 5.101 29.029 4.924 1.00 0.00 H new ATOM 0 HA MET A 124 5.050 26.223 5.214 1.00 0.00 H new ATOM 0 HB2 MET A 124 3.583 28.171 3.476 1.00 0.00 H new ATOM 0 HB3 MET A 124 3.348 26.436 3.414 1.00 0.00 H new ATOM 0 HG2 MET A 124 2.064 26.402 5.247 1.00 0.00 H new ATOM 0 HG3 MET A 124 3.091 27.520 6.122 1.00 0.00 H new ATOM 0 HE1 MET A 124 0.201 28.494 2.864 1.00 0.00 H new ATOM 0 HE2 MET A 124 0.885 26.931 3.372 1.00 0.00 H new ATOM 0 HE3 MET A 124 -0.620 27.526 4.112 1.00 0.00 H new ATOM 1891 N ILE A 125 6.509 27.548 2.611 1.00 0.00 N ATOM 1892 CA ILE A 125 7.418 27.328 1.529 1.00 0.00 C ATOM 1893 C ILE A 125 8.760 26.847 1.960 1.00 0.00 C ATOM 1894 O ILE A 125 9.387 25.984 1.347 1.00 0.00 O ATOM 1895 CB ILE A 125 7.632 28.635 0.825 1.00 0.00 C ATOM 1896 CG1 ILE A 125 6.372 29.153 0.111 1.00 0.00 C ATOM 1897 CG2 ILE A 125 8.863 28.645 -0.097 1.00 0.00 C ATOM 1898 CD1 ILE A 125 6.219 28.419 -1.220 1.00 0.00 C ATOM 0 H ILE A 125 6.279 28.534 2.734 1.00 0.00 H new ATOM 0 HA ILE A 125 6.971 26.560 0.898 1.00 0.00 H new ATOM 0 HB ILE A 125 7.849 29.345 1.623 1.00 0.00 H new ATOM 0 HG12 ILE A 125 5.492 28.991 0.734 1.00 0.00 H new ATOM 0 HG13 ILE A 125 6.449 30.227 -0.058 1.00 0.00 H new ATOM 0 HG21 ILE A 125 8.954 29.622 -0.572 1.00 0.00 H new ATOM 0 HG22 ILE A 125 9.759 28.442 0.490 1.00 0.00 H new ATOM 0 HG23 ILE A 125 8.750 27.878 -0.863 1.00 0.00 H new ATOM 0 HD11 ILE A 125 5.328 28.779 -1.734 1.00 0.00 H new ATOM 0 HD12 ILE A 125 7.096 28.604 -1.841 1.00 0.00 H new ATOM 0 HD13 ILE A 125 6.124 27.349 -1.036 1.00 0.00 H new ATOM 1910 N ARG A 126 9.234 27.300 3.135 1.00 0.00 N ATOM 1911 CA ARG A 126 10.426 26.885 3.808 1.00 0.00 C ATOM 1912 C ARG A 126 10.399 25.523 4.411 1.00 0.00 C ATOM 1913 O ARG A 126 11.400 24.807 4.396 1.00 0.00 O ATOM 1914 CB ARG A 126 10.846 27.933 4.853 1.00 0.00 C ATOM 1915 CG ARG A 126 12.203 27.636 5.495 1.00 0.00 C ATOM 1916 CD ARG A 126 12.456 28.616 6.643 1.00 0.00 C ATOM 1917 NE ARG A 126 12.706 29.986 6.112 1.00 0.00 N ATOM 1918 CZ ARG A 126 11.794 31.000 6.168 1.00 0.00 C ATOM 1919 NH1 ARG A 126 10.551 30.957 6.730 1.00 0.00 N ATOM 1920 NH2 ARG A 126 12.095 32.180 5.553 1.00 0.00 N ATOM 0 H ARG A 126 8.737 28.021 3.659 1.00 0.00 H new ATOM 0 HA ARG A 126 11.172 26.811 3.017 1.00 0.00 H new ATOM 0 HB2 ARG A 126 10.883 28.914 4.379 1.00 0.00 H new ATOM 0 HB3 ARG A 126 10.086 27.984 5.633 1.00 0.00 H new ATOM 0 HG2 ARG A 126 12.224 26.612 5.867 1.00 0.00 H new ATOM 0 HG3 ARG A 126 12.995 27.721 4.751 1.00 0.00 H new ATOM 0 HD2 ARG A 126 11.597 28.630 7.313 1.00 0.00 H new ATOM 0 HD3 ARG A 126 13.313 28.285 7.230 1.00 0.00 H new ATOM 0 HE ARG A 126 13.611 30.177 5.682 1.00 0.00 H new ATOM 0 HH11 ARG A 126 10.219 30.098 7.169 1.00 0.00 H new ATOM 0 HH12 ARG A 126 9.954 31.784 6.711 1.00 0.00 H new ATOM 0 HH21 ARG A 126 12.985 32.289 5.066 1.00 0.00 H new ATOM 0 HH22 ARG A 126 11.430 32.953 5.580 1.00 0.00 H new ATOM 1934 N GLU A 127 9.208 25.093 4.864 1.00 0.00 N ATOM 1935 CA GLU A 127 8.878 23.780 5.323 1.00 0.00 C ATOM 1936 C GLU A 127 8.776 22.758 4.243 1.00 0.00 C ATOM 1937 O GLU A 127 9.206 21.612 4.369 1.00 0.00 O ATOM 1938 CB GLU A 127 7.719 23.876 6.330 1.00 0.00 C ATOM 1939 CG GLU A 127 7.174 22.512 6.758 1.00 0.00 C ATOM 1940 CD GLU A 127 5.937 22.764 7.608 1.00 0.00 C ATOM 1941 OE1 GLU A 127 4.796 22.939 7.103 1.00 0.00 O ATOM 1942 OE2 GLU A 127 6.081 22.777 8.860 1.00 0.00 O ATOM 0 H GLU A 127 8.406 25.722 4.912 1.00 0.00 H new ATOM 0 HA GLU A 127 9.717 23.361 5.878 1.00 0.00 H new ATOM 0 HB2 GLU A 127 8.058 24.417 7.213 1.00 0.00 H new ATOM 0 HB3 GLU A 127 6.911 24.460 5.889 1.00 0.00 H new ATOM 0 HG2 GLU A 127 6.924 21.907 5.886 1.00 0.00 H new ATOM 0 HG3 GLU A 127 7.923 21.960 7.325 1.00 0.00 H new ATOM 1949 N ALA A 128 8.084 23.118 3.148 1.00 0.00 N ATOM 1950 CA ALA A 128 8.063 22.421 1.899 1.00 0.00 C ATOM 1951 C ALA A 128 9.365 22.185 1.214 1.00 0.00 C ATOM 1952 O ALA A 128 9.611 21.149 0.598 1.00 0.00 O ATOM 1953 CB ALA A 128 7.209 23.214 0.895 1.00 0.00 C ATOM 0 H ALA A 128 7.499 23.954 3.135 1.00 0.00 H new ATOM 0 HA ALA A 128 7.676 21.441 2.177 1.00 0.00 H new ATOM 0 HB1 ALA A 128 7.188 22.689 -0.060 1.00 0.00 H new ATOM 0 HB2 ALA A 128 6.193 23.311 1.278 1.00 0.00 H new ATOM 0 HB3 ALA A 128 7.640 24.205 0.754 1.00 0.00 H new ATOM 1959 N ASP A 129 10.391 23.033 1.403 1.00 0.00 N ATOM 1960 CA ASP A 129 11.538 23.034 0.549 1.00 0.00 C ATOM 1961 C ASP A 129 12.625 22.177 1.101 1.00 0.00 C ATOM 1962 O ASP A 129 13.026 22.288 2.259 1.00 0.00 O ATOM 1963 CB ASP A 129 12.108 24.443 0.317 1.00 0.00 C ATOM 1964 CG ASP A 129 13.271 24.438 -0.666 1.00 0.00 C ATOM 1965 OD1 ASP A 129 13.067 23.695 -1.663 1.00 0.00 O ATOM 1966 OD2 ASP A 129 14.304 25.137 -0.492 1.00 0.00 O ATOM 0 H ASP A 129 10.426 23.723 2.153 1.00 0.00 H new ATOM 0 HA ASP A 129 11.190 22.636 -0.404 1.00 0.00 H new ATOM 0 HB2 ASP A 129 11.319 25.095 -0.059 1.00 0.00 H new ATOM 0 HB3 ASP A 129 12.440 24.860 1.268 1.00 0.00 H new ATOM 1971 N ILE A 130 13.068 21.161 0.339 1.00 0.00 N ATOM 1972 CA ILE A 130 14.087 20.203 0.637 1.00 0.00 C ATOM 1973 C ILE A 130 15.390 20.797 0.224 1.00 0.00 C ATOM 1974 O ILE A 130 16.246 21.020 1.079 1.00 0.00 O ATOM 1975 CB ILE A 130 13.812 18.812 0.148 1.00 0.00 C ATOM 1976 CG1 ILE A 130 12.426 18.311 0.588 1.00 0.00 C ATOM 1977 CG2 ILE A 130 14.902 17.950 0.806 1.00 0.00 C ATOM 1978 CD1 ILE A 130 12.079 16.988 -0.094 1.00 0.00 C ATOM 0 H ILE A 130 12.667 20.996 -0.584 1.00 0.00 H new ATOM 0 HA ILE A 130 14.116 20.016 1.711 1.00 0.00 H new ATOM 0 HB ILE A 130 13.821 18.769 -0.941 1.00 0.00 H new ATOM 0 HG12 ILE A 130 12.409 18.182 1.670 1.00 0.00 H new ATOM 0 HG13 ILE A 130 11.671 19.059 0.344 1.00 0.00 H new ATOM 0 HG21 ILE A 130 14.777 16.911 0.502 1.00 0.00 H new ATOM 0 HG22 ILE A 130 15.884 18.304 0.493 1.00 0.00 H new ATOM 0 HG23 ILE A 130 14.819 18.023 1.890 1.00 0.00 H new ATOM 0 HD11 ILE A 130 11.094 16.656 0.235 1.00 0.00 H new ATOM 0 HD12 ILE A 130 12.073 17.127 -1.175 1.00 0.00 H new ATOM 0 HD13 ILE A 130 12.822 16.236 0.171 1.00 0.00 H new ATOM 1990 N ASP A 131 15.687 21.084 -1.055 1.00 0.00 N ATOM 1991 CA ASP A 131 16.950 21.434 -1.628 1.00 0.00 C ATOM 1992 C ASP A 131 17.484 22.706 -1.065 1.00 0.00 C ATOM 1993 O ASP A 131 18.235 22.795 -0.095 1.00 0.00 O ATOM 1994 CB ASP A 131 16.969 21.388 -3.165 1.00 0.00 C ATOM 1995 CG ASP A 131 15.809 22.127 -3.817 1.00 0.00 C ATOM 1996 OD1 ASP A 131 15.618 23.369 -3.731 1.00 0.00 O ATOM 1997 OD2 ASP A 131 15.038 21.422 -4.521 1.00 0.00 O ATOM 0 H ASP A 131 14.956 21.068 -1.767 1.00 0.00 H new ATOM 0 HA ASP A 131 17.644 20.649 -1.328 1.00 0.00 H new ATOM 0 HB2 ASP A 131 17.906 21.817 -3.520 1.00 0.00 H new ATOM 0 HB3 ASP A 131 16.952 20.347 -3.488 1.00 0.00 H new ATOM 2002 N GLY A 132 17.243 23.829 -1.766 1.00 0.00 N ATOM 2003 CA GLY A 132 17.619 25.127 -1.297 1.00 0.00 C ATOM 2004 C GLY A 132 17.415 26.325 -2.159 1.00 0.00 C ATOM 2005 O GLY A 132 17.879 27.442 -1.933 1.00 0.00 O ATOM 0 H GLY A 132 16.779 23.836 -2.674 1.00 0.00 H new ATOM 0 HA2 GLY A 132 17.079 25.303 -0.367 1.00 0.00 H new ATOM 0 HA3 GLY A 132 18.679 25.086 -1.047 1.00 0.00 H new ATOM 2009 N ASP A 133 16.622 26.156 -3.231 1.00 0.00 N ATOM 2010 CA ASP A 133 16.200 27.195 -4.118 1.00 0.00 C ATOM 2011 C ASP A 133 15.041 27.986 -3.617 1.00 0.00 C ATOM 2012 O ASP A 133 14.683 29.049 -4.121 1.00 0.00 O ATOM 2013 CB ASP A 133 15.915 26.642 -5.525 1.00 0.00 C ATOM 2014 CG ASP A 133 14.790 25.622 -5.626 1.00 0.00 C ATOM 2015 OD1 ASP A 133 14.037 25.364 -4.649 1.00 0.00 O ATOM 2016 OD2 ASP A 133 14.741 25.025 -6.734 1.00 0.00 O ATOM 0 H ASP A 133 16.254 25.242 -3.494 1.00 0.00 H new ATOM 0 HA ASP A 133 17.037 27.891 -4.171 1.00 0.00 H new ATOM 0 HB2 ASP A 133 15.680 27.479 -6.182 1.00 0.00 H new ATOM 0 HB3 ASP A 133 16.828 26.185 -5.906 1.00 0.00 H new ATOM 2021 N GLY A 134 14.302 27.449 -2.630 1.00 0.00 N ATOM 2022 CA GLY A 134 13.157 28.231 -2.280 1.00 0.00 C ATOM 2023 C GLY A 134 11.869 28.083 -3.013 1.00 0.00 C ATOM 2024 O GLY A 134 10.847 28.686 -2.687 1.00 0.00 O ATOM 0 H GLY A 134 14.465 26.578 -2.125 1.00 0.00 H new ATOM 0 HA2 GLY A 134 12.949 28.037 -1.228 1.00 0.00 H new ATOM 0 HA3 GLY A 134 13.450 29.278 -2.359 1.00 0.00 H new ATOM 2028 N GLN A 135 11.846 27.301 -4.108 1.00 0.00 N ATOM 2029 CA GLN A 135 10.674 26.881 -4.810 1.00 0.00 C ATOM 2030 C GLN A 135 10.391 25.472 -4.415 1.00 0.00 C ATOM 2031 O GLN A 135 11.201 24.699 -3.906 1.00 0.00 O ATOM 2032 CB GLN A 135 10.867 26.812 -6.334 1.00 0.00 C ATOM 2033 CG GLN A 135 11.331 28.161 -6.887 1.00 0.00 C ATOM 2034 CD GLN A 135 11.057 28.296 -8.378 1.00 0.00 C ATOM 2035 OE1 GLN A 135 10.215 29.074 -8.822 1.00 0.00 O ATOM 2036 NE2 GLN A 135 11.668 27.386 -9.183 1.00 0.00 N ATOM 0 H GLN A 135 12.702 26.940 -4.529 1.00 0.00 H new ATOM 0 HA GLN A 135 9.893 27.601 -4.567 1.00 0.00 H new ATOM 0 HB2 GLN A 135 11.600 26.043 -6.577 1.00 0.00 H new ATOM 0 HB3 GLN A 135 9.931 26.522 -6.810 1.00 0.00 H new ATOM 0 HG2 GLN A 135 10.825 28.965 -6.352 1.00 0.00 H new ATOM 0 HG3 GLN A 135 12.399 28.279 -6.703 1.00 0.00 H new ATOM 0 HE21 GLN A 135 12.364 26.749 -8.796 1.00 0.00 H new ATOM 0 HE22 GLN A 135 11.430 27.341 -10.174 1.00 0.00 H new ATOM 2045 N VAL A 136 9.122 25.049 -4.560 1.00 0.00 N ATOM 2046 CA VAL A 136 8.691 23.720 -4.254 1.00 0.00 C ATOM 2047 C VAL A 136 8.614 22.973 -5.541 1.00 0.00 C ATOM 2048 O VAL A 136 7.969 23.415 -6.491 1.00 0.00 O ATOM 2049 CB VAL A 136 7.438 23.898 -3.448 1.00 0.00 C ATOM 2050 CG1 VAL A 136 7.263 22.497 -2.839 1.00 0.00 C ATOM 2051 CG2 VAL A 136 7.471 24.964 -2.340 1.00 0.00 C ATOM 0 H VAL A 136 8.372 25.651 -4.901 1.00 0.00 H new ATOM 0 HA VAL A 136 9.351 23.103 -3.644 1.00 0.00 H new ATOM 0 HB VAL A 136 6.629 24.265 -4.079 1.00 0.00 H new ATOM 0 HG11 VAL A 136 6.370 22.481 -2.215 1.00 0.00 H new ATOM 0 HG12 VAL A 136 7.160 21.763 -3.638 1.00 0.00 H new ATOM 0 HG13 VAL A 136 8.135 22.253 -2.232 1.00 0.00 H new ATOM 0 HG21 VAL A 136 6.506 24.993 -1.834 1.00 0.00 H new ATOM 0 HG22 VAL A 136 8.251 24.717 -1.620 1.00 0.00 H new ATOM 0 HG23 VAL A 136 7.679 25.939 -2.780 1.00 0.00 H new ATOM 2061 N ASN A 137 9.370 21.871 -5.689 1.00 0.00 N ATOM 2062 CA ASN A 137 9.447 20.999 -6.820 1.00 0.00 C ATOM 2063 C ASN A 137 8.465 19.904 -6.582 1.00 0.00 C ATOM 2064 O ASN A 137 7.823 19.829 -5.536 1.00 0.00 O ATOM 2065 CB ASN A 137 10.901 20.542 -7.025 1.00 0.00 C ATOM 2066 CG ASN A 137 11.275 19.761 -8.277 1.00 0.00 C ATOM 2067 OD1 ASN A 137 10.434 19.385 -9.092 1.00 0.00 O ATOM 2068 ND2 ASN A 137 12.582 19.487 -8.535 1.00 0.00 N ATOM 0 H ASN A 137 9.989 21.562 -4.940 1.00 0.00 H new ATOM 0 HA ASN A 137 9.180 21.484 -7.759 1.00 0.00 H new ATOM 0 HB2 ASN A 137 11.530 21.432 -6.996 1.00 0.00 H new ATOM 0 HB3 ASN A 137 11.175 19.930 -6.165 1.00 0.00 H new ATOM 0 HD21 ASN A 137 12.840 18.984 -9.384 1.00 0.00 H new ATOM 0 HD22 ASN A 137 13.305 19.785 -7.880 1.00 0.00 H new ATOM 2075 N TYR A 138 8.270 18.937 -7.497 1.00 0.00 N ATOM 2076 CA TYR A 138 7.268 17.925 -7.367 1.00 0.00 C ATOM 2077 C TYR A 138 7.474 17.119 -6.130 1.00 0.00 C ATOM 2078 O TYR A 138 6.587 17.047 -5.280 1.00 0.00 O ATOM 2079 CB TYR A 138 7.376 16.953 -8.554 1.00 0.00 C ATOM 2080 CG TYR A 138 6.208 16.051 -8.763 1.00 0.00 C ATOM 2081 CD1 TYR A 138 5.074 16.636 -9.274 1.00 0.00 C ATOM 2082 CD2 TYR A 138 6.272 14.725 -8.406 1.00 0.00 C ATOM 2083 CE1 TYR A 138 3.964 15.841 -9.442 1.00 0.00 C ATOM 2084 CE2 TYR A 138 5.184 13.906 -8.596 1.00 0.00 C ATOM 2085 CZ TYR A 138 4.092 14.496 -9.188 1.00 0.00 C ATOM 2086 OH TYR A 138 2.982 13.640 -9.344 1.00 0.00 O ATOM 0 H TYR A 138 8.824 18.857 -8.350 1.00 0.00 H new ATOM 0 HA TYR A 138 6.298 18.421 -7.332 1.00 0.00 H new ATOM 0 HB2 TYR A 138 7.529 17.535 -9.463 1.00 0.00 H new ATOM 0 HB3 TYR A 138 8.265 16.338 -8.416 1.00 0.00 H new ATOM 0 HD1 TYR A 138 5.055 17.684 -9.535 1.00 0.00 H new ATOM 0 HD2 TYR A 138 7.179 14.326 -7.976 1.00 0.00 H new ATOM 0 HE1 TYR A 138 3.022 16.260 -9.763 1.00 0.00 H new ATOM 0 HE2 TYR A 138 5.187 12.867 -8.300 1.00 0.00 H new ATOM 0 HH TYR A 138 3.244 12.721 -9.125 1.00 0.00 H new ATOM 2096 N GLU A 139 8.638 16.505 -5.853 1.00 0.00 N ATOM 2097 CA GLU A 139 8.764 15.633 -4.727 1.00 0.00 C ATOM 2098 C GLU A 139 8.586 16.327 -3.420 1.00 0.00 C ATOM 2099 O GLU A 139 7.861 15.863 -2.542 1.00 0.00 O ATOM 2100 CB GLU A 139 10.158 14.988 -4.803 1.00 0.00 C ATOM 2101 CG GLU A 139 10.202 13.642 -4.076 1.00 0.00 C ATOM 2102 CD GLU A 139 9.790 12.564 -5.068 1.00 0.00 C ATOM 2103 OE1 GLU A 139 8.707 12.645 -5.707 1.00 0.00 O ATOM 2104 OE2 GLU A 139 10.598 11.610 -5.226 1.00 0.00 O ATOM 0 H GLU A 139 9.488 16.612 -6.406 1.00 0.00 H new ATOM 0 HA GLU A 139 7.970 14.888 -4.772 1.00 0.00 H new ATOM 0 HB2 GLU A 139 10.436 14.846 -5.847 1.00 0.00 H new ATOM 0 HB3 GLU A 139 10.895 15.662 -4.365 1.00 0.00 H new ATOM 0 HG2 GLU A 139 11.204 13.447 -3.694 1.00 0.00 H new ATOM 0 HG3 GLU A 139 9.530 13.649 -3.218 1.00 0.00 H new ATOM 2111 N GLU A 140 9.149 17.538 -3.262 1.00 0.00 N ATOM 2112 CA GLU A 140 8.857 18.488 -2.234 1.00 0.00 C ATOM 2113 C GLU A 140 7.422 18.731 -1.914 1.00 0.00 C ATOM 2114 O GLU A 140 7.051 18.748 -0.742 1.00 0.00 O ATOM 2115 CB GLU A 140 9.532 19.794 -2.686 1.00 0.00 C ATOM 2116 CG GLU A 140 10.937 19.476 -3.201 1.00 0.00 C ATOM 2117 CD GLU A 140 11.821 20.713 -3.132 1.00 0.00 C ATOM 2118 OE1 GLU A 140 11.502 21.634 -3.931 1.00 0.00 O ATOM 2119 OE2 GLU A 140 12.865 20.898 -2.451 1.00 0.00 O ATOM 0 H GLU A 140 9.865 17.878 -3.904 1.00 0.00 H new ATOM 0 HA GLU A 140 9.233 18.079 -1.296 1.00 0.00 H new ATOM 0 HB2 GLU A 140 8.943 20.271 -3.469 1.00 0.00 H new ATOM 0 HB3 GLU A 140 9.586 20.497 -1.855 1.00 0.00 H new ATOM 0 HG2 GLU A 140 11.376 18.674 -2.607 1.00 0.00 H new ATOM 0 HG3 GLU A 140 10.882 19.118 -4.229 1.00 0.00 H new ATOM 2126 N PHE A 141 6.473 18.834 -2.862 1.00 0.00 N ATOM 2127 CA PHE A 141 5.064 18.999 -2.687 1.00 0.00 C ATOM 2128 C PHE A 141 4.323 17.795 -2.214 1.00 0.00 C ATOM 2129 O PHE A 141 3.429 17.853 -1.371 1.00 0.00 O ATOM 2130 CB PHE A 141 4.522 19.458 -4.051 1.00 0.00 C ATOM 2131 CG PHE A 141 3.095 19.887 -4.035 1.00 0.00 C ATOM 2132 CD1 PHE A 141 2.657 21.012 -3.379 1.00 0.00 C ATOM 2133 CD2 PHE A 141 2.130 19.176 -4.710 1.00 0.00 C ATOM 2134 CE1 PHE A 141 1.347 21.423 -3.464 1.00 0.00 C ATOM 2135 CE2 PHE A 141 0.824 19.596 -4.803 1.00 0.00 C ATOM 2136 CZ PHE A 141 0.400 20.760 -4.207 1.00 0.00 C ATOM 0 H PHE A 141 6.721 18.798 -3.851 1.00 0.00 H new ATOM 0 HA PHE A 141 4.906 19.722 -1.886 1.00 0.00 H new ATOM 0 HB2 PHE A 141 5.133 20.286 -4.411 1.00 0.00 H new ATOM 0 HB3 PHE A 141 4.636 18.643 -4.766 1.00 0.00 H new ATOM 0 HD1 PHE A 141 3.354 21.584 -2.785 1.00 0.00 H new ATOM 0 HD2 PHE A 141 2.410 18.248 -5.187 1.00 0.00 H new ATOM 0 HE1 PHE A 141 1.049 22.308 -2.922 1.00 0.00 H new ATOM 0 HE2 PHE A 141 0.115 18.998 -5.357 1.00 0.00 H new ATOM 0 HZ PHE A 141 -0.609 21.129 -4.315 1.00 0.00 H new ATOM 2146 N VAL A 142 4.576 16.661 -2.892 1.00 0.00 N ATOM 2147 CA VAL A 142 4.021 15.358 -2.697 1.00 0.00 C ATOM 2148 C VAL A 142 4.341 14.825 -1.343 1.00 0.00 C ATOM 2149 O VAL A 142 3.478 14.338 -0.615 1.00 0.00 O ATOM 2150 CB VAL A 142 4.335 14.464 -3.860 1.00 0.00 C ATOM 2151 CG1 VAL A 142 3.586 13.131 -3.699 1.00 0.00 C ATOM 2152 CG2 VAL A 142 3.942 15.176 -5.166 1.00 0.00 C ATOM 0 H VAL A 142 5.245 16.661 -3.662 1.00 0.00 H new ATOM 0 HA VAL A 142 2.932 15.415 -2.693 1.00 0.00 H new ATOM 0 HB VAL A 142 5.403 14.249 -3.895 1.00 0.00 H new ATOM 0 HG11 VAL A 142 3.814 12.481 -4.544 1.00 0.00 H new ATOM 0 HG12 VAL A 142 3.899 12.647 -2.774 1.00 0.00 H new ATOM 0 HG13 VAL A 142 2.513 13.319 -3.665 1.00 0.00 H new ATOM 0 HG21 VAL A 142 4.168 14.530 -6.015 1.00 0.00 H new ATOM 0 HG22 VAL A 142 2.875 15.397 -5.153 1.00 0.00 H new ATOM 0 HG23 VAL A 142 4.504 16.105 -5.257 1.00 0.00 H new ATOM 2162 N GLN A 143 5.607 14.901 -0.895 1.00 0.00 N ATOM 2163 CA GLN A 143 5.969 14.431 0.406 1.00 0.00 C ATOM 2164 C GLN A 143 5.357 15.315 1.437 1.00 0.00 C ATOM 2165 O GLN A 143 4.942 14.819 2.484 1.00 0.00 O ATOM 2166 CB GLN A 143 7.497 14.299 0.526 1.00 0.00 C ATOM 2167 CG GLN A 143 7.987 13.225 -0.448 1.00 0.00 C ATOM 2168 CD GLN A 143 9.292 12.560 -0.035 1.00 0.00 C ATOM 2169 OE1 GLN A 143 10.420 13.048 0.024 1.00 0.00 O ATOM 2170 NE2 GLN A 143 9.235 11.237 0.277 1.00 0.00 N ATOM 0 H GLN A 143 6.381 15.289 -1.435 1.00 0.00 H new ATOM 0 HA GLN A 143 5.574 13.429 0.573 1.00 0.00 H new ATOM 0 HB2 GLN A 143 7.975 15.253 0.305 1.00 0.00 H new ATOM 0 HB3 GLN A 143 7.772 14.034 1.547 1.00 0.00 H new ATOM 0 HG2 GLN A 143 7.217 12.460 -0.546 1.00 0.00 H new ATOM 0 HG3 GLN A 143 8.116 13.674 -1.433 1.00 0.00 H new ATOM 0 HE21 GLN A 143 8.341 10.746 0.256 1.00 0.00 H new ATOM 0 HE22 GLN A 143 10.086 10.736 0.532 1.00 0.00 H new ATOM 2179 N MET A 144 5.203 16.617 1.137 1.00 0.00 N ATOM 2180 CA MET A 144 4.539 17.573 1.968 1.00 0.00 C ATOM 2181 C MET A 144 3.091 17.358 2.245 1.00 0.00 C ATOM 2182 O MET A 144 2.542 17.383 3.345 1.00 0.00 O ATOM 2183 CB MET A 144 4.680 19.015 1.454 1.00 0.00 C ATOM 2184 CG MET A 144 3.699 19.989 2.108 1.00 0.00 C ATOM 2185 SD MET A 144 4.086 21.741 1.815 1.00 0.00 S ATOM 2186 CE MET A 144 3.987 21.848 0.005 1.00 0.00 C ATOM 0 H MET A 144 5.559 17.023 0.272 1.00 0.00 H new ATOM 0 HA MET A 144 5.073 17.412 2.905 1.00 0.00 H new ATOM 0 HB2 MET A 144 5.698 19.360 1.634 1.00 0.00 H new ATOM 0 HB3 MET A 144 4.527 19.025 0.375 1.00 0.00 H new ATOM 0 HG2 MET A 144 2.696 19.782 1.735 1.00 0.00 H new ATOM 0 HG3 MET A 144 3.684 19.806 3.182 1.00 0.00 H new ATOM 0 HE1 MET A 144 3.758 22.873 -0.287 1.00 0.00 H new ATOM 0 HE2 MET A 144 4.941 21.551 -0.430 1.00 0.00 H new ATOM 0 HE3 MET A 144 3.202 21.184 -0.356 1.00 0.00 H new ATOM 2196 N MET A 145 2.382 16.875 1.208 1.00 0.00 N ATOM 2197 CA MET A 145 1.045 16.373 1.281 1.00 0.00 C ATOM 2198 C MET A 145 0.997 15.124 2.094 1.00 0.00 C ATOM 2199 O MET A 145 0.076 14.963 2.893 1.00 0.00 O ATOM 2200 CB MET A 145 0.441 16.208 -0.124 1.00 0.00 C ATOM 2201 CG MET A 145 0.190 17.521 -0.867 1.00 0.00 C ATOM 2202 SD MET A 145 -0.602 17.423 -2.501 1.00 0.00 S ATOM 2203 CE MET A 145 0.493 16.405 -3.532 1.00 0.00 C ATOM 0 H MET A 145 2.766 16.833 0.264 1.00 0.00 H new ATOM 0 HA MET A 145 0.419 17.102 1.796 1.00 0.00 H new ATOM 0 HB2 MET A 145 1.110 15.589 -0.722 1.00 0.00 H new ATOM 0 HB3 MET A 145 -0.502 15.668 -0.039 1.00 0.00 H new ATOM 0 HG2 MET A 145 -0.428 18.154 -0.231 1.00 0.00 H new ATOM 0 HG3 MET A 145 1.147 18.028 -0.987 1.00 0.00 H new ATOM 0 HE1 MET A 145 0.165 16.455 -4.570 1.00 0.00 H new ATOM 0 HE2 MET A 145 1.515 16.777 -3.456 1.00 0.00 H new ATOM 0 HE3 MET A 145 0.457 15.371 -3.190 1.00 0.00 H new