USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=23 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 109 MET CE :methyl 171:sc= -0.0723 (180deg=-0.272) USER MOD Set 1.2: A 124 MET CE :methyl -174:sc=-0.00625 (180deg=-0.0079) USER MOD Set 2.1: A 94 LYS NZ :NH3+ -162:sc= 0.959 (180deg=0) USER MOD Set 2.2: A 107 HIS : no HE2:sc= 0.748 K(o=1.7,f=-2.1) USER MOD Set 3.1: A 36 MET CE :methyl -172:sc=-0.00585 (180deg=0) USER MOD Set 3.2: A 41 GLN : amide:sc= -0.0109 X(o=-0.017,f=-0.051) USER MOD Set 3.3: A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 26 THR OG1 : rot -25:sc= 0.813 USER MOD Set 4.2: A 62 THR OG1 : rot 138:sc= 0.559 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0547 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.6) 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 -59:sc= 0.518 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 75:sc= 0.778 USER MOD Single : A 38 SER OG : rot 75:sc= 0.0169 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot -70:sc= 0.981 USER MOD Single : A 49 GLN : amide:sc= -0.0588 X(o=-0.059,f=0) USER MOD Single : A 53 ASN : amide:sc= -0.0231 X(o=-0.023,f=-0.023) USER MOD Single : A 60 ASN : amide:sc= 0.0432 K(o=0.043,f=-3.2!) USER MOD Single : A 70 THR OG1 : rot 67:sc= 0.517 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl -169:sc= 0 (180deg=-0.0362) USER MOD Single : A 97 ASN : amide:sc= 0.322 K(o=0.32,f=-2.1!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -59:sc= 1.23 USER MOD Single : A 110 THR OG1 : rot 13:sc= 0.276 USER MOD Single : A 111 ASN : amide:sc= -0.2 X(o=-0.2,f=-0.039) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -63:sc= 0.746 USER MOD Single : A 135 GLN : amide:sc= 0.128 K(o=0.13,f=-0.84) USER MOD Single : A 137 ASN : amide:sc= 0.0984 K(o=0.098,f=-6.4!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.0249 K(o=-0.025,f=-1.4) USER MOD Single : A 144 MET CE :methyl 164:sc= 0 (180deg=-0.152) USER MOD Single : A 145 MET CE :methyl 172:sc= -0.0445 (180deg=-0.178) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -11.813 16.450 0.699 1.00 0.00 N ATOM 59 CA THR A 5 -12.504 17.427 -0.085 1.00 0.00 C ATOM 60 C THR A 5 -13.890 16.979 -0.396 1.00 0.00 C ATOM 61 O THR A 5 -14.153 15.778 -0.415 1.00 0.00 O ATOM 62 CB THR A 5 -11.776 17.759 -1.353 1.00 0.00 C ATOM 63 OG1 THR A 5 -11.735 16.689 -2.286 1.00 0.00 O ATOM 64 CG2 THR A 5 -10.281 18.100 -1.223 1.00 0.00 C ATOM 0 HA THR A 5 -12.549 18.334 0.518 1.00 0.00 H new ATOM 0 HB THR A 5 -12.365 18.621 -1.666 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.249 16.973 -3.088 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.871 18.321 -2.209 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.161 18.970 -0.577 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.750 17.251 -0.791 1.00 0.00 H new ATOM 72 N GLU A 6 -14.808 17.924 -0.668 1.00 0.00 N ATOM 73 CA GLU A 6 -16.140 17.777 -1.168 1.00 0.00 C ATOM 74 C GLU A 6 -16.165 16.871 -2.351 1.00 0.00 C ATOM 75 O GLU A 6 -17.087 16.068 -2.478 1.00 0.00 O ATOM 76 CB GLU A 6 -16.738 19.145 -1.538 1.00 0.00 C ATOM 77 CG GLU A 6 -18.265 19.094 -1.606 1.00 0.00 C ATOM 78 CD GLU A 6 -18.958 19.142 -0.251 1.00 0.00 C ATOM 79 OE1 GLU A 6 -18.936 20.251 0.346 1.00 0.00 O ATOM 80 OE2 GLU A 6 -19.442 18.104 0.275 1.00 0.00 O ATOM 0 H GLU A 6 -14.586 18.908 -0.518 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.746 17.334 -0.378 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -16.431 19.888 -0.802 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -16.341 19.467 -2.501 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -18.618 19.930 -2.210 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -18.563 18.181 -2.121 1.00 0.00 H new ATOM 87 N GLU A 7 -15.307 17.086 -3.364 1.00 0.00 N ATOM 88 CA GLU A 7 -15.319 16.354 -4.592 1.00 0.00 C ATOM 89 C GLU A 7 -14.833 14.951 -4.472 1.00 0.00 C ATOM 90 O GLU A 7 -15.529 14.074 -4.982 1.00 0.00 O ATOM 91 CB GLU A 7 -14.346 17.017 -5.582 1.00 0.00 C ATOM 92 CG GLU A 7 -14.836 18.399 -6.020 1.00 0.00 C ATOM 93 CD GLU A 7 -13.824 19.118 -6.901 1.00 0.00 C ATOM 94 OE1 GLU A 7 -13.730 18.706 -8.088 1.00 0.00 O ATOM 95 OE2 GLU A 7 -13.312 20.202 -6.512 1.00 0.00 O ATOM 0 H GLU A 7 -14.577 17.797 -3.326 1.00 0.00 H new ATOM 0 HA GLU A 7 -16.361 16.353 -4.911 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.363 17.109 -5.119 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.227 16.379 -6.458 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.776 18.294 -6.562 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -15.042 19.005 -5.138 1.00 0.00 H new ATOM 102 N GLN A 8 -13.810 14.560 -3.691 1.00 0.00 N ATOM 103 CA GLN A 8 -13.534 13.180 -3.436 1.00 0.00 C ATOM 104 C GLN A 8 -14.641 12.467 -2.740 1.00 0.00 C ATOM 105 O GLN A 8 -14.892 11.318 -3.101 1.00 0.00 O ATOM 106 CB GLN A 8 -12.247 13.035 -2.606 1.00 0.00 C ATOM 107 CG GLN A 8 -11.011 13.359 -3.446 1.00 0.00 C ATOM 108 CD GLN A 8 -9.745 13.115 -2.636 1.00 0.00 C ATOM 109 OE1 GLN A 8 -9.730 12.714 -1.474 1.00 0.00 O ATOM 110 NE2 GLN A 8 -8.626 13.484 -3.315 1.00 0.00 N ATOM 0 H GLN A 8 -13.168 15.207 -3.232 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.416 12.717 -4.416 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.289 13.701 -1.744 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.172 12.018 -2.220 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.001 12.742 -4.344 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.047 14.398 -3.773 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -8.698 13.809 -4.279 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -7.714 13.435 -2.860 1.00 0.00 H new ATOM 119 N ILE A 9 -15.393 13.129 -1.843 1.00 0.00 N ATOM 120 CA ILE A 9 -16.544 12.578 -1.197 1.00 0.00 C ATOM 121 C ILE A 9 -17.693 12.314 -2.108 1.00 0.00 C ATOM 122 O ILE A 9 -18.432 11.333 -2.048 1.00 0.00 O ATOM 123 CB ILE A 9 -16.875 13.411 0.006 1.00 0.00 C ATOM 124 CG1 ILE A 9 -15.729 13.309 1.026 1.00 0.00 C ATOM 125 CG2 ILE A 9 -18.157 12.900 0.686 1.00 0.00 C ATOM 126 CD1 ILE A 9 -15.967 14.307 2.158 1.00 0.00 C ATOM 0 H ILE A 9 -15.191 14.087 -1.556 1.00 0.00 H new ATOM 0 HA ILE A 9 -16.298 11.573 -0.853 1.00 0.00 H new ATOM 0 HB ILE A 9 -17.018 14.441 -0.322 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -15.672 12.296 1.425 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -14.775 13.514 0.540 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -18.379 13.518 1.556 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -18.988 12.952 -0.018 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -18.014 11.867 1.002 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.155 14.236 2.882 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -16.003 15.317 1.751 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -16.913 14.080 2.650 1.00 0.00 H new ATOM 138 N ALA A 10 -17.903 13.186 -3.110 1.00 0.00 N ATOM 139 CA ALA A 10 -18.845 13.143 -4.186 1.00 0.00 C ATOM 140 C ALA A 10 -18.506 12.196 -5.285 1.00 0.00 C ATOM 141 O ALA A 10 -19.410 11.559 -5.824 1.00 0.00 O ATOM 142 CB ALA A 10 -18.920 14.544 -4.815 1.00 0.00 C ATOM 0 H ALA A 10 -17.335 14.031 -3.169 1.00 0.00 H new ATOM 0 HA ALA A 10 -19.781 12.801 -3.745 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -19.633 14.535 -5.639 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -19.243 15.264 -4.063 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -17.937 14.828 -5.190 1.00 0.00 H new ATOM 148 N GLU A 11 -17.199 11.893 -5.381 1.00 0.00 N ATOM 149 CA GLU A 11 -16.681 10.755 -6.076 1.00 0.00 C ATOM 150 C GLU A 11 -16.976 9.485 -5.355 1.00 0.00 C ATOM 151 O GLU A 11 -17.408 8.501 -5.952 1.00 0.00 O ATOM 152 CB GLU A 11 -15.197 10.812 -6.473 1.00 0.00 C ATOM 153 CG GLU A 11 -14.682 11.946 -7.363 1.00 0.00 C ATOM 154 CD GLU A 11 -14.886 11.650 -8.841 1.00 0.00 C ATOM 155 OE1 GLU A 11 -14.131 10.787 -9.365 1.00 0.00 O ATOM 156 OE2 GLU A 11 -15.803 12.254 -9.459 1.00 0.00 O ATOM 0 H GLU A 11 -16.471 12.467 -4.955 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.220 10.781 -7.023 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -14.616 10.835 -5.551 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.960 9.874 -6.975 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -15.197 12.871 -7.105 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.621 12.106 -7.169 1.00 0.00 H new ATOM 163 N PHE A 12 -16.875 9.432 -4.014 1.00 0.00 N ATOM 164 CA PHE A 12 -17.264 8.293 -3.241 1.00 0.00 C ATOM 165 C PHE A 12 -18.730 8.054 -3.356 1.00 0.00 C ATOM 166 O PHE A 12 -19.133 6.892 -3.375 1.00 0.00 O ATOM 167 CB PHE A 12 -16.910 8.330 -1.745 1.00 0.00 C ATOM 168 CG PHE A 12 -15.479 8.554 -1.397 1.00 0.00 C ATOM 169 CD1 PHE A 12 -14.475 8.265 -2.291 1.00 0.00 C ATOM 170 CD2 PHE A 12 -15.222 8.958 -0.108 1.00 0.00 C ATOM 171 CE1 PHE A 12 -13.182 8.326 -1.825 1.00 0.00 C ATOM 172 CE2 PHE A 12 -13.920 8.955 0.334 1.00 0.00 C ATOM 173 CZ PHE A 12 -12.892 8.609 -0.511 1.00 0.00 C ATOM 0 H PHE A 12 -16.513 10.202 -3.452 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.674 7.486 -3.676 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -17.501 9.117 -1.276 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -17.224 7.387 -1.298 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.692 8.001 -3.316 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -16.025 9.271 0.543 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.369 8.146 -2.513 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -13.702 9.227 1.356 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.876 8.560 -0.149 1.00 0.00 H new ATOM 183 N LYS A 13 -19.580 9.096 -3.329 1.00 0.00 N ATOM 184 CA LYS A 13 -20.999 8.924 -3.369 1.00 0.00 C ATOM 185 C LYS A 13 -21.441 8.389 -4.687 1.00 0.00 C ATOM 186 O LYS A 13 -22.222 7.443 -4.772 1.00 0.00 O ATOM 187 CB LYS A 13 -21.694 10.250 -3.017 1.00 0.00 C ATOM 188 CG LYS A 13 -23.219 10.209 -2.903 1.00 0.00 C ATOM 189 CD LYS A 13 -23.799 11.466 -2.252 1.00 0.00 C ATOM 190 CE LYS A 13 -23.652 12.815 -2.959 1.00 0.00 C ATOM 191 NZ LYS A 13 -24.175 12.773 -4.343 1.00 0.00 N ATOM 0 H LYS A 13 -19.279 10.069 -3.279 1.00 0.00 H new ATOM 0 HA LYS A 13 -21.288 8.184 -2.623 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -21.290 10.607 -2.069 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -21.428 10.987 -3.775 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -23.650 10.088 -3.897 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -23.512 9.336 -2.320 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -24.864 11.292 -2.097 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -23.345 11.563 -1.266 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -24.183 13.581 -2.394 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -22.601 13.103 -2.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -24.057 13.706 -4.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -23.652 12.060 -4.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -25.184 12.523 -4.325 1.00 0.00 H new ATOM 205 N GLU A 14 -20.807 8.805 -5.799 1.00 0.00 N ATOM 206 CA GLU A 14 -21.008 8.208 -7.082 1.00 0.00 C ATOM 207 C GLU A 14 -20.645 6.768 -7.208 1.00 0.00 C ATOM 208 O GLU A 14 -21.452 5.964 -7.672 1.00 0.00 O ATOM 209 CB GLU A 14 -20.217 9.123 -8.033 1.00 0.00 C ATOM 210 CG GLU A 14 -20.288 8.778 -9.522 1.00 0.00 C ATOM 211 CD GLU A 14 -19.375 9.570 -10.447 1.00 0.00 C ATOM 212 OE1 GLU A 14 -18.188 9.192 -10.634 1.00 0.00 O ATOM 213 OE2 GLU A 14 -19.822 10.597 -11.024 1.00 0.00 O ATOM 0 H GLU A 14 -20.138 9.575 -5.805 1.00 0.00 H new ATOM 0 HA GLU A 14 -22.072 8.153 -7.313 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -20.575 10.144 -7.901 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -19.170 9.110 -7.728 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -20.056 7.719 -9.638 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -21.316 8.918 -9.856 1.00 0.00 H new ATOM 220 N ALA A 15 -19.493 6.394 -6.623 1.00 0.00 N ATOM 221 CA ALA A 15 -18.967 5.068 -6.515 1.00 0.00 C ATOM 222 C ALA A 15 -19.869 4.161 -5.751 1.00 0.00 C ATOM 223 O ALA A 15 -19.951 3.023 -6.210 1.00 0.00 O ATOM 224 CB ALA A 15 -17.565 5.143 -5.886 1.00 0.00 C ATOM 0 H ALA A 15 -18.877 7.081 -6.188 1.00 0.00 H new ATOM 0 HA ALA A 15 -18.894 4.635 -7.513 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -17.152 4.138 -5.798 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.915 5.749 -6.517 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.634 5.595 -4.897 1.00 0.00 H new ATOM 230 N PHE A 16 -20.512 4.647 -4.675 1.00 0.00 N ATOM 231 CA PHE A 16 -21.313 3.798 -3.848 1.00 0.00 C ATOM 232 C PHE A 16 -22.431 3.210 -4.638 1.00 0.00 C ATOM 233 O PHE A 16 -22.636 1.999 -4.577 1.00 0.00 O ATOM 234 CB PHE A 16 -21.843 4.700 -2.720 1.00 0.00 C ATOM 235 CG PHE A 16 -22.346 3.867 -1.592 1.00 0.00 C ATOM 236 CD1 PHE A 16 -23.502 3.152 -1.802 1.00 0.00 C ATOM 237 CD2 PHE A 16 -21.585 3.551 -0.491 1.00 0.00 C ATOM 238 CE1 PHE A 16 -24.007 2.312 -0.838 1.00 0.00 C ATOM 239 CE2 PHE A 16 -22.001 2.640 0.451 1.00 0.00 C ATOM 240 CZ PHE A 16 -23.242 2.073 0.280 1.00 0.00 C ATOM 0 H PHE A 16 -20.478 5.622 -4.378 1.00 0.00 H new ATOM 0 HA PHE A 16 -20.742 2.960 -3.448 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -21.050 5.361 -2.369 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -22.644 5.336 -3.098 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -24.023 3.252 -2.743 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -20.628 4.035 -0.362 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -24.977 1.853 -0.955 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -21.377 2.380 1.293 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.628 1.419 1.048 1.00 0.00 H new ATOM 250 N SER A 17 -23.067 3.956 -5.558 1.00 0.00 N ATOM 251 CA SER A 17 -24.147 3.508 -6.382 1.00 0.00 C ATOM 252 C SER A 17 -23.721 2.717 -7.571 1.00 0.00 C ATOM 253 O SER A 17 -24.524 2.119 -8.286 1.00 0.00 O ATOM 254 CB SER A 17 -25.052 4.600 -6.977 1.00 0.00 C ATOM 255 OG SER A 17 -25.641 5.499 -6.049 1.00 0.00 O ATOM 0 H SER A 17 -22.813 4.927 -5.737 1.00 0.00 H new ATOM 0 HA SER A 17 -24.692 2.914 -5.648 1.00 0.00 H new ATOM 0 HB2 SER A 17 -24.466 5.179 -7.691 1.00 0.00 H new ATOM 0 HB3 SER A 17 -25.850 4.115 -7.539 1.00 0.00 H new ATOM 0 HG SER A 17 -26.193 6.151 -6.530 1.00 0.00 H new ATOM 261 N LEU A 18 -22.399 2.635 -7.806 1.00 0.00 N ATOM 262 CA LEU A 18 -21.891 1.550 -8.588 1.00 0.00 C ATOM 263 C LEU A 18 -21.910 0.196 -7.966 1.00 0.00 C ATOM 264 O LEU A 18 -22.343 -0.759 -8.608 1.00 0.00 O ATOM 265 CB LEU A 18 -20.532 1.894 -9.219 1.00 0.00 C ATOM 266 CG LEU A 18 -20.558 3.210 -10.014 1.00 0.00 C ATOM 267 CD1 LEU A 18 -19.152 3.565 -10.525 1.00 0.00 C ATOM 268 CD2 LEU A 18 -21.512 3.169 -11.220 1.00 0.00 C ATOM 0 H LEU A 18 -21.701 3.297 -7.467 1.00 0.00 H new ATOM 0 HA LEU A 18 -22.631 1.445 -9.381 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -19.780 1.965 -8.433 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -20.228 1.082 -9.880 1.00 0.00 H new ATOM 0 HG LEU A 18 -20.919 3.967 -9.318 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -19.193 4.499 -11.085 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -18.475 3.679 -9.678 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -18.789 2.769 -11.175 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -21.484 4.127 -11.739 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -21.202 2.378 -11.903 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -22.527 2.973 -10.875 1.00 0.00 H new ATOM 280 N PHE A 19 -21.495 0.141 -6.688 1.00 0.00 N ATOM 281 CA PHE A 19 -21.425 -1.085 -5.955 1.00 0.00 C ATOM 282 C PHE A 19 -22.783 -1.502 -5.506 1.00 0.00 C ATOM 283 O PHE A 19 -23.172 -2.610 -5.870 1.00 0.00 O ATOM 284 CB PHE A 19 -20.636 -0.959 -4.640 1.00 0.00 C ATOM 285 CG PHE A 19 -19.156 -0.944 -4.810 1.00 0.00 C ATOM 286 CD1 PHE A 19 -18.481 0.237 -5.015 1.00 0.00 C ATOM 287 CD2 PHE A 19 -18.396 -2.084 -4.692 1.00 0.00 C ATOM 288 CE1 PHE A 19 -17.109 0.315 -4.976 1.00 0.00 C ATOM 289 CE2 PHE A 19 -17.026 -2.022 -4.591 1.00 0.00 C ATOM 290 CZ PHE A 19 -16.372 -0.836 -4.827 1.00 0.00 C ATOM 0 H PHE A 19 -21.203 0.960 -6.155 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.949 -1.787 -6.640 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -20.941 -0.043 -4.134 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -20.906 -1.789 -3.987 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -19.049 1.134 -5.213 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -18.885 -3.047 -4.678 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -16.615 1.271 -5.062 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -16.464 -2.905 -4.326 1.00 0.00 H new ATOM 0 HZ PHE A 19 -15.294 -0.809 -4.894 1.00 0.00 H new ATOM 300 N ASP A 20 -23.556 -0.653 -4.805 1.00 0.00 N ATOM 301 CA ASP A 20 -24.956 -0.840 -4.582 1.00 0.00 C ATOM 302 C ASP A 20 -25.821 -0.671 -5.784 1.00 0.00 C ATOM 303 O ASP A 20 -26.336 0.392 -6.127 1.00 0.00 O ATOM 304 CB ASP A 20 -25.407 0.064 -3.422 1.00 0.00 C ATOM 305 CG ASP A 20 -26.759 -0.364 -2.870 1.00 0.00 C ATOM 306 OD1 ASP A 20 -27.069 -1.585 -2.858 1.00 0.00 O ATOM 307 OD2 ASP A 20 -27.557 0.499 -2.417 1.00 0.00 O ATOM 0 H ASP A 20 -23.191 0.198 -4.377 1.00 0.00 H new ATOM 0 HA ASP A 20 -25.089 -1.889 -4.319 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -24.663 0.034 -2.626 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -25.464 1.097 -3.766 1.00 0.00 H new ATOM 312 N LYS A 21 -26.174 -1.761 -6.489 1.00 0.00 N ATOM 313 CA LYS A 21 -27.085 -1.781 -7.590 1.00 0.00 C ATOM 314 C LYS A 21 -28.489 -1.778 -7.091 1.00 0.00 C ATOM 315 O LYS A 21 -29.351 -1.294 -7.823 1.00 0.00 O ATOM 316 CB LYS A 21 -26.872 -2.885 -8.640 1.00 0.00 C ATOM 317 CG LYS A 21 -25.550 -2.765 -9.401 1.00 0.00 C ATOM 318 CD LYS A 21 -25.523 -3.686 -10.622 1.00 0.00 C ATOM 319 CE LYS A 21 -24.078 -3.946 -11.053 1.00 0.00 C ATOM 320 NZ LYS A 21 -24.141 -4.780 -12.274 1.00 0.00 N ATOM 0 H LYS A 21 -25.799 -2.685 -6.276 1.00 0.00 H new ATOM 0 HA LYS A 21 -26.868 -0.866 -8.141 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -26.909 -3.856 -8.146 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -27.695 -2.859 -9.354 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -25.404 -1.733 -9.719 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -24.722 -3.014 -8.737 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -26.016 -4.629 -10.387 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -26.079 -3.232 -11.442 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -23.559 -3.008 -11.251 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -23.525 -4.456 -10.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -23.177 -4.983 -12.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -24.629 -5.673 -12.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -24.662 -4.270 -13.016 1.00 0.00 H new ATOM 334 N ASP A 22 -28.829 -2.341 -5.917 1.00 0.00 N ATOM 335 CA ASP A 22 -30.143 -2.560 -5.397 1.00 0.00 C ATOM 336 C ASP A 22 -30.822 -1.252 -5.177 1.00 0.00 C ATOM 337 O ASP A 22 -32.026 -1.158 -5.413 1.00 0.00 O ATOM 338 CB ASP A 22 -30.207 -3.446 -4.142 1.00 0.00 C ATOM 339 CG ASP A 22 -29.366 -4.695 -4.364 1.00 0.00 C ATOM 340 OD1 ASP A 22 -29.568 -5.459 -5.346 1.00 0.00 O ATOM 341 OD2 ASP A 22 -28.440 -4.923 -3.541 1.00 0.00 O ATOM 0 H ASP A 22 -28.113 -2.674 -5.272 1.00 0.00 H new ATOM 0 HA ASP A 22 -30.675 -3.134 -6.155 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -29.840 -2.896 -3.276 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -31.240 -3.722 -3.930 1.00 0.00 H new ATOM 346 N GLY A 23 -30.109 -0.272 -4.594 1.00 0.00 N ATOM 347 CA GLY A 23 -30.644 0.904 -3.981 1.00 0.00 C ATOM 348 C GLY A 23 -31.170 0.756 -2.595 1.00 0.00 C ATOM 349 O GLY A 23 -32.115 1.442 -2.208 1.00 0.00 O ATOM 0 H GLY A 23 -29.091 -0.304 -4.548 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -29.865 1.666 -3.970 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -31.449 1.280 -4.612 1.00 0.00 H new ATOM 353 N ASP A 24 -30.619 -0.276 -1.931 1.00 0.00 N ATOM 354 CA ASP A 24 -31.022 -0.594 -0.596 1.00 0.00 C ATOM 355 C ASP A 24 -30.474 0.337 0.431 1.00 0.00 C ATOM 356 O ASP A 24 -31.140 0.857 1.325 1.00 0.00 O ATOM 357 CB ASP A 24 -30.792 -2.059 -0.189 1.00 0.00 C ATOM 358 CG ASP A 24 -29.364 -2.584 -0.217 1.00 0.00 C ATOM 359 OD1 ASP A 24 -28.765 -2.403 0.877 1.00 0.00 O ATOM 360 OD2 ASP A 24 -28.883 -3.225 -1.190 1.00 0.00 O ATOM 0 H ASP A 24 -29.899 -0.887 -2.316 1.00 0.00 H new ATOM 0 HA ASP A 24 -32.102 -0.451 -0.623 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -31.178 -2.191 0.822 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -31.394 -2.688 -0.845 1.00 0.00 H new ATOM 365 N GLY A 25 -29.240 0.747 0.090 1.00 0.00 N ATOM 366 CA GLY A 25 -28.379 1.579 0.873 1.00 0.00 C ATOM 367 C GLY A 25 -27.081 1.034 1.362 1.00 0.00 C ATOM 368 O GLY A 25 -26.222 1.784 1.821 1.00 0.00 O ATOM 0 H GLY A 25 -28.814 0.477 -0.797 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -28.159 2.469 0.283 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -28.945 1.907 1.745 1.00 0.00 H new ATOM 372 N THR A 26 -26.831 -0.274 1.172 1.00 0.00 N ATOM 373 CA THR A 26 -25.563 -0.821 1.544 1.00 0.00 C ATOM 374 C THR A 26 -24.843 -1.651 0.538 1.00 0.00 C ATOM 375 O THR A 26 -25.389 -2.172 -0.433 1.00 0.00 O ATOM 376 CB THR A 26 -25.628 -1.529 2.865 1.00 0.00 C ATOM 377 OG1 THR A 26 -26.511 -2.638 2.957 1.00 0.00 O ATOM 378 CG2 THR A 26 -25.902 -0.579 4.043 1.00 0.00 C ATOM 0 H THR A 26 -27.490 -0.940 0.770 1.00 0.00 H new ATOM 0 HA THR A 26 -24.945 0.074 1.620 1.00 0.00 H new ATOM 0 HB THR A 26 -24.621 -1.940 2.931 1.00 0.00 H new ATOM 0 HG1 THR A 26 -27.222 -2.546 2.289 1.00 0.00 H new ATOM 0 HG21 THR A 26 -25.938 -1.150 4.971 1.00 0.00 H new ATOM 0 HG22 THR A 26 -25.106 0.163 4.104 1.00 0.00 H new ATOM 0 HG23 THR A 26 -26.857 -0.076 3.890 1.00 0.00 H new ATOM 386 N ILE A 27 -23.535 -1.875 0.754 1.00 0.00 N ATOM 387 CA ILE A 27 -22.671 -2.822 0.119 1.00 0.00 C ATOM 388 C ILE A 27 -22.701 -4.056 0.953 1.00 0.00 C ATOM 389 O ILE A 27 -22.306 -4.110 2.117 1.00 0.00 O ATOM 390 CB ILE A 27 -21.310 -2.319 -0.259 1.00 0.00 C ATOM 391 CG1 ILE A 27 -21.264 -0.784 -0.330 1.00 0.00 C ATOM 392 CG2 ILE A 27 -20.952 -2.851 -1.657 1.00 0.00 C ATOM 393 CD1 ILE A 27 -19.903 -0.237 -0.761 1.00 0.00 C ATOM 0 H ILE A 27 -23.029 -1.330 1.452 1.00 0.00 H new ATOM 0 HA ILE A 27 -23.048 -3.047 -0.879 1.00 0.00 H new ATOM 0 HB ILE A 27 -20.611 -2.663 0.503 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -22.025 -0.437 -1.029 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -21.519 -0.375 0.647 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -19.963 -2.491 -1.941 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -20.950 -3.941 -1.642 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -21.688 -2.499 -2.380 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -19.941 0.852 -0.790 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -19.141 -0.555 -0.049 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -19.655 -0.618 -1.752 1.00 0.00 H new ATOM 405 N THR A 28 -23.116 -5.178 0.340 1.00 0.00 N ATOM 406 CA THR A 28 -22.888 -6.474 0.900 1.00 0.00 C ATOM 407 C THR A 28 -21.631 -7.062 0.359 1.00 0.00 C ATOM 408 O THR A 28 -20.994 -6.534 -0.551 1.00 0.00 O ATOM 409 CB THR A 28 -23.918 -7.480 0.475 1.00 0.00 C ATOM 410 OG1 THR A 28 -24.168 -7.581 -0.919 1.00 0.00 O ATOM 411 CG2 THR A 28 -25.293 -7.271 1.131 1.00 0.00 C ATOM 0 H THR A 28 -23.613 -5.187 -0.550 1.00 0.00 H new ATOM 0 HA THR A 28 -22.886 -6.309 1.977 1.00 0.00 H new ATOM 0 HB THR A 28 -23.438 -8.398 0.815 1.00 0.00 H new ATOM 0 HG1 THR A 28 -24.461 -6.711 -1.263 1.00 0.00 H new ATOM 0 HG21 THR A 28 -25.985 -8.035 0.776 1.00 0.00 H new ATOM 0 HG22 THR A 28 -25.195 -7.345 2.214 1.00 0.00 H new ATOM 0 HG23 THR A 28 -25.675 -6.285 0.868 1.00 0.00 H new ATOM 419 N THR A 29 -21.203 -8.234 0.863 1.00 0.00 N ATOM 420 CA THR A 29 -19.931 -8.852 0.653 1.00 0.00 C ATOM 421 C THR A 29 -19.767 -9.305 -0.756 1.00 0.00 C ATOM 422 O THR A 29 -18.687 -9.166 -1.329 1.00 0.00 O ATOM 423 CB THR A 29 -19.684 -10.113 1.429 1.00 0.00 C ATOM 424 OG1 THR A 29 -20.739 -11.060 1.346 1.00 0.00 O ATOM 425 CG2 THR A 29 -19.521 -9.554 2.852 1.00 0.00 C ATOM 0 H THR A 29 -21.801 -8.796 1.470 1.00 0.00 H new ATOM 0 HA THR A 29 -19.249 -8.062 0.966 1.00 0.00 H new ATOM 0 HB THR A 29 -18.833 -10.683 1.057 1.00 0.00 H new ATOM 0 HG1 THR A 29 -20.508 -11.854 1.873 1.00 0.00 H new ATOM 0 HG21 THR A 29 -19.331 -10.373 3.545 1.00 0.00 H new ATOM 0 HG22 THR A 29 -18.683 -8.857 2.876 1.00 0.00 H new ATOM 0 HG23 THR A 29 -20.433 -9.034 3.145 1.00 0.00 H new ATOM 433 N LYS A 30 -20.852 -9.714 -1.438 1.00 0.00 N ATOM 434 CA LYS A 30 -20.833 -10.157 -2.798 1.00 0.00 C ATOM 435 C LYS A 30 -20.817 -9.022 -3.763 1.00 0.00 C ATOM 436 O LYS A 30 -20.330 -9.161 -4.883 1.00 0.00 O ATOM 437 CB LYS A 30 -21.992 -11.121 -3.106 1.00 0.00 C ATOM 438 CG LYS A 30 -23.424 -10.626 -2.897 1.00 0.00 C ATOM 439 CD LYS A 30 -24.559 -11.606 -2.593 1.00 0.00 C ATOM 440 CE LYS A 30 -25.847 -10.849 -2.263 1.00 0.00 C ATOM 441 NZ LYS A 30 -27.054 -11.702 -2.321 1.00 0.00 N ATOM 0 H LYS A 30 -21.784 -9.737 -1.023 1.00 0.00 H new ATOM 0 HA LYS A 30 -19.900 -10.706 -2.925 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -21.897 -11.433 -4.146 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -21.855 -12.011 -2.492 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -23.397 -9.905 -2.080 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -23.707 -10.078 -3.796 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -24.723 -12.259 -3.451 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -24.281 -12.245 -1.755 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -25.762 -10.418 -1.266 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -25.962 -10.019 -2.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -27.893 -11.133 -2.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -27.156 -12.094 -3.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -26.963 -12.480 -1.637 1.00 0.00 H new ATOM 455 N GLU A 31 -21.400 -7.870 -3.385 1.00 0.00 N ATOM 456 CA GLU A 31 -21.170 -6.734 -4.223 1.00 0.00 C ATOM 457 C GLU A 31 -19.745 -6.299 -4.216 1.00 0.00 C ATOM 458 O GLU A 31 -19.221 -6.054 -5.301 1.00 0.00 O ATOM 459 CB GLU A 31 -22.088 -5.599 -3.739 1.00 0.00 C ATOM 460 CG GLU A 31 -23.565 -5.831 -4.061 1.00 0.00 C ATOM 461 CD GLU A 31 -24.557 -4.967 -3.296 1.00 0.00 C ATOM 462 OE1 GLU A 31 -24.621 -4.912 -2.039 1.00 0.00 O ATOM 463 OE2 GLU A 31 -25.334 -4.251 -3.983 1.00 0.00 O ATOM 0 H GLU A 31 -21.987 -7.726 -2.564 1.00 0.00 H new ATOM 0 HA GLU A 31 -21.396 -7.003 -5.255 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -21.973 -5.484 -2.661 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -21.767 -4.663 -4.196 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -23.715 -5.664 -5.128 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -23.799 -6.878 -3.866 1.00 0.00 H new ATOM 470 N LEU A 32 -19.125 -6.259 -3.023 1.00 0.00 N ATOM 471 CA LEU A 32 -17.751 -5.897 -2.866 1.00 0.00 C ATOM 472 C LEU A 32 -16.841 -6.779 -3.650 1.00 0.00 C ATOM 473 O LEU A 32 -16.083 -6.380 -4.533 1.00 0.00 O ATOM 474 CB LEU A 32 -17.319 -5.989 -1.393 1.00 0.00 C ATOM 475 CG LEU A 32 -17.515 -4.726 -0.538 1.00 0.00 C ATOM 476 CD1 LEU A 32 -17.319 -5.198 0.912 1.00 0.00 C ATOM 477 CD2 LEU A 32 -16.617 -3.558 -0.981 1.00 0.00 C ATOM 0 H LEU A 32 -19.592 -6.484 -2.144 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.672 -4.873 -3.230 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.871 -6.805 -0.927 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -16.264 -6.260 -1.364 1.00 0.00 H new ATOM 0 HG LEU A 32 -18.507 -4.289 -0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -17.443 -4.353 1.590 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -18.058 -5.964 1.148 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.317 -5.612 1.028 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -16.800 -2.695 -0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -15.571 -3.853 -0.902 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -16.843 -3.297 -2.015 1.00 0.00 H new ATOM 489 N GLY A 33 -17.104 -8.080 -3.435 1.00 0.00 N ATOM 490 CA GLY A 33 -16.364 -9.150 -4.030 1.00 0.00 C ATOM 491 C GLY A 33 -16.407 -9.153 -5.519 1.00 0.00 C ATOM 492 O GLY A 33 -15.377 -9.363 -6.158 1.00 0.00 O ATOM 0 H GLY A 33 -17.858 -8.399 -2.826 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.325 -9.086 -3.706 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.755 -10.099 -3.662 1.00 0.00 H new ATOM 496 N THR A 34 -17.568 -8.963 -6.169 1.00 0.00 N ATOM 497 CA THR A 34 -17.769 -8.949 -7.585 1.00 0.00 C ATOM 498 C THR A 34 -16.975 -7.880 -8.254 1.00 0.00 C ATOM 499 O THR A 34 -16.353 -8.037 -9.304 1.00 0.00 O ATOM 500 CB THR A 34 -19.192 -8.797 -8.034 1.00 0.00 C ATOM 501 OG1 THR A 34 -20.054 -9.857 -7.647 1.00 0.00 O ATOM 502 CG2 THR A 34 -19.259 -8.811 -9.571 1.00 0.00 C ATOM 0 H THR A 34 -18.438 -8.806 -5.661 1.00 0.00 H new ATOM 0 HA THR A 34 -17.431 -9.942 -7.882 1.00 0.00 H new ATOM 0 HB THR A 34 -19.516 -7.866 -7.570 1.00 0.00 H new ATOM 0 HG1 THR A 34 -20.262 -9.778 -6.693 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.295 -8.700 -9.891 1.00 0.00 H new ATOM 0 HG22 THR A 34 -18.666 -7.987 -9.969 1.00 0.00 H new ATOM 0 HG23 THR A 34 -18.863 -9.756 -9.944 1.00 0.00 H new ATOM 510 N VAL A 35 -16.901 -6.674 -7.665 1.00 0.00 N ATOM 511 CA VAL A 35 -16.152 -5.536 -8.100 1.00 0.00 C ATOM 512 C VAL A 35 -14.689 -5.682 -7.856 1.00 0.00 C ATOM 513 O VAL A 35 -13.887 -5.384 -8.739 1.00 0.00 O ATOM 514 CB VAL A 35 -16.660 -4.235 -7.554 1.00 0.00 C ATOM 515 CG1 VAL A 35 -15.928 -3.016 -8.140 1.00 0.00 C ATOM 516 CG2 VAL A 35 -18.175 -4.124 -7.796 1.00 0.00 C ATOM 0 H VAL A 35 -17.413 -6.479 -6.805 1.00 0.00 H new ATOM 0 HA VAL A 35 -16.306 -5.502 -9.178 1.00 0.00 H new ATOM 0 HB VAL A 35 -16.458 -4.232 -6.483 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -16.338 -2.103 -7.708 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.865 -3.083 -7.906 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -16.061 -2.997 -9.222 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -18.539 -3.177 -7.397 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -18.377 -4.169 -8.866 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -18.685 -4.948 -7.296 1.00 0.00 H new ATOM 526 N MET A 36 -14.288 -6.191 -6.677 1.00 0.00 N ATOM 527 CA MET A 36 -12.937 -6.622 -6.492 1.00 0.00 C ATOM 528 C MET A 36 -12.399 -7.585 -7.494 1.00 0.00 C ATOM 529 O MET A 36 -11.302 -7.440 -8.030 1.00 0.00 O ATOM 530 CB MET A 36 -12.737 -7.079 -5.037 1.00 0.00 C ATOM 531 CG MET A 36 -12.857 -6.011 -3.948 1.00 0.00 C ATOM 532 SD MET A 36 -12.718 -6.710 -2.276 1.00 0.00 S ATOM 533 CE MET A 36 -10.939 -7.033 -2.104 1.00 0.00 C ATOM 0 H MET A 36 -14.890 -6.303 -5.862 1.00 0.00 H new ATOM 0 HA MET A 36 -12.318 -5.746 -6.689 1.00 0.00 H new ATOM 0 HB2 MET A 36 -13.466 -7.861 -4.825 1.00 0.00 H new ATOM 0 HB3 MET A 36 -11.749 -7.533 -4.958 1.00 0.00 H new ATOM 0 HG2 MET A 36 -12.079 -5.261 -4.091 1.00 0.00 H new ATOM 0 HG3 MET A 36 -13.815 -5.500 -4.047 1.00 0.00 H new ATOM 0 HE1 MET A 36 -10.757 -7.588 -1.184 1.00 0.00 H new ATOM 0 HE2 MET A 36 -10.591 -7.618 -2.956 1.00 0.00 H new ATOM 0 HE3 MET A 36 -10.399 -6.087 -2.069 1.00 0.00 H new ATOM 543 N ARG A 37 -13.197 -8.574 -7.935 1.00 0.00 N ATOM 544 CA ARG A 37 -12.772 -9.435 -8.995 1.00 0.00 C ATOM 545 C ARG A 37 -12.533 -8.739 -10.290 1.00 0.00 C ATOM 546 O ARG A 37 -11.548 -8.957 -10.995 1.00 0.00 O ATOM 547 CB ARG A 37 -13.693 -10.628 -9.301 1.00 0.00 C ATOM 548 CG ARG A 37 -13.779 -11.681 -8.194 1.00 0.00 C ATOM 549 CD ARG A 37 -12.509 -12.499 -7.947 1.00 0.00 C ATOM 550 NE ARG A 37 -12.838 -13.457 -6.854 1.00 0.00 N ATOM 551 CZ ARG A 37 -12.261 -14.690 -6.766 1.00 0.00 C ATOM 552 NH1 ARG A 37 -11.383 -15.113 -7.722 1.00 0.00 N ATOM 553 NH2 ARG A 37 -12.361 -15.492 -5.666 1.00 0.00 N ATOM 0 H ARG A 37 -14.125 -8.776 -7.563 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.836 -9.808 -8.579 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -14.696 -10.251 -9.501 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.345 -11.111 -10.214 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -14.052 -11.181 -7.265 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -14.589 -12.369 -8.436 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.205 -13.028 -8.850 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -11.679 -11.853 -7.662 1.00 0.00 H new ATOM 0 HE ARG A 37 -13.519 -13.181 -6.146 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -11.154 -14.506 -8.509 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -10.956 -16.036 -7.649 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -12.889 -15.178 -4.852 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -11.907 -16.406 -5.658 1.00 0.00 H new ATOM 567 N SER A 38 -13.398 -7.759 -10.607 1.00 0.00 N ATOM 568 CA SER A 38 -13.284 -6.964 -11.790 1.00 0.00 C ATOM 569 C SER A 38 -12.209 -5.934 -11.735 1.00 0.00 C ATOM 570 O SER A 38 -11.821 -5.403 -12.775 1.00 0.00 O ATOM 571 CB SER A 38 -14.619 -6.287 -12.145 1.00 0.00 C ATOM 572 OG SER A 38 -15.707 -7.163 -12.402 1.00 0.00 O ATOM 0 H SER A 38 -14.198 -7.513 -10.025 1.00 0.00 H new ATOM 0 HA SER A 38 -13.006 -7.673 -12.570 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.897 -5.623 -11.326 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.465 -5.662 -13.024 1.00 0.00 H new ATOM 0 HG SER A 38 -16.037 -7.532 -11.556 1.00 0.00 H new ATOM 578 N LEU A 39 -11.683 -5.591 -10.546 1.00 0.00 N ATOM 579 CA LEU A 39 -10.614 -4.655 -10.390 1.00 0.00 C ATOM 580 C LEU A 39 -9.345 -5.436 -10.404 1.00 0.00 C ATOM 581 O LEU A 39 -8.267 -4.845 -10.393 1.00 0.00 O ATOM 582 CB LEU A 39 -10.784 -3.912 -9.054 1.00 0.00 C ATOM 583 CG LEU A 39 -11.811 -2.768 -9.104 1.00 0.00 C ATOM 584 CD1 LEU A 39 -12.124 -2.240 -7.694 1.00 0.00 C ATOM 585 CD2 LEU A 39 -11.159 -1.682 -9.977 1.00 0.00 C ATOM 0 H LEU A 39 -12.014 -5.979 -9.662 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.607 -3.914 -11.189 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -11.087 -4.626 -8.288 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.819 -3.508 -8.749 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.766 -3.097 -9.515 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -12.853 -1.432 -7.761 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.532 -3.047 -7.086 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.209 -1.866 -7.234 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.833 -0.829 -10.061 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.223 -1.361 -9.520 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.959 -2.085 -10.970 1.00 0.00 H new ATOM 597 N GLY A 40 -9.290 -6.776 -10.505 1.00 0.00 N ATOM 598 CA GLY A 40 -8.064 -7.495 -10.663 1.00 0.00 C ATOM 599 C GLY A 40 -7.841 -8.475 -9.563 1.00 0.00 C ATOM 600 O GLY A 40 -6.899 -9.260 -9.664 1.00 0.00 O ATOM 0 H GLY A 40 -10.116 -7.373 -10.476 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.073 -8.020 -11.618 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.233 -6.790 -10.694 1.00 0.00 H new ATOM 604 N GLN A 41 -8.662 -8.404 -8.500 1.00 0.00 N ATOM 605 CA GLN A 41 -8.452 -9.144 -7.295 1.00 0.00 C ATOM 606 C GLN A 41 -8.965 -10.539 -7.401 1.00 0.00 C ATOM 607 O GLN A 41 -9.672 -10.959 -8.315 1.00 0.00 O ATOM 608 CB GLN A 41 -8.789 -8.387 -5.999 1.00 0.00 C ATOM 609 CG GLN A 41 -8.245 -6.960 -6.101 1.00 0.00 C ATOM 610 CD GLN A 41 -8.425 -6.208 -4.790 1.00 0.00 C ATOM 611 OE1 GLN A 41 -9.129 -5.218 -4.592 1.00 0.00 O ATOM 612 NE2 GLN A 41 -7.754 -6.720 -3.724 1.00 0.00 N ATOM 0 H GLN A 41 -9.495 -7.816 -8.478 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.373 -9.256 -7.186 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.868 -8.369 -5.843 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.351 -8.896 -5.140 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.188 -6.989 -6.365 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.759 -6.428 -6.902 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.159 -7.540 -3.842 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.846 -6.284 -2.806 1.00 0.00 H new ATOM 621 N ASN A 42 -8.726 -11.329 -6.339 1.00 0.00 N ATOM 622 CA ASN A 42 -9.118 -12.697 -6.198 1.00 0.00 C ATOM 623 C ASN A 42 -9.733 -12.990 -4.873 1.00 0.00 C ATOM 624 O ASN A 42 -9.337 -13.966 -4.237 1.00 0.00 O ATOM 625 CB ASN A 42 -7.964 -13.711 -6.283 1.00 0.00 C ATOM 626 CG ASN A 42 -7.129 -13.416 -7.521 1.00 0.00 C ATOM 627 OD1 ASN A 42 -7.652 -13.592 -8.620 1.00 0.00 O ATOM 628 ND2 ASN A 42 -5.836 -13.036 -7.335 1.00 0.00 N ATOM 0 H ASN A 42 -8.223 -10.986 -5.521 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.811 -12.811 -7.032 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.344 -13.650 -5.389 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.359 -14.726 -6.329 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.230 -12.877 -8.140 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.472 -12.910 -6.390 1.00 0.00 H new ATOM 635 N PRO A 43 -10.609 -12.277 -4.229 1.00 0.00 N ATOM 636 CA PRO A 43 -11.016 -12.502 -2.872 1.00 0.00 C ATOM 637 C PRO A 43 -11.781 -13.748 -2.585 1.00 0.00 C ATOM 638 O PRO A 43 -12.715 -14.061 -3.322 1.00 0.00 O ATOM 639 CB PRO A 43 -11.879 -11.292 -2.522 1.00 0.00 C ATOM 640 CG PRO A 43 -12.343 -10.657 -3.843 1.00 0.00 C ATOM 641 CD PRO A 43 -11.129 -11.009 -4.717 1.00 0.00 C ATOM 0 HA PRO A 43 -10.112 -12.631 -2.276 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -12.736 -11.594 -1.920 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -11.311 -10.574 -1.930 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -13.271 -11.091 -4.216 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -12.505 -9.582 -3.760 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -11.418 -11.088 -5.765 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.369 -10.230 -4.654 1.00 0.00 H new ATOM 649 N THR A 44 -11.479 -14.380 -1.437 1.00 0.00 N ATOM 650 CA THR A 44 -12.259 -15.429 -0.856 1.00 0.00 C ATOM 651 C THR A 44 -13.296 -14.778 -0.007 1.00 0.00 C ATOM 652 O THR A 44 -13.316 -13.588 0.305 1.00 0.00 O ATOM 653 CB THR A 44 -11.474 -16.480 -0.130 1.00 0.00 C ATOM 654 OG1 THR A 44 -10.825 -15.982 1.031 1.00 0.00 O ATOM 655 CG2 THR A 44 -10.354 -17.015 -1.038 1.00 0.00 C ATOM 0 H THR A 44 -10.651 -14.149 -0.888 1.00 0.00 H new ATOM 0 HA THR A 44 -12.719 -16.009 -1.656 1.00 0.00 H new ATOM 0 HB THR A 44 -12.195 -17.247 0.150 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.098 -15.380 0.767 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.787 -17.778 -0.505 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.791 -17.449 -1.937 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.689 -16.197 -1.316 1.00 0.00 H new ATOM 663 N GLU A 45 -14.329 -15.580 0.306 1.00 0.00 N ATOM 664 CA GLU A 45 -15.388 -15.217 1.196 1.00 0.00 C ATOM 665 C GLU A 45 -14.909 -14.976 2.586 1.00 0.00 C ATOM 666 O GLU A 45 -15.408 -14.113 3.306 1.00 0.00 O ATOM 667 CB GLU A 45 -16.486 -16.292 1.126 1.00 0.00 C ATOM 668 CG GLU A 45 -17.273 -16.180 -0.181 1.00 0.00 C ATOM 669 CD GLU A 45 -18.139 -17.423 -0.331 1.00 0.00 C ATOM 670 OE1 GLU A 45 -19.033 -17.651 0.527 1.00 0.00 O ATOM 671 OE2 GLU A 45 -17.889 -18.295 -1.206 1.00 0.00 O ATOM 0 H GLU A 45 -14.431 -16.520 -0.077 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.808 -14.263 0.876 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.037 -17.282 1.202 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.163 -16.183 1.974 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.894 -15.284 -0.174 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.592 -16.089 -1.027 1.00 0.00 H new ATOM 678 N ALA A 46 -13.772 -15.601 2.940 1.00 0.00 N ATOM 679 CA ALA A 46 -13.187 -15.475 4.239 1.00 0.00 C ATOM 680 C ALA A 46 -12.441 -14.196 4.409 1.00 0.00 C ATOM 681 O ALA A 46 -12.468 -13.571 5.468 1.00 0.00 O ATOM 682 CB ALA A 46 -12.168 -16.597 4.498 1.00 0.00 C ATOM 0 H ALA A 46 -13.247 -16.207 2.310 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.025 -15.520 4.934 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.739 -16.476 5.493 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -12.667 -17.564 4.433 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.375 -16.547 3.752 1.00 0.00 H new ATOM 688 N GLU A 47 -11.894 -13.630 3.319 1.00 0.00 N ATOM 689 CA GLU A 47 -11.223 -12.368 3.281 1.00 0.00 C ATOM 690 C GLU A 47 -12.172 -11.221 3.354 1.00 0.00 C ATOM 691 O GLU A 47 -11.961 -10.305 4.147 1.00 0.00 O ATOM 692 CB GLU A 47 -10.358 -12.213 2.019 1.00 0.00 C ATOM 693 CG GLU A 47 -9.082 -13.056 1.974 1.00 0.00 C ATOM 694 CD GLU A 47 -8.579 -13.179 0.543 1.00 0.00 C ATOM 695 OE1 GLU A 47 -7.781 -12.322 0.076 1.00 0.00 O ATOM 696 OE2 GLU A 47 -8.849 -14.269 -0.029 1.00 0.00 O ATOM 0 H GLU A 47 -11.923 -14.084 2.406 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.581 -12.353 4.162 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.968 -12.465 1.151 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.080 -11.164 1.919 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.314 -12.599 2.598 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.278 -14.047 2.384 1.00 0.00 H new ATOM 703 N LEU A 48 -13.310 -11.357 2.651 1.00 0.00 N ATOM 704 CA LEU A 48 -14.436 -10.476 2.693 1.00 0.00 C ATOM 705 C LEU A 48 -14.982 -10.383 4.076 1.00 0.00 C ATOM 706 O LEU A 48 -15.257 -9.282 4.551 1.00 0.00 O ATOM 707 CB LEU A 48 -15.449 -10.938 1.631 1.00 0.00 C ATOM 708 CG LEU A 48 -15.120 -10.609 0.165 1.00 0.00 C ATOM 709 CD1 LEU A 48 -16.132 -11.354 -0.722 1.00 0.00 C ATOM 710 CD2 LEU A 48 -15.117 -9.092 -0.086 1.00 0.00 C ATOM 0 H LEU A 48 -13.453 -12.137 2.009 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.152 -9.454 2.443 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.563 -12.018 1.719 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.416 -10.495 1.869 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.112 -10.943 -0.082 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -15.924 -11.140 -1.770 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -16.049 -12.427 -0.547 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -17.142 -11.024 -0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -14.881 -8.897 -1.132 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -16.100 -8.683 0.146 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -14.368 -8.620 0.549 1.00 0.00 H new ATOM 722 N GLN A 49 -15.284 -11.519 4.729 1.00 0.00 N ATOM 723 CA GLN A 49 -15.904 -11.592 6.015 1.00 0.00 C ATOM 724 C GLN A 49 -14.993 -11.137 7.103 1.00 0.00 C ATOM 725 O GLN A 49 -15.436 -10.623 8.129 1.00 0.00 O ATOM 726 CB GLN A 49 -16.536 -12.949 6.369 1.00 0.00 C ATOM 727 CG GLN A 49 -17.841 -13.298 5.651 1.00 0.00 C ATOM 728 CD GLN A 49 -18.231 -14.762 5.795 1.00 0.00 C ATOM 729 OE1 GLN A 49 -19.306 -15.129 6.268 1.00 0.00 O ATOM 730 NE2 GLN A 49 -17.340 -15.699 5.374 1.00 0.00 N ATOM 0 H GLN A 49 -15.084 -12.439 4.336 1.00 0.00 H new ATOM 0 HA GLN A 49 -16.741 -10.898 5.935 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -15.808 -13.731 6.155 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -16.720 -12.971 7.443 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -18.643 -12.674 6.045 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -17.741 -13.058 4.593 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -16.445 -15.411 4.980 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -17.567 -16.690 5.453 1.00 0.00 H new ATOM 739 N ASP A 50 -13.663 -11.204 6.916 1.00 0.00 N ATOM 740 CA ASP A 50 -12.728 -10.686 7.867 1.00 0.00 C ATOM 741 C ASP A 50 -12.769 -9.200 7.767 1.00 0.00 C ATOM 742 O ASP A 50 -12.873 -8.440 8.729 1.00 0.00 O ATOM 743 CB ASP A 50 -11.335 -11.279 7.595 1.00 0.00 C ATOM 744 CG ASP A 50 -10.299 -10.889 8.639 1.00 0.00 C ATOM 745 OD1 ASP A 50 -10.520 -10.895 9.880 1.00 0.00 O ATOM 746 OD2 ASP A 50 -9.166 -10.545 8.208 1.00 0.00 O ATOM 0 H ASP A 50 -13.230 -11.623 6.093 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.981 -10.967 8.889 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.412 -12.366 7.558 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.993 -10.950 6.614 1.00 0.00 H new ATOM 751 N MET A 51 -12.845 -8.709 6.517 1.00 0.00 N ATOM 752 CA MET A 51 -12.976 -7.311 6.244 1.00 0.00 C ATOM 753 C MET A 51 -14.144 -6.634 6.875 1.00 0.00 C ATOM 754 O MET A 51 -13.988 -5.630 7.568 1.00 0.00 O ATOM 755 CB MET A 51 -13.002 -7.154 4.715 1.00 0.00 C ATOM 756 CG MET A 51 -12.631 -5.784 4.143 1.00 0.00 C ATOM 757 SD MET A 51 -13.023 -5.542 2.385 1.00 0.00 S ATOM 758 CE MET A 51 -11.559 -6.381 1.715 1.00 0.00 C ATOM 0 H MET A 51 -12.815 -9.293 5.681 1.00 0.00 H new ATOM 0 HA MET A 51 -12.125 -6.806 6.701 1.00 0.00 H new ATOM 0 HB2 MET A 51 -12.323 -7.892 4.289 1.00 0.00 H new ATOM 0 HB3 MET A 51 -14.004 -7.404 4.367 1.00 0.00 H new ATOM 0 HG2 MET A 51 -13.145 -5.016 4.722 1.00 0.00 H new ATOM 0 HG3 MET A 51 -11.562 -5.627 4.284 1.00 0.00 H new ATOM 0 HE1 MET A 51 -11.590 -6.353 0.626 1.00 0.00 H new ATOM 0 HE2 MET A 51 -10.658 -5.877 2.065 1.00 0.00 H new ATOM 0 HE3 MET A 51 -11.548 -7.418 2.051 1.00 0.00 H new ATOM 768 N ILE A 52 -15.374 -7.156 6.724 1.00 0.00 N ATOM 769 CA ILE A 52 -16.551 -6.669 7.375 1.00 0.00 C ATOM 770 C ILE A 52 -16.465 -6.771 8.859 1.00 0.00 C ATOM 771 O ILE A 52 -16.904 -5.880 9.585 1.00 0.00 O ATOM 772 CB ILE A 52 -17.680 -7.512 6.862 1.00 0.00 C ATOM 773 CG1 ILE A 52 -18.289 -7.004 5.544 1.00 0.00 C ATOM 774 CG2 ILE A 52 -18.868 -7.572 7.836 1.00 0.00 C ATOM 775 CD1 ILE A 52 -17.229 -6.666 4.497 1.00 0.00 C ATOM 0 H ILE A 52 -15.557 -7.956 6.119 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.690 -5.610 7.158 1.00 0.00 H new ATOM 0 HB ILE A 52 -17.206 -8.484 6.727 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -18.961 -7.763 5.143 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -18.891 -6.118 5.744 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -19.655 -8.196 7.412 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -18.540 -7.997 8.785 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -19.253 -6.566 8.003 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -17.715 -6.313 3.588 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -16.572 -5.887 4.883 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -16.643 -7.557 4.272 1.00 0.00 H new ATOM 787 N ASN A 53 -15.889 -7.873 9.370 1.00 0.00 N ATOM 788 CA ASN A 53 -15.751 -8.084 10.777 1.00 0.00 C ATOM 789 C ASN A 53 -14.800 -7.157 11.454 1.00 0.00 C ATOM 790 O ASN A 53 -14.803 -7.026 12.677 1.00 0.00 O ATOM 791 CB ASN A 53 -15.388 -9.556 11.036 1.00 0.00 C ATOM 792 CG ASN A 53 -15.485 -9.986 12.493 1.00 0.00 C ATOM 793 OD1 ASN A 53 -16.561 -9.970 13.089 1.00 0.00 O ATOM 794 ND2 ASN A 53 -14.343 -10.331 13.145 1.00 0.00 N ATOM 0 H ASN A 53 -15.513 -8.629 8.798 1.00 0.00 H new ATOM 0 HA ASN A 53 -16.716 -7.851 11.226 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -16.045 -10.189 10.440 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -14.371 -9.733 10.686 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -14.375 -10.579 14.134 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -13.454 -10.342 12.645 1.00 0.00 H new ATOM 801 N GLU A 54 -13.899 -6.482 10.717 1.00 0.00 N ATOM 802 CA GLU A 54 -12.892 -5.587 11.196 1.00 0.00 C ATOM 803 C GLU A 54 -13.470 -4.221 11.335 1.00 0.00 C ATOM 804 O GLU A 54 -13.064 -3.480 12.230 1.00 0.00 O ATOM 805 CB GLU A 54 -11.764 -5.571 10.151 1.00 0.00 C ATOM 806 CG GLU A 54 -10.526 -4.869 10.711 1.00 0.00 C ATOM 807 CD GLU A 54 -9.347 -4.765 9.754 1.00 0.00 C ATOM 808 OE1 GLU A 54 -9.276 -3.942 8.802 1.00 0.00 O ATOM 809 OE2 GLU A 54 -8.320 -5.463 9.962 1.00 0.00 O ATOM 0 H GLU A 54 -13.875 -6.571 9.701 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.514 -5.905 12.168 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.512 -6.592 9.864 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.102 -5.060 9.249 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.809 -3.864 11.023 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.201 -5.401 11.605 1.00 0.00 H new ATOM 816 N VAL A 55 -14.528 -3.911 10.565 1.00 0.00 N ATOM 817 CA VAL A 55 -14.879 -2.563 10.242 1.00 0.00 C ATOM 818 C VAL A 55 -16.159 -2.207 10.915 1.00 0.00 C ATOM 819 O VAL A 55 -16.184 -1.128 11.506 1.00 0.00 O ATOM 820 CB VAL A 55 -15.057 -2.338 8.770 1.00 0.00 C ATOM 821 CG1 VAL A 55 -15.733 -1.003 8.415 1.00 0.00 C ATOM 822 CG2 VAL A 55 -13.658 -2.254 8.135 1.00 0.00 C ATOM 0 H VAL A 55 -15.151 -4.609 10.159 1.00 0.00 H new ATOM 0 HA VAL A 55 -14.053 -1.939 10.584 1.00 0.00 H new ATOM 0 HB VAL A 55 -15.681 -3.157 8.412 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -15.824 -0.918 7.332 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -16.724 -0.966 8.867 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -15.130 -0.178 8.794 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -13.755 -2.090 7.062 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -13.106 -1.426 8.580 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -13.121 -3.186 8.313 1.00 0.00 H new ATOM 832 N ASP A 56 -17.196 -3.062 10.863 1.00 0.00 N ATOM 833 CA ASP A 56 -18.489 -2.756 11.393 1.00 0.00 C ATOM 834 C ASP A 56 -18.544 -2.680 12.880 1.00 0.00 C ATOM 835 O ASP A 56 -18.427 -3.679 13.588 1.00 0.00 O ATOM 836 CB ASP A 56 -19.574 -3.680 10.814 1.00 0.00 C ATOM 837 CG ASP A 56 -20.973 -3.141 11.075 1.00 0.00 C ATOM 838 OD1 ASP A 56 -21.444 -3.174 12.243 1.00 0.00 O ATOM 839 OD2 ASP A 56 -21.603 -2.671 10.090 1.00 0.00 O ATOM 0 H ASP A 56 -17.134 -3.989 10.442 1.00 0.00 H new ATOM 0 HA ASP A 56 -18.704 -1.741 11.059 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -19.422 -3.791 9.740 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -19.479 -4.673 11.254 1.00 0.00 H new ATOM 844 N ALA A 57 -18.715 -1.445 13.383 1.00 0.00 N ATOM 845 CA ALA A 57 -19.038 -1.068 14.724 1.00 0.00 C ATOM 846 C ALA A 57 -20.433 -0.589 14.930 1.00 0.00 C ATOM 847 O ALA A 57 -20.917 -0.546 16.060 1.00 0.00 O ATOM 848 CB ALA A 57 -18.051 0.049 15.106 1.00 0.00 C ATOM 0 H ALA A 57 -18.616 -0.625 12.784 1.00 0.00 H new ATOM 0 HA ALA A 57 -18.959 -1.957 15.349 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -18.251 0.378 16.126 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -17.031 -0.329 15.040 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -18.171 0.890 14.423 1.00 0.00 H new ATOM 854 N ASP A 58 -21.130 -0.302 13.815 1.00 0.00 N ATOM 855 CA ASP A 58 -22.415 0.321 13.739 1.00 0.00 C ATOM 856 C ASP A 58 -23.629 -0.509 13.974 1.00 0.00 C ATOM 857 O ASP A 58 -24.506 -0.273 14.804 1.00 0.00 O ATOM 858 CB ASP A 58 -22.499 1.406 12.652 1.00 0.00 C ATOM 859 CG ASP A 58 -22.569 0.716 11.296 1.00 0.00 C ATOM 860 OD1 ASP A 58 -23.642 0.215 10.866 1.00 0.00 O ATOM 861 OD2 ASP A 58 -21.626 0.894 10.480 1.00 0.00 O ATOM 0 H ASP A 58 -20.762 -0.525 12.890 1.00 0.00 H new ATOM 0 HA ASP A 58 -22.470 0.867 14.681 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -23.378 2.031 12.806 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -21.629 2.061 12.701 1.00 0.00 H new ATOM 866 N GLY A 59 -23.509 -1.705 13.370 1.00 0.00 N ATOM 867 CA GLY A 59 -24.252 -2.848 13.801 1.00 0.00 C ATOM 868 C GLY A 59 -25.119 -3.397 12.721 1.00 0.00 C ATOM 869 O GLY A 59 -25.781 -4.410 12.939 1.00 0.00 O ATOM 0 H GLY A 59 -22.892 -1.881 12.577 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -23.562 -3.621 14.139 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -24.870 -2.576 14.657 1.00 0.00 H new ATOM 873 N ASN A 60 -25.058 -2.853 11.492 1.00 0.00 N ATOM 874 CA ASN A 60 -25.760 -3.433 10.390 1.00 0.00 C ATOM 875 C ASN A 60 -25.144 -4.639 9.769 1.00 0.00 C ATOM 876 O ASN A 60 -25.784 -5.504 9.173 1.00 0.00 O ATOM 877 CB ASN A 60 -26.338 -2.456 9.353 1.00 0.00 C ATOM 878 CG ASN A 60 -25.286 -1.605 8.656 1.00 0.00 C ATOM 879 OD1 ASN A 60 -24.082 -1.809 8.804 1.00 0.00 O ATOM 880 ND2 ASN A 60 -25.725 -0.548 7.923 1.00 0.00 N ATOM 0 H ASN A 60 -24.524 -2.015 11.262 1.00 0.00 H new ATOM 0 HA ASN A 60 -26.633 -3.816 10.919 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -26.889 -3.022 8.602 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -27.054 -1.799 9.846 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -25.054 0.086 7.489 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -26.726 -0.388 7.807 1.00 0.00 H new ATOM 887 N GLY A 61 -23.802 -4.683 9.852 1.00 0.00 N ATOM 888 CA GLY A 61 -23.005 -5.708 9.252 1.00 0.00 C ATOM 889 C GLY A 61 -22.741 -5.649 7.787 1.00 0.00 C ATOM 890 O GLY A 61 -22.145 -6.507 7.136 1.00 0.00 O ATOM 0 H GLY A 61 -23.254 -3.983 10.352 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -22.041 -5.716 9.761 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -23.484 -6.664 9.462 1.00 0.00 H new ATOM 894 N THR A 62 -23.170 -4.501 7.233 1.00 0.00 N ATOM 895 CA THR A 62 -23.030 -4.326 5.821 1.00 0.00 C ATOM 896 C THR A 62 -22.449 -2.963 5.666 1.00 0.00 C ATOM 897 O THR A 62 -22.505 -2.157 6.593 1.00 0.00 O ATOM 898 CB THR A 62 -24.301 -4.457 5.034 1.00 0.00 C ATOM 899 OG1 THR A 62 -25.497 -3.826 5.465 1.00 0.00 O ATOM 900 CG2 THR A 62 -24.639 -5.933 4.761 1.00 0.00 C ATOM 0 H THR A 62 -23.597 -3.724 7.737 1.00 0.00 H new ATOM 0 HA THR A 62 -22.404 -5.121 5.416 1.00 0.00 H new ATOM 0 HB THR A 62 -24.010 -3.880 4.156 1.00 0.00 H new ATOM 0 HG1 THR A 62 -25.953 -3.428 4.694 1.00 0.00 H new ATOM 0 HG21 THR A 62 -25.565 -5.994 4.189 1.00 0.00 H new ATOM 0 HG22 THR A 62 -23.830 -6.392 4.193 1.00 0.00 H new ATOM 0 HG23 THR A 62 -24.762 -6.459 5.708 1.00 0.00 H new ATOM 908 N ILE A 63 -21.744 -2.745 4.542 1.00 0.00 N ATOM 909 CA ILE A 63 -20.905 -1.600 4.363 1.00 0.00 C ATOM 910 C ILE A 63 -21.758 -0.457 3.929 1.00 0.00 C ATOM 911 O ILE A 63 -22.231 -0.434 2.794 1.00 0.00 O ATOM 912 CB ILE A 63 -19.695 -1.943 3.546 1.00 0.00 C ATOM 913 CG1 ILE A 63 -18.909 -3.101 4.185 1.00 0.00 C ATOM 914 CG2 ILE A 63 -18.797 -0.724 3.271 1.00 0.00 C ATOM 915 CD1 ILE A 63 -18.281 -2.866 5.558 1.00 0.00 C ATOM 0 H ILE A 63 -21.757 -3.376 3.741 1.00 0.00 H new ATOM 0 HA ILE A 63 -20.446 -1.258 5.290 1.00 0.00 H new ATOM 0 HB ILE A 63 -20.053 -2.277 2.572 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -19.580 -3.956 4.266 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -18.113 -3.385 3.497 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -17.937 -1.032 2.676 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -19.364 0.030 2.725 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -18.452 -0.305 4.217 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -17.761 -3.768 5.880 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -17.572 -2.041 5.497 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -19.062 -2.621 6.278 1.00 0.00 H new ATOM 927 N ASP A 64 -21.988 0.571 4.764 1.00 0.00 N ATOM 928 CA ASP A 64 -22.701 1.762 4.418 1.00 0.00 C ATOM 929 C ASP A 64 -21.895 2.952 4.026 1.00 0.00 C ATOM 930 O ASP A 64 -20.671 2.833 4.044 1.00 0.00 O ATOM 931 CB ASP A 64 -23.664 2.066 5.578 1.00 0.00 C ATOM 932 CG ASP A 64 -22.995 2.087 6.945 1.00 0.00 C ATOM 933 OD1 ASP A 64 -22.877 1.069 7.677 1.00 0.00 O ATOM 934 OD2 ASP A 64 -22.571 3.214 7.319 1.00 0.00 O ATOM 0 H ASP A 64 -21.660 0.572 5.730 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.226 1.554 3.486 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -24.137 3.032 5.401 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -24.457 1.319 5.584 1.00 0.00 H new ATOM 939 N PHE A 65 -22.441 4.125 3.660 1.00 0.00 N ATOM 940 CA PHE A 65 -21.719 5.233 3.118 1.00 0.00 C ATOM 941 C PHE A 65 -20.600 5.801 3.922 1.00 0.00 C ATOM 942 O PHE A 65 -19.513 5.969 3.370 1.00 0.00 O ATOM 943 CB PHE A 65 -22.647 6.344 2.599 1.00 0.00 C ATOM 944 CG PHE A 65 -21.944 7.480 1.939 1.00 0.00 C ATOM 945 CD1 PHE A 65 -21.192 7.177 0.829 1.00 0.00 C ATOM 946 CD2 PHE A 65 -21.697 8.726 2.466 1.00 0.00 C ATOM 947 CE1 PHE A 65 -20.352 8.048 0.176 1.00 0.00 C ATOM 948 CE2 PHE A 65 -20.908 9.627 1.791 1.00 0.00 C ATOM 949 CZ PHE A 65 -20.289 9.356 0.593 1.00 0.00 C ATOM 0 H PHE A 65 -23.440 4.310 3.747 1.00 0.00 H new ATOM 0 HA PHE A 65 -21.204 4.760 2.282 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -23.352 5.909 1.891 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -23.231 6.731 3.434 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -21.267 6.173 0.438 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -22.127 8.999 3.418 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -19.750 7.709 -0.654 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -20.766 10.605 2.227 1.00 0.00 H new ATOM 0 HZ PHE A 65 -19.787 10.120 0.018 1.00 0.00 H new ATOM 959 N PRO A 66 -20.564 6.156 5.172 1.00 0.00 N ATOM 960 CA PRO A 66 -19.492 6.842 5.833 1.00 0.00 C ATOM 961 C PRO A 66 -18.397 5.882 6.151 1.00 0.00 C ATOM 962 O PRO A 66 -17.236 6.223 6.372 1.00 0.00 O ATOM 963 CB PRO A 66 -20.028 7.514 7.095 1.00 0.00 C ATOM 964 CG PRO A 66 -21.393 6.835 7.287 1.00 0.00 C ATOM 965 CD PRO A 66 -21.803 6.237 5.931 1.00 0.00 C ATOM 0 HA PRO A 66 -19.081 7.612 5.180 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.371 7.352 7.950 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.126 8.592 6.969 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -21.331 6.056 8.047 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -22.136 7.556 7.629 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -22.257 5.254 6.053 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -22.536 6.866 5.426 1.00 0.00 H new ATOM 973 N GLU A 67 -18.871 4.624 6.186 1.00 0.00 N ATOM 974 CA GLU A 67 -18.078 3.462 6.438 1.00 0.00 C ATOM 975 C GLU A 67 -17.256 3.161 5.232 1.00 0.00 C ATOM 976 O GLU A 67 -16.058 2.905 5.330 1.00 0.00 O ATOM 977 CB GLU A 67 -18.965 2.267 6.826 1.00 0.00 C ATOM 978 CG GLU A 67 -18.212 1.161 7.569 1.00 0.00 C ATOM 979 CD GLU A 67 -19.273 0.171 8.030 1.00 0.00 C ATOM 980 OE1 GLU A 67 -20.212 -0.044 7.217 1.00 0.00 O ATOM 981 OE2 GLU A 67 -19.291 -0.273 9.209 1.00 0.00 O ATOM 0 H GLU A 67 -19.856 4.407 6.031 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.412 3.652 7.280 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.784 2.621 7.452 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -19.411 1.848 5.924 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.484 0.678 6.917 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.661 1.566 8.418 1.00 0.00 H new ATOM 988 N PHE A 68 -17.928 3.177 4.066 1.00 0.00 N ATOM 989 CA PHE A 68 -17.256 3.161 2.804 1.00 0.00 C ATOM 990 C PHE A 68 -16.297 4.271 2.540 1.00 0.00 C ATOM 991 O PHE A 68 -15.242 4.061 1.945 1.00 0.00 O ATOM 992 CB PHE A 68 -18.360 3.032 1.742 1.00 0.00 C ATOM 993 CG PHE A 68 -17.800 2.951 0.364 1.00 0.00 C ATOM 994 CD1 PHE A 68 -17.125 1.833 -0.066 1.00 0.00 C ATOM 995 CD2 PHE A 68 -17.934 4.008 -0.506 1.00 0.00 C ATOM 996 CE1 PHE A 68 -16.734 1.762 -1.382 1.00 0.00 C ATOM 997 CE2 PHE A 68 -17.402 3.990 -1.774 1.00 0.00 C ATOM 998 CZ PHE A 68 -16.882 2.812 -2.256 1.00 0.00 C ATOM 0 H PHE A 68 -18.945 3.201 3.998 1.00 0.00 H new ATOM 0 HA PHE A 68 -16.570 2.314 2.786 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -18.956 2.142 1.944 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -19.032 3.888 1.811 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -16.906 1.026 0.617 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -18.477 4.884 -0.182 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -16.293 0.845 -1.743 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -17.393 4.884 -2.380 1.00 0.00 H new ATOM 0 HZ PHE A 68 -16.598 2.715 -3.293 1.00 0.00 H new ATOM 1008 N LEU A 69 -16.657 5.456 3.066 1.00 0.00 N ATOM 1009 CA LEU A 69 -15.853 6.627 2.901 1.00 0.00 C ATOM 1010 C LEU A 69 -14.574 6.614 3.664 1.00 0.00 C ATOM 1011 O LEU A 69 -13.530 7.076 3.206 1.00 0.00 O ATOM 1012 CB LEU A 69 -16.872 7.737 3.209 1.00 0.00 C ATOM 1013 CG LEU A 69 -16.407 9.182 3.453 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -17.716 9.990 3.452 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -15.589 9.427 4.732 1.00 0.00 C ATOM 0 H LEU A 69 -17.509 5.603 3.608 1.00 0.00 H new ATOM 0 HA LEU A 69 -15.415 6.754 1.911 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -17.579 7.763 2.380 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -17.429 7.425 4.093 1.00 0.00 H new ATOM 0 HG LEU A 69 -15.694 9.475 2.682 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -17.493 11.044 3.620 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -18.215 9.873 2.490 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -18.369 9.626 4.246 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -15.319 10.481 4.795 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -16.184 9.153 5.603 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -14.683 8.821 4.706 1.00 0.00 H new ATOM 1027 N THR A 70 -14.603 6.006 4.864 1.00 0.00 N ATOM 1028 CA THR A 70 -13.384 5.816 5.588 1.00 0.00 C ATOM 1029 C THR A 70 -12.628 4.662 5.024 1.00 0.00 C ATOM 1030 O THR A 70 -11.403 4.750 4.964 1.00 0.00 O ATOM 1031 CB THR A 70 -13.680 5.527 7.030 1.00 0.00 C ATOM 1032 OG1 THR A 70 -14.544 6.478 7.635 1.00 0.00 O ATOM 1033 CG2 THR A 70 -12.373 5.585 7.840 1.00 0.00 C ATOM 0 H THR A 70 -15.444 5.655 5.323 1.00 0.00 H new ATOM 0 HA THR A 70 -12.792 6.727 5.504 1.00 0.00 H new ATOM 0 HB THR A 70 -14.157 4.547 7.040 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.435 6.413 7.233 1.00 0.00 H new ATOM 0 HG21 THR A 70 -12.585 5.375 8.888 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.674 4.843 7.456 1.00 0.00 H new ATOM 0 HG23 THR A 70 -11.933 6.578 7.750 1.00 0.00 H new ATOM 1041 N MET A 71 -13.345 3.681 4.447 1.00 0.00 N ATOM 1042 CA MET A 71 -12.771 2.533 3.815 1.00 0.00 C ATOM 1043 C MET A 71 -11.882 2.834 2.659 1.00 0.00 C ATOM 1044 O MET A 71 -10.767 2.340 2.498 1.00 0.00 O ATOM 1045 CB MET A 71 -13.790 1.389 3.670 1.00 0.00 C ATOM 1046 CG MET A 71 -13.194 0.041 3.260 1.00 0.00 C ATOM 1047 SD MET A 71 -14.543 -1.144 2.976 1.00 0.00 S ATOM 1048 CE MET A 71 -13.642 -2.026 1.669 1.00 0.00 C ATOM 0 H MET A 71 -14.365 3.688 4.420 1.00 0.00 H new ATOM 0 HA MET A 71 -12.029 2.118 4.497 1.00 0.00 H new ATOM 0 HB2 MET A 71 -14.312 1.265 4.619 1.00 0.00 H new ATOM 0 HB3 MET A 71 -14.537 1.679 2.931 1.00 0.00 H new ATOM 0 HG2 MET A 71 -12.596 0.154 2.356 1.00 0.00 H new ATOM 0 HG3 MET A 71 -12.527 -0.328 4.039 1.00 0.00 H new ATOM 0 HE1 MET A 71 -14.256 -2.843 1.291 1.00 0.00 H new ATOM 0 HE2 MET A 71 -13.415 -1.337 0.855 1.00 0.00 H new ATOM 0 HE3 MET A 71 -12.713 -2.428 2.075 1.00 0.00 H new ATOM 1058 N MET A 72 -12.416 3.637 1.721 1.00 0.00 N ATOM 1059 CA MET A 72 -11.800 4.104 0.518 1.00 0.00 C ATOM 1060 C MET A 72 -10.671 5.016 0.857 1.00 0.00 C ATOM 1061 O MET A 72 -9.624 4.974 0.214 1.00 0.00 O ATOM 1062 CB MET A 72 -12.869 4.753 -0.377 1.00 0.00 C ATOM 1063 CG MET A 72 -13.630 3.916 -1.407 1.00 0.00 C ATOM 1064 SD MET A 72 -12.534 2.848 -2.388 1.00 0.00 S ATOM 1065 CE MET A 72 -12.811 1.268 -1.536 1.00 0.00 C ATOM 0 H MET A 72 -13.368 3.991 1.816 1.00 0.00 H new ATOM 0 HA MET A 72 -11.370 3.279 -0.050 1.00 0.00 H new ATOM 0 HB2 MET A 72 -13.610 5.204 0.282 1.00 0.00 H new ATOM 0 HB3 MET A 72 -12.386 5.567 -0.917 1.00 0.00 H new ATOM 0 HG2 MET A 72 -14.368 3.299 -0.894 1.00 0.00 H new ATOM 0 HG3 MET A 72 -14.178 4.580 -2.076 1.00 0.00 H new ATOM 0 HE1 MET A 72 -12.076 0.538 -1.875 1.00 0.00 H new ATOM 0 HE2 MET A 72 -12.710 1.412 -0.460 1.00 0.00 H new ATOM 0 HE3 MET A 72 -13.814 0.904 -1.761 1.00 0.00 H new ATOM 1075 N ALA A 73 -10.822 5.838 1.911 1.00 0.00 N ATOM 1076 CA ALA A 73 -9.714 6.643 2.322 1.00 0.00 C ATOM 1077 C ALA A 73 -8.514 6.013 2.941 1.00 0.00 C ATOM 1078 O ALA A 73 -7.432 6.595 2.989 1.00 0.00 O ATOM 1079 CB ALA A 73 -10.218 7.794 3.209 1.00 0.00 C ATOM 0 H ALA A 73 -11.675 5.945 2.460 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.309 6.966 1.363 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.374 8.408 3.523 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.922 8.406 2.646 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.716 7.385 4.088 1.00 0.00 H new ATOM 1234 N GLU A 83 4.585 12.296 2.778 1.00 0.00 N ATOM 1235 CA GLU A 83 4.450 12.954 4.040 1.00 0.00 C ATOM 1236 C GLU A 83 3.359 12.423 4.905 1.00 0.00 C ATOM 1237 O GLU A 83 3.425 12.324 6.129 1.00 0.00 O ATOM 1238 CB GLU A 83 4.334 14.476 3.851 1.00 0.00 C ATOM 1239 CG GLU A 83 4.755 15.301 5.069 1.00 0.00 C ATOM 1240 CD GLU A 83 6.271 15.316 5.206 1.00 0.00 C ATOM 1241 OE1 GLU A 83 7.033 15.867 4.367 1.00 0.00 O ATOM 1242 OE2 GLU A 83 6.798 14.607 6.104 1.00 0.00 O ATOM 0 HA GLU A 83 5.367 12.732 4.586 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.946 14.771 2.999 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.302 14.721 3.602 1.00 0.00 H new ATOM 0 HG2 GLU A 83 4.383 16.321 4.971 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.307 14.884 5.971 1.00 0.00 H new ATOM 1249 N GLU A 84 2.347 11.844 4.235 1.00 0.00 N ATOM 1250 CA GLU A 84 1.335 11.045 4.854 1.00 0.00 C ATOM 1251 C GLU A 84 1.843 9.789 5.472 1.00 0.00 C ATOM 1252 O GLU A 84 1.471 9.392 6.576 1.00 0.00 O ATOM 1253 CB GLU A 84 0.229 10.685 3.848 1.00 0.00 C ATOM 1254 CG GLU A 84 -0.873 11.740 3.731 1.00 0.00 C ATOM 1255 CD GLU A 84 -1.804 11.701 4.934 1.00 0.00 C ATOM 1256 OE1 GLU A 84 -2.500 10.669 5.131 1.00 0.00 O ATOM 1257 OE2 GLU A 84 -1.749 12.642 5.771 1.00 0.00 O ATOM 0 H GLU A 84 2.229 11.935 3.226 1.00 0.00 H new ATOM 0 HA GLU A 84 0.941 11.666 5.658 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.679 10.535 2.867 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.220 9.736 4.141 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.425 12.730 3.647 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.446 11.571 2.819 1.00 0.00 H new ATOM 1264 N ILE A 85 2.814 9.092 4.855 1.00 0.00 N ATOM 1265 CA ILE A 85 3.535 7.970 5.370 1.00 0.00 C ATOM 1266 C ILE A 85 4.433 8.284 6.517 1.00 0.00 C ATOM 1267 O ILE A 85 4.473 7.633 7.560 1.00 0.00 O ATOM 1268 CB ILE A 85 4.078 7.114 4.264 1.00 0.00 C ATOM 1269 CG1 ILE A 85 3.067 6.907 3.124 1.00 0.00 C ATOM 1270 CG2 ILE A 85 4.618 5.773 4.790 1.00 0.00 C ATOM 1271 CD1 ILE A 85 1.660 6.358 3.357 1.00 0.00 C ATOM 0 H ILE A 85 3.120 9.337 3.913 1.00 0.00 H new ATOM 0 HA ILE A 85 2.825 7.315 5.875 1.00 0.00 H new ATOM 0 HB ILE A 85 4.919 7.662 3.839 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.946 7.874 2.636 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.544 6.244 2.402 1.00 0.00 H new ATOM 0 HG21 ILE A 85 5.002 5.183 3.957 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.421 5.959 5.503 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.815 5.225 5.282 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.130 6.300 2.406 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.726 5.363 3.797 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.119 7.019 4.034 1.00 0.00 H new ATOM 1283 N ARG A 86 5.193 9.385 6.376 1.00 0.00 N ATOM 1284 CA ARG A 86 5.928 9.928 7.476 1.00 0.00 C ATOM 1285 C ARG A 86 5.280 10.496 8.692 1.00 0.00 C ATOM 1286 O ARG A 86 5.829 10.382 9.787 1.00 0.00 O ATOM 1287 CB ARG A 86 6.793 11.025 6.834 1.00 0.00 C ATOM 1288 CG ARG A 86 7.782 10.580 5.754 1.00 0.00 C ATOM 1289 CD ARG A 86 8.984 11.433 5.344 1.00 0.00 C ATOM 1290 NE ARG A 86 8.397 12.611 4.646 1.00 0.00 N ATOM 1291 CZ ARG A 86 8.899 13.093 3.471 1.00 0.00 C ATOM 1292 NH1 ARG A 86 9.725 12.370 2.659 1.00 0.00 N ATOM 1293 NH2 ARG A 86 8.383 14.240 2.941 1.00 0.00 N ATOM 0 H ARG A 86 5.298 9.899 5.501 1.00 0.00 H new ATOM 0 HA ARG A 86 6.399 9.056 7.929 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.128 11.771 6.399 1.00 0.00 H new ATOM 0 HB3 ARG A 86 7.355 11.521 7.625 1.00 0.00 H new ATOM 0 HG2 ARG A 86 8.177 9.615 6.070 1.00 0.00 H new ATOM 0 HG3 ARG A 86 7.200 10.405 4.849 1.00 0.00 H new ATOM 0 HD2 ARG A 86 9.567 11.739 6.213 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.656 10.880 4.688 1.00 0.00 H new ATOM 0 HE ARG A 86 7.589 13.075 5.062 1.00 0.00 H new ATOM 0 HH11 ARG A 86 9.995 11.422 2.920 1.00 0.00 H new ATOM 0 HH12 ARG A 86 10.072 12.778 1.791 1.00 0.00 H new ATOM 0 HH21 ARG A 86 7.629 14.730 3.422 1.00 0.00 H new ATOM 0 HH22 ARG A 86 8.752 14.607 2.064 1.00 0.00 H new ATOM 1307 N GLU A 87 4.092 11.116 8.590 1.00 0.00 N ATOM 1308 CA GLU A 87 3.215 11.375 9.689 1.00 0.00 C ATOM 1309 C GLU A 87 2.495 10.189 10.233 1.00 0.00 C ATOM 1310 O GLU A 87 2.244 10.063 11.430 1.00 0.00 O ATOM 1311 CB GLU A 87 2.271 12.545 9.363 1.00 0.00 C ATOM 1312 CG GLU A 87 1.539 13.137 10.569 1.00 0.00 C ATOM 1313 CD GLU A 87 2.438 14.097 11.335 1.00 0.00 C ATOM 1314 OE1 GLU A 87 2.663 15.162 10.701 1.00 0.00 O ATOM 1315 OE2 GLU A 87 2.770 13.964 12.544 1.00 0.00 O ATOM 0 H GLU A 87 3.725 11.453 7.700 1.00 0.00 H new ATOM 0 HA GLU A 87 3.864 11.665 10.515 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.848 13.335 8.883 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.531 12.205 8.638 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.643 13.660 10.234 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.211 12.335 11.230 1.00 0.00 H new ATOM 1322 N ALA A 88 2.109 9.145 9.478 1.00 0.00 N ATOM 1323 CA ALA A 88 1.636 7.889 9.973 1.00 0.00 C ATOM 1324 C ALA A 88 2.601 7.150 10.835 1.00 0.00 C ATOM 1325 O ALA A 88 2.201 6.597 11.858 1.00 0.00 O ATOM 1326 CB ALA A 88 1.070 6.963 8.883 1.00 0.00 C ATOM 0 H ALA A 88 2.129 9.181 8.459 1.00 0.00 H new ATOM 0 HA ALA A 88 0.809 8.187 10.618 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.732 6.031 9.337 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.230 7.452 8.390 1.00 0.00 H new ATOM 0 HB3 ALA A 88 1.846 6.748 8.149 1.00 0.00 H new ATOM 1332 N PHE A 89 3.922 7.168 10.583 1.00 0.00 N ATOM 1333 CA PHE A 89 4.975 6.894 11.509 1.00 0.00 C ATOM 1334 C PHE A 89 4.922 7.628 12.805 1.00 0.00 C ATOM 1335 O PHE A 89 5.002 7.072 13.899 1.00 0.00 O ATOM 1336 CB PHE A 89 6.294 6.965 10.722 1.00 0.00 C ATOM 1337 CG PHE A 89 7.357 6.286 11.516 1.00 0.00 C ATOM 1338 CD1 PHE A 89 8.111 6.797 12.546 1.00 0.00 C ATOM 1339 CD2 PHE A 89 7.563 4.952 11.256 1.00 0.00 C ATOM 1340 CE1 PHE A 89 9.026 6.047 13.246 1.00 0.00 C ATOM 1341 CE2 PHE A 89 8.528 4.217 11.904 1.00 0.00 C ATOM 1342 CZ PHE A 89 9.274 4.730 12.938 1.00 0.00 C ATOM 0 H PHE A 89 4.280 7.393 9.655 1.00 0.00 H new ATOM 0 HA PHE A 89 4.857 5.887 11.909 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.182 6.484 9.750 1.00 0.00 H new ATOM 0 HB3 PHE A 89 6.567 8.003 10.534 1.00 0.00 H new ATOM 0 HD1 PHE A 89 7.978 7.834 12.817 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.945 4.464 10.517 1.00 0.00 H new ATOM 0 HE1 PHE A 89 9.566 6.505 14.061 1.00 0.00 H new ATOM 0 HE2 PHE A 89 8.706 3.199 11.589 1.00 0.00 H new ATOM 0 HZ PHE A 89 10.004 4.140 13.472 1.00 0.00 H new ATOM 1352 N ARG A 90 4.733 8.956 12.709 1.00 0.00 N ATOM 1353 CA ARG A 90 4.691 9.737 13.907 1.00 0.00 C ATOM 1354 C ARG A 90 3.532 9.634 14.838 1.00 0.00 C ATOM 1355 O ARG A 90 3.710 9.602 16.055 1.00 0.00 O ATOM 1356 CB ARG A 90 4.923 11.181 13.429 1.00 0.00 C ATOM 1357 CG ARG A 90 5.401 12.103 14.552 1.00 0.00 C ATOM 1358 CD ARG A 90 6.221 13.306 14.080 1.00 0.00 C ATOM 1359 NE ARG A 90 5.414 14.086 13.099 1.00 0.00 N ATOM 1360 CZ ARG A 90 6.027 14.983 12.273 1.00 0.00 C ATOM 1361 NH1 ARG A 90 7.373 15.202 12.329 1.00 0.00 N ATOM 1362 NH2 ARG A 90 5.373 15.719 11.328 1.00 0.00 N ATOM 0 H ARG A 90 4.613 9.474 11.838 1.00 0.00 H new ATOM 0 HA ARG A 90 5.451 9.326 14.572 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.660 11.180 12.626 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.997 11.574 13.010 1.00 0.00 H new ATOM 0 HG2 ARG A 90 4.532 12.465 15.102 1.00 0.00 H new ATOM 0 HG3 ARG A 90 6.002 11.522 15.251 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.492 13.934 14.929 1.00 0.00 H new ATOM 0 HD3 ARG A 90 7.151 12.971 13.621 1.00 0.00 H new ATOM 0 HE ARG A 90 4.405 13.949 13.045 1.00 0.00 H new ATOM 0 HH11 ARG A 90 7.946 14.689 13.000 1.00 0.00 H new ATOM 0 HH12 ARG A 90 7.806 15.878 11.700 1.00 0.00 H new ATOM 0 HH21 ARG A 90 4.365 15.615 11.208 1.00 0.00 H new ATOM 0 HH22 ARG A 90 5.892 16.373 10.742 1.00 0.00 H new ATOM 1376 N VAL A 91 2.324 9.503 14.262 1.00 0.00 N ATOM 1377 CA VAL A 91 1.181 8.984 14.945 1.00 0.00 C ATOM 1378 C VAL A 91 1.464 7.763 15.751 1.00 0.00 C ATOM 1379 O VAL A 91 1.012 7.629 16.887 1.00 0.00 O ATOM 1380 CB VAL A 91 0.159 8.584 13.922 1.00 0.00 C ATOM 1381 CG1 VAL A 91 -1.031 7.669 14.256 1.00 0.00 C ATOM 1382 CG2 VAL A 91 -0.500 9.871 13.397 1.00 0.00 C ATOM 0 H VAL A 91 2.137 9.765 13.294 1.00 0.00 H new ATOM 0 HA VAL A 91 0.845 9.772 15.619 1.00 0.00 H new ATOM 0 HB VAL A 91 0.778 7.980 13.259 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.636 7.517 13.362 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.662 6.707 14.612 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.640 8.133 15.032 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.251 9.616 12.649 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.976 10.399 14.223 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.259 10.511 12.946 1.00 0.00 H new ATOM 1392 N PHE A 92 2.263 6.784 15.290 1.00 0.00 N ATOM 1393 CA PHE A 92 2.519 5.583 16.022 1.00 0.00 C ATOM 1394 C PHE A 92 3.580 5.865 17.030 1.00 0.00 C ATOM 1395 O PHE A 92 3.473 5.338 18.136 1.00 0.00 O ATOM 1396 CB PHE A 92 3.005 4.462 15.087 1.00 0.00 C ATOM 1397 CG PHE A 92 1.842 4.013 14.271 1.00 0.00 C ATOM 1398 CD1 PHE A 92 0.647 3.570 14.788 1.00 0.00 C ATOM 1399 CD2 PHE A 92 2.043 3.745 12.937 1.00 0.00 C ATOM 1400 CE1 PHE A 92 -0.382 3.138 13.986 1.00 0.00 C ATOM 1401 CE2 PHE A 92 1.064 3.222 12.125 1.00 0.00 C ATOM 1402 CZ PHE A 92 -0.179 2.940 12.641 1.00 0.00 C ATOM 0 H PHE A 92 2.741 6.828 14.390 1.00 0.00 H new ATOM 0 HA PHE A 92 1.597 5.256 16.504 1.00 0.00 H new ATOM 0 HB2 PHE A 92 3.807 4.823 14.443 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.410 3.631 15.665 1.00 0.00 H new ATOM 0 HD1 PHE A 92 0.513 3.561 15.860 1.00 0.00 H new ATOM 0 HD2 PHE A 92 3.012 3.954 12.508 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.356 2.953 14.415 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.271 3.033 11.082 1.00 0.00 H new ATOM 0 HZ PHE A 92 -0.973 2.573 12.008 1.00 0.00 H new ATOM 1412 N ASP A 93 4.749 6.416 16.658 1.00 0.00 N ATOM 1413 CA ASP A 93 5.772 6.723 17.610 1.00 0.00 C ATOM 1414 C ASP A 93 5.389 7.715 18.653 1.00 0.00 C ATOM 1415 O ASP A 93 4.963 8.829 18.350 1.00 0.00 O ATOM 1416 CB ASP A 93 7.006 7.125 16.784 1.00 0.00 C ATOM 1417 CG ASP A 93 8.241 7.209 17.669 1.00 0.00 C ATOM 1418 OD1 ASP A 93 8.920 6.181 17.934 1.00 0.00 O ATOM 1419 OD2 ASP A 93 8.612 8.352 18.049 1.00 0.00 O ATOM 0 H ASP A 93 4.987 6.650 15.694 1.00 0.00 H new ATOM 0 HA ASP A 93 5.981 5.848 18.226 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.171 6.397 15.989 1.00 0.00 H new ATOM 0 HB3 ASP A 93 6.831 8.088 16.304 1.00 0.00 H new ATOM 1424 N LYS A 94 5.448 7.355 19.948 1.00 0.00 N ATOM 1425 CA LYS A 94 4.863 8.168 20.969 1.00 0.00 C ATOM 1426 C LYS A 94 5.838 9.094 21.612 1.00 0.00 C ATOM 1427 O LYS A 94 5.569 10.286 21.751 1.00 0.00 O ATOM 1428 CB LYS A 94 4.256 7.298 22.083 1.00 0.00 C ATOM 1429 CG LYS A 94 3.503 8.040 23.189 1.00 0.00 C ATOM 1430 CD LYS A 94 2.245 8.694 22.615 1.00 0.00 C ATOM 1431 CE LYS A 94 1.362 9.358 23.673 1.00 0.00 C ATOM 1432 NZ LYS A 94 0.118 9.864 23.053 1.00 0.00 N ATOM 0 H LYS A 94 5.899 6.505 20.287 1.00 0.00 H new ATOM 0 HA LYS A 94 4.097 8.755 20.463 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.573 6.583 21.625 1.00 0.00 H new ATOM 0 HB3 LYS A 94 5.059 6.722 22.543 1.00 0.00 H new ATOM 0 HG2 LYS A 94 3.232 7.346 23.985 1.00 0.00 H new ATOM 0 HG3 LYS A 94 4.147 8.799 23.633 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.538 9.441 21.878 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.661 7.939 22.089 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.121 8.641 24.458 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.902 10.179 24.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -0.325 10.563 23.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.342 10.313 22.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.539 9.073 22.897 1.00 0.00 H new ATOM 1446 N ASP A 95 7.019 8.593 22.016 1.00 0.00 N ATOM 1447 CA ASP A 95 8.069 9.320 22.660 1.00 0.00 C ATOM 1448 C ASP A 95 8.735 10.436 21.931 1.00 0.00 C ATOM 1449 O ASP A 95 9.015 11.465 22.543 1.00 0.00 O ATOM 1450 CB ASP A 95 9.073 8.285 23.194 1.00 0.00 C ATOM 1451 CG ASP A 95 9.527 7.237 22.189 1.00 0.00 C ATOM 1452 OD1 ASP A 95 9.564 7.526 20.963 1.00 0.00 O ATOM 1453 OD2 ASP A 95 9.811 6.061 22.543 1.00 0.00 O ATOM 0 H ASP A 95 7.256 7.610 21.883 1.00 0.00 H new ATOM 0 HA ASP A 95 7.582 9.895 23.448 1.00 0.00 H new ATOM 0 HB2 ASP A 95 9.952 8.814 23.564 1.00 0.00 H new ATOM 0 HB3 ASP A 95 8.625 7.776 24.047 1.00 0.00 H new ATOM 1458 N GLY A 96 9.015 10.259 20.627 1.00 0.00 N ATOM 1459 CA GLY A 96 9.773 11.198 19.858 1.00 0.00 C ATOM 1460 C GLY A 96 11.077 10.666 19.372 1.00 0.00 C ATOM 1461 O GLY A 96 11.840 11.443 18.801 1.00 0.00 O ATOM 0 H GLY A 96 8.708 9.445 20.095 1.00 0.00 H new ATOM 0 HA2 GLY A 96 9.179 11.515 19.001 1.00 0.00 H new ATOM 0 HA3 GLY A 96 9.957 12.085 20.464 1.00 0.00 H new ATOM 1465 N ASN A 97 11.406 9.405 19.705 1.00 0.00 N ATOM 1466 CA ASN A 97 12.723 8.966 19.359 1.00 0.00 C ATOM 1467 C ASN A 97 12.847 8.481 17.955 1.00 0.00 C ATOM 1468 O ASN A 97 13.939 8.322 17.412 1.00 0.00 O ATOM 1469 CB ASN A 97 13.141 7.906 20.392 1.00 0.00 C ATOM 1470 CG ASN A 97 12.720 6.447 20.292 1.00 0.00 C ATOM 1471 OD1 ASN A 97 11.767 6.008 19.649 1.00 0.00 O ATOM 1472 ND2 ASN A 97 13.428 5.566 21.048 1.00 0.00 N ATOM 0 H ASN A 97 10.808 8.729 20.181 1.00 0.00 H new ATOM 0 HA ASN A 97 13.403 9.817 19.393 1.00 0.00 H new ATOM 0 HB2 ASN A 97 14.231 7.913 20.421 1.00 0.00 H new ATOM 0 HB3 ASN A 97 12.794 8.263 21.361 1.00 0.00 H new ATOM 0 HD21 ASN A 97 13.162 4.581 21.067 1.00 0.00 H new ATOM 0 HD22 ASN A 97 14.225 5.890 21.596 1.00 0.00 H new ATOM 1479 N GLY A 98 11.692 8.199 17.326 1.00 0.00 N ATOM 1480 CA GLY A 98 11.706 7.678 15.994 1.00 0.00 C ATOM 1481 C GLY A 98 11.822 6.201 15.835 1.00 0.00 C ATOM 1482 O GLY A 98 12.310 5.714 14.817 1.00 0.00 O ATOM 0 H GLY A 98 10.764 8.328 17.730 1.00 0.00 H new ATOM 0 HA2 GLY A 98 10.790 7.999 15.497 1.00 0.00 H new ATOM 0 HA3 GLY A 98 12.537 8.140 15.461 1.00 0.00 H new ATOM 1486 N TYR A 99 11.440 5.376 16.826 1.00 0.00 N ATOM 1487 CA TYR A 99 11.568 3.965 16.630 1.00 0.00 C ATOM 1488 C TYR A 99 10.304 3.394 17.174 1.00 0.00 C ATOM 1489 O TYR A 99 9.975 3.561 18.348 1.00 0.00 O ATOM 1490 CB TYR A 99 12.768 3.400 17.408 1.00 0.00 C ATOM 1491 CG TYR A 99 14.086 3.701 16.781 1.00 0.00 C ATOM 1492 CD1 TYR A 99 14.684 4.894 17.112 1.00 0.00 C ATOM 1493 CD2 TYR A 99 14.644 2.831 15.874 1.00 0.00 C ATOM 1494 CE1 TYR A 99 15.909 5.153 16.545 1.00 0.00 C ATOM 1495 CE2 TYR A 99 15.869 3.125 15.322 1.00 0.00 C ATOM 1496 CZ TYR A 99 16.527 4.276 15.685 1.00 0.00 C ATOM 1497 OH TYR A 99 17.754 4.487 15.021 1.00 0.00 O ATOM 0 H TYR A 99 11.058 5.667 17.726 1.00 0.00 H new ATOM 0 HA TYR A 99 11.732 3.720 15.581 1.00 0.00 H new ATOM 0 HB2 TYR A 99 12.756 3.805 18.420 1.00 0.00 H new ATOM 0 HB3 TYR A 99 12.656 2.319 17.496 1.00 0.00 H new ATOM 0 HD1 TYR A 99 14.213 5.595 17.786 1.00 0.00 H new ATOM 0 HD2 TYR A 99 14.125 1.925 15.598 1.00 0.00 H new ATOM 0 HE1 TYR A 99 16.406 6.082 16.784 1.00 0.00 H new ATOM 0 HE2 TYR A 99 16.314 2.452 14.604 1.00 0.00 H new ATOM 0 HH TYR A 99 17.966 3.705 14.470 1.00 0.00 H new ATOM 1507 N ILE A 100 9.485 2.657 16.402 1.00 0.00 N ATOM 1508 CA ILE A 100 8.262 2.129 16.921 1.00 0.00 C ATOM 1509 C ILE A 100 8.421 0.856 17.679 1.00 0.00 C ATOM 1510 O ILE A 100 8.996 -0.117 17.194 1.00 0.00 O ATOM 1511 CB ILE A 100 7.185 1.894 15.904 1.00 0.00 C ATOM 1512 CG1 ILE A 100 6.855 3.211 15.180 1.00 0.00 C ATOM 1513 CG2 ILE A 100 5.873 1.435 16.562 1.00 0.00 C ATOM 1514 CD1 ILE A 100 5.992 2.987 13.940 1.00 0.00 C ATOM 0 H ILE A 100 9.668 2.428 15.425 1.00 0.00 H new ATOM 0 HA ILE A 100 7.956 2.934 17.589 1.00 0.00 H new ATOM 0 HB ILE A 100 7.559 1.129 15.224 1.00 0.00 H new ATOM 0 HG12 ILE A 100 6.336 3.880 15.866 1.00 0.00 H new ATOM 0 HG13 ILE A 100 7.782 3.707 14.891 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.117 1.275 15.793 1.00 0.00 H new ATOM 0 HG22 ILE A 100 6.043 0.504 17.103 1.00 0.00 H new ATOM 0 HG23 ILE A 100 5.527 2.200 17.257 1.00 0.00 H new ATOM 0 HD11 ILE A 100 5.785 3.945 13.463 1.00 0.00 H new ATOM 0 HD12 ILE A 100 6.521 2.340 13.241 1.00 0.00 H new ATOM 0 HD13 ILE A 100 5.053 2.516 14.231 1.00 0.00 H new ATOM 1526 N SER A 101 8.070 0.814 18.977 1.00 0.00 N ATOM 1527 CA SER A 101 8.168 -0.380 19.758 1.00 0.00 C ATOM 1528 C SER A 101 6.771 -0.893 19.836 1.00 0.00 C ATOM 1529 O SER A 101 5.805 -0.145 19.691 1.00 0.00 O ATOM 1530 CB SER A 101 8.847 -0.077 21.104 1.00 0.00 C ATOM 1531 OG SER A 101 8.162 0.824 21.962 1.00 0.00 O ATOM 0 H SER A 101 7.713 1.619 19.491 1.00 0.00 H new ATOM 0 HA SER A 101 8.804 -1.154 19.328 1.00 0.00 H new ATOM 0 HB2 SER A 101 8.987 -1.018 21.637 1.00 0.00 H new ATOM 0 HB3 SER A 101 9.839 0.327 20.904 1.00 0.00 H new ATOM 0 HG SER A 101 8.050 1.686 21.509 1.00 0.00 H new ATOM 1537 N ALA A 102 6.423 -2.173 20.059 1.00 0.00 N ATOM 1538 CA ALA A 102 5.082 -2.661 20.144 1.00 0.00 C ATOM 1539 C ALA A 102 4.111 -2.008 21.067 1.00 0.00 C ATOM 1540 O ALA A 102 2.910 -1.987 20.802 1.00 0.00 O ATOM 1541 CB ALA A 102 5.155 -4.100 20.681 1.00 0.00 C ATOM 0 H ALA A 102 7.118 -2.909 20.187 1.00 0.00 H new ATOM 0 HA ALA A 102 4.711 -2.487 19.134 1.00 0.00 H new ATOM 0 HB1 ALA A 102 4.148 -4.510 20.761 1.00 0.00 H new ATOM 0 HB2 ALA A 102 5.744 -4.713 19.999 1.00 0.00 H new ATOM 0 HB3 ALA A 102 5.625 -4.098 21.664 1.00 0.00 H new ATOM 1547 N ALA A 103 4.577 -1.359 22.149 1.00 0.00 N ATOM 1548 CA ALA A 103 3.608 -0.766 23.017 1.00 0.00 C ATOM 1549 C ALA A 103 3.143 0.527 22.441 1.00 0.00 C ATOM 1550 O ALA A 103 1.992 0.888 22.684 1.00 0.00 O ATOM 1551 CB ALA A 103 4.251 -0.417 24.370 1.00 0.00 C ATOM 0 H ALA A 103 5.556 -1.248 22.412 1.00 0.00 H new ATOM 0 HA ALA A 103 2.790 -1.476 23.136 1.00 0.00 H new ATOM 0 HB1 ALA A 103 3.503 0.034 25.023 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.638 -1.324 24.834 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.068 0.287 24.214 1.00 0.00 H new ATOM 1557 N GLU A 104 3.868 1.148 21.494 1.00 0.00 N ATOM 1558 CA GLU A 104 3.511 2.326 20.765 1.00 0.00 C ATOM 1559 C GLU A 104 2.580 1.944 19.666 1.00 0.00 C ATOM 1560 O GLU A 104 1.647 2.708 19.425 1.00 0.00 O ATOM 1561 CB GLU A 104 4.783 3.070 20.324 1.00 0.00 C ATOM 1562 CG GLU A 104 5.701 3.333 21.519 1.00 0.00 C ATOM 1563 CD GLU A 104 6.969 3.938 20.933 1.00 0.00 C ATOM 1564 OE1 GLU A 104 7.020 5.190 20.800 1.00 0.00 O ATOM 1565 OE2 GLU A 104 7.944 3.215 20.596 1.00 0.00 O ATOM 0 H GLU A 104 4.783 0.794 21.215 1.00 0.00 H new ATOM 0 HA GLU A 104 2.969 3.042 21.383 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.313 2.481 19.575 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.512 4.015 19.853 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.234 4.014 22.230 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.919 2.410 22.057 1.00 0.00 H new ATOM 1572 N LEU A 105 2.766 0.771 19.034 1.00 0.00 N ATOM 1573 CA LEU A 105 1.709 0.263 18.217 1.00 0.00 C ATOM 1574 C LEU A 105 0.447 -0.033 18.952 1.00 0.00 C ATOM 1575 O LEU A 105 -0.586 0.312 18.379 1.00 0.00 O ATOM 1576 CB LEU A 105 2.086 -0.909 17.296 1.00 0.00 C ATOM 1577 CG LEU A 105 1.183 -1.306 16.115 1.00 0.00 C ATOM 1578 CD1 LEU A 105 0.951 -0.174 15.101 1.00 0.00 C ATOM 1579 CD2 LEU A 105 1.768 -2.503 15.347 1.00 0.00 C ATOM 0 H LEU A 105 3.608 0.197 19.083 1.00 0.00 H new ATOM 0 HA LEU A 105 1.515 1.113 17.563 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.072 -0.689 16.886 1.00 0.00 H new ATOM 0 HB3 LEU A 105 2.193 -1.791 17.928 1.00 0.00 H new ATOM 0 HG LEU A 105 0.227 -1.559 16.573 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.305 -0.531 14.299 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.476 0.670 15.601 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.907 0.142 14.684 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.109 -2.761 14.518 1.00 0.00 H new ATOM 0 HD22 LEU A 105 2.752 -2.241 14.959 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.858 -3.357 16.018 1.00 0.00 H new ATOM 1591 N ARG A 106 0.466 -0.549 20.193 1.00 0.00 N ATOM 1592 CA ARG A 106 -0.751 -0.798 20.901 1.00 0.00 C ATOM 1593 C ARG A 106 -1.482 0.399 21.404 1.00 0.00 C ATOM 1594 O ARG A 106 -2.707 0.507 21.400 1.00 0.00 O ATOM 1595 CB ARG A 106 -0.401 -1.626 22.149 1.00 0.00 C ATOM 1596 CG ARG A 106 -1.593 -2.132 22.965 1.00 0.00 C ATOM 1597 CD ARG A 106 -2.388 -3.312 22.403 1.00 0.00 C ATOM 1598 NE ARG A 106 -3.665 -3.348 23.170 1.00 0.00 N ATOM 1599 CZ ARG A 106 -3.830 -4.103 24.295 1.00 0.00 C ATOM 1600 NH1 ARG A 106 -2.905 -4.810 25.008 1.00 0.00 N ATOM 1601 NH2 ARG A 106 -5.131 -4.109 24.708 1.00 0.00 N ATOM 0 H ARG A 106 1.315 -0.792 20.703 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.403 -1.285 20.176 1.00 0.00 H new ATOM 0 HB2 ARG A 106 0.194 -2.485 21.838 1.00 0.00 H new ATOM 0 HB3 ARG A 106 0.230 -1.020 22.799 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -1.228 -2.413 23.953 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -2.282 -1.299 23.105 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.576 -3.184 21.337 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -1.836 -4.245 22.519 1.00 0.00 H new ATOM 0 HE ARG A 106 -4.449 -2.785 22.840 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -1.929 -4.818 24.711 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -3.190 -5.331 25.838 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -5.835 -3.587 24.185 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -5.400 -4.635 25.540 1.00 0.00 H new ATOM 1615 N HIS A 107 -0.726 1.427 21.828 1.00 0.00 N ATOM 1616 CA HIS A 107 -1.242 2.704 22.212 1.00 0.00 C ATOM 1617 C HIS A 107 -2.118 3.338 21.187 1.00 0.00 C ATOM 1618 O HIS A 107 -3.076 4.039 21.509 1.00 0.00 O ATOM 1619 CB HIS A 107 -0.192 3.669 22.788 1.00 0.00 C ATOM 1620 CG HIS A 107 -0.602 5.089 23.038 1.00 0.00 C ATOM 1621 ND1 HIS A 107 -1.124 5.522 24.240 1.00 0.00 N ATOM 1622 CD2 HIS A 107 -0.736 6.158 22.208 1.00 0.00 C ATOM 1623 CE1 HIS A 107 -1.588 6.794 24.104 1.00 0.00 C ATOM 1624 NE2 HIS A 107 -1.333 7.208 22.877 1.00 0.00 N ATOM 0 H HIS A 107 0.289 1.365 21.907 1.00 0.00 H new ATOM 0 HA HIS A 107 -1.899 2.474 23.051 1.00 0.00 H new ATOM 0 HB2 HIS A 107 0.162 3.253 23.731 1.00 0.00 H new ATOM 0 HB3 HIS A 107 0.659 3.682 22.106 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -1.157 4.973 25.099 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -0.421 6.182 21.175 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -2.083 7.369 24.873 1.00 0.00 H new ATOM 1632 N VAL A 108 -1.830 3.125 19.890 1.00 0.00 N ATOM 1633 CA VAL A 108 -2.741 3.647 18.920 1.00 0.00 C ATOM 1634 C VAL A 108 -3.903 2.762 18.626 1.00 0.00 C ATOM 1635 O VAL A 108 -4.975 3.298 18.346 1.00 0.00 O ATOM 1636 CB VAL A 108 -1.877 3.935 17.729 1.00 0.00 C ATOM 1637 CG1 VAL A 108 -2.666 4.236 16.443 1.00 0.00 C ATOM 1638 CG2 VAL A 108 -0.964 5.109 18.121 1.00 0.00 C ATOM 0 H VAL A 108 -1.019 2.624 19.528 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.246 4.541 19.285 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.301 3.043 17.481 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.971 4.434 15.627 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.289 3.378 16.189 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -3.299 5.110 16.600 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.312 5.358 17.284 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.574 5.975 18.376 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.357 4.827 18.981 1.00 0.00 H new ATOM 1648 N MET A 109 -3.806 1.423 18.701 1.00 0.00 N ATOM 1649 CA MET A 109 -4.929 0.537 18.734 1.00 0.00 C ATOM 1650 C MET A 109 -5.880 0.852 19.837 1.00 0.00 C ATOM 1651 O MET A 109 -7.095 0.769 19.661 1.00 0.00 O ATOM 1652 CB MET A 109 -4.561 -0.956 18.759 1.00 0.00 C ATOM 1653 CG MET A 109 -4.058 -1.403 17.384 1.00 0.00 C ATOM 1654 SD MET A 109 -2.916 -2.808 17.541 1.00 0.00 S ATOM 1655 CE MET A 109 -2.223 -2.846 15.863 1.00 0.00 C ATOM 0 H MET A 109 -2.910 0.938 18.740 1.00 0.00 H new ATOM 0 HA MET A 109 -5.429 0.719 17.783 1.00 0.00 H new ATOM 0 HB2 MET A 109 -3.792 -1.135 19.511 1.00 0.00 H new ATOM 0 HB3 MET A 109 -5.431 -1.547 19.045 1.00 0.00 H new ATOM 0 HG2 MET A 109 -4.903 -1.684 16.756 1.00 0.00 H new ATOM 0 HG3 MET A 109 -3.555 -0.573 16.888 1.00 0.00 H new ATOM 0 HE1 MET A 109 -1.389 -3.547 15.830 1.00 0.00 H new ATOM 0 HE2 MET A 109 -2.992 -3.164 15.159 1.00 0.00 H new ATOM 0 HE3 MET A 109 -1.872 -1.850 15.592 1.00 0.00 H new ATOM 1665 N THR A 110 -5.391 1.207 21.038 1.00 0.00 N ATOM 1666 CA THR A 110 -6.211 1.569 22.153 1.00 0.00 C ATOM 1667 C THR A 110 -6.972 2.840 21.993 1.00 0.00 C ATOM 1668 O THR A 110 -8.110 3.045 22.412 1.00 0.00 O ATOM 1669 CB THR A 110 -5.630 1.595 23.536 1.00 0.00 C ATOM 1670 OG1 THR A 110 -4.395 2.297 23.509 1.00 0.00 O ATOM 1671 CG2 THR A 110 -5.428 0.165 24.064 1.00 0.00 C ATOM 0 H THR A 110 -4.392 1.244 21.240 1.00 0.00 H new ATOM 0 HA THR A 110 -6.852 0.689 22.103 1.00 0.00 H new ATOM 0 HB THR A 110 -6.320 2.105 24.208 1.00 0.00 H new ATOM 0 HG1 THR A 110 -4.308 2.773 22.657 1.00 0.00 H new ATOM 0 HG21 THR A 110 -5.006 0.204 25.068 1.00 0.00 H new ATOM 0 HG22 THR A 110 -6.388 -0.351 24.094 1.00 0.00 H new ATOM 0 HG23 THR A 110 -4.747 -0.373 23.405 1.00 0.00 H new ATOM 1679 N ASN A 111 -6.403 3.768 21.202 1.00 0.00 N ATOM 1680 CA ASN A 111 -6.962 5.040 20.863 1.00 0.00 C ATOM 1681 C ASN A 111 -8.238 4.840 20.120 1.00 0.00 C ATOM 1682 O ASN A 111 -9.224 5.505 20.432 1.00 0.00 O ATOM 1683 CB ASN A 111 -6.032 5.937 20.028 1.00 0.00 C ATOM 1684 CG ASN A 111 -6.407 7.398 20.231 1.00 0.00 C ATOM 1685 OD1 ASN A 111 -6.950 8.064 19.350 1.00 0.00 O ATOM 1686 ND2 ASN A 111 -6.198 7.829 21.504 1.00 0.00 N ATOM 0 H ASN A 111 -5.491 3.618 20.771 1.00 0.00 H new ATOM 0 HA ASN A 111 -7.125 5.558 21.808 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -4.995 5.774 20.321 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -6.110 5.675 18.973 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -6.499 8.763 21.782 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -5.740 7.218 22.180 1.00 0.00 H new ATOM 1693 N LEU A 112 -8.218 3.995 19.074 1.00 0.00 N ATOM 1694 CA LEU A 112 -9.311 3.640 18.223 1.00 0.00 C ATOM 1695 C LEU A 112 -10.246 2.755 18.971 1.00 0.00 C ATOM 1696 O LEU A 112 -11.346 2.632 18.435 1.00 0.00 O ATOM 1697 CB LEU A 112 -8.822 2.891 16.972 1.00 0.00 C ATOM 1698 CG LEU A 112 -7.832 3.784 16.205 1.00 0.00 C ATOM 1699 CD1 LEU A 112 -7.410 3.033 14.930 1.00 0.00 C ATOM 1700 CD2 LEU A 112 -8.372 5.092 15.604 1.00 0.00 C ATOM 0 H LEU A 112 -7.358 3.518 18.801 1.00 0.00 H new ATOM 0 HA LEU A 112 -9.811 4.557 17.910 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -8.341 1.956 17.258 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -9.667 2.633 16.334 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.078 4.012 16.959 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.706 3.643 14.364 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.935 2.091 15.203 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.289 2.832 14.318 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.565 5.618 15.094 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.165 4.865 14.892 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.769 5.722 16.400 1.00 0.00 H new ATOM 1712 N GLY A 113 -9.915 2.059 20.074 1.00 0.00 N ATOM 1713 CA GLY A 113 -10.766 1.167 20.798 1.00 0.00 C ATOM 1714 C GLY A 113 -10.738 -0.243 20.316 1.00 0.00 C ATOM 1715 O GLY A 113 -11.624 -1.095 20.361 1.00 0.00 O ATOM 0 H GLY A 113 -8.985 2.126 20.488 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -10.478 1.184 21.849 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -11.790 1.536 20.742 1.00 0.00 H new ATOM 1719 N GLU A 114 -9.673 -0.529 19.546 1.00 0.00 N ATOM 1720 CA GLU A 114 -9.487 -1.673 18.709 1.00 0.00 C ATOM 1721 C GLU A 114 -8.859 -2.747 19.530 1.00 0.00 C ATOM 1722 O GLU A 114 -7.947 -2.409 20.283 1.00 0.00 O ATOM 1723 CB GLU A 114 -8.643 -1.440 17.445 1.00 0.00 C ATOM 1724 CG GLU A 114 -9.321 -0.592 16.367 1.00 0.00 C ATOM 1725 CD GLU A 114 -10.361 -1.318 15.526 1.00 0.00 C ATOM 1726 OE1 GLU A 114 -9.998 -2.168 14.669 1.00 0.00 O ATOM 1727 OE2 GLU A 114 -11.565 -0.973 15.660 1.00 0.00 O ATOM 0 H GLU A 114 -8.870 0.099 19.507 1.00 0.00 H new ATOM 0 HA GLU A 114 -10.476 -1.945 18.339 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -7.709 -0.957 17.733 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -8.383 -2.408 17.016 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -9.798 0.262 16.847 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -8.553 -0.196 15.703 1.00 0.00 H new ATOM 1734 N LYS A 115 -9.300 -4.015 19.453 1.00 0.00 N ATOM 1735 CA LYS A 115 -8.920 -4.995 20.423 1.00 0.00 C ATOM 1736 C LYS A 115 -7.930 -6.015 19.977 1.00 0.00 C ATOM 1737 O LYS A 115 -8.316 -7.037 19.411 1.00 0.00 O ATOM 1738 CB LYS A 115 -10.219 -5.730 20.795 1.00 0.00 C ATOM 1739 CG LYS A 115 -10.127 -6.661 22.006 1.00 0.00 C ATOM 1740 CD LYS A 115 -11.449 -7.295 22.445 1.00 0.00 C ATOM 1741 CE LYS A 115 -11.389 -8.147 23.715 1.00 0.00 C ATOM 1742 NZ LYS A 115 -12.715 -8.728 24.025 1.00 0.00 N ATOM 0 H LYS A 115 -9.919 -4.362 18.720 1.00 0.00 H new ATOM 0 HA LYS A 115 -8.426 -4.466 21.238 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -10.993 -4.987 20.988 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -10.545 -6.314 19.934 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -9.419 -7.458 21.778 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -9.716 -6.099 22.845 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -12.179 -6.500 22.598 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -11.821 -7.916 21.630 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -10.658 -8.946 23.588 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -11.051 -7.536 24.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -12.649 -9.301 24.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -13.404 -7.963 24.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -13.024 -9.329 23.234 1.00 0.00 H new ATOM 1756 N LEU A 116 -6.627 -5.794 20.223 1.00 0.00 N ATOM 1757 CA LEU A 116 -5.627 -6.772 19.928 1.00 0.00 C ATOM 1758 C LEU A 116 -4.835 -7.053 21.158 1.00 0.00 C ATOM 1759 O LEU A 116 -4.843 -6.182 22.026 1.00 0.00 O ATOM 1760 CB LEU A 116 -4.708 -6.199 18.835 1.00 0.00 C ATOM 1761 CG LEU A 116 -5.383 -6.029 17.464 1.00 0.00 C ATOM 1762 CD1 LEU A 116 -6.340 -4.838 17.288 1.00 0.00 C ATOM 1763 CD2 LEU A 116 -4.400 -5.969 16.282 1.00 0.00 C ATOM 0 H LEU A 116 -6.264 -4.932 20.629 1.00 0.00 H new ATOM 0 HA LEU A 116 -6.086 -7.699 19.584 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -4.332 -5.230 19.164 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -3.844 -6.855 18.723 1.00 0.00 H new ATOM 0 HG LEU A 116 -5.976 -6.944 17.452 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -6.743 -4.841 16.275 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -7.158 -4.920 18.004 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.799 -3.908 17.460 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.956 -5.848 15.352 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -3.724 -5.124 16.413 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.822 -6.892 16.242 1.00 0.00 H new ATOM 1775 N THR A 117 -4.375 -8.310 21.287 1.00 0.00 N ATOM 1776 CA THR A 117 -3.453 -8.596 22.342 1.00 0.00 C ATOM 1777 C THR A 117 -2.073 -8.059 22.174 1.00 0.00 C ATOM 1778 O THR A 117 -1.693 -7.680 21.067 1.00 0.00 O ATOM 1779 CB THR A 117 -3.368 -10.028 22.778 1.00 0.00 C ATOM 1780 OG1 THR A 117 -2.821 -10.829 21.741 1.00 0.00 O ATOM 1781 CG2 THR A 117 -4.783 -10.605 22.952 1.00 0.00 C ATOM 0 H THR A 117 -4.627 -9.098 20.690 1.00 0.00 H new ATOM 0 HA THR A 117 -3.935 -8.033 23.141 1.00 0.00 H new ATOM 0 HB THR A 117 -2.773 -10.044 23.691 1.00 0.00 H new ATOM 0 HG1 THR A 117 -3.418 -10.810 20.964 1.00 0.00 H new ATOM 0 HG21 THR A 117 -4.715 -11.646 23.269 1.00 0.00 H new ATOM 0 HG22 THR A 117 -5.320 -10.030 23.707 1.00 0.00 H new ATOM 0 HG23 THR A 117 -5.318 -10.549 22.004 1.00 0.00 H new ATOM 1789 N ASP A 118 -1.169 -8.019 23.169 1.00 0.00 N ATOM 1790 CA ASP A 118 0.152 -7.508 22.972 1.00 0.00 C ATOM 1791 C ASP A 118 0.979 -8.354 22.067 1.00 0.00 C ATOM 1792 O ASP A 118 1.836 -7.862 21.334 1.00 0.00 O ATOM 1793 CB ASP A 118 0.763 -7.411 24.380 1.00 0.00 C ATOM 1794 CG ASP A 118 0.220 -6.267 25.224 1.00 0.00 C ATOM 1795 OD1 ASP A 118 0.035 -5.174 24.625 1.00 0.00 O ATOM 1796 OD2 ASP A 118 -0.024 -6.334 26.458 1.00 0.00 O ATOM 0 H ASP A 118 -1.355 -8.344 24.118 1.00 0.00 H new ATOM 0 HA ASP A 118 0.120 -6.540 22.472 1.00 0.00 H new ATOM 0 HB2 ASP A 118 0.586 -8.350 24.905 1.00 0.00 H new ATOM 0 HB3 ASP A 118 1.843 -7.297 24.287 1.00 0.00 H new ATOM 1801 N GLU A 119 0.732 -9.675 22.116 1.00 0.00 N ATOM 1802 CA GLU A 119 1.396 -10.559 21.210 1.00 0.00 C ATOM 1803 C GLU A 119 1.070 -10.399 19.765 1.00 0.00 C ATOM 1804 O GLU A 119 1.869 -10.637 18.861 1.00 0.00 O ATOM 1805 CB GLU A 119 1.108 -11.976 21.734 1.00 0.00 C ATOM 1806 CG GLU A 119 1.602 -12.200 23.164 1.00 0.00 C ATOM 1807 CD GLU A 119 3.018 -11.776 23.527 1.00 0.00 C ATOM 1808 OE1 GLU A 119 3.962 -12.197 22.806 1.00 0.00 O ATOM 1809 OE2 GLU A 119 3.127 -11.188 24.636 1.00 0.00 O ATOM 0 H GLU A 119 0.088 -10.123 22.767 1.00 0.00 H new ATOM 0 HA GLU A 119 2.459 -10.320 21.204 1.00 0.00 H new ATOM 0 HB2 GLU A 119 0.034 -12.160 21.694 1.00 0.00 H new ATOM 0 HB3 GLU A 119 1.581 -12.704 21.075 1.00 0.00 H new ATOM 0 HG2 GLU A 119 0.919 -11.678 23.834 1.00 0.00 H new ATOM 0 HG3 GLU A 119 1.510 -13.264 23.382 1.00 0.00 H new ATOM 1816 N GLU A 120 -0.151 -9.917 19.469 1.00 0.00 N ATOM 1817 CA GLU A 120 -0.696 -9.673 18.170 1.00 0.00 C ATOM 1818 C GLU A 120 -0.074 -8.477 17.536 1.00 0.00 C ATOM 1819 O GLU A 120 0.170 -8.519 16.331 1.00 0.00 O ATOM 1820 CB GLU A 120 -2.227 -9.546 18.091 1.00 0.00 C ATOM 1821 CG GLU A 120 -2.922 -10.908 18.139 1.00 0.00 C ATOM 1822 CD GLU A 120 -4.407 -10.676 18.381 1.00 0.00 C ATOM 1823 OE1 GLU A 120 -4.745 -10.603 19.592 1.00 0.00 O ATOM 1824 OE2 GLU A 120 -5.250 -10.772 17.449 1.00 0.00 O ATOM 0 H GLU A 120 -0.814 -9.678 20.206 1.00 0.00 H new ATOM 0 HA GLU A 120 -0.446 -10.581 17.621 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -2.582 -8.929 18.917 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -2.500 -9.033 17.169 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -2.769 -11.446 17.204 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -2.499 -11.523 18.933 1.00 0.00 H new ATOM 1831 N VAL A 121 0.179 -7.418 18.326 1.00 0.00 N ATOM 1832 CA VAL A 121 1.041 -6.299 18.107 1.00 0.00 C ATOM 1833 C VAL A 121 2.482 -6.599 17.873 1.00 0.00 C ATOM 1834 O VAL A 121 3.108 -6.241 16.877 1.00 0.00 O ATOM 1835 CB VAL A 121 0.900 -5.284 19.202 1.00 0.00 C ATOM 1836 CG1 VAL A 121 1.479 -3.922 18.784 1.00 0.00 C ATOM 1837 CG2 VAL A 121 -0.598 -4.966 19.336 1.00 0.00 C ATOM 0 H VAL A 121 -0.282 -7.342 19.233 1.00 0.00 H new ATOM 0 HA VAL A 121 0.688 -5.897 17.157 1.00 0.00 H new ATOM 0 HB VAL A 121 1.389 -5.687 20.089 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.360 -3.210 19.601 1.00 0.00 H new ATOM 0 HG12 VAL A 121 2.538 -4.033 18.550 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.950 -3.556 17.904 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -0.744 -4.229 20.125 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -0.971 -4.567 18.393 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -1.142 -5.877 19.585 1.00 0.00 H new ATOM 1847 N ASP A 122 3.104 -7.263 18.864 1.00 0.00 N ATOM 1848 CA ASP A 122 4.417 -7.823 18.772 1.00 0.00 C ATOM 1849 C ASP A 122 4.604 -8.478 17.446 1.00 0.00 C ATOM 1850 O ASP A 122 5.645 -8.352 16.803 1.00 0.00 O ATOM 1851 CB ASP A 122 4.739 -8.753 19.953 1.00 0.00 C ATOM 1852 CG ASP A 122 6.207 -9.102 20.154 1.00 0.00 C ATOM 1853 OD1 ASP A 122 7.100 -8.278 20.490 1.00 0.00 O ATOM 1854 OD2 ASP A 122 6.572 -10.277 19.885 1.00 0.00 O ATOM 0 H ASP A 122 2.670 -7.417 19.774 1.00 0.00 H new ATOM 0 HA ASP A 122 5.142 -7.012 18.843 1.00 0.00 H new ATOM 0 HB2 ASP A 122 4.370 -8.287 20.866 1.00 0.00 H new ATOM 0 HB3 ASP A 122 4.182 -9.680 19.820 1.00 0.00 H new ATOM 1859 N GLU A 123 3.646 -9.318 17.014 1.00 0.00 N ATOM 1860 CA GLU A 123 3.735 -9.983 15.751 1.00 0.00 C ATOM 1861 C GLU A 123 3.979 -9.149 14.541 1.00 0.00 C ATOM 1862 O GLU A 123 4.900 -9.366 13.754 1.00 0.00 O ATOM 1863 CB GLU A 123 2.555 -10.938 15.505 1.00 0.00 C ATOM 1864 CG GLU A 123 2.794 -12.052 14.483 1.00 0.00 C ATOM 1865 CD GLU A 123 1.608 -12.912 14.071 1.00 0.00 C ATOM 1866 OE1 GLU A 123 0.676 -12.309 13.477 1.00 0.00 O ATOM 1867 OE2 GLU A 123 1.512 -14.113 14.439 1.00 0.00 O ATOM 0 H GLU A 123 2.803 -9.538 17.545 1.00 0.00 H new ATOM 0 HA GLU A 123 4.661 -10.545 15.875 1.00 0.00 H new ATOM 0 HB2 GLU A 123 2.281 -11.397 16.455 1.00 0.00 H new ATOM 0 HB3 GLU A 123 1.699 -10.349 15.177 1.00 0.00 H new ATOM 0 HG2 GLU A 123 3.204 -11.596 13.582 1.00 0.00 H new ATOM 0 HG3 GLU A 123 3.562 -12.713 14.884 1.00 0.00 H new ATOM 1874 N MET A 124 3.232 -8.045 14.364 1.00 0.00 N ATOM 1875 CA MET A 124 3.338 -6.995 13.399 1.00 0.00 C ATOM 1876 C MET A 124 4.649 -6.288 13.430 1.00 0.00 C ATOM 1877 O MET A 124 5.203 -5.969 12.379 1.00 0.00 O ATOM 1878 CB MET A 124 2.257 -5.922 13.614 1.00 0.00 C ATOM 1879 CG MET A 124 0.820 -6.413 13.431 1.00 0.00 C ATOM 1880 SD MET A 124 -0.493 -5.182 13.171 1.00 0.00 S ATOM 1881 CE MET A 124 -1.841 -5.992 14.080 1.00 0.00 C ATOM 0 H MET A 124 2.445 -7.870 14.988 1.00 0.00 H new ATOM 0 HA MET A 124 3.220 -7.498 12.439 1.00 0.00 H new ATOM 0 HB2 MET A 124 2.362 -5.517 14.620 1.00 0.00 H new ATOM 0 HB3 MET A 124 2.437 -5.101 12.920 1.00 0.00 H new ATOM 0 HG2 MET A 124 0.809 -7.094 12.580 1.00 0.00 H new ATOM 0 HG3 MET A 124 0.555 -6.998 14.312 1.00 0.00 H new ATOM 0 HE1 MET A 124 -2.764 -5.429 13.940 1.00 0.00 H new ATOM 0 HE2 MET A 124 -1.974 -7.007 13.705 1.00 0.00 H new ATOM 0 HE3 MET A 124 -1.595 -6.027 15.141 1.00 0.00 H new ATOM 1891 N ILE A 125 5.214 -6.075 14.632 1.00 0.00 N ATOM 1892 CA ILE A 125 6.447 -5.394 14.882 1.00 0.00 C ATOM 1893 C ILE A 125 7.565 -6.271 14.435 1.00 0.00 C ATOM 1894 O ILE A 125 8.528 -5.744 13.879 1.00 0.00 O ATOM 1895 CB ILE A 125 6.576 -5.180 16.360 1.00 0.00 C ATOM 1896 CG1 ILE A 125 5.541 -4.139 16.821 1.00 0.00 C ATOM 1897 CG2 ILE A 125 7.971 -4.630 16.702 1.00 0.00 C ATOM 1898 CD1 ILE A 125 5.804 -2.679 16.455 1.00 0.00 C ATOM 0 H ILE A 125 4.775 -6.404 15.492 1.00 0.00 H new ATOM 0 HA ILE A 125 6.473 -4.441 14.354 1.00 0.00 H new ATOM 0 HB ILE A 125 6.417 -6.136 16.858 1.00 0.00 H new ATOM 0 HG12 ILE A 125 4.572 -4.421 16.408 1.00 0.00 H new ATOM 0 HG13 ILE A 125 5.457 -4.205 17.906 1.00 0.00 H new ATOM 0 HG21 ILE A 125 8.049 -4.480 17.779 1.00 0.00 H new ATOM 0 HG22 ILE A 125 8.732 -5.341 16.379 1.00 0.00 H new ATOM 0 HG23 ILE A 125 8.122 -3.679 16.191 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.997 -2.056 16.841 1.00 0.00 H new ATOM 0 HD12 ILE A 125 6.750 -2.359 16.891 1.00 0.00 H new ATOM 0 HD13 ILE A 125 5.852 -2.579 15.371 1.00 0.00 H new ATOM 1910 N ARG A 126 7.514 -7.589 14.698 1.00 0.00 N ATOM 1911 CA ARG A 126 8.445 -8.553 14.199 1.00 0.00 C ATOM 1912 C ARG A 126 8.477 -8.754 12.723 1.00 0.00 C ATOM 1913 O ARG A 126 9.528 -8.883 12.098 1.00 0.00 O ATOM 1914 CB ARG A 126 8.387 -9.932 14.877 1.00 0.00 C ATOM 1915 CG ARG A 126 8.734 -9.695 16.348 1.00 0.00 C ATOM 1916 CD ARG A 126 8.649 -11.057 17.041 1.00 0.00 C ATOM 1917 NE ARG A 126 8.897 -10.811 18.490 1.00 0.00 N ATOM 1918 CZ ARG A 126 10.154 -10.720 19.013 1.00 0.00 C ATOM 1919 NH1 ARG A 126 11.242 -11.187 18.334 1.00 0.00 N ATOM 1920 NH2 ARG A 126 10.383 -10.140 20.227 1.00 0.00 N ATOM 0 H ARG A 126 6.790 -8.002 15.286 1.00 0.00 H new ATOM 0 HA ARG A 126 9.374 -8.055 14.478 1.00 0.00 H new ATOM 0 HB2 ARG A 126 7.396 -10.375 14.777 1.00 0.00 H new ATOM 0 HB3 ARG A 126 9.093 -10.623 14.416 1.00 0.00 H new ATOM 0 HG2 ARG A 126 9.733 -9.271 16.447 1.00 0.00 H new ATOM 0 HG3 ARG A 126 8.041 -8.986 16.800 1.00 0.00 H new ATOM 0 HD2 ARG A 126 7.670 -11.510 16.887 1.00 0.00 H new ATOM 0 HD3 ARG A 126 9.388 -11.747 16.633 1.00 0.00 H new ATOM 0 HE ARG A 126 8.097 -10.707 19.114 1.00 0.00 H new ATOM 0 HH11 ARG A 126 11.125 -11.615 17.416 1.00 0.00 H new ATOM 0 HH12 ARG A 126 12.172 -11.108 18.745 1.00 0.00 H new ATOM 0 HH21 ARG A 126 9.604 -9.762 20.766 1.00 0.00 H new ATOM 0 HH22 ARG A 126 11.333 -10.085 20.595 1.00 0.00 H new ATOM 1934 N GLU A 127 7.303 -8.603 12.084 1.00 0.00 N ATOM 1935 CA GLU A 127 7.254 -8.683 10.657 1.00 0.00 C ATOM 1936 C GLU A 127 7.733 -7.468 9.939 1.00 0.00 C ATOM 1937 O GLU A 127 8.166 -7.478 8.788 1.00 0.00 O ATOM 1938 CB GLU A 127 5.818 -8.937 10.167 1.00 0.00 C ATOM 1939 CG GLU A 127 5.283 -10.364 10.303 1.00 0.00 C ATOM 1940 CD GLU A 127 4.237 -10.686 9.246 1.00 0.00 C ATOM 1941 OE1 GLU A 127 3.103 -10.137 9.265 1.00 0.00 O ATOM 1942 OE2 GLU A 127 4.448 -11.580 8.384 1.00 0.00 O ATOM 0 H GLU A 127 6.408 -8.430 12.541 1.00 0.00 H new ATOM 0 HA GLU A 127 7.929 -9.507 10.426 1.00 0.00 H new ATOM 0 HB2 GLU A 127 5.150 -8.271 10.713 1.00 0.00 H new ATOM 0 HB3 GLU A 127 5.763 -8.653 9.116 1.00 0.00 H new ATOM 0 HG2 GLU A 127 6.110 -11.070 10.221 1.00 0.00 H new ATOM 0 HG3 GLU A 127 4.849 -10.495 11.294 1.00 0.00 H new ATOM 1949 N ALA A 128 7.738 -6.318 10.636 1.00 0.00 N ATOM 1950 CA ALA A 128 8.376 -5.120 10.187 1.00 0.00 C ATOM 1951 C ALA A 128 9.811 -4.932 10.543 1.00 0.00 C ATOM 1952 O ALA A 128 10.536 -4.368 9.726 1.00 0.00 O ATOM 1953 CB ALA A 128 7.547 -4.002 10.841 1.00 0.00 C ATOM 0 H ALA A 128 7.282 -6.219 11.543 1.00 0.00 H new ATOM 0 HA ALA A 128 8.401 -5.137 9.097 1.00 0.00 H new ATOM 0 HB1 ALA A 128 7.957 -3.032 10.558 1.00 0.00 H new ATOM 0 HB2 ALA A 128 6.513 -4.071 10.504 1.00 0.00 H new ATOM 0 HB3 ALA A 128 7.583 -4.109 11.925 1.00 0.00 H new ATOM 1959 N ASP A 129 10.288 -5.324 11.738 1.00 0.00 N ATOM 1960 CA ASP A 129 11.626 -5.366 12.240 1.00 0.00 C ATOM 1961 C ASP A 129 12.518 -6.151 11.340 1.00 0.00 C ATOM 1962 O ASP A 129 12.318 -7.355 11.193 1.00 0.00 O ATOM 1963 CB ASP A 129 11.702 -5.865 13.693 1.00 0.00 C ATOM 1964 CG ASP A 129 13.128 -5.717 14.204 1.00 0.00 C ATOM 1965 OD1 ASP A 129 13.826 -4.696 13.962 1.00 0.00 O ATOM 1966 OD2 ASP A 129 13.551 -6.685 14.891 1.00 0.00 O ATOM 0 H ASP A 129 9.637 -5.658 12.449 1.00 0.00 H new ATOM 0 HA ASP A 129 11.987 -4.337 12.253 1.00 0.00 H new ATOM 0 HB2 ASP A 129 11.018 -5.295 14.321 1.00 0.00 H new ATOM 0 HB3 ASP A 129 11.391 -6.908 13.748 1.00 0.00 H new ATOM 1971 N ILE A 130 13.563 -5.473 10.835 1.00 0.00 N ATOM 1972 CA ILE A 130 14.584 -6.101 10.054 1.00 0.00 C ATOM 1973 C ILE A 130 15.786 -6.311 10.909 1.00 0.00 C ATOM 1974 O ILE A 130 16.219 -7.457 11.028 1.00 0.00 O ATOM 1975 CB ILE A 130 14.915 -5.394 8.774 1.00 0.00 C ATOM 1976 CG1 ILE A 130 13.643 -5.128 7.951 1.00 0.00 C ATOM 1977 CG2 ILE A 130 15.972 -6.123 7.927 1.00 0.00 C ATOM 1978 CD1 ILE A 130 13.676 -4.124 6.800 1.00 0.00 C ATOM 0 H ILE A 130 13.702 -4.472 10.971 1.00 0.00 H new ATOM 0 HA ILE A 130 14.192 -7.062 9.722 1.00 0.00 H new ATOM 0 HB ILE A 130 15.360 -4.441 9.060 1.00 0.00 H new ATOM 0 HG12 ILE A 130 13.317 -6.083 7.539 1.00 0.00 H new ATOM 0 HG13 ILE A 130 12.870 -4.800 8.646 1.00 0.00 H new ATOM 0 HG21 ILE A 130 16.163 -5.556 7.016 1.00 0.00 H new ATOM 0 HG22 ILE A 130 16.896 -6.214 8.498 1.00 0.00 H new ATOM 0 HG23 ILE A 130 15.607 -7.116 7.666 1.00 0.00 H new ATOM 0 HD11 ILE A 130 12.691 -4.069 6.337 1.00 0.00 H new ATOM 0 HD12 ILE A 130 13.953 -3.142 7.182 1.00 0.00 H new ATOM 0 HD13 ILE A 130 14.408 -4.445 6.058 1.00 0.00 H new ATOM 1990 N ASP A 131 16.429 -5.303 11.524 1.00 0.00 N ATOM 1991 CA ASP A 131 17.643 -5.370 12.276 1.00 0.00 C ATOM 1992 C ASP A 131 17.659 -6.061 13.596 1.00 0.00 C ATOM 1993 O ASP A 131 18.744 -6.137 14.171 1.00 0.00 O ATOM 1994 CB ASP A 131 18.449 -4.063 12.365 1.00 0.00 C ATOM 1995 CG ASP A 131 17.531 -3.016 12.980 1.00 0.00 C ATOM 1996 OD1 ASP A 131 17.239 -3.146 14.198 1.00 0.00 O ATOM 1997 OD2 ASP A 131 17.008 -2.072 12.329 1.00 0.00 O ATOM 0 H ASP A 131 16.062 -4.352 11.490 1.00 0.00 H new ATOM 0 HA ASP A 131 18.148 -6.065 11.605 1.00 0.00 H new ATOM 0 HB2 ASP A 131 19.341 -4.201 12.976 1.00 0.00 H new ATOM 0 HB3 ASP A 131 18.785 -3.749 11.377 1.00 0.00 H new ATOM 2002 N GLY A 132 16.528 -6.547 14.138 1.00 0.00 N ATOM 2003 CA GLY A 132 16.518 -7.522 15.184 1.00 0.00 C ATOM 2004 C GLY A 132 16.449 -6.901 16.537 1.00 0.00 C ATOM 2005 O GLY A 132 16.322 -7.681 17.479 1.00 0.00 O ATOM 0 H GLY A 132 15.597 -6.255 13.842 1.00 0.00 H new ATOM 0 HA2 GLY A 132 15.666 -8.188 15.049 1.00 0.00 H new ATOM 0 HA3 GLY A 132 17.416 -8.136 15.114 1.00 0.00 H new ATOM 2009 N ASP A 133 16.349 -5.569 16.694 1.00 0.00 N ATOM 2010 CA ASP A 133 16.227 -4.954 17.979 1.00 0.00 C ATOM 2011 C ASP A 133 14.850 -5.059 18.539 1.00 0.00 C ATOM 2012 O ASP A 133 14.654 -4.873 19.739 1.00 0.00 O ATOM 2013 CB ASP A 133 16.649 -3.476 18.012 1.00 0.00 C ATOM 2014 CG ASP A 133 15.844 -2.445 17.233 1.00 0.00 C ATOM 2015 OD1 ASP A 133 15.086 -2.786 16.285 1.00 0.00 O ATOM 2016 OD2 ASP A 133 16.047 -1.245 17.556 1.00 0.00 O ATOM 0 H ASP A 133 16.353 -4.909 15.917 1.00 0.00 H new ATOM 0 HA ASP A 133 16.922 -5.522 18.597 1.00 0.00 H new ATOM 0 HB2 ASP A 133 16.656 -3.163 19.056 1.00 0.00 H new ATOM 0 HB3 ASP A 133 17.678 -3.423 17.656 1.00 0.00 H new ATOM 2021 N GLY A 134 13.878 -5.324 17.648 1.00 0.00 N ATOM 2022 CA GLY A 134 12.488 -5.474 17.949 1.00 0.00 C ATOM 2023 C GLY A 134 11.818 -4.154 17.774 1.00 0.00 C ATOM 2024 O GLY A 134 10.589 -4.188 17.768 1.00 0.00 O ATOM 0 H GLY A 134 14.076 -5.441 16.654 1.00 0.00 H new ATOM 0 HA2 GLY A 134 12.037 -6.217 17.292 1.00 0.00 H new ATOM 0 HA3 GLY A 134 12.359 -5.831 18.971 1.00 0.00 H new ATOM 2028 N GLN A 135 12.442 -3.027 17.387 1.00 0.00 N ATOM 2029 CA GLN A 135 11.680 -1.898 16.952 1.00 0.00 C ATOM 2030 C GLN A 135 11.624 -1.687 15.478 1.00 0.00 C ATOM 2031 O GLN A 135 12.502 -2.207 14.790 1.00 0.00 O ATOM 2032 CB GLN A 135 12.348 -0.665 17.584 1.00 0.00 C ATOM 2033 CG GLN A 135 12.216 -0.696 19.108 1.00 0.00 C ATOM 2034 CD GLN A 135 12.968 0.452 19.764 1.00 0.00 C ATOM 2035 OE1 GLN A 135 12.376 1.334 20.385 1.00 0.00 O ATOM 2036 NE2 GLN A 135 14.314 0.502 19.575 1.00 0.00 N ATOM 0 H GLN A 135 13.454 -2.898 17.375 1.00 0.00 H new ATOM 0 HA GLN A 135 10.647 -2.069 17.256 1.00 0.00 H new ATOM 0 HB2 GLN A 135 13.402 -0.634 17.306 1.00 0.00 H new ATOM 0 HB3 GLN A 135 11.889 0.243 17.193 1.00 0.00 H new ATOM 0 HG2 GLN A 135 11.162 -0.644 19.383 1.00 0.00 H new ATOM 0 HG3 GLN A 135 12.598 -1.644 19.487 1.00 0.00 H new ATOM 0 HE21 GLN A 135 14.784 -0.240 19.057 1.00 0.00 H new ATOM 0 HE22 GLN A 135 14.853 1.282 19.951 1.00 0.00 H new ATOM 2045 N VAL A 136 10.750 -0.778 15.011 1.00 0.00 N ATOM 2046 CA VAL A 136 10.460 -0.577 13.625 1.00 0.00 C ATOM 2047 C VAL A 136 10.794 0.844 13.324 1.00 0.00 C ATOM 2048 O VAL A 136 10.166 1.828 13.710 1.00 0.00 O ATOM 2049 CB VAL A 136 9.048 -0.835 13.190 1.00 0.00 C ATOM 2050 CG1 VAL A 136 8.879 -0.858 11.662 1.00 0.00 C ATOM 2051 CG2 VAL A 136 8.595 -2.139 13.868 1.00 0.00 C ATOM 0 H VAL A 136 10.223 -0.157 15.625 1.00 0.00 H new ATOM 0 HA VAL A 136 11.050 -1.312 13.078 1.00 0.00 H new ATOM 0 HB VAL A 136 8.407 -0.011 13.504 1.00 0.00 H new ATOM 0 HG11 VAL A 136 7.835 -1.049 11.414 1.00 0.00 H new ATOM 0 HG12 VAL A 136 9.180 0.104 11.248 1.00 0.00 H new ATOM 0 HG13 VAL A 136 9.502 -1.646 11.239 1.00 0.00 H new ATOM 0 HG21 VAL A 136 7.569 -2.363 13.577 1.00 0.00 H new ATOM 0 HG22 VAL A 136 9.247 -2.956 13.558 1.00 0.00 H new ATOM 0 HG23 VAL A 136 8.648 -2.024 14.951 1.00 0.00 H new ATOM 2061 N ASN A 137 11.911 1.150 12.641 1.00 0.00 N ATOM 2062 CA ASN A 137 12.171 2.491 12.218 1.00 0.00 C ATOM 2063 C ASN A 137 11.382 2.769 10.985 1.00 0.00 C ATOM 2064 O ASN A 137 10.589 2.009 10.431 1.00 0.00 O ATOM 2065 CB ASN A 137 13.665 2.839 12.329 1.00 0.00 C ATOM 2066 CG ASN A 137 14.527 2.470 11.130 1.00 0.00 C ATOM 2067 OD1 ASN A 137 14.272 3.049 10.076 1.00 0.00 O ATOM 2068 ND2 ASN A 137 15.647 1.707 11.242 1.00 0.00 N ATOM 0 H ASN A 137 12.630 0.474 12.383 1.00 0.00 H new ATOM 0 HA ASN A 137 11.790 3.259 12.891 1.00 0.00 H new ATOM 0 HB2 ASN A 137 13.756 3.912 12.501 1.00 0.00 H new ATOM 0 HB3 ASN A 137 14.070 2.340 13.210 1.00 0.00 H new ATOM 0 HD21 ASN A 137 16.281 1.613 10.449 1.00 0.00 H new ATOM 0 HD22 ASN A 137 15.853 1.229 12.119 1.00 0.00 H new ATOM 2075 N TYR A 138 11.620 3.935 10.357 1.00 0.00 N ATOM 2076 CA TYR A 138 10.856 4.377 9.232 1.00 0.00 C ATOM 2077 C TYR A 138 11.180 3.703 7.943 1.00 0.00 C ATOM 2078 O TYR A 138 10.216 3.411 7.237 1.00 0.00 O ATOM 2079 CB TYR A 138 11.087 5.866 8.927 1.00 0.00 C ATOM 2080 CG TYR A 138 10.173 6.353 7.856 1.00 0.00 C ATOM 2081 CD1 TYR A 138 8.834 6.553 8.098 1.00 0.00 C ATOM 2082 CD2 TYR A 138 10.610 6.380 6.553 1.00 0.00 C ATOM 2083 CE1 TYR A 138 7.956 6.690 7.048 1.00 0.00 C ATOM 2084 CE2 TYR A 138 9.764 6.676 5.510 1.00 0.00 C ATOM 2085 CZ TYR A 138 8.418 6.809 5.759 1.00 0.00 C ATOM 2086 OH TYR A 138 7.632 6.902 4.590 1.00 0.00 O ATOM 0 H TYR A 138 12.357 4.583 10.636 1.00 0.00 H new ATOM 0 HA TYR A 138 9.838 4.143 9.544 1.00 0.00 H new ATOM 0 HB2 TYR A 138 10.932 6.452 9.833 1.00 0.00 H new ATOM 0 HB3 TYR A 138 12.122 6.019 8.621 1.00 0.00 H new ATOM 0 HD1 TYR A 138 8.471 6.603 9.114 1.00 0.00 H new ATOM 0 HD2 TYR A 138 11.647 6.163 6.342 1.00 0.00 H new ATOM 0 HE1 TYR A 138 6.893 6.704 7.238 1.00 0.00 H new ATOM 0 HE2 TYR A 138 10.151 6.802 4.510 1.00 0.00 H new ATOM 0 HH TYR A 138 8.217 6.979 3.808 1.00 0.00 H new ATOM 2096 N GLU A 139 12.435 3.256 7.761 1.00 0.00 N ATOM 2097 CA GLU A 139 12.873 2.382 6.718 1.00 0.00 C ATOM 2098 C GLU A 139 12.196 1.061 6.845 1.00 0.00 C ATOM 2099 O GLU A 139 11.728 0.466 5.875 1.00 0.00 O ATOM 2100 CB GLU A 139 14.401 2.202 6.719 1.00 0.00 C ATOM 2101 CG GLU A 139 14.875 1.631 5.381 1.00 0.00 C ATOM 2102 CD GLU A 139 16.353 1.917 5.155 1.00 0.00 C ATOM 2103 OE1 GLU A 139 17.205 1.119 5.630 1.00 0.00 O ATOM 2104 OE2 GLU A 139 16.742 2.963 4.570 1.00 0.00 O ATOM 0 H GLU A 139 13.195 3.524 8.386 1.00 0.00 H new ATOM 0 HA GLU A 139 12.602 2.840 5.767 1.00 0.00 H new ATOM 0 HB2 GLU A 139 14.886 3.161 6.904 1.00 0.00 H new ATOM 0 HB3 GLU A 139 14.694 1.535 7.530 1.00 0.00 H new ATOM 0 HG2 GLU A 139 14.702 0.555 5.360 1.00 0.00 H new ATOM 0 HG3 GLU A 139 14.290 2.064 4.570 1.00 0.00 H new ATOM 2111 N GLU A 140 12.194 0.430 8.033 1.00 0.00 N ATOM 2112 CA GLU A 140 11.616 -0.858 8.259 1.00 0.00 C ATOM 2113 C GLU A 140 10.134 -0.813 8.120 1.00 0.00 C ATOM 2114 O GLU A 140 9.491 -1.718 7.590 1.00 0.00 O ATOM 2115 CB GLU A 140 12.122 -1.418 9.599 1.00 0.00 C ATOM 2116 CG GLU A 140 13.554 -1.069 10.010 1.00 0.00 C ATOM 2117 CD GLU A 140 13.906 -1.655 11.370 1.00 0.00 C ATOM 2118 OE1 GLU A 140 14.316 -2.830 11.569 1.00 0.00 O ATOM 2119 OE2 GLU A 140 13.763 -0.884 12.356 1.00 0.00 O ATOM 0 H GLU A 140 12.613 0.834 8.871 1.00 0.00 H new ATOM 0 HA GLU A 140 11.940 -1.560 7.491 1.00 0.00 H new ATOM 0 HB2 GLU A 140 11.451 -1.070 10.385 1.00 0.00 H new ATOM 0 HB3 GLU A 140 12.036 -2.504 9.565 1.00 0.00 H new ATOM 0 HG2 GLU A 140 14.250 -1.445 9.260 1.00 0.00 H new ATOM 0 HG3 GLU A 140 13.671 0.014 10.039 1.00 0.00 H new ATOM 2126 N PHE A 141 9.550 0.365 8.404 1.00 0.00 N ATOM 2127 CA PHE A 141 8.157 0.640 8.238 1.00 0.00 C ATOM 2128 C PHE A 141 7.825 0.642 6.785 1.00 0.00 C ATOM 2129 O PHE A 141 6.861 -0.010 6.387 1.00 0.00 O ATOM 2130 CB PHE A 141 7.822 1.891 9.066 1.00 0.00 C ATOM 2131 CG PHE A 141 6.409 2.346 9.198 1.00 0.00 C ATOM 2132 CD1 PHE A 141 5.586 1.907 10.209 1.00 0.00 C ATOM 2133 CD2 PHE A 141 5.964 3.321 8.337 1.00 0.00 C ATOM 2134 CE1 PHE A 141 4.357 2.492 10.406 1.00 0.00 C ATOM 2135 CE2 PHE A 141 4.743 3.926 8.521 1.00 0.00 C ATOM 2136 CZ PHE A 141 3.957 3.504 9.567 1.00 0.00 C ATOM 0 H PHE A 141 10.074 1.162 8.766 1.00 0.00 H new ATOM 0 HA PHE A 141 7.496 -0.131 8.634 1.00 0.00 H new ATOM 0 HB2 PHE A 141 8.203 1.723 10.073 1.00 0.00 H new ATOM 0 HB3 PHE A 141 8.390 2.720 8.644 1.00 0.00 H new ATOM 0 HD1 PHE A 141 5.906 1.100 10.851 1.00 0.00 H new ATOM 0 HD2 PHE A 141 6.583 3.616 7.503 1.00 0.00 H new ATOM 0 HE1 PHE A 141 3.715 2.161 11.209 1.00 0.00 H new ATOM 0 HE2 PHE A 141 4.410 4.713 7.860 1.00 0.00 H new ATOM 0 HZ PHE A 141 3.002 3.980 9.733 1.00 0.00 H new ATOM 2146 N VAL A 142 8.635 1.410 6.036 1.00 0.00 N ATOM 2147 CA VAL A 142 8.311 1.599 4.656 1.00 0.00 C ATOM 2148 C VAL A 142 8.353 0.434 3.728 1.00 0.00 C ATOM 2149 O VAL A 142 7.549 0.343 2.801 1.00 0.00 O ATOM 2150 CB VAL A 142 8.912 2.873 4.140 1.00 0.00 C ATOM 2151 CG1 VAL A 142 10.191 2.719 3.299 1.00 0.00 C ATOM 2152 CG2 VAL A 142 7.869 3.694 3.363 1.00 0.00 C ATOM 0 H VAL A 142 9.478 1.881 6.365 1.00 0.00 H new ATOM 0 HA VAL A 142 7.226 1.706 4.659 1.00 0.00 H new ATOM 0 HB VAL A 142 9.227 3.401 5.040 1.00 0.00 H new ATOM 0 HG11 VAL A 142 10.537 3.702 2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 142 10.965 2.239 3.898 1.00 0.00 H new ATOM 0 HG13 VAL A 142 9.979 2.107 2.423 1.00 0.00 H new ATOM 0 HG21 VAL A 142 8.328 4.613 2.998 1.00 0.00 H new ATOM 0 HG22 VAL A 142 7.503 3.111 2.518 1.00 0.00 H new ATOM 0 HG23 VAL A 142 7.036 3.940 4.021 1.00 0.00 H new ATOM 2162 N GLN A 143 9.287 -0.459 4.100 1.00 0.00 N ATOM 2163 CA GLN A 143 9.509 -1.735 3.494 1.00 0.00 C ATOM 2164 C GLN A 143 8.576 -2.803 3.953 1.00 0.00 C ATOM 2165 O GLN A 143 8.239 -3.709 3.192 1.00 0.00 O ATOM 2166 CB GLN A 143 10.936 -2.093 3.942 1.00 0.00 C ATOM 2167 CG GLN A 143 11.529 -3.450 3.557 1.00 0.00 C ATOM 2168 CD GLN A 143 12.039 -3.527 2.125 1.00 0.00 C ATOM 2169 OE1 GLN A 143 12.087 -2.506 1.441 1.00 0.00 O ATOM 2170 NE2 GLN A 143 12.511 -4.712 1.654 1.00 0.00 N ATOM 0 H GLN A 143 9.927 -0.278 4.873 1.00 0.00 H new ATOM 0 HA GLN A 143 9.355 -1.675 2.417 1.00 0.00 H new ATOM 0 HB2 GLN A 143 11.603 -1.323 3.554 1.00 0.00 H new ATOM 0 HB3 GLN A 143 10.965 -2.021 5.029 1.00 0.00 H new ATOM 0 HG2 GLN A 143 12.350 -3.680 4.236 1.00 0.00 H new ATOM 0 HG3 GLN A 143 10.770 -4.219 3.702 1.00 0.00 H new ATOM 0 HE21 GLN A 143 12.462 -5.548 2.236 1.00 0.00 H new ATOM 0 HE22 GLN A 143 12.914 -4.765 0.718 1.00 0.00 H new ATOM 2179 N MET A 144 7.979 -2.704 5.154 1.00 0.00 N ATOM 2180 CA MET A 144 6.815 -3.456 5.507 1.00 0.00 C ATOM 2181 C MET A 144 5.568 -3.005 4.827 1.00 0.00 C ATOM 2182 O MET A 144 4.688 -3.773 4.441 1.00 0.00 O ATOM 2183 CB MET A 144 6.573 -3.318 7.020 1.00 0.00 C ATOM 2184 CG MET A 144 5.419 -4.140 7.597 1.00 0.00 C ATOM 2185 SD MET A 144 5.402 -5.892 7.111 1.00 0.00 S ATOM 2186 CE MET A 144 4.116 -6.151 8.366 1.00 0.00 C ATOM 0 H MET A 144 8.312 -2.088 5.896 1.00 0.00 H new ATOM 0 HA MET A 144 7.016 -4.481 5.194 1.00 0.00 H new ATOM 0 HB2 MET A 144 7.488 -3.600 7.540 1.00 0.00 H new ATOM 0 HB3 MET A 144 6.390 -2.267 7.243 1.00 0.00 H new ATOM 0 HG2 MET A 144 5.460 -4.081 8.685 1.00 0.00 H new ATOM 0 HG3 MET A 144 4.478 -3.684 7.288 1.00 0.00 H new ATOM 0 HE1 MET A 144 3.621 -7.106 8.188 1.00 0.00 H new ATOM 0 HE2 MET A 144 4.570 -6.157 9.357 1.00 0.00 H new ATOM 0 HE3 MET A 144 3.383 -5.346 8.308 1.00 0.00 H new ATOM 2196 N MET A 145 5.523 -1.711 4.465 1.00 0.00 N ATOM 2197 CA MET A 145 4.323 -1.263 3.829 1.00 0.00 C ATOM 2198 C MET A 145 4.216 -1.694 2.407 1.00 0.00 C ATOM 2199 O MET A 145 3.162 -2.046 1.881 1.00 0.00 O ATOM 2200 CB MET A 145 4.143 0.261 3.921 1.00 0.00 C ATOM 2201 CG MET A 145 3.552 0.550 5.302 1.00 0.00 C ATOM 2202 SD MET A 145 3.549 2.339 5.627 1.00 0.00 S ATOM 2203 CE MET A 145 1.839 2.614 5.080 1.00 0.00 C ATOM 0 H MET A 145 6.259 -1.017 4.599 1.00 0.00 H new ATOM 0 HA MET A 145 3.519 -1.744 4.386 1.00 0.00 H new ATOM 0 HB2 MET A 145 5.097 0.772 3.794 1.00 0.00 H new ATOM 0 HB3 MET A 145 3.481 0.621 3.133 1.00 0.00 H new ATOM 0 HG2 MET A 145 2.535 0.162 5.358 1.00 0.00 H new ATOM 0 HG3 MET A 145 4.132 0.036 6.068 1.00 0.00 H new ATOM 0 HE1 MET A 145 1.541 3.636 5.316 1.00 0.00 H new ATOM 0 HE2 MET A 145 1.771 2.456 4.004 1.00 0.00 H new ATOM 0 HE3 MET A 145 1.177 1.916 5.592 1.00 0.00 H new