USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=25 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 107 HIS : no HD1:sc= -0.196 X(o=-0.45,f=-0.056) USER MOD Set 1.2: A 111 ASN : amide:sc= -0.256 K(o=-0.45,f=-1.7!) USER MOD Set 2.1: A 109 MET CE :methyl -143:sc= -0.125 (180deg=-1.85!) USER MOD Set 2.2: A 145 MET CE :methyl -164:sc= -0.0432 (180deg=-0.0913) USER MOD Set 3.1: A 26 THR OG1 : rot -120:sc= 0.175 USER MOD Set 3.2: A 60 ASN : amide:sc= -1.04 K(o=-0.69,f=-2.8) USER MOD Set 3.3: A 62 THR OG1 : rot 137:sc= 0.184 USER MOD Set 4.1: A 5 THR OG1 : rot 180:sc= -0.0551 USER MOD Set 4.2: A 8 GLN :FLIP amide:sc= 0.647 F(o=-0.055,f=0.59) 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 -170:sc= 0.226 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00546 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 177:sc= 0 (180deg=-0.00265) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.0762 X(o=-0.076,f=0) USER MOD Single : A 42 ASN : amide:sc= -0.0366 X(o=-0.037,f=-0.037) USER MOD Single : A 44 THR OG1 : rot -76:sc= 1.22 USER MOD Single : A 49 GLN : amide:sc= 0.185 K(o=0.18,f=-0.33) USER MOD Single : A 51 MET CE :methyl -177:sc= 0 (180deg=-0.00925) USER MOD Single : A 53 ASN : amide:sc= -0.158 K(o=-0.16,f=-2.6!) USER MOD Single : A 70 THR OG1 : rot 82:sc= 0.263 USER MOD Single : A 71 MET CE :methyl -159:sc= 0 (180deg=-0.351) USER MOD Single : A 72 MET CE :methyl 175:sc= -0.334 (180deg=-0.354) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0.0833 K(o=0.083,f=-4.2!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -74:sc= 0.109 USER MOD Single : A 110 THR OG1 : rot 87:sc= 0.603 USER MOD Single : A 115 LYS NZ :NH3+ 138:sc= 0.656 (180deg=0.102) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.0842 USER MOD Single : A 124 MET CE :methyl -179:sc= 0 (180deg=-0.00272) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 137 ASN : amide:sc= -0.199 K(o=-0.2,f=-5.5) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0.62 K(o=0.62,f=0) USER MOD Single : A 144 MET CE :methyl -159:sc= -0.0736 (180deg=-0.846) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -12.151 15.035 1.000 1.00 0.00 N ATOM 59 CA THR A 5 -12.770 16.231 0.518 1.00 0.00 C ATOM 60 C THR A 5 -14.038 15.893 -0.189 1.00 0.00 C ATOM 61 O THR A 5 -14.403 14.755 -0.480 1.00 0.00 O ATOM 62 CB THR A 5 -11.863 16.971 -0.419 1.00 0.00 C ATOM 63 OG1 THR A 5 -11.431 16.132 -1.480 1.00 0.00 O ATOM 64 CG2 THR A 5 -10.525 17.326 0.250 1.00 0.00 C ATOM 0 HA THR A 5 -12.980 16.871 1.375 1.00 0.00 H new ATOM 0 HB THR A 5 -12.442 17.838 -0.737 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.842 16.638 -2.078 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.894 17.861 -0.460 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.709 17.957 1.120 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.022 16.412 0.565 1.00 0.00 H new ATOM 72 N GLU A 6 -14.854 16.896 -0.558 1.00 0.00 N ATOM 73 CA GLU A 6 -16.076 16.751 -1.287 1.00 0.00 C ATOM 74 C GLU A 6 -15.870 16.096 -2.610 1.00 0.00 C ATOM 75 O GLU A 6 -16.636 15.216 -3.001 1.00 0.00 O ATOM 76 CB GLU A 6 -16.858 18.075 -1.308 1.00 0.00 C ATOM 77 CG GLU A 6 -18.362 17.920 -1.539 1.00 0.00 C ATOM 78 CD GLU A 6 -19.096 17.374 -0.322 1.00 0.00 C ATOM 79 OE1 GLU A 6 -19.259 16.129 -0.224 1.00 0.00 O ATOM 80 OE2 GLU A 6 -19.621 18.188 0.484 1.00 0.00 O ATOM 0 H GLU A 6 -14.647 17.869 -0.333 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.725 16.050 -0.762 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -16.700 18.591 -0.361 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -16.447 18.713 -2.091 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -18.785 18.888 -1.808 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -18.528 17.254 -2.386 1.00 0.00 H new ATOM 87 N GLU A 7 -14.761 16.330 -3.333 1.00 0.00 N ATOM 88 CA GLU A 7 -14.539 15.625 -4.557 1.00 0.00 C ATOM 89 C GLU A 7 -14.273 14.172 -4.355 1.00 0.00 C ATOM 90 O GLU A 7 -14.722 13.338 -5.140 1.00 0.00 O ATOM 91 CB GLU A 7 -13.332 16.146 -5.356 1.00 0.00 C ATOM 92 CG GLU A 7 -13.651 17.343 -6.253 1.00 0.00 C ATOM 93 CD GLU A 7 -12.335 17.794 -6.872 1.00 0.00 C ATOM 94 OE1 GLU A 7 -11.446 18.089 -6.029 1.00 0.00 O ATOM 95 OE2 GLU A 7 -12.216 17.881 -8.123 1.00 0.00 O ATOM 0 H GLU A 7 -14.030 16.994 -3.077 1.00 0.00 H new ATOM 0 HA GLU A 7 -15.469 15.790 -5.101 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -12.542 16.427 -4.660 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.941 15.337 -5.973 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.367 17.066 -7.027 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.102 18.149 -5.675 1.00 0.00 H new ATOM 102 N GLN A 8 -13.615 13.810 -3.239 1.00 0.00 N ATOM 103 CA GLN A 8 -13.400 12.461 -2.816 1.00 0.00 C ATOM 104 C GLN A 8 -14.642 11.755 -2.394 1.00 0.00 C ATOM 105 O GLN A 8 -14.984 10.623 -2.733 1.00 0.00 O ATOM 106 CB GLN A 8 -12.266 12.274 -1.794 1.00 0.00 C ATOM 107 CG GLN A 8 -10.917 12.848 -2.233 1.00 0.00 C ATOM 108 CD GLN A 8 -9.898 12.722 -1.110 1.00 0.00 C ATOM 109 OE1 GLN A 8 -9.037 11.669 -1.099 1.00 0.00 O flip ATOM 110 NE2 GLN A 8 -9.923 13.518 -0.173 1.00 0.00 N flip ATOM 0 H GLN A 8 -13.212 14.494 -2.599 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.055 11.974 -3.728 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.559 12.744 -0.855 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.146 11.209 -1.594 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.560 12.320 -3.118 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.033 13.895 -2.512 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.572 14.305 -0.189 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -9.295 13.391 0.621 1.00 0.00 H new ATOM 119 N ILE A 9 -15.504 12.456 -1.636 1.00 0.00 N ATOM 120 CA ILE A 9 -16.714 11.880 -1.138 1.00 0.00 C ATOM 121 C ILE A 9 -17.688 11.627 -2.238 1.00 0.00 C ATOM 122 O ILE A 9 -18.279 10.550 -2.299 1.00 0.00 O ATOM 123 CB ILE A 9 -17.220 12.654 0.043 1.00 0.00 C ATOM 124 CG1 ILE A 9 -16.210 12.839 1.188 1.00 0.00 C ATOM 125 CG2 ILE A 9 -18.554 12.082 0.552 1.00 0.00 C ATOM 126 CD1 ILE A 9 -16.528 14.060 2.049 1.00 0.00 C ATOM 0 H ILE A 9 -15.361 13.429 -1.366 1.00 0.00 H new ATOM 0 HA ILE A 9 -16.522 10.883 -0.741 1.00 0.00 H new ATOM 0 HB ILE A 9 -17.387 13.663 -0.335 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -16.206 11.947 1.814 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -15.208 12.941 0.772 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -18.896 12.663 1.408 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -19.299 12.133 -0.242 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -18.414 11.043 0.851 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.787 14.148 2.843 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -16.505 14.957 1.431 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -17.519 13.947 2.488 1.00 0.00 H new ATOM 138 N ALA A 10 -17.784 12.601 -3.160 1.00 0.00 N ATOM 139 CA ALA A 10 -18.572 12.569 -4.353 1.00 0.00 C ATOM 140 C ALA A 10 -18.272 11.496 -5.341 1.00 0.00 C ATOM 141 O ALA A 10 -19.147 10.841 -5.905 1.00 0.00 O ATOM 142 CB ALA A 10 -18.507 13.951 -5.024 1.00 0.00 C ATOM 0 H ALA A 10 -17.271 13.477 -3.063 1.00 0.00 H new ATOM 0 HA ALA A 10 -19.577 12.315 -4.017 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -19.104 13.941 -5.936 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -18.899 14.705 -4.342 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -17.472 14.187 -5.271 1.00 0.00 H new ATOM 148 N GLU A 11 -16.975 11.176 -5.498 1.00 0.00 N ATOM 149 CA GLU A 11 -16.575 10.246 -6.507 1.00 0.00 C ATOM 150 C GLU A 11 -16.802 8.874 -5.971 1.00 0.00 C ATOM 151 O GLU A 11 -17.359 8.025 -6.665 1.00 0.00 O ATOM 152 CB GLU A 11 -15.078 10.435 -6.804 1.00 0.00 C ATOM 153 CG GLU A 11 -14.565 9.906 -8.145 1.00 0.00 C ATOM 154 CD GLU A 11 -13.057 9.918 -8.351 1.00 0.00 C ATOM 155 OE1 GLU A 11 -12.483 11.040 -8.370 1.00 0.00 O ATOM 156 OE2 GLU A 11 -12.404 8.847 -8.459 1.00 0.00 O ATOM 0 H GLU A 11 -16.213 11.555 -4.935 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.144 10.401 -7.424 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -14.854 11.500 -6.752 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.511 9.951 -6.009 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -14.917 8.881 -8.264 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -15.022 10.494 -8.941 1.00 0.00 H new ATOM 163 N PHE A 12 -16.548 8.654 -4.669 1.00 0.00 N ATOM 164 CA PHE A 12 -16.741 7.397 -4.014 1.00 0.00 C ATOM 165 C PHE A 12 -18.186 7.063 -3.871 1.00 0.00 C ATOM 166 O PHE A 12 -18.610 5.909 -3.894 1.00 0.00 O ATOM 167 CB PHE A 12 -16.122 7.335 -2.607 1.00 0.00 C ATOM 168 CG PHE A 12 -14.659 7.616 -2.566 1.00 0.00 C ATOM 169 CD1 PHE A 12 -13.810 7.584 -3.647 1.00 0.00 C ATOM 170 CD2 PHE A 12 -14.150 8.011 -1.351 1.00 0.00 C ATOM 171 CE1 PHE A 12 -12.481 7.904 -3.499 1.00 0.00 C ATOM 172 CE2 PHE A 12 -12.818 8.305 -1.176 1.00 0.00 C ATOM 173 CZ PHE A 12 -11.976 8.218 -2.260 1.00 0.00 C ATOM 0 H PHE A 12 -16.194 9.381 -4.047 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.236 6.679 -4.660 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.635 8.051 -1.965 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -16.302 6.345 -2.187 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.190 7.306 -4.619 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -14.818 8.093 -0.507 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.830 7.909 -4.361 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.441 8.598 -0.207 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.918 8.396 -2.138 1.00 0.00 H new ATOM 183 N LYS A 13 -19.059 8.077 -3.728 1.00 0.00 N ATOM 184 CA LYS A 13 -20.481 7.934 -3.674 1.00 0.00 C ATOM 185 C LYS A 13 -21.225 7.461 -4.876 1.00 0.00 C ATOM 186 O LYS A 13 -21.841 6.405 -4.744 1.00 0.00 O ATOM 187 CB LYS A 13 -21.055 9.296 -3.252 1.00 0.00 C ATOM 188 CG LYS A 13 -22.465 9.211 -2.663 1.00 0.00 C ATOM 189 CD LYS A 13 -22.889 10.541 -2.037 1.00 0.00 C ATOM 190 CE LYS A 13 -24.114 10.436 -1.127 1.00 0.00 C ATOM 191 NZ LYS A 13 -24.327 11.618 -0.263 1.00 0.00 N ATOM 0 H LYS A 13 -18.756 9.047 -3.646 1.00 0.00 H new ATOM 0 HA LYS A 13 -20.631 7.112 -2.974 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -20.390 9.749 -2.517 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -21.071 9.958 -4.118 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -23.172 8.934 -3.445 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -22.499 8.425 -1.909 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -22.055 10.943 -1.462 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -23.100 11.255 -2.833 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -25.000 10.286 -1.744 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -24.011 9.553 -0.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -25.174 11.472 0.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -23.499 11.752 0.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -24.458 12.462 -0.856 1.00 0.00 H new ATOM 205 N GLU A 14 -21.028 8.135 -6.023 1.00 0.00 N ATOM 206 CA GLU A 14 -21.430 7.708 -7.327 1.00 0.00 C ATOM 207 C GLU A 14 -20.893 6.357 -7.652 1.00 0.00 C ATOM 208 O GLU A 14 -21.659 5.536 -8.155 1.00 0.00 O ATOM 209 CB GLU A 14 -21.054 8.777 -8.367 1.00 0.00 C ATOM 210 CG GLU A 14 -21.640 10.133 -7.966 1.00 0.00 C ATOM 211 CD GLU A 14 -23.141 10.221 -8.199 1.00 0.00 C ATOM 212 OE1 GLU A 14 -23.457 10.508 -9.384 1.00 0.00 O ATOM 213 OE2 GLU A 14 -23.977 9.972 -7.290 1.00 0.00 O ATOM 0 H GLU A 14 -20.556 9.039 -6.039 1.00 0.00 H new ATOM 0 HA GLU A 14 -22.515 7.602 -7.349 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -19.970 8.851 -8.448 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -21.428 8.487 -9.349 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -21.429 10.317 -6.912 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -21.143 10.920 -8.533 1.00 0.00 H new ATOM 220 N ALA A 15 -19.625 6.050 -7.324 1.00 0.00 N ATOM 221 CA ALA A 15 -19.149 4.705 -7.429 1.00 0.00 C ATOM 222 C ALA A 15 -19.904 3.792 -6.525 1.00 0.00 C ATOM 223 O ALA A 15 -20.395 2.763 -6.987 1.00 0.00 O ATOM 224 CB ALA A 15 -17.641 4.613 -7.141 1.00 0.00 C ATOM 0 H ALA A 15 -18.936 6.724 -6.990 1.00 0.00 H new ATOM 0 HA ALA A 15 -19.316 4.387 -8.458 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -17.316 3.576 -7.230 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -17.096 5.227 -7.857 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.441 4.970 -6.131 1.00 0.00 H new ATOM 230 N PHE A 16 -20.058 3.996 -5.205 1.00 0.00 N ATOM 231 CA PHE A 16 -20.749 3.181 -4.255 1.00 0.00 C ATOM 232 C PHE A 16 -22.077 2.709 -4.740 1.00 0.00 C ATOM 233 O PHE A 16 -22.302 1.503 -4.829 1.00 0.00 O ATOM 234 CB PHE A 16 -20.848 3.879 -2.888 1.00 0.00 C ATOM 235 CG PHE A 16 -21.569 3.200 -1.774 1.00 0.00 C ATOM 236 CD1 PHE A 16 -22.897 3.495 -1.574 1.00 0.00 C ATOM 237 CD2 PHE A 16 -20.842 2.473 -0.861 1.00 0.00 C ATOM 238 CE1 PHE A 16 -23.540 2.834 -0.554 1.00 0.00 C ATOM 239 CE2 PHE A 16 -21.479 1.882 0.204 1.00 0.00 C ATOM 240 CZ PHE A 16 -22.832 2.080 0.352 1.00 0.00 C ATOM 0 H PHE A 16 -19.655 4.820 -4.759 1.00 0.00 H new ATOM 0 HA PHE A 16 -20.148 2.281 -4.126 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -19.832 4.078 -2.547 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -21.326 4.845 -3.047 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -23.413 4.215 -2.192 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -19.774 2.367 -0.980 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -24.614 2.908 -0.463 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -20.929 1.276 0.909 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.346 1.637 1.192 1.00 0.00 H new ATOM 250 N SER A 17 -22.993 3.612 -5.132 1.00 0.00 N ATOM 251 CA SER A 17 -24.325 3.354 -5.583 1.00 0.00 C ATOM 252 C SER A 17 -24.415 2.758 -6.946 1.00 0.00 C ATOM 253 O SER A 17 -25.479 2.242 -7.283 1.00 0.00 O ATOM 254 CB SER A 17 -25.236 4.592 -5.525 1.00 0.00 C ATOM 255 OG SER A 17 -25.003 5.211 -4.268 1.00 0.00 O ATOM 0 H SER A 17 -22.781 4.610 -5.133 1.00 0.00 H new ATOM 0 HA SER A 17 -24.680 2.610 -4.870 1.00 0.00 H new ATOM 0 HB2 SER A 17 -25.010 5.277 -6.342 1.00 0.00 H new ATOM 0 HB3 SER A 17 -26.283 4.307 -5.628 1.00 0.00 H new ATOM 0 HG SER A 17 -25.565 6.010 -4.188 1.00 0.00 H new ATOM 261 N LEU A 18 -23.292 2.647 -7.678 1.00 0.00 N ATOM 262 CA LEU A 18 -23.167 1.705 -8.746 1.00 0.00 C ATOM 263 C LEU A 18 -23.013 0.302 -8.267 1.00 0.00 C ATOM 264 O LEU A 18 -23.411 -0.645 -8.944 1.00 0.00 O ATOM 265 CB LEU A 18 -21.987 2.008 -9.685 1.00 0.00 C ATOM 266 CG LEU A 18 -22.549 2.481 -11.036 1.00 0.00 C ATOM 267 CD1 LEU A 18 -23.148 3.897 -10.970 1.00 0.00 C ATOM 268 CD2 LEU A 18 -21.455 2.408 -12.114 1.00 0.00 C ATOM 0 H LEU A 18 -22.461 3.218 -7.527 1.00 0.00 H new ATOM 0 HA LEU A 18 -24.104 1.807 -9.294 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -21.345 2.775 -9.252 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -21.372 1.118 -9.821 1.00 0.00 H new ATOM 0 HG LEU A 18 -23.366 1.809 -11.298 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -23.529 4.177 -11.952 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -23.963 3.914 -10.246 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -22.377 4.604 -10.665 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -21.861 2.745 -13.068 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -20.620 3.048 -11.829 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -21.107 1.379 -12.210 1.00 0.00 H new ATOM 280 N PHE A 19 -22.314 0.026 -7.152 1.00 0.00 N ATOM 281 CA PHE A 19 -21.897 -1.285 -6.762 1.00 0.00 C ATOM 282 C PHE A 19 -23.019 -1.873 -5.977 1.00 0.00 C ATOM 283 O PHE A 19 -23.336 -3.058 -6.072 1.00 0.00 O ATOM 284 CB PHE A 19 -20.605 -1.173 -5.935 1.00 0.00 C ATOM 285 CG PHE A 19 -19.427 -0.714 -6.723 1.00 0.00 C ATOM 286 CD1 PHE A 19 -19.133 -1.358 -7.902 1.00 0.00 C ATOM 287 CD2 PHE A 19 -18.590 0.294 -6.305 1.00 0.00 C ATOM 288 CE1 PHE A 19 -17.984 -1.134 -8.623 1.00 0.00 C ATOM 289 CE2 PHE A 19 -17.551 0.658 -7.129 1.00 0.00 C ATOM 290 CZ PHE A 19 -17.235 -0.035 -8.274 1.00 0.00 C ATOM 0 H PHE A 19 -22.027 0.749 -6.493 1.00 0.00 H new ATOM 0 HA PHE A 19 -21.677 -1.926 -7.615 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -20.771 -0.480 -5.110 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -20.380 -2.145 -5.495 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -19.843 -2.078 -8.282 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -18.744 0.786 -5.356 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -17.684 -1.791 -9.426 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -16.960 1.523 -6.866 1.00 0.00 H new ATOM 0 HZ PHE A 19 -16.408 0.281 -8.892 1.00 0.00 H new ATOM 300 N ASP A 20 -23.696 -1.004 -5.205 1.00 0.00 N ATOM 301 CA ASP A 20 -24.982 -1.226 -4.621 1.00 0.00 C ATOM 302 C ASP A 20 -25.960 -1.640 -5.666 1.00 0.00 C ATOM 303 O ASP A 20 -26.393 -0.779 -6.430 1.00 0.00 O ATOM 304 CB ASP A 20 -25.430 -0.080 -3.699 1.00 0.00 C ATOM 305 CG ASP A 20 -26.622 -0.468 -2.837 1.00 0.00 C ATOM 306 OD1 ASP A 20 -26.952 -1.674 -2.677 1.00 0.00 O ATOM 307 OD2 ASP A 20 -27.170 0.495 -2.236 1.00 0.00 O ATOM 0 H ASP A 20 -23.319 -0.085 -4.974 1.00 0.00 H new ATOM 0 HA ASP A 20 -24.917 -2.068 -3.931 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -24.599 0.213 -3.057 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -25.688 0.790 -4.303 1.00 0.00 H new ATOM 312 N LYS A 21 -26.336 -2.932 -5.656 1.00 0.00 N ATOM 313 CA LYS A 21 -27.071 -3.548 -6.717 1.00 0.00 C ATOM 314 C LYS A 21 -28.539 -3.581 -6.465 1.00 0.00 C ATOM 315 O LYS A 21 -29.305 -3.110 -7.304 1.00 0.00 O ATOM 316 CB LYS A 21 -26.463 -4.933 -6.994 1.00 0.00 C ATOM 317 CG LYS A 21 -26.942 -5.699 -8.229 1.00 0.00 C ATOM 318 CD LYS A 21 -26.079 -6.912 -8.580 1.00 0.00 C ATOM 319 CE LYS A 21 -25.921 -7.866 -7.394 1.00 0.00 C ATOM 320 NZ LYS A 21 -25.230 -9.128 -7.742 1.00 0.00 N ATOM 0 H LYS A 21 -26.122 -3.567 -4.887 1.00 0.00 H new ATOM 0 HA LYS A 21 -26.977 -2.941 -7.618 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -25.383 -4.812 -7.075 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -26.649 -5.559 -6.121 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -27.967 -6.031 -8.064 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -26.960 -5.020 -9.081 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -26.528 -7.446 -9.417 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -25.096 -6.575 -8.907 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -25.365 -7.362 -6.604 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -26.907 -8.099 -6.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -25.156 -9.728 -6.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -25.771 -9.629 -8.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -24.277 -8.915 -8.100 1.00 0.00 H new ATOM 334 N ASP A 22 -28.995 -4.113 -5.317 1.00 0.00 N ATOM 335 CA ASP A 22 -30.381 -4.069 -4.965 1.00 0.00 C ATOM 336 C ASP A 22 -30.794 -2.695 -4.566 1.00 0.00 C ATOM 337 O ASP A 22 -31.915 -2.267 -4.836 1.00 0.00 O ATOM 338 CB ASP A 22 -30.669 -5.167 -3.927 1.00 0.00 C ATOM 339 CG ASP A 22 -29.613 -5.405 -2.857 1.00 0.00 C ATOM 340 OD1 ASP A 22 -28.759 -4.511 -2.616 1.00 0.00 O ATOM 341 OD2 ASP A 22 -29.738 -6.461 -2.181 1.00 0.00 O ATOM 0 H ASP A 22 -28.401 -4.576 -4.629 1.00 0.00 H new ATOM 0 HA ASP A 22 -31.007 -4.290 -5.830 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -31.607 -4.923 -3.428 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -30.826 -6.104 -4.461 1.00 0.00 H new ATOM 346 N GLY A 23 -29.820 -1.878 -4.127 1.00 0.00 N ATOM 347 CA GLY A 23 -30.059 -0.514 -3.768 1.00 0.00 C ATOM 348 C GLY A 23 -30.573 -0.297 -2.386 1.00 0.00 C ATOM 349 O GLY A 23 -31.491 0.494 -2.179 1.00 0.00 O ATOM 0 H GLY A 23 -28.849 -2.170 -4.019 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -29.129 0.042 -3.883 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -30.773 -0.090 -4.474 1.00 0.00 H new ATOM 353 N ASP A 24 -30.112 -1.065 -1.382 1.00 0.00 N ATOM 354 CA ASP A 24 -30.529 -1.000 -0.016 1.00 0.00 C ATOM 355 C ASP A 24 -29.699 -0.085 0.817 1.00 0.00 C ATOM 356 O ASP A 24 -30.011 0.006 2.004 1.00 0.00 O ATOM 357 CB ASP A 24 -30.652 -2.351 0.709 1.00 0.00 C ATOM 358 CG ASP A 24 -29.445 -3.270 0.588 1.00 0.00 C ATOM 359 OD1 ASP A 24 -28.451 -2.884 -0.082 1.00 0.00 O ATOM 360 OD2 ASP A 24 -29.471 -4.460 1.001 1.00 0.00 O ATOM 0 H ASP A 24 -29.400 -1.779 -1.537 1.00 0.00 H new ATOM 0 HA ASP A 24 -31.536 -0.594 -0.114 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -30.838 -2.161 1.766 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -31.526 -2.874 0.321 1.00 0.00 H new ATOM 365 N GLY A 25 -28.653 0.578 0.294 1.00 0.00 N ATOM 366 CA GLY A 25 -27.846 1.645 0.801 1.00 0.00 C ATOM 367 C GLY A 25 -26.567 1.167 1.398 1.00 0.00 C ATOM 368 O GLY A 25 -25.758 1.996 1.812 1.00 0.00 O ATOM 0 H GLY A 25 -28.326 0.317 -0.636 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -27.626 2.344 -0.006 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -28.410 2.195 1.554 1.00 0.00 H new ATOM 372 N THR A 26 -26.297 -0.150 1.351 1.00 0.00 N ATOM 373 CA THR A 26 -25.066 -0.736 1.783 1.00 0.00 C ATOM 374 C THR A 26 -24.462 -1.602 0.732 1.00 0.00 C ATOM 375 O THR A 26 -25.143 -1.965 -0.226 1.00 0.00 O ATOM 376 CB THR A 26 -25.209 -1.510 3.060 1.00 0.00 C ATOM 377 OG1 THR A 26 -26.023 -2.673 3.047 1.00 0.00 O ATOM 378 CG2 THR A 26 -25.805 -0.680 4.210 1.00 0.00 C ATOM 0 H THR A 26 -26.965 -0.835 0.997 1.00 0.00 H new ATOM 0 HA THR A 26 -24.395 0.102 1.973 1.00 0.00 H new ATOM 0 HB THR A 26 -24.166 -1.795 3.196 1.00 0.00 H new ATOM 0 HG1 THR A 26 -26.755 -2.567 3.690 1.00 0.00 H new ATOM 0 HG21 THR A 26 -25.881 -1.299 5.104 1.00 0.00 H new ATOM 0 HG22 THR A 26 -25.160 0.174 4.414 1.00 0.00 H new ATOM 0 HG23 THR A 26 -26.797 -0.326 3.928 1.00 0.00 H new ATOM 386 N ILE A 27 -23.176 -1.933 0.948 1.00 0.00 N ATOM 387 CA ILE A 27 -22.643 -2.974 0.126 1.00 0.00 C ATOM 388 C ILE A 27 -22.311 -4.129 1.007 1.00 0.00 C ATOM 389 O ILE A 27 -21.909 -3.990 2.160 1.00 0.00 O ATOM 390 CB ILE A 27 -21.524 -2.558 -0.782 1.00 0.00 C ATOM 391 CG1 ILE A 27 -20.330 -1.872 -0.097 1.00 0.00 C ATOM 392 CG2 ILE A 27 -22.112 -1.709 -1.922 1.00 0.00 C ATOM 393 CD1 ILE A 27 -19.019 -1.975 -0.874 1.00 0.00 C ATOM 0 H ILE A 27 -22.547 -1.518 1.635 1.00 0.00 H new ATOM 0 HA ILE A 27 -23.407 -3.269 -0.593 1.00 0.00 H new ATOM 0 HB ILE A 27 -21.078 -3.472 -1.175 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -20.568 -0.819 0.054 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -20.190 -2.312 0.890 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -21.312 -1.397 -2.593 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -22.841 -2.299 -2.477 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -22.600 -0.828 -1.505 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -18.228 -1.466 -0.323 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -18.754 -3.024 -1.003 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -19.138 -1.508 -1.852 1.00 0.00 H new ATOM 405 N THR A 28 -22.611 -5.329 0.479 1.00 0.00 N ATOM 406 CA THR A 28 -22.390 -6.614 1.067 1.00 0.00 C ATOM 407 C THR A 28 -21.048 -7.239 0.897 1.00 0.00 C ATOM 408 O THR A 28 -20.196 -6.501 0.403 1.00 0.00 O ATOM 409 CB THR A 28 -23.413 -7.580 0.549 1.00 0.00 C ATOM 410 OG1 THR A 28 -23.472 -7.402 -0.859 1.00 0.00 O ATOM 411 CG2 THR A 28 -24.786 -7.214 1.138 1.00 0.00 C ATOM 0 H THR A 28 -23.046 -5.405 -0.440 1.00 0.00 H new ATOM 0 HA THR A 28 -22.468 -6.411 2.135 1.00 0.00 H new ATOM 0 HB THR A 28 -23.157 -8.605 0.816 1.00 0.00 H new ATOM 0 HG1 THR A 28 -24.236 -7.898 -1.220 1.00 0.00 H new ATOM 0 HG21 THR A 28 -25.538 -7.911 0.768 1.00 0.00 H new ATOM 0 HG22 THR A 28 -24.742 -7.271 2.226 1.00 0.00 H new ATOM 0 HG23 THR A 28 -25.052 -6.200 0.839 1.00 0.00 H new ATOM 419 N THR A 29 -20.835 -8.547 1.126 1.00 0.00 N ATOM 420 CA THR A 29 -19.696 -9.208 0.568 1.00 0.00 C ATOM 421 C THR A 29 -19.834 -9.230 -0.916 1.00 0.00 C ATOM 422 O THR A 29 -18.845 -8.978 -1.603 1.00 0.00 O ATOM 423 CB THR A 29 -19.593 -10.632 1.028 1.00 0.00 C ATOM 424 OG1 THR A 29 -20.845 -11.300 0.984 1.00 0.00 O ATOM 425 CG2 THR A 29 -19.087 -10.670 2.480 1.00 0.00 C ATOM 0 H THR A 29 -21.443 -9.141 1.690 1.00 0.00 H new ATOM 0 HA THR A 29 -18.808 -8.665 0.891 1.00 0.00 H new ATOM 0 HB THR A 29 -18.902 -11.137 0.354 1.00 0.00 H new ATOM 0 HG1 THR A 29 -20.733 -12.224 1.290 1.00 0.00 H new ATOM 0 HG21 THR A 29 -19.013 -11.705 2.812 1.00 0.00 H new ATOM 0 HG22 THR A 29 -18.105 -10.200 2.536 1.00 0.00 H new ATOM 0 HG23 THR A 29 -19.784 -10.132 3.122 1.00 0.00 H new ATOM 433 N LYS A 30 -21.005 -9.628 -1.445 1.00 0.00 N ATOM 434 CA LYS A 30 -21.282 -9.742 -2.843 1.00 0.00 C ATOM 435 C LYS A 30 -21.030 -8.539 -3.686 1.00 0.00 C ATOM 436 O LYS A 30 -20.443 -8.635 -4.762 1.00 0.00 O ATOM 437 CB LYS A 30 -22.772 -10.030 -3.094 1.00 0.00 C ATOM 438 CG LYS A 30 -23.261 -11.305 -2.405 1.00 0.00 C ATOM 439 CD LYS A 30 -24.748 -11.580 -2.641 1.00 0.00 C ATOM 440 CE LYS A 30 -25.172 -13.050 -2.638 1.00 0.00 C ATOM 441 NZ LYS A 30 -25.088 -13.602 -1.267 1.00 0.00 N ATOM 0 H LYS A 30 -21.803 -9.884 -0.864 1.00 0.00 H new ATOM 0 HA LYS A 30 -20.593 -10.538 -3.126 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -23.364 -9.185 -2.743 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -22.944 -10.115 -4.167 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -22.679 -12.153 -2.766 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -23.077 -11.226 -1.333 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -25.319 -11.057 -1.874 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -25.029 -11.144 -3.600 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -26.191 -13.143 -3.014 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -24.531 -13.623 -3.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -25.378 -14.601 -1.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -24.109 -13.529 -0.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -25.717 -13.065 -0.637 1.00 0.00 H new ATOM 455 N GLU A 31 -21.378 -7.325 -3.222 1.00 0.00 N ATOM 456 CA GLU A 31 -21.160 -6.063 -3.858 1.00 0.00 C ATOM 457 C GLU A 31 -19.846 -5.423 -3.570 1.00 0.00 C ATOM 458 O GLU A 31 -19.429 -4.555 -4.335 1.00 0.00 O ATOM 459 CB GLU A 31 -22.243 -5.024 -3.520 1.00 0.00 C ATOM 460 CG GLU A 31 -23.616 -5.503 -3.996 1.00 0.00 C ATOM 461 CD GLU A 31 -24.687 -4.869 -3.121 1.00 0.00 C ATOM 462 OE1 GLU A 31 -24.509 -4.747 -1.879 1.00 0.00 O ATOM 463 OE2 GLU A 31 -25.829 -4.589 -3.572 1.00 0.00 O ATOM 0 H GLU A 31 -21.852 -7.220 -2.325 1.00 0.00 H new ATOM 0 HA GLU A 31 -21.192 -6.336 -4.913 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.265 -4.851 -2.444 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -22.001 -4.072 -3.991 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -23.770 -5.229 -5.040 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -23.677 -6.590 -3.939 1.00 0.00 H new ATOM 470 N LEU A 32 -19.229 -5.853 -2.455 1.00 0.00 N ATOM 471 CA LEU A 32 -17.803 -5.787 -2.373 1.00 0.00 C ATOM 472 C LEU A 32 -16.955 -6.699 -3.192 1.00 0.00 C ATOM 473 O LEU A 32 -15.867 -6.433 -3.702 1.00 0.00 O ATOM 474 CB LEU A 32 -17.231 -5.672 -0.950 1.00 0.00 C ATOM 475 CG LEU A 32 -15.778 -5.200 -0.776 1.00 0.00 C ATOM 476 CD1 LEU A 32 -15.608 -3.717 -1.149 1.00 0.00 C ATOM 477 CD2 LEU A 32 -15.348 -5.449 0.679 1.00 0.00 C ATOM 0 H LEU A 32 -19.699 -6.235 -1.634 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.711 -4.834 -2.893 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.870 -4.989 -0.391 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.320 -6.650 -0.478 1.00 0.00 H new ATOM 0 HG LEU A 32 -15.141 -5.768 -1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -14.567 -3.424 -1.012 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.892 -3.569 -2.191 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.244 -3.106 -0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.318 -5.118 0.816 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.000 -4.892 1.352 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.420 -6.513 0.903 1.00 0.00 H new ATOM 489 N GLY A 33 -17.482 -7.840 -3.669 1.00 0.00 N ATOM 490 CA GLY A 33 -16.928 -8.689 -4.678 1.00 0.00 C ATOM 491 C GLY A 33 -17.032 -8.175 -6.073 1.00 0.00 C ATOM 492 O GLY A 33 -16.152 -8.398 -6.903 1.00 0.00 O ATOM 0 H GLY A 33 -18.371 -8.198 -3.318 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.876 -8.859 -4.449 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.426 -9.658 -4.628 1.00 0.00 H new ATOM 496 N THR A 34 -17.983 -7.257 -6.322 1.00 0.00 N ATOM 497 CA THR A 34 -18.040 -6.471 -7.515 1.00 0.00 C ATOM 498 C THR A 34 -16.954 -5.466 -7.698 1.00 0.00 C ATOM 499 O THR A 34 -16.535 -5.258 -8.835 1.00 0.00 O ATOM 500 CB THR A 34 -19.366 -5.773 -7.448 1.00 0.00 C ATOM 501 OG1 THR A 34 -20.445 -6.692 -7.361 1.00 0.00 O ATOM 502 CG2 THR A 34 -19.642 -5.147 -8.826 1.00 0.00 C ATOM 0 H THR A 34 -18.740 -7.055 -5.669 1.00 0.00 H new ATOM 0 HA THR A 34 -17.909 -7.136 -8.368 1.00 0.00 H new ATOM 0 HB THR A 34 -19.313 -5.092 -6.599 1.00 0.00 H new ATOM 0 HG1 THR A 34 -21.291 -6.200 -7.318 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.602 -4.632 -8.806 1.00 0.00 H new ATOM 0 HG22 THR A 34 -18.853 -4.435 -9.067 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.667 -5.931 -9.583 1.00 0.00 H new ATOM 510 N VAL A 35 -16.458 -4.909 -6.579 1.00 0.00 N ATOM 511 CA VAL A 35 -15.335 -4.030 -6.687 1.00 0.00 C ATOM 512 C VAL A 35 -14.122 -4.755 -7.160 1.00 0.00 C ATOM 513 O VAL A 35 -13.504 -4.467 -8.184 1.00 0.00 O ATOM 514 CB VAL A 35 -15.037 -3.173 -5.492 1.00 0.00 C ATOM 515 CG1 VAL A 35 -13.957 -2.116 -5.780 1.00 0.00 C ATOM 516 CG2 VAL A 35 -16.245 -2.478 -4.842 1.00 0.00 C ATOM 0 H VAL A 35 -16.816 -5.058 -5.636 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.645 -3.308 -7.443 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.674 -3.904 -4.770 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -13.780 -1.523 -4.883 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.033 -2.612 -6.076 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -14.293 -1.463 -6.586 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -15.910 -1.887 -3.990 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -16.724 -1.824 -5.571 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -16.959 -3.229 -4.504 1.00 0.00 H new ATOM 526 N MET A 36 -13.741 -5.760 -6.352 1.00 0.00 N ATOM 527 CA MET A 36 -12.589 -6.588 -6.532 1.00 0.00 C ATOM 528 C MET A 36 -12.620 -7.335 -7.821 1.00 0.00 C ATOM 529 O MET A 36 -11.567 -7.477 -8.440 1.00 0.00 O ATOM 530 CB MET A 36 -12.519 -7.614 -5.388 1.00 0.00 C ATOM 531 CG MET A 36 -12.192 -7.097 -3.985 1.00 0.00 C ATOM 532 SD MET A 36 -10.900 -5.836 -3.773 1.00 0.00 S ATOM 533 CE MET A 36 -11.432 -5.127 -2.188 1.00 0.00 C ATOM 0 H MET A 36 -14.273 -6.010 -5.518 1.00 0.00 H new ATOM 0 HA MET A 36 -11.719 -5.931 -6.537 1.00 0.00 H new ATOM 0 HB2 MET A 36 -13.479 -8.128 -5.340 1.00 0.00 H new ATOM 0 HB3 MET A 36 -11.770 -8.360 -5.653 1.00 0.00 H new ATOM 0 HG2 MET A 36 -13.113 -6.695 -3.562 1.00 0.00 H new ATOM 0 HG3 MET A 36 -11.911 -7.957 -3.377 1.00 0.00 H new ATOM 0 HE1 MET A 36 -10.719 -4.366 -1.872 1.00 0.00 H new ATOM 0 HE2 MET A 36 -12.417 -4.675 -2.304 1.00 0.00 H new ATOM 0 HE3 MET A 36 -11.480 -5.914 -1.435 1.00 0.00 H new ATOM 543 N ARG A 37 -13.746 -7.898 -8.294 1.00 0.00 N ATOM 544 CA ARG A 37 -13.742 -8.486 -9.598 1.00 0.00 C ATOM 545 C ARG A 37 -13.439 -7.520 -10.691 1.00 0.00 C ATOM 546 O ARG A 37 -12.690 -7.881 -11.598 1.00 0.00 O ATOM 547 CB ARG A 37 -15.098 -9.177 -9.822 1.00 0.00 C ATOM 548 CG ARG A 37 -15.040 -10.289 -10.871 1.00 0.00 C ATOM 549 CD ARG A 37 -16.276 -11.186 -10.776 1.00 0.00 C ATOM 550 NE ARG A 37 -16.095 -12.202 -11.850 1.00 0.00 N ATOM 551 CZ ARG A 37 -16.974 -13.215 -12.104 1.00 0.00 C ATOM 552 NH1 ARG A 37 -18.157 -13.247 -11.423 1.00 0.00 N ATOM 553 NH2 ARG A 37 -16.660 -14.204 -12.992 1.00 0.00 N ATOM 0 H ARG A 37 -14.633 -7.947 -7.793 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.931 -9.213 -9.637 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -15.446 -9.595 -8.877 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -15.832 -8.432 -10.131 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -14.977 -9.853 -11.868 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -14.139 -10.886 -10.727 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -16.349 -11.656 -9.795 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -17.192 -10.614 -10.924 1.00 0.00 H new ATOM 0 HE ARG A 37 -15.261 -12.137 -12.433 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -18.371 -12.522 -10.738 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -18.827 -13.996 -11.599 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -15.761 -14.191 -13.473 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -17.325 -14.956 -13.174 1.00 0.00 H new ATOM 567 N SER A 38 -13.890 -6.256 -10.607 1.00 0.00 N ATOM 568 CA SER A 38 -13.601 -5.282 -11.614 1.00 0.00 C ATOM 569 C SER A 38 -12.158 -4.913 -11.640 1.00 0.00 C ATOM 570 O SER A 38 -11.668 -4.452 -12.670 1.00 0.00 O ATOM 571 CB SER A 38 -14.617 -4.138 -11.460 1.00 0.00 C ATOM 572 OG SER A 38 -14.701 -3.218 -12.539 1.00 0.00 O ATOM 0 H SER A 38 -14.459 -5.906 -9.836 1.00 0.00 H new ATOM 0 HA SER A 38 -13.736 -5.679 -12.620 1.00 0.00 H new ATOM 0 HB2 SER A 38 -15.603 -4.576 -11.307 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.371 -3.582 -10.555 1.00 0.00 H new ATOM 0 HG SER A 38 -15.376 -2.537 -12.336 1.00 0.00 H new ATOM 578 N LEU A 39 -11.371 -5.176 -10.582 1.00 0.00 N ATOM 579 CA LEU A 39 -9.947 -5.066 -10.496 1.00 0.00 C ATOM 580 C LEU A 39 -9.199 -6.353 -10.566 1.00 0.00 C ATOM 581 O LEU A 39 -8.036 -6.404 -10.169 1.00 0.00 O ATOM 582 CB LEU A 39 -9.598 -4.335 -9.189 1.00 0.00 C ATOM 583 CG LEU A 39 -9.632 -2.801 -9.280 1.00 0.00 C ATOM 584 CD1 LEU A 39 -8.398 -2.315 -10.058 1.00 0.00 C ATOM 585 CD2 LEU A 39 -10.883 -2.085 -9.818 1.00 0.00 C ATOM 0 H LEU A 39 -11.773 -5.497 -9.701 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.630 -4.513 -11.380 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -10.294 -4.655 -8.413 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.602 -4.644 -8.871 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.647 -2.515 -8.228 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.416 -1.227 -10.126 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.493 -2.631 -9.539 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.409 -2.742 -11.061 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.719 -1.008 -9.806 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.078 -2.411 -10.840 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.740 -2.328 -9.190 1.00 0.00 H new ATOM 597 N GLY A 40 -9.802 -7.459 -11.036 1.00 0.00 N ATOM 598 CA GLY A 40 -9.199 -8.661 -11.521 1.00 0.00 C ATOM 599 C GLY A 40 -9.151 -9.693 -10.446 1.00 0.00 C ATOM 600 O GLY A 40 -8.284 -10.561 -10.528 1.00 0.00 O ATOM 0 H GLY A 40 -10.820 -7.514 -11.080 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.764 -9.040 -12.372 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.190 -8.451 -11.876 1.00 0.00 H new ATOM 604 N GLN A 41 -9.920 -9.621 -9.345 1.00 0.00 N ATOM 605 CA GLN A 41 -9.691 -10.506 -8.246 1.00 0.00 C ATOM 606 C GLN A 41 -10.872 -11.361 -7.939 1.00 0.00 C ATOM 607 O GLN A 41 -12.040 -11.110 -8.233 1.00 0.00 O ATOM 608 CB GLN A 41 -9.449 -9.643 -6.996 1.00 0.00 C ATOM 609 CG GLN A 41 -8.363 -8.587 -7.211 1.00 0.00 C ATOM 610 CD GLN A 41 -8.295 -7.657 -6.008 1.00 0.00 C ATOM 611 OE1 GLN A 41 -8.330 -6.437 -6.160 1.00 0.00 O ATOM 612 NE2 GLN A 41 -8.327 -8.188 -4.756 1.00 0.00 N ATOM 0 H GLN A 41 -10.688 -8.962 -9.216 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.850 -11.147 -8.510 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.379 -9.150 -6.714 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.165 -10.287 -6.164 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.398 -9.071 -7.362 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.576 -8.013 -8.113 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.298 -9.200 -4.630 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.380 -7.574 -3.943 1.00 0.00 H new ATOM 621 N ASN A 42 -10.612 -12.488 -7.252 1.00 0.00 N ATOM 622 CA ASN A 42 -11.585 -13.438 -6.811 1.00 0.00 C ATOM 623 C ASN A 42 -11.385 -13.913 -5.413 1.00 0.00 C ATOM 624 O ASN A 42 -11.266 -15.131 -5.287 1.00 0.00 O ATOM 625 CB ASN A 42 -11.732 -14.548 -7.865 1.00 0.00 C ATOM 626 CG ASN A 42 -11.947 -14.198 -9.331 1.00 0.00 C ATOM 627 OD1 ASN A 42 -10.986 -14.361 -10.080 1.00 0.00 O ATOM 628 ND2 ASN A 42 -13.213 -13.916 -9.739 1.00 0.00 N ATOM 0 H ASN A 42 -9.662 -12.751 -6.989 1.00 0.00 H new ATOM 0 HA ASN A 42 -12.549 -12.934 -6.736 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.835 -15.165 -7.810 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -12.569 -15.175 -7.558 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -13.420 -13.825 -10.734 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -13.956 -13.795 -9.050 1.00 0.00 H new ATOM 635 N PRO A 43 -11.277 -13.115 -4.392 1.00 0.00 N ATOM 636 CA PRO A 43 -11.254 -13.637 -3.057 1.00 0.00 C ATOM 637 C PRO A 43 -12.534 -14.290 -2.664 1.00 0.00 C ATOM 638 O PRO A 43 -13.594 -14.125 -3.267 1.00 0.00 O ATOM 639 CB PRO A 43 -10.960 -12.408 -2.199 1.00 0.00 C ATOM 640 CG PRO A 43 -11.537 -11.250 -3.030 1.00 0.00 C ATOM 641 CD PRO A 43 -11.127 -11.669 -4.451 1.00 0.00 C ATOM 0 HA PRO A 43 -10.514 -14.429 -2.942 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -11.436 -12.477 -1.221 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.891 -12.285 -2.025 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -12.618 -11.165 -2.922 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -11.111 -10.288 -2.746 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -11.769 -11.222 -5.210 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.104 -11.374 -4.685 1.00 0.00 H new ATOM 649 N THR A 44 -12.551 -15.035 -1.544 1.00 0.00 N ATOM 650 CA THR A 44 -13.688 -15.655 -0.937 1.00 0.00 C ATOM 651 C THR A 44 -14.507 -14.691 -0.150 1.00 0.00 C ATOM 652 O THR A 44 -14.023 -13.634 0.252 1.00 0.00 O ATOM 653 CB THR A 44 -13.348 -16.856 -0.104 1.00 0.00 C ATOM 654 OG1 THR A 44 -12.498 -16.517 0.982 1.00 0.00 O ATOM 655 CG2 THR A 44 -12.716 -17.910 -1.028 1.00 0.00 C ATOM 0 H THR A 44 -11.695 -15.218 -1.020 1.00 0.00 H new ATOM 0 HA THR A 44 -14.288 -16.011 -1.775 1.00 0.00 H new ATOM 0 HB THR A 44 -14.252 -17.264 0.348 1.00 0.00 H new ATOM 0 HG1 THR A 44 -11.586 -16.377 0.652 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.459 -18.796 -0.447 1.00 0.00 H new ATOM 0 HG22 THR A 44 -13.426 -18.182 -1.809 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.815 -17.501 -1.484 1.00 0.00 H new ATOM 663 N GLU A 45 -15.771 -15.023 0.165 1.00 0.00 N ATOM 664 CA GLU A 45 -16.599 -14.140 0.926 1.00 0.00 C ATOM 665 C GLU A 45 -16.175 -13.950 2.342 1.00 0.00 C ATOM 666 O GLU A 45 -16.464 -12.857 2.826 1.00 0.00 O ATOM 667 CB GLU A 45 -18.066 -14.599 0.880 1.00 0.00 C ATOM 668 CG GLU A 45 -18.760 -14.472 -0.477 1.00 0.00 C ATOM 669 CD GLU A 45 -18.364 -15.491 -1.536 1.00 0.00 C ATOM 670 OE1 GLU A 45 -18.621 -16.702 -1.302 1.00 0.00 O ATOM 671 OE2 GLU A 45 -17.755 -15.045 -2.545 1.00 0.00 O ATOM 0 H GLU A 45 -16.219 -15.899 -0.106 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.488 -13.167 0.447 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -18.111 -15.642 1.194 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -18.631 -14.021 1.612 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -19.836 -14.544 -0.319 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.562 -13.475 -0.871 1.00 0.00 H new ATOM 678 N ALA A 46 -15.469 -14.896 2.988 1.00 0.00 N ATOM 679 CA ALA A 46 -14.998 -14.696 4.323 1.00 0.00 C ATOM 680 C ALA A 46 -13.850 -13.754 4.447 1.00 0.00 C ATOM 681 O ALA A 46 -13.673 -13.070 5.454 1.00 0.00 O ATOM 682 CB ALA A 46 -14.729 -16.060 4.981 1.00 0.00 C ATOM 0 H ALA A 46 -15.224 -15.800 2.585 1.00 0.00 H new ATOM 0 HA ALA A 46 -15.793 -14.187 4.868 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -14.370 -15.908 5.999 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -15.651 -16.641 5.004 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.975 -16.599 4.407 1.00 0.00 H new ATOM 688 N GLU A 47 -13.059 -13.634 3.366 1.00 0.00 N ATOM 689 CA GLU A 47 -11.944 -12.746 3.258 1.00 0.00 C ATOM 690 C GLU A 47 -12.383 -11.339 3.041 1.00 0.00 C ATOM 691 O GLU A 47 -11.908 -10.333 3.566 1.00 0.00 O ATOM 692 CB GLU A 47 -11.096 -13.165 2.046 1.00 0.00 C ATOM 693 CG GLU A 47 -10.220 -14.381 2.352 1.00 0.00 C ATOM 694 CD GLU A 47 -9.539 -14.780 1.050 1.00 0.00 C ATOM 695 OE1 GLU A 47 -10.257 -15.294 0.151 1.00 0.00 O ATOM 696 OE2 GLU A 47 -8.313 -14.567 0.856 1.00 0.00 O ATOM 0 H GLU A 47 -13.206 -14.187 2.522 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.378 -12.801 4.188 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.752 -13.393 1.206 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.464 -12.331 1.740 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.480 -14.141 3.116 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.823 -15.203 2.739 1.00 0.00 H new ATOM 703 N LEU A 48 -13.488 -11.140 2.300 1.00 0.00 N ATOM 704 CA LEU A 48 -14.250 -9.958 2.043 1.00 0.00 C ATOM 705 C LEU A 48 -14.919 -9.598 3.325 1.00 0.00 C ATOM 706 O LEU A 48 -14.842 -8.459 3.785 1.00 0.00 O ATOM 707 CB LEU A 48 -15.349 -10.116 0.978 1.00 0.00 C ATOM 708 CG LEU A 48 -14.781 -10.265 -0.443 1.00 0.00 C ATOM 709 CD1 LEU A 48 -15.811 -10.509 -1.558 1.00 0.00 C ATOM 710 CD2 LEU A 48 -14.131 -8.925 -0.829 1.00 0.00 C ATOM 0 H LEU A 48 -13.904 -11.932 1.810 1.00 0.00 H new ATOM 0 HA LEU A 48 -13.560 -9.205 1.662 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.957 -10.989 1.215 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.009 -9.250 1.012 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.121 -11.131 -0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -15.297 -10.598 -2.515 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -16.358 -11.429 -1.353 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -16.509 -9.673 -1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -13.717 -8.998 -1.835 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -14.882 -8.135 -0.802 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -13.333 -8.691 -0.124 1.00 0.00 H new ATOM 722 N GLN A 49 -15.621 -10.513 4.016 1.00 0.00 N ATOM 723 CA GLN A 49 -16.186 -10.341 5.319 1.00 0.00 C ATOM 724 C GLN A 49 -15.282 -9.807 6.376 1.00 0.00 C ATOM 725 O GLN A 49 -15.597 -9.055 7.297 1.00 0.00 O ATOM 726 CB GLN A 49 -16.966 -11.578 5.794 1.00 0.00 C ATOM 727 CG GLN A 49 -17.907 -11.277 6.963 1.00 0.00 C ATOM 728 CD GLN A 49 -18.999 -10.343 6.463 1.00 0.00 C ATOM 729 OE1 GLN A 49 -19.817 -10.764 5.646 1.00 0.00 O ATOM 730 NE2 GLN A 49 -19.110 -9.064 6.911 1.00 0.00 N ATOM 0 H GLN A 49 -15.807 -11.441 3.635 1.00 0.00 H new ATOM 0 HA GLN A 49 -16.896 -9.528 5.165 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -17.545 -11.978 4.962 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -16.261 -12.353 6.093 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -18.342 -12.199 7.348 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -17.358 -10.816 7.784 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -18.439 -8.701 7.588 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -19.864 -8.468 6.570 1.00 0.00 H new ATOM 739 N ASP A 50 -14.015 -10.259 6.361 1.00 0.00 N ATOM 740 CA ASP A 50 -13.060 -9.837 7.338 1.00 0.00 C ATOM 741 C ASP A 50 -12.808 -8.374 7.213 1.00 0.00 C ATOM 742 O ASP A 50 -12.826 -7.614 8.181 1.00 0.00 O ATOM 743 CB ASP A 50 -11.820 -10.733 7.184 1.00 0.00 C ATOM 744 CG ASP A 50 -12.028 -12.108 7.802 1.00 0.00 C ATOM 745 OD1 ASP A 50 -12.909 -12.379 8.661 1.00 0.00 O ATOM 746 OD2 ASP A 50 -11.169 -12.973 7.482 1.00 0.00 O ATOM 0 H ASP A 50 -13.652 -10.917 5.672 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.422 -9.960 8.359 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.582 -10.844 6.126 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.963 -10.250 7.655 1.00 0.00 H new ATOM 751 N MET A 51 -12.460 -7.946 5.987 1.00 0.00 N ATOM 752 CA MET A 51 -12.163 -6.572 5.722 1.00 0.00 C ATOM 753 C MET A 51 -13.333 -5.650 5.765 1.00 0.00 C ATOM 754 O MET A 51 -13.105 -4.460 5.977 1.00 0.00 O ATOM 755 CB MET A 51 -11.470 -6.448 4.355 1.00 0.00 C ATOM 756 CG MET A 51 -12.238 -6.767 3.071 1.00 0.00 C ATOM 757 SD MET A 51 -11.445 -6.289 1.506 1.00 0.00 S ATOM 758 CE MET A 51 -10.554 -7.862 1.340 1.00 0.00 C ATOM 0 H MET A 51 -12.384 -8.556 5.173 1.00 0.00 H new ATOM 0 HA MET A 51 -11.510 -6.257 6.536 1.00 0.00 H new ATOM 0 HB2 MET A 51 -11.107 -5.424 4.268 1.00 0.00 H new ATOM 0 HB3 MET A 51 -10.594 -7.096 4.377 1.00 0.00 H new ATOM 0 HG2 MET A 51 -12.425 -7.841 3.044 1.00 0.00 H new ATOM 0 HG3 MET A 51 -13.209 -6.276 3.124 1.00 0.00 H new ATOM 0 HE1 MET A 51 -9.918 -7.828 0.455 1.00 0.00 H new ATOM 0 HE2 MET A 51 -9.938 -8.026 2.224 1.00 0.00 H new ATOM 0 HE3 MET A 51 -11.271 -8.677 1.241 1.00 0.00 H new ATOM 768 N ILE A 52 -14.570 -6.175 5.718 1.00 0.00 N ATOM 769 CA ILE A 52 -15.795 -5.463 5.914 1.00 0.00 C ATOM 770 C ILE A 52 -15.891 -5.068 7.347 1.00 0.00 C ATOM 771 O ILE A 52 -16.168 -3.918 7.685 1.00 0.00 O ATOM 772 CB ILE A 52 -16.949 -6.309 5.465 1.00 0.00 C ATOM 773 CG1 ILE A 52 -16.945 -6.201 3.930 1.00 0.00 C ATOM 774 CG2 ILE A 52 -18.295 -5.796 6.005 1.00 0.00 C ATOM 775 CD1 ILE A 52 -18.036 -6.983 3.200 1.00 0.00 C ATOM 0 H ILE A 52 -14.724 -7.166 5.530 1.00 0.00 H new ATOM 0 HA ILE A 52 -15.821 -4.553 5.314 1.00 0.00 H new ATOM 0 HB ILE A 52 -16.840 -7.330 5.831 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -17.037 -5.149 3.660 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -15.976 -6.541 3.564 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -19.099 -6.442 5.652 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -18.276 -5.803 7.095 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -18.465 -4.779 5.651 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -17.935 -6.832 2.125 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -17.938 -8.044 3.428 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -19.015 -6.631 3.525 1.00 0.00 H new ATOM 787 N ASN A 53 -15.675 -6.069 8.219 1.00 0.00 N ATOM 788 CA ASN A 53 -15.795 -6.012 9.642 1.00 0.00 C ATOM 789 C ASN A 53 -14.787 -5.111 10.269 1.00 0.00 C ATOM 790 O ASN A 53 -15.024 -4.635 11.377 1.00 0.00 O ATOM 791 CB ASN A 53 -15.621 -7.367 10.348 1.00 0.00 C ATOM 792 CG ASN A 53 -16.911 -8.146 10.130 1.00 0.00 C ATOM 793 OD1 ASN A 53 -17.965 -7.608 9.794 1.00 0.00 O ATOM 794 ND2 ASN A 53 -16.851 -9.485 10.360 1.00 0.00 N ATOM 0 H ASN A 53 -15.393 -6.995 7.899 1.00 0.00 H new ATOM 0 HA ASN A 53 -16.812 -5.644 9.777 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.768 -7.909 9.939 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.429 -7.227 11.412 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -17.688 -10.059 10.254 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.969 -9.916 10.638 1.00 0.00 H new ATOM 801 N GLU A 54 -13.690 -4.721 9.595 1.00 0.00 N ATOM 802 CA GLU A 54 -12.748 -3.771 10.100 1.00 0.00 C ATOM 803 C GLU A 54 -13.379 -2.425 10.203 1.00 0.00 C ATOM 804 O GLU A 54 -13.244 -1.704 11.191 1.00 0.00 O ATOM 805 CB GLU A 54 -11.462 -3.661 9.263 1.00 0.00 C ATOM 806 CG GLU A 54 -10.671 -4.962 9.119 1.00 0.00 C ATOM 807 CD GLU A 54 -9.305 -4.661 8.519 1.00 0.00 C ATOM 808 OE1 GLU A 54 -8.404 -4.213 9.277 1.00 0.00 O ATOM 809 OE2 GLU A 54 -9.098 -4.910 7.301 1.00 0.00 O ATOM 0 H GLU A 54 -13.451 -5.078 8.670 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.456 -4.140 11.083 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.724 -3.301 8.268 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.816 -2.909 9.715 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.556 -5.440 10.092 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.213 -5.662 8.483 1.00 0.00 H new ATOM 816 N VAL A 55 -14.146 -1.992 9.187 1.00 0.00 N ATOM 817 CA VAL A 55 -14.650 -0.667 8.994 1.00 0.00 C ATOM 818 C VAL A 55 -16.076 -0.423 9.347 1.00 0.00 C ATOM 819 O VAL A 55 -16.745 0.512 8.909 1.00 0.00 O ATOM 820 CB VAL A 55 -14.455 -0.207 7.579 1.00 0.00 C ATOM 821 CG1 VAL A 55 -12.930 -0.041 7.465 1.00 0.00 C ATOM 822 CG2 VAL A 55 -14.964 -1.223 6.543 1.00 0.00 C ATOM 0 H VAL A 55 -14.437 -2.622 8.439 1.00 0.00 H new ATOM 0 HA VAL A 55 -14.056 -0.097 9.708 1.00 0.00 H new ATOM 0 HB VAL A 55 -15.017 0.704 7.372 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -12.675 0.296 6.460 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.589 0.696 8.192 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -12.444 -0.997 7.662 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -14.796 -0.834 5.539 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.427 -2.164 6.662 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -16.030 -1.392 6.692 1.00 0.00 H new ATOM 832 N ASP A 56 -16.598 -1.390 10.123 1.00 0.00 N ATOM 833 CA ASP A 56 -17.970 -1.500 10.510 1.00 0.00 C ATOM 834 C ASP A 56 -18.171 -0.708 11.756 1.00 0.00 C ATOM 835 O ASP A 56 -17.551 -0.957 12.788 1.00 0.00 O ATOM 836 CB ASP A 56 -18.485 -2.949 10.479 1.00 0.00 C ATOM 837 CG ASP A 56 -19.997 -3.084 10.359 1.00 0.00 C ATOM 838 OD1 ASP A 56 -20.740 -2.076 10.224 1.00 0.00 O ATOM 839 OD2 ASP A 56 -20.391 -4.276 10.464 1.00 0.00 O ATOM 0 H ASP A 56 -16.024 -2.142 10.504 1.00 0.00 H new ATOM 0 HA ASP A 56 -18.633 -1.049 9.772 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.020 -3.468 9.641 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -18.160 -3.456 11.388 1.00 0.00 H new ATOM 844 N ALA A 57 -18.942 0.392 11.682 1.00 0.00 N ATOM 845 CA ALA A 57 -19.143 1.267 12.796 1.00 0.00 C ATOM 846 C ALA A 57 -20.341 0.865 13.585 1.00 0.00 C ATOM 847 O ALA A 57 -20.435 0.972 14.807 1.00 0.00 O ATOM 848 CB ALA A 57 -19.195 2.717 12.287 1.00 0.00 C ATOM 0 H ALA A 57 -19.434 0.679 10.836 1.00 0.00 H new ATOM 0 HA ALA A 57 -18.307 1.193 13.491 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -19.348 3.393 13.128 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -18.256 2.962 11.791 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -20.018 2.825 11.580 1.00 0.00 H new ATOM 854 N ASP A 58 -21.463 0.575 12.902 1.00 0.00 N ATOM 855 CA ASP A 58 -22.719 0.088 13.384 1.00 0.00 C ATOM 856 C ASP A 58 -22.628 -1.317 13.872 1.00 0.00 C ATOM 857 O ASP A 58 -23.231 -1.716 14.867 1.00 0.00 O ATOM 858 CB ASP A 58 -23.881 0.342 12.410 1.00 0.00 C ATOM 859 CG ASP A 58 -23.514 -0.193 11.033 1.00 0.00 C ATOM 860 OD1 ASP A 58 -23.385 -1.436 10.872 1.00 0.00 O ATOM 861 OD2 ASP A 58 -23.442 0.622 10.074 1.00 0.00 O ATOM 0 H ASP A 58 -21.489 0.698 11.890 1.00 0.00 H new ATOM 0 HA ASP A 58 -22.969 0.685 14.261 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -24.786 -0.145 12.772 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -24.095 1.409 12.352 1.00 0.00 H new ATOM 866 N GLY A 59 -21.867 -2.130 13.117 1.00 0.00 N ATOM 867 CA GLY A 59 -21.734 -3.549 13.229 1.00 0.00 C ATOM 868 C GLY A 59 -22.708 -4.451 12.552 1.00 0.00 C ATOM 869 O GLY A 59 -22.965 -5.595 12.923 1.00 0.00 O ATOM 0 H GLY A 59 -21.294 -1.758 12.360 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -20.742 -3.810 12.860 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -21.753 -3.792 14.291 1.00 0.00 H new ATOM 873 N ASN A 60 -23.402 -4.019 11.484 1.00 0.00 N ATOM 874 CA ASN A 60 -24.407 -4.770 10.797 1.00 0.00 C ATOM 875 C ASN A 60 -23.861 -5.715 9.783 1.00 0.00 C ATOM 876 O ASN A 60 -24.598 -6.482 9.165 1.00 0.00 O ATOM 877 CB ASN A 60 -25.451 -3.816 10.192 1.00 0.00 C ATOM 878 CG ASN A 60 -24.961 -2.885 9.093 1.00 0.00 C ATOM 879 OD1 ASN A 60 -23.813 -2.885 8.650 1.00 0.00 O ATOM 880 ND2 ASN A 60 -25.961 -2.257 8.418 1.00 0.00 N ATOM 0 H ASN A 60 -23.254 -3.095 11.078 1.00 0.00 H new ATOM 0 HA ASN A 60 -24.893 -5.406 11.536 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -26.270 -4.415 9.793 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -25.864 -3.207 10.996 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -25.762 -1.781 7.538 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -26.910 -2.262 8.792 1.00 0.00 H new ATOM 887 N GLY A 61 -22.538 -5.686 9.543 1.00 0.00 N ATOM 888 CA GLY A 61 -21.779 -6.593 8.739 1.00 0.00 C ATOM 889 C GLY A 61 -21.811 -6.273 7.284 1.00 0.00 C ATOM 890 O GLY A 61 -21.355 -7.048 6.445 1.00 0.00 O ATOM 0 H GLY A 61 -21.948 -4.961 9.950 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -20.744 -6.589 9.080 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -22.160 -7.603 8.888 1.00 0.00 H new ATOM 894 N THR A 62 -22.389 -5.126 6.884 1.00 0.00 N ATOM 895 CA THR A 62 -22.354 -4.648 5.537 1.00 0.00 C ATOM 896 C THR A 62 -21.848 -3.247 5.543 1.00 0.00 C ATOM 897 O THR A 62 -21.864 -2.592 6.584 1.00 0.00 O ATOM 898 CB THR A 62 -23.708 -4.691 4.893 1.00 0.00 C ATOM 899 OG1 THR A 62 -24.738 -3.979 5.563 1.00 0.00 O ATOM 900 CG2 THR A 62 -24.020 -6.177 4.645 1.00 0.00 C ATOM 0 H THR A 62 -22.897 -4.511 7.519 1.00 0.00 H new ATOM 0 HA THR A 62 -21.696 -5.295 4.958 1.00 0.00 H new ATOM 0 HB THR A 62 -23.676 -4.138 3.954 1.00 0.00 H new ATOM 0 HG1 THR A 62 -25.272 -3.483 4.908 1.00 0.00 H new ATOM 0 HG21 THR A 62 -24.999 -6.270 4.175 1.00 0.00 H new ATOM 0 HG22 THR A 62 -23.261 -6.604 3.989 1.00 0.00 H new ATOM 0 HG23 THR A 62 -24.021 -6.712 5.595 1.00 0.00 H new ATOM 908 N ILE A 63 -21.302 -2.711 4.437 1.00 0.00 N ATOM 909 CA ILE A 63 -20.548 -1.497 4.394 1.00 0.00 C ATOM 910 C ILE A 63 -21.462 -0.389 3.997 1.00 0.00 C ATOM 911 O ILE A 63 -21.883 -0.218 2.855 1.00 0.00 O ATOM 912 CB ILE A 63 -19.354 -1.472 3.485 1.00 0.00 C ATOM 913 CG1 ILE A 63 -18.518 -2.761 3.437 1.00 0.00 C ATOM 914 CG2 ILE A 63 -18.563 -0.235 3.942 1.00 0.00 C ATOM 915 CD1 ILE A 63 -17.532 -2.709 2.271 1.00 0.00 C ATOM 0 H ILE A 63 -21.392 -3.150 3.521 1.00 0.00 H new ATOM 0 HA ILE A 63 -20.137 -1.391 5.398 1.00 0.00 H new ATOM 0 HB ILE A 63 -19.668 -1.411 2.443 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -17.977 -2.887 4.375 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -19.174 -3.625 3.329 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -17.665 -0.131 3.332 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -19.182 0.655 3.830 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -18.280 -0.350 4.988 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -16.946 -3.628 2.249 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -18.081 -2.605 1.335 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -16.865 -1.856 2.397 1.00 0.00 H new ATOM 927 N ASP A 64 -21.809 0.474 4.969 1.00 0.00 N ATOM 928 CA ASP A 64 -22.610 1.641 4.767 1.00 0.00 C ATOM 929 C ASP A 64 -21.692 2.645 4.160 1.00 0.00 C ATOM 930 O ASP A 64 -20.470 2.503 4.184 1.00 0.00 O ATOM 931 CB ASP A 64 -23.261 2.202 6.042 1.00 0.00 C ATOM 932 CG ASP A 64 -24.160 1.150 6.675 1.00 0.00 C ATOM 933 OD1 ASP A 64 -23.692 0.084 7.159 1.00 0.00 O ATOM 934 OD2 ASP A 64 -25.409 1.292 6.581 1.00 0.00 O ATOM 0 H ASP A 64 -21.518 0.352 5.939 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.459 1.390 4.132 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -22.490 2.507 6.750 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -23.843 3.092 5.802 1.00 0.00 H new ATOM 939 N PHE A 65 -22.212 3.701 3.509 1.00 0.00 N ATOM 940 CA PHE A 65 -21.432 4.742 2.916 1.00 0.00 C ATOM 941 C PHE A 65 -20.442 5.428 3.793 1.00 0.00 C ATOM 942 O PHE A 65 -19.361 5.672 3.261 1.00 0.00 O ATOM 943 CB PHE A 65 -22.317 5.640 2.035 1.00 0.00 C ATOM 944 CG PHE A 65 -21.470 6.461 1.124 1.00 0.00 C ATOM 945 CD1 PHE A 65 -20.596 5.929 0.206 1.00 0.00 C ATOM 946 CD2 PHE A 65 -21.581 7.829 1.204 1.00 0.00 C ATOM 947 CE1 PHE A 65 -19.765 6.769 -0.497 1.00 0.00 C ATOM 948 CE2 PHE A 65 -20.724 8.680 0.547 1.00 0.00 C ATOM 949 CZ PHE A 65 -19.808 8.132 -0.321 1.00 0.00 C ATOM 0 H PHE A 65 -23.216 3.835 3.391 1.00 0.00 H new ATOM 0 HA PHE A 65 -20.724 4.252 2.248 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -23.003 5.027 1.451 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -22.926 6.291 2.662 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -20.562 4.863 0.039 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -22.372 8.251 1.806 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -19.063 6.349 -1.203 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -20.769 9.747 0.708 1.00 0.00 H new ATOM 0 HZ PHE A 65 -19.125 8.770 -0.862 1.00 0.00 H new ATOM 959 N PRO A 66 -20.622 5.877 5.000 1.00 0.00 N ATOM 960 CA PRO A 66 -19.552 6.526 5.700 1.00 0.00 C ATOM 961 C PRO A 66 -18.418 5.648 6.103 1.00 0.00 C ATOM 962 O PRO A 66 -17.435 6.208 6.586 1.00 0.00 O ATOM 963 CB PRO A 66 -20.217 7.196 6.901 1.00 0.00 C ATOM 964 CG PRO A 66 -21.648 7.478 6.415 1.00 0.00 C ATOM 965 CD PRO A 66 -21.893 6.170 5.646 1.00 0.00 C ATOM 0 HA PRO A 66 -19.059 7.234 5.033 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -20.212 6.546 7.776 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -19.702 8.114 7.183 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -22.351 7.624 7.235 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -21.712 8.361 5.779 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -22.190 5.365 6.318 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -22.692 6.285 4.914 1.00 0.00 H new ATOM 973 N GLU A 67 -18.617 4.318 6.088 1.00 0.00 N ATOM 974 CA GLU A 67 -17.574 3.348 6.212 1.00 0.00 C ATOM 975 C GLU A 67 -16.973 3.008 4.892 1.00 0.00 C ATOM 976 O GLU A 67 -15.848 2.515 4.945 1.00 0.00 O ATOM 977 CB GLU A 67 -18.274 2.051 6.654 1.00 0.00 C ATOM 978 CG GLU A 67 -19.266 2.258 7.800 1.00 0.00 C ATOM 979 CD GLU A 67 -20.095 1.031 8.148 1.00 0.00 C ATOM 980 OE1 GLU A 67 -20.488 0.202 7.284 1.00 0.00 O ATOM 981 OE2 GLU A 67 -20.403 0.857 9.358 1.00 0.00 O ATOM 0 H GLU A 67 -19.542 3.902 5.985 1.00 0.00 H new ATOM 0 HA GLU A 67 -16.808 3.733 6.885 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -18.800 1.621 5.801 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -17.520 1.326 6.962 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -18.716 2.572 8.687 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -19.940 3.073 7.537 1.00 0.00 H new ATOM 988 N PHE A 68 -17.572 3.246 3.711 1.00 0.00 N ATOM 989 CA PHE A 68 -17.010 3.179 2.397 1.00 0.00 C ATOM 990 C PHE A 68 -16.040 4.305 2.293 1.00 0.00 C ATOM 991 O PHE A 68 -14.937 4.122 1.780 1.00 0.00 O ATOM 992 CB PHE A 68 -18.094 3.201 1.307 1.00 0.00 C ATOM 993 CG PHE A 68 -17.499 2.970 -0.039 1.00 0.00 C ATOM 994 CD1 PHE A 68 -17.385 1.662 -0.445 1.00 0.00 C ATOM 995 CD2 PHE A 68 -17.065 4.000 -0.841 1.00 0.00 C ATOM 996 CE1 PHE A 68 -16.880 1.375 -1.691 1.00 0.00 C ATOM 997 CE2 PHE A 68 -16.806 3.689 -2.155 1.00 0.00 C ATOM 998 CZ PHE A 68 -16.633 2.393 -2.581 1.00 0.00 C ATOM 0 H PHE A 68 -18.556 3.514 3.676 1.00 0.00 H new ATOM 0 HA PHE A 68 -16.493 2.233 2.235 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -18.841 2.435 1.515 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -18.610 4.161 1.321 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -17.691 0.862 0.213 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -16.934 5.001 -0.458 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -16.678 0.351 -1.970 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -16.736 4.489 -2.877 1.00 0.00 H new ATOM 0 HZ PHE A 68 -16.311 2.180 -3.590 1.00 0.00 H new ATOM 1008 N LEU A 69 -16.336 5.523 2.781 1.00 0.00 N ATOM 1009 CA LEU A 69 -15.407 6.588 3.002 1.00 0.00 C ATOM 1010 C LEU A 69 -14.195 6.228 3.789 1.00 0.00 C ATOM 1011 O LEU A 69 -13.032 6.447 3.454 1.00 0.00 O ATOM 1012 CB LEU A 69 -16.110 7.843 3.545 1.00 0.00 C ATOM 1013 CG LEU A 69 -17.307 8.374 2.739 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -18.011 9.427 3.611 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -16.842 8.881 1.363 1.00 0.00 C ATOM 0 H LEU A 69 -17.289 5.780 3.038 1.00 0.00 H new ATOM 0 HA LEU A 69 -15.009 6.819 2.014 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -16.451 7.629 4.558 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.371 8.640 3.619 1.00 0.00 H new ATOM 0 HG LEU A 69 -18.033 7.594 2.510 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -18.869 9.830 3.073 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -18.348 8.965 4.539 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -17.315 10.234 3.840 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -17.700 9.254 0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -16.119 9.685 1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -16.377 8.063 0.812 1.00 0.00 H new ATOM 1027 N THR A 70 -14.406 5.577 4.947 1.00 0.00 N ATOM 1028 CA THR A 70 -13.426 5.065 5.855 1.00 0.00 C ATOM 1029 C THR A 70 -12.636 3.968 5.229 1.00 0.00 C ATOM 1030 O THR A 70 -11.410 3.934 5.322 1.00 0.00 O ATOM 1031 CB THR A 70 -14.041 4.587 7.136 1.00 0.00 C ATOM 1032 OG1 THR A 70 -14.636 5.684 7.815 1.00 0.00 O ATOM 1033 CG2 THR A 70 -12.940 4.062 8.073 1.00 0.00 C ATOM 0 H THR A 70 -15.353 5.393 5.277 1.00 0.00 H new ATOM 0 HA THR A 70 -12.756 5.892 6.093 1.00 0.00 H new ATOM 0 HB THR A 70 -14.771 3.814 6.896 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.522 5.862 7.435 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.389 3.715 9.004 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.417 3.235 7.592 1.00 0.00 H new ATOM 0 HG23 THR A 70 -12.233 4.863 8.288 1.00 0.00 H new ATOM 1041 N MET A 71 -13.234 3.009 4.500 1.00 0.00 N ATOM 1042 CA MET A 71 -12.550 2.011 3.739 1.00 0.00 C ATOM 1043 C MET A 71 -11.699 2.671 2.709 1.00 0.00 C ATOM 1044 O MET A 71 -10.543 2.291 2.530 1.00 0.00 O ATOM 1045 CB MET A 71 -13.480 0.902 3.216 1.00 0.00 C ATOM 1046 CG MET A 71 -12.696 -0.179 2.469 1.00 0.00 C ATOM 1047 SD MET A 71 -13.531 -1.674 1.861 1.00 0.00 S ATOM 1048 CE MET A 71 -13.623 -2.782 3.297 1.00 0.00 C ATOM 0 H MET A 71 -14.249 2.926 4.439 1.00 0.00 H new ATOM 0 HA MET A 71 -11.877 1.458 4.395 1.00 0.00 H new ATOM 0 HB2 MET A 71 -14.017 0.452 4.051 1.00 0.00 H new ATOM 0 HB3 MET A 71 -14.228 1.335 2.552 1.00 0.00 H new ATOM 0 HG2 MET A 71 -12.228 0.300 1.609 1.00 0.00 H new ATOM 0 HG3 MET A 71 -11.892 -0.506 3.128 1.00 0.00 H new ATOM 0 HE1 MET A 71 -13.759 -3.808 2.956 1.00 0.00 H new ATOM 0 HE2 MET A 71 -12.700 -2.710 3.872 1.00 0.00 H new ATOM 0 HE3 MET A 71 -14.466 -2.494 3.926 1.00 0.00 H new ATOM 1058 N MET A 72 -12.274 3.640 1.975 1.00 0.00 N ATOM 1059 CA MET A 72 -11.471 4.353 1.031 1.00 0.00 C ATOM 1060 C MET A 72 -10.326 5.140 1.570 1.00 0.00 C ATOM 1061 O MET A 72 -9.269 5.273 0.956 1.00 0.00 O ATOM 1062 CB MET A 72 -12.327 5.206 0.080 1.00 0.00 C ATOM 1063 CG MET A 72 -13.212 4.303 -0.781 1.00 0.00 C ATOM 1064 SD MET A 72 -12.285 3.284 -1.968 1.00 0.00 S ATOM 1065 CE MET A 72 -11.764 4.564 -3.145 1.00 0.00 C ATOM 0 H MET A 72 -13.253 3.922 2.029 1.00 0.00 H new ATOM 0 HA MET A 72 -10.989 3.549 0.475 1.00 0.00 H new ATOM 0 HB2 MET A 72 -12.946 5.895 0.654 1.00 0.00 H new ATOM 0 HB3 MET A 72 -11.683 5.812 -0.557 1.00 0.00 H new ATOM 0 HG2 MET A 72 -13.791 3.649 -0.129 1.00 0.00 H new ATOM 0 HG3 MET A 72 -13.925 4.922 -1.326 1.00 0.00 H new ATOM 0 HE1 MET A 72 -11.107 4.123 -3.895 1.00 0.00 H new ATOM 0 HE2 MET A 72 -12.641 4.987 -3.635 1.00 0.00 H new ATOM 0 HE3 MET A 72 -11.231 5.352 -2.613 1.00 0.00 H new ATOM 1075 N ALA A 73 -10.358 5.650 2.814 1.00 0.00 N ATOM 1076 CA ALA A 73 -9.322 6.373 3.484 1.00 0.00 C ATOM 1077 C ALA A 73 -8.206 5.500 3.945 1.00 0.00 C ATOM 1078 O ALA A 73 -7.101 6.031 3.844 1.00 0.00 O ATOM 1079 CB ALA A 73 -9.969 7.118 4.664 1.00 0.00 C ATOM 0 H ALA A 73 -11.185 5.546 3.402 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.866 7.072 2.784 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.206 7.682 5.200 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.730 7.802 4.289 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.430 6.398 5.340 1.00 0.00 H new ATOM 1234 N GLU A 83 3.252 2.399 7.707 1.00 0.00 N ATOM 1235 CA GLU A 83 4.456 3.168 7.638 1.00 0.00 C ATOM 1236 C GLU A 83 5.559 2.577 8.446 1.00 0.00 C ATOM 1237 O GLU A 83 6.686 2.661 7.960 1.00 0.00 O ATOM 1238 CB GLU A 83 4.226 4.566 8.238 1.00 0.00 C ATOM 1239 CG GLU A 83 3.277 5.463 7.441 1.00 0.00 C ATOM 1240 CD GLU A 83 3.996 6.208 6.326 1.00 0.00 C ATOM 1241 OE1 GLU A 83 4.519 7.321 6.601 1.00 0.00 O ATOM 1242 OE2 GLU A 83 3.988 5.728 5.161 1.00 0.00 O ATOM 0 HA GLU A 83 4.726 3.196 6.582 1.00 0.00 H new ATOM 0 HB2 GLU A 83 3.831 4.451 9.248 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.189 5.070 8.327 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.478 4.857 7.015 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.808 6.182 8.113 1.00 0.00 H new ATOM 1249 N GLU A 84 5.262 1.887 9.562 1.00 0.00 N ATOM 1250 CA GLU A 84 6.125 0.941 10.199 1.00 0.00 C ATOM 1251 C GLU A 84 6.480 -0.191 9.298 1.00 0.00 C ATOM 1252 O GLU A 84 7.599 -0.702 9.327 1.00 0.00 O ATOM 1253 CB GLU A 84 5.290 0.513 11.417 1.00 0.00 C ATOM 1254 CG GLU A 84 5.361 1.607 12.485 1.00 0.00 C ATOM 1255 CD GLU A 84 6.548 1.355 13.405 1.00 0.00 C ATOM 1256 OE1 GLU A 84 7.682 1.758 13.031 1.00 0.00 O ATOM 1257 OE2 GLU A 84 6.435 0.628 14.428 1.00 0.00 O ATOM 0 H GLU A 84 4.371 1.996 10.046 1.00 0.00 H new ATOM 0 HA GLU A 84 7.099 1.345 10.476 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.255 0.343 11.122 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.666 -0.428 11.818 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.457 2.584 12.012 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.438 1.623 13.064 1.00 0.00 H new ATOM 1264 N ILE A 85 5.619 -0.482 8.306 1.00 0.00 N ATOM 1265 CA ILE A 85 5.761 -1.607 7.435 1.00 0.00 C ATOM 1266 C ILE A 85 6.587 -1.224 6.256 1.00 0.00 C ATOM 1267 O ILE A 85 7.528 -1.951 5.941 1.00 0.00 O ATOM 1268 CB ILE A 85 4.497 -2.290 7.004 1.00 0.00 C ATOM 1269 CG1 ILE A 85 3.986 -3.246 8.096 1.00 0.00 C ATOM 1270 CG2 ILE A 85 4.745 -3.075 5.705 1.00 0.00 C ATOM 1271 CD1 ILE A 85 2.512 -3.634 7.983 1.00 0.00 C ATOM 0 H ILE A 85 4.796 0.085 8.104 1.00 0.00 H new ATOM 0 HA ILE A 85 6.260 -2.365 8.039 1.00 0.00 H new ATOM 0 HB ILE A 85 3.739 -1.526 6.832 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.587 -4.155 8.071 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.150 -2.782 9.069 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.824 -3.569 5.397 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.069 -2.390 4.922 1.00 0.00 H new ATOM 0 HG23 ILE A 85 5.519 -3.824 5.874 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.250 -4.309 8.798 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.894 -2.738 8.042 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.339 -4.132 7.029 1.00 0.00 H new ATOM 1283 N ARG A 86 6.521 -0.036 5.630 1.00 0.00 N ATOM 1284 CA ARG A 86 7.392 0.550 4.658 1.00 0.00 C ATOM 1285 C ARG A 86 8.788 0.524 5.180 1.00 0.00 C ATOM 1286 O ARG A 86 9.735 0.107 4.515 1.00 0.00 O ATOM 1287 CB ARG A 86 7.002 1.878 3.988 1.00 0.00 C ATOM 1288 CG ARG A 86 5.741 1.999 3.131 1.00 0.00 C ATOM 1289 CD ARG A 86 5.405 3.427 2.694 1.00 0.00 C ATOM 1290 NE ARG A 86 4.143 3.329 1.908 1.00 0.00 N ATOM 1291 CZ ARG A 86 2.920 3.346 2.513 1.00 0.00 C ATOM 1292 NH1 ARG A 86 2.650 3.835 3.758 1.00 0.00 N ATOM 1293 NH2 ARG A 86 1.839 2.934 1.788 1.00 0.00 N ATOM 0 H ARG A 86 5.749 0.597 5.838 1.00 0.00 H new ATOM 0 HA ARG A 86 7.283 -0.092 3.784 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.919 2.621 4.781 1.00 0.00 H new ATOM 0 HB3 ARG A 86 7.842 2.175 3.360 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.860 1.379 2.242 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.897 1.596 3.690 1.00 0.00 H new ATOM 0 HD2 ARG A 86 5.277 4.080 3.558 1.00 0.00 H new ATOM 0 HD3 ARG A 86 6.209 3.850 2.091 1.00 0.00 H new ATOM 0 HE ARG A 86 4.195 3.247 0.893 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.400 4.233 4.323 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.698 3.802 4.123 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.960 2.625 0.823 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.911 2.935 2.211 1.00 0.00 H new ATOM 1307 N GLU A 87 9.021 1.064 6.389 1.00 0.00 N ATOM 1308 CA GLU A 87 10.233 1.005 7.146 1.00 0.00 C ATOM 1309 C GLU A 87 10.833 -0.355 7.243 1.00 0.00 C ATOM 1310 O GLU A 87 11.990 -0.630 6.929 1.00 0.00 O ATOM 1311 CB GLU A 87 10.322 1.786 8.468 1.00 0.00 C ATOM 1312 CG GLU A 87 11.756 1.801 9.000 1.00 0.00 C ATOM 1313 CD GLU A 87 11.833 2.814 10.133 1.00 0.00 C ATOM 1314 OE1 GLU A 87 11.238 2.707 11.238 1.00 0.00 O ATOM 1315 OE2 GLU A 87 12.558 3.823 9.922 1.00 0.00 O ATOM 0 H GLU A 87 8.296 1.588 6.879 1.00 0.00 H new ATOM 0 HA GLU A 87 10.870 1.604 6.495 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.976 2.808 8.315 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.661 1.334 9.207 1.00 0.00 H new ATOM 0 HG2 GLU A 87 12.040 0.811 9.356 1.00 0.00 H new ATOM 0 HG3 GLU A 87 12.453 2.066 8.205 1.00 0.00 H new ATOM 1322 N ALA A 88 10.053 -1.386 7.614 1.00 0.00 N ATOM 1323 CA ALA A 88 10.571 -2.715 7.718 1.00 0.00 C ATOM 1324 C ALA A 88 10.740 -3.507 6.468 1.00 0.00 C ATOM 1325 O ALA A 88 11.625 -4.355 6.360 1.00 0.00 O ATOM 1326 CB ALA A 88 9.681 -3.453 8.732 1.00 0.00 C ATOM 0 H ALA A 88 9.063 -1.299 7.842 1.00 0.00 H new ATOM 0 HA ALA A 88 11.609 -2.612 8.035 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.035 -4.477 8.849 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.724 -2.942 9.694 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.652 -3.463 8.373 1.00 0.00 H new ATOM 1332 N PHE A 89 10.012 -3.055 5.431 1.00 0.00 N ATOM 1333 CA PHE A 89 10.167 -3.450 4.065 1.00 0.00 C ATOM 1334 C PHE A 89 11.578 -3.179 3.671 1.00 0.00 C ATOM 1335 O PHE A 89 12.263 -4.051 3.139 1.00 0.00 O ATOM 1336 CB PHE A 89 9.086 -2.794 3.191 1.00 0.00 C ATOM 1337 CG PHE A 89 9.190 -3.371 1.821 1.00 0.00 C ATOM 1338 CD1 PHE A 89 8.743 -4.653 1.603 1.00 0.00 C ATOM 1339 CD2 PHE A 89 9.471 -2.532 0.769 1.00 0.00 C ATOM 1340 CE1 PHE A 89 8.565 -5.131 0.326 1.00 0.00 C ATOM 1341 CE2 PHE A 89 9.314 -3.033 -0.502 1.00 0.00 C ATOM 1342 CZ PHE A 89 8.880 -4.316 -0.735 1.00 0.00 C ATOM 0 H PHE A 89 9.267 -2.369 5.556 1.00 0.00 H new ATOM 0 HA PHE A 89 10.004 -4.518 3.918 1.00 0.00 H new ATOM 0 HB2 PHE A 89 8.096 -2.977 3.608 1.00 0.00 H new ATOM 0 HB3 PHE A 89 9.224 -1.713 3.161 1.00 0.00 H new ATOM 0 HD1 PHE A 89 8.529 -5.293 2.446 1.00 0.00 H new ATOM 0 HD2 PHE A 89 9.803 -1.518 0.934 1.00 0.00 H new ATOM 0 HE1 PHE A 89 8.185 -6.128 0.160 1.00 0.00 H new ATOM 0 HE2 PHE A 89 9.539 -2.397 -1.345 1.00 0.00 H new ATOM 0 HZ PHE A 89 8.787 -4.682 -1.747 1.00 0.00 H new ATOM 1352 N ARG A 90 11.966 -1.894 3.755 1.00 0.00 N ATOM 1353 CA ARG A 90 13.242 -1.510 3.237 1.00 0.00 C ATOM 1354 C ARG A 90 14.427 -1.701 4.120 1.00 0.00 C ATOM 1355 O ARG A 90 15.587 -1.584 3.726 1.00 0.00 O ATOM 1356 CB ARG A 90 13.190 -0.021 2.853 1.00 0.00 C ATOM 1357 CG ARG A 90 12.989 0.978 3.994 1.00 0.00 C ATOM 1358 CD ARG A 90 12.962 2.394 3.415 1.00 0.00 C ATOM 1359 NE ARG A 90 14.362 2.784 3.087 1.00 0.00 N ATOM 1360 CZ ARG A 90 14.694 4.075 2.794 1.00 0.00 C ATOM 1361 NH1 ARG A 90 13.821 5.072 2.467 1.00 0.00 N ATOM 1362 NH2 ARG A 90 16.014 4.363 2.596 1.00 0.00 N ATOM 0 H ARG A 90 11.416 -1.141 4.168 1.00 0.00 H new ATOM 0 HA ARG A 90 13.398 -2.189 2.399 1.00 0.00 H new ATOM 0 HB2 ARG A 90 14.119 0.231 2.341 1.00 0.00 H new ATOM 0 HB3 ARG A 90 12.382 0.117 2.134 1.00 0.00 H new ATOM 0 HG2 ARG A 90 12.057 0.768 4.519 1.00 0.00 H new ATOM 0 HG3 ARG A 90 13.794 0.884 4.723 1.00 0.00 H new ATOM 0 HD2 ARG A 90 12.338 2.429 2.522 1.00 0.00 H new ATOM 0 HD3 ARG A 90 12.530 3.091 4.133 1.00 0.00 H new ATOM 0 HE ARG A 90 15.090 2.069 3.081 1.00 0.00 H new ATOM 0 HH11 ARG A 90 12.820 4.880 2.426 1.00 0.00 H new ATOM 0 HH12 ARG A 90 14.170 6.009 2.264 1.00 0.00 H new ATOM 0 HH21 ARG A 90 16.714 3.624 2.669 1.00 0.00 H new ATOM 0 HH22 ARG A 90 16.300 5.317 2.375 1.00 0.00 H new ATOM 1376 N VAL A 91 14.186 -2.085 5.386 1.00 0.00 N ATOM 1377 CA VAL A 91 15.180 -2.522 6.316 1.00 0.00 C ATOM 1378 C VAL A 91 15.505 -3.943 6.011 1.00 0.00 C ATOM 1379 O VAL A 91 16.690 -4.274 6.027 1.00 0.00 O ATOM 1380 CB VAL A 91 14.772 -2.341 7.748 1.00 0.00 C ATOM 1381 CG1 VAL A 91 15.535 -3.163 8.800 1.00 0.00 C ATOM 1382 CG2 VAL A 91 15.105 -0.927 8.253 1.00 0.00 C ATOM 0 H VAL A 91 13.246 -2.091 5.782 1.00 0.00 H new ATOM 0 HA VAL A 91 16.066 -1.898 6.198 1.00 0.00 H new ATOM 0 HB VAL A 91 13.721 -2.623 7.686 1.00 0.00 H new ATOM 0 HG11 VAL A 91 15.142 -2.939 9.792 1.00 0.00 H new ATOM 0 HG12 VAL A 91 15.410 -4.226 8.592 1.00 0.00 H new ATOM 0 HG13 VAL A 91 16.594 -2.908 8.763 1.00 0.00 H new ATOM 0 HG21 VAL A 91 14.796 -0.830 9.294 1.00 0.00 H new ATOM 0 HG22 VAL A 91 16.179 -0.757 8.176 1.00 0.00 H new ATOM 0 HG23 VAL A 91 14.576 -0.191 7.648 1.00 0.00 H new ATOM 1392 N PHE A 92 14.500 -4.779 5.693 1.00 0.00 N ATOM 1393 CA PHE A 92 14.634 -6.169 5.384 1.00 0.00 C ATOM 1394 C PHE A 92 15.327 -6.310 4.073 1.00 0.00 C ATOM 1395 O PHE A 92 16.194 -7.158 3.868 1.00 0.00 O ATOM 1396 CB PHE A 92 13.223 -6.775 5.306 1.00 0.00 C ATOM 1397 CG PHE A 92 12.562 -7.324 6.524 1.00 0.00 C ATOM 1398 CD1 PHE A 92 12.674 -6.638 7.710 1.00 0.00 C ATOM 1399 CD2 PHE A 92 11.909 -8.532 6.590 1.00 0.00 C ATOM 1400 CE1 PHE A 92 12.131 -7.141 8.868 1.00 0.00 C ATOM 1401 CE2 PHE A 92 11.309 -9.025 7.724 1.00 0.00 C ATOM 1402 CZ PHE A 92 11.360 -8.279 8.878 1.00 0.00 C ATOM 0 H PHE A 92 13.531 -4.462 5.649 1.00 0.00 H new ATOM 0 HA PHE A 92 15.217 -6.685 6.147 1.00 0.00 H new ATOM 0 HB2 PHE A 92 12.565 -6.005 4.904 1.00 0.00 H new ATOM 0 HB3 PHE A 92 13.259 -7.579 4.571 1.00 0.00 H new ATOM 0 HD1 PHE A 92 13.195 -5.692 7.732 1.00 0.00 H new ATOM 0 HD2 PHE A 92 11.865 -9.132 5.693 1.00 0.00 H new ATOM 0 HE1 PHE A 92 12.316 -6.626 9.799 1.00 0.00 H new ATOM 0 HE2 PHE A 92 10.807 -9.981 7.709 1.00 0.00 H new ATOM 0 HZ PHE A 92 10.814 -8.577 9.761 1.00 0.00 H new ATOM 1412 N ASP A 93 14.926 -5.477 3.096 1.00 0.00 N ATOM 1413 CA ASP A 93 15.479 -5.634 1.787 1.00 0.00 C ATOM 1414 C ASP A 93 16.898 -5.185 1.716 1.00 0.00 C ATOM 1415 O ASP A 93 17.377 -4.053 1.684 1.00 0.00 O ATOM 1416 CB ASP A 93 14.696 -4.819 0.744 1.00 0.00 C ATOM 1417 CG ASP A 93 15.036 -5.308 -0.656 1.00 0.00 C ATOM 1418 OD1 ASP A 93 15.156 -6.561 -0.698 1.00 0.00 O ATOM 1419 OD2 ASP A 93 15.295 -4.497 -1.585 1.00 0.00 O ATOM 0 H ASP A 93 14.247 -4.724 3.203 1.00 0.00 H new ATOM 0 HA ASP A 93 15.415 -6.701 1.572 1.00 0.00 H new ATOM 0 HB2 ASP A 93 13.625 -4.916 0.923 1.00 0.00 H new ATOM 0 HB3 ASP A 93 14.940 -3.761 0.838 1.00 0.00 H new ATOM 1424 N LYS A 94 17.656 -6.282 1.536 1.00 0.00 N ATOM 1425 CA LYS A 94 19.086 -6.246 1.518 1.00 0.00 C ATOM 1426 C LYS A 94 19.812 -5.215 0.725 1.00 0.00 C ATOM 1427 O LYS A 94 20.455 -4.318 1.270 1.00 0.00 O ATOM 1428 CB LYS A 94 19.616 -7.666 1.256 1.00 0.00 C ATOM 1429 CG LYS A 94 21.055 -7.967 1.678 1.00 0.00 C ATOM 1430 CD LYS A 94 21.534 -9.370 1.301 1.00 0.00 C ATOM 1431 CE LYS A 94 23.028 -9.521 1.599 1.00 0.00 C ATOM 1432 NZ LYS A 94 23.626 -10.745 1.021 1.00 0.00 N ATOM 0 H LYS A 94 17.266 -7.215 1.400 1.00 0.00 H new ATOM 0 HA LYS A 94 19.328 -5.876 2.514 1.00 0.00 H new ATOM 0 HB2 LYS A 94 18.960 -8.370 1.768 1.00 0.00 H new ATOM 0 HB3 LYS A 94 19.529 -7.867 0.188 1.00 0.00 H new ATOM 0 HG2 LYS A 94 21.718 -7.233 1.220 1.00 0.00 H new ATOM 0 HG3 LYS A 94 21.139 -7.843 2.758 1.00 0.00 H new ATOM 0 HD2 LYS A 94 20.968 -10.117 1.858 1.00 0.00 H new ATOM 0 HD3 LYS A 94 21.347 -9.553 0.243 1.00 0.00 H new ATOM 0 HE2 LYS A 94 23.557 -8.650 1.212 1.00 0.00 H new ATOM 0 HE3 LYS A 94 23.176 -9.529 2.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 24.637 -10.784 1.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 23.146 -11.582 1.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 23.516 -10.730 -0.013 1.00 0.00 H new ATOM 1446 N ASP A 95 19.640 -5.085 -0.602 1.00 0.00 N ATOM 1447 CA ASP A 95 20.196 -4.059 -1.429 1.00 0.00 C ATOM 1448 C ASP A 95 19.496 -2.744 -1.390 1.00 0.00 C ATOM 1449 O ASP A 95 20.052 -1.724 -0.986 1.00 0.00 O ATOM 1450 CB ASP A 95 20.377 -4.768 -2.782 1.00 0.00 C ATOM 1451 CG ASP A 95 19.206 -5.367 -3.548 1.00 0.00 C ATOM 1452 OD1 ASP A 95 18.027 -5.241 -3.122 1.00 0.00 O ATOM 1453 OD2 ASP A 95 19.390 -6.054 -4.588 1.00 0.00 O ATOM 0 H ASP A 95 19.072 -5.744 -1.134 1.00 0.00 H new ATOM 0 HA ASP A 95 21.153 -3.677 -1.073 1.00 0.00 H new ATOM 0 HB2 ASP A 95 20.854 -4.051 -3.450 1.00 0.00 H new ATOM 0 HB3 ASP A 95 21.091 -5.576 -2.619 1.00 0.00 H new ATOM 1458 N GLY A 96 18.175 -2.818 -1.633 1.00 0.00 N ATOM 1459 CA GLY A 96 17.257 -1.724 -1.705 1.00 0.00 C ATOM 1460 C GLY A 96 16.841 -1.279 -3.064 1.00 0.00 C ATOM 1461 O GLY A 96 17.074 -0.139 -3.465 1.00 0.00 O ATOM 0 H GLY A 96 17.714 -3.714 -1.791 1.00 0.00 H new ATOM 0 HA2 GLY A 96 16.360 -1.997 -1.149 1.00 0.00 H new ATOM 0 HA3 GLY A 96 17.704 -0.873 -1.192 1.00 0.00 H new ATOM 1465 N ASN A 97 16.065 -2.144 -3.740 1.00 0.00 N ATOM 1466 CA ASN A 97 15.682 -1.958 -5.106 1.00 0.00 C ATOM 1467 C ASN A 97 14.219 -1.760 -5.302 1.00 0.00 C ATOM 1468 O ASN A 97 13.839 -1.421 -6.422 1.00 0.00 O ATOM 1469 CB ASN A 97 16.201 -3.052 -6.054 1.00 0.00 C ATOM 1470 CG ASN A 97 15.549 -4.378 -5.689 1.00 0.00 C ATOM 1471 OD1 ASN A 97 15.232 -4.679 -4.539 1.00 0.00 O ATOM 1472 ND2 ASN A 97 15.385 -5.222 -6.743 1.00 0.00 N ATOM 0 H ASN A 97 15.693 -2.998 -3.325 1.00 0.00 H new ATOM 0 HA ASN A 97 16.178 -1.026 -5.378 1.00 0.00 H new ATOM 0 HB2 ASN A 97 15.973 -2.793 -7.088 1.00 0.00 H new ATOM 0 HB3 ASN A 97 17.285 -3.132 -5.977 1.00 0.00 H new ATOM 0 HD21 ASN A 97 14.984 -6.148 -6.597 1.00 0.00 H new ATOM 0 HD22 ASN A 97 15.663 -4.928 -7.679 1.00 0.00 H new ATOM 1479 N GLY A 98 13.296 -2.002 -4.353 1.00 0.00 N ATOM 1480 CA GLY A 98 11.882 -1.984 -4.566 1.00 0.00 C ATOM 1481 C GLY A 98 11.172 -3.213 -4.114 1.00 0.00 C ATOM 1482 O GLY A 98 10.084 -3.182 -3.541 1.00 0.00 O ATOM 0 H GLY A 98 13.549 -2.221 -3.390 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.460 -1.124 -4.046 1.00 0.00 H new ATOM 0 HA3 GLY A 98 11.690 -1.839 -5.629 1.00 0.00 H new ATOM 1486 N TYR A 99 11.713 -4.396 -4.454 1.00 0.00 N ATOM 1487 CA TYR A 99 11.211 -5.677 -4.063 1.00 0.00 C ATOM 1488 C TYR A 99 12.031 -6.330 -3.004 1.00 0.00 C ATOM 1489 O TYR A 99 13.248 -6.154 -3.020 1.00 0.00 O ATOM 1490 CB TYR A 99 11.106 -6.609 -5.282 1.00 0.00 C ATOM 1491 CG TYR A 99 10.329 -5.938 -6.361 1.00 0.00 C ATOM 1492 CD1 TYR A 99 8.959 -6.026 -6.284 1.00 0.00 C ATOM 1493 CD2 TYR A 99 10.919 -5.152 -7.323 1.00 0.00 C ATOM 1494 CE1 TYR A 99 8.132 -5.344 -7.146 1.00 0.00 C ATOM 1495 CE2 TYR A 99 10.087 -4.396 -8.116 1.00 0.00 C ATOM 1496 CZ TYR A 99 8.721 -4.551 -8.102 1.00 0.00 C ATOM 1497 OH TYR A 99 7.887 -3.788 -8.946 1.00 0.00 O ATOM 0 H TYR A 99 12.549 -4.462 -5.035 1.00 0.00 H new ATOM 0 HA TYR A 99 10.222 -5.500 -3.641 1.00 0.00 H new ATOM 0 HB2 TYR A 99 12.102 -6.865 -5.643 1.00 0.00 H new ATOM 0 HB3 TYR A 99 10.620 -7.542 -4.998 1.00 0.00 H new ATOM 0 HD1 TYR A 99 8.518 -6.651 -5.522 1.00 0.00 H new ATOM 0 HD2 TYR A 99 11.991 -5.129 -7.451 1.00 0.00 H new ATOM 0 HE1 TYR A 99 7.058 -5.429 -7.074 1.00 0.00 H new ATOM 0 HE2 TYR A 99 10.522 -3.656 -8.772 1.00 0.00 H new ATOM 0 HH TYR A 99 8.438 -3.274 -9.573 1.00 0.00 H new ATOM 1507 N ILE A 100 11.502 -7.324 -2.269 1.00 0.00 N ATOM 1508 CA ILE A 100 12.298 -8.271 -1.552 1.00 0.00 C ATOM 1509 C ILE A 100 12.306 -9.566 -2.289 1.00 0.00 C ATOM 1510 O ILE A 100 11.232 -10.137 -2.471 1.00 0.00 O ATOM 1511 CB ILE A 100 11.865 -8.506 -0.136 1.00 0.00 C ATOM 1512 CG1 ILE A 100 11.352 -7.251 0.590 1.00 0.00 C ATOM 1513 CG2 ILE A 100 13.052 -9.060 0.671 1.00 0.00 C ATOM 1514 CD1 ILE A 100 10.881 -7.582 2.005 1.00 0.00 C ATOM 0 H ILE A 100 10.498 -7.473 -2.171 1.00 0.00 H new ATOM 0 HA ILE A 100 13.297 -7.839 -1.491 1.00 0.00 H new ATOM 0 HB ILE A 100 11.033 -9.208 -0.196 1.00 0.00 H new ATOM 0 HG12 ILE A 100 12.145 -6.504 0.634 1.00 0.00 H new ATOM 0 HG13 ILE A 100 10.530 -6.811 0.024 1.00 0.00 H new ATOM 0 HG21 ILE A 100 12.742 -9.233 1.702 1.00 0.00 H new ATOM 0 HG22 ILE A 100 13.385 -10.000 0.230 1.00 0.00 H new ATOM 0 HG23 ILE A 100 13.871 -8.341 0.654 1.00 0.00 H new ATOM 0 HD11 ILE A 100 10.525 -6.674 2.492 1.00 0.00 H new ATOM 0 HD12 ILE A 100 10.071 -8.310 1.958 1.00 0.00 H new ATOM 0 HD13 ILE A 100 11.711 -7.998 2.577 1.00 0.00 H new ATOM 1526 N SER A 101 13.466 -10.087 -2.729 1.00 0.00 N ATOM 1527 CA SER A 101 13.493 -11.406 -3.280 1.00 0.00 C ATOM 1528 C SER A 101 13.275 -12.420 -2.211 1.00 0.00 C ATOM 1529 O SER A 101 13.318 -12.150 -1.011 1.00 0.00 O ATOM 1530 CB SER A 101 14.823 -11.677 -4.005 1.00 0.00 C ATOM 1531 OG SER A 101 15.972 -11.742 -3.173 1.00 0.00 O ATOM 0 H SER A 101 14.366 -9.608 -2.705 1.00 0.00 H new ATOM 0 HA SER A 101 12.686 -11.482 -4.009 1.00 0.00 H new ATOM 0 HB2 SER A 101 14.735 -12.618 -4.548 1.00 0.00 H new ATOM 0 HB3 SER A 101 14.978 -10.894 -4.748 1.00 0.00 H new ATOM 0 HG SER A 101 16.215 -10.839 -2.880 1.00 0.00 H new ATOM 1537 N ALA A 102 12.840 -13.645 -2.556 1.00 0.00 N ATOM 1538 CA ALA A 102 12.652 -14.671 -1.577 1.00 0.00 C ATOM 1539 C ALA A 102 13.908 -15.072 -0.884 1.00 0.00 C ATOM 1540 O ALA A 102 14.003 -15.432 0.288 1.00 0.00 O ATOM 1541 CB ALA A 102 12.103 -15.914 -2.297 1.00 0.00 C ATOM 0 H ALA A 102 12.619 -13.925 -3.511 1.00 0.00 H new ATOM 0 HA ALA A 102 11.973 -14.275 -0.822 1.00 0.00 H new ATOM 0 HB1 ALA A 102 11.949 -16.715 -1.574 1.00 0.00 H new ATOM 0 HB2 ALA A 102 11.154 -15.669 -2.774 1.00 0.00 H new ATOM 0 HB3 ALA A 102 12.816 -16.241 -3.054 1.00 0.00 H new ATOM 1547 N ALA A 103 15.026 -14.989 -1.627 1.00 0.00 N ATOM 1548 CA ALA A 103 16.309 -15.173 -1.023 1.00 0.00 C ATOM 1549 C ALA A 103 16.650 -14.209 0.060 1.00 0.00 C ATOM 1550 O ALA A 103 17.195 -14.677 1.058 1.00 0.00 O ATOM 1551 CB ALA A 103 17.379 -14.978 -2.111 1.00 0.00 C ATOM 0 H ALA A 103 15.044 -14.798 -2.629 1.00 0.00 H new ATOM 0 HA ALA A 103 16.279 -16.168 -0.579 1.00 0.00 H new ATOM 0 HB1 ALA A 103 18.369 -15.113 -1.676 1.00 0.00 H new ATOM 0 HB2 ALA A 103 17.228 -15.710 -2.905 1.00 0.00 H new ATOM 0 HB3 ALA A 103 17.299 -13.973 -2.524 1.00 0.00 H new ATOM 1557 N GLU A 104 16.550 -12.884 -0.148 1.00 0.00 N ATOM 1558 CA GLU A 104 16.627 -11.850 0.836 1.00 0.00 C ATOM 1559 C GLU A 104 15.699 -12.052 1.985 1.00 0.00 C ATOM 1560 O GLU A 104 16.007 -11.914 3.167 1.00 0.00 O ATOM 1561 CB GLU A 104 16.460 -10.495 0.127 1.00 0.00 C ATOM 1562 CG GLU A 104 17.639 -10.097 -0.763 1.00 0.00 C ATOM 1563 CD GLU A 104 17.159 -8.897 -1.567 1.00 0.00 C ATOM 1564 OE1 GLU A 104 16.047 -8.859 -2.159 1.00 0.00 O ATOM 1565 OE2 GLU A 104 17.870 -7.862 -1.669 1.00 0.00 O ATOM 0 H GLU A 104 16.403 -12.506 -1.084 1.00 0.00 H new ATOM 0 HA GLU A 104 17.609 -11.877 1.309 1.00 0.00 H new ATOM 0 HB2 GLU A 104 15.556 -10.526 -0.481 1.00 0.00 H new ATOM 0 HB3 GLU A 104 16.311 -9.721 0.880 1.00 0.00 H new ATOM 0 HG2 GLU A 104 18.514 -9.843 -0.164 1.00 0.00 H new ATOM 0 HG3 GLU A 104 17.929 -10.918 -1.419 1.00 0.00 H new ATOM 1572 N LEU A 105 14.436 -12.364 1.643 1.00 0.00 N ATOM 1573 CA LEU A 105 13.440 -12.653 2.628 1.00 0.00 C ATOM 1574 C LEU A 105 13.615 -13.867 3.473 1.00 0.00 C ATOM 1575 O LEU A 105 13.235 -13.930 4.642 1.00 0.00 O ATOM 1576 CB LEU A 105 12.081 -12.677 1.909 1.00 0.00 C ATOM 1577 CG LEU A 105 10.877 -12.800 2.858 1.00 0.00 C ATOM 1578 CD1 LEU A 105 9.756 -11.769 2.646 1.00 0.00 C ATOM 1579 CD2 LEU A 105 10.214 -14.184 2.747 1.00 0.00 C ATOM 0 H LEU A 105 14.104 -12.416 0.680 1.00 0.00 H new ATOM 0 HA LEU A 105 13.528 -11.860 3.371 1.00 0.00 H new ATOM 0 HB2 LEU A 105 11.976 -11.765 1.321 1.00 0.00 H new ATOM 0 HB3 LEU A 105 12.066 -13.512 1.209 1.00 0.00 H new ATOM 0 HG LEU A 105 11.323 -12.624 3.837 1.00 0.00 H new ATOM 0 HD11 LEU A 105 8.958 -11.946 3.367 1.00 0.00 H new ATOM 0 HD12 LEU A 105 10.155 -10.764 2.786 1.00 0.00 H new ATOM 0 HD13 LEU A 105 9.360 -11.865 1.635 1.00 0.00 H new ATOM 0 HD21 LEU A 105 9.367 -14.237 3.431 1.00 0.00 H new ATOM 0 HD22 LEU A 105 9.867 -14.340 1.726 1.00 0.00 H new ATOM 0 HD23 LEU A 105 10.938 -14.956 3.006 1.00 0.00 H new ATOM 1591 N ARG A 106 14.276 -14.935 2.993 1.00 0.00 N ATOM 1592 CA ARG A 106 14.646 -16.101 3.734 1.00 0.00 C ATOM 1593 C ARG A 106 15.730 -15.787 4.707 1.00 0.00 C ATOM 1594 O ARG A 106 15.562 -16.089 5.888 1.00 0.00 O ATOM 1595 CB ARG A 106 15.034 -17.205 2.737 1.00 0.00 C ATOM 1596 CG ARG A 106 15.768 -18.367 3.410 1.00 0.00 C ATOM 1597 CD ARG A 106 16.151 -19.478 2.431 1.00 0.00 C ATOM 1598 NE ARG A 106 16.753 -20.585 3.226 1.00 0.00 N ATOM 1599 CZ ARG A 106 17.959 -21.128 2.889 1.00 0.00 C ATOM 1600 NH1 ARG A 106 18.490 -21.251 1.638 1.00 0.00 N ATOM 1601 NH2 ARG A 106 18.756 -21.574 3.904 1.00 0.00 N ATOM 0 H ARG A 106 14.572 -14.987 2.018 1.00 0.00 H new ATOM 0 HA ARG A 106 13.807 -16.459 4.331 1.00 0.00 H new ATOM 0 HB2 ARG A 106 14.136 -17.581 2.248 1.00 0.00 H new ATOM 0 HB3 ARG A 106 15.668 -16.781 1.958 1.00 0.00 H new ATOM 0 HG2 ARG A 106 16.669 -17.989 3.893 1.00 0.00 H new ATOM 0 HG3 ARG A 106 15.136 -18.783 4.195 1.00 0.00 H new ATOM 0 HD2 ARG A 106 15.274 -19.829 1.887 1.00 0.00 H new ATOM 0 HD3 ARG A 106 16.859 -19.109 1.690 1.00 0.00 H new ATOM 0 HE ARG A 106 16.253 -20.945 4.039 1.00 0.00 H new ATOM 0 HH11 ARG A 106 17.969 -20.916 0.828 1.00 0.00 H new ATOM 0 HH12 ARG A 106 19.408 -21.678 1.513 1.00 0.00 H new ATOM 0 HH21 ARG A 106 18.442 -21.495 4.871 1.00 0.00 H new ATOM 0 HH22 ARG A 106 19.665 -21.987 3.695 1.00 0.00 H new ATOM 1615 N HIS A 107 16.772 -15.019 4.344 1.00 0.00 N ATOM 1616 CA HIS A 107 17.875 -14.553 5.125 1.00 0.00 C ATOM 1617 C HIS A 107 17.507 -13.694 6.285 1.00 0.00 C ATOM 1618 O HIS A 107 17.846 -13.911 7.447 1.00 0.00 O ATOM 1619 CB HIS A 107 18.710 -13.616 4.236 1.00 0.00 C ATOM 1620 CG HIS A 107 19.809 -12.844 4.905 1.00 0.00 C ATOM 1621 ND1 HIS A 107 20.879 -13.425 5.555 1.00 0.00 N ATOM 1622 CD2 HIS A 107 19.862 -11.506 5.142 1.00 0.00 C ATOM 1623 CE1 HIS A 107 21.583 -12.387 6.080 1.00 0.00 C ATOM 1624 NE2 HIS A 107 20.972 -11.229 5.914 1.00 0.00 N ATOM 0 H HIS A 107 16.846 -14.686 3.383 1.00 0.00 H new ATOM 0 HA HIS A 107 18.373 -15.453 5.487 1.00 0.00 H new ATOM 0 HB2 HIS A 107 19.152 -14.211 3.437 1.00 0.00 H new ATOM 0 HB3 HIS A 107 18.033 -12.903 3.765 1.00 0.00 H new ATOM 0 HD2 HIS A 107 19.150 -10.777 4.784 1.00 0.00 H new ATOM 0 HE1 HIS A 107 22.535 -12.498 6.577 1.00 0.00 H new ATOM 0 HE2 HIS A 107 21.259 -10.321 6.279 1.00 0.00 H new ATOM 1632 N VAL A 108 16.643 -12.694 6.033 1.00 0.00 N ATOM 1633 CA VAL A 108 16.108 -11.814 7.025 1.00 0.00 C ATOM 1634 C VAL A 108 15.294 -12.508 8.063 1.00 0.00 C ATOM 1635 O VAL A 108 15.547 -12.287 9.246 1.00 0.00 O ATOM 1636 CB VAL A 108 15.369 -10.673 6.392 1.00 0.00 C ATOM 1637 CG1 VAL A 108 14.838 -9.767 7.516 1.00 0.00 C ATOM 1638 CG2 VAL A 108 16.313 -9.882 5.470 1.00 0.00 C ATOM 0 H VAL A 108 16.302 -12.490 5.094 1.00 0.00 H new ATOM 0 HA VAL A 108 16.962 -11.403 7.564 1.00 0.00 H new ATOM 0 HB VAL A 108 14.541 -11.045 5.790 1.00 0.00 H new ATOM 0 HG11 VAL A 108 14.295 -8.928 7.081 1.00 0.00 H new ATOM 0 HG12 VAL A 108 14.168 -10.339 8.158 1.00 0.00 H new ATOM 0 HG13 VAL A 108 15.674 -9.392 8.106 1.00 0.00 H new ATOM 0 HG21 VAL A 108 15.768 -9.055 5.014 1.00 0.00 H new ATOM 0 HG22 VAL A 108 17.147 -9.490 6.053 1.00 0.00 H new ATOM 0 HG23 VAL A 108 16.694 -10.540 4.689 1.00 0.00 H new ATOM 1648 N MET A 109 14.371 -13.390 7.641 1.00 0.00 N ATOM 1649 CA MET A 109 13.516 -14.035 8.589 1.00 0.00 C ATOM 1650 C MET A 109 14.128 -15.078 9.460 1.00 0.00 C ATOM 1651 O MET A 109 13.836 -15.150 10.653 1.00 0.00 O ATOM 1652 CB MET A 109 12.308 -14.567 7.800 1.00 0.00 C ATOM 1653 CG MET A 109 11.345 -13.439 7.427 1.00 0.00 C ATOM 1654 SD MET A 109 9.760 -13.874 6.651 1.00 0.00 S ATOM 1655 CE MET A 109 9.045 -12.211 6.797 1.00 0.00 C ATOM 0 H MET A 109 14.218 -13.653 6.667 1.00 0.00 H new ATOM 0 HA MET A 109 13.236 -13.288 9.332 1.00 0.00 H new ATOM 0 HB2 MET A 109 12.654 -15.066 6.895 1.00 0.00 H new ATOM 0 HB3 MET A 109 11.783 -15.314 8.395 1.00 0.00 H new ATOM 0 HG2 MET A 109 11.127 -12.876 8.334 1.00 0.00 H new ATOM 0 HG3 MET A 109 11.871 -12.764 6.752 1.00 0.00 H new ATOM 0 HE1 MET A 109 7.982 -12.291 7.023 1.00 0.00 H new ATOM 0 HE2 MET A 109 9.547 -11.668 7.598 1.00 0.00 H new ATOM 0 HE3 MET A 109 9.177 -11.674 5.857 1.00 0.00 H new ATOM 1665 N THR A 110 15.109 -15.828 8.928 1.00 0.00 N ATOM 1666 CA THR A 110 16.094 -16.509 9.710 1.00 0.00 C ATOM 1667 C THR A 110 16.865 -15.796 10.767 1.00 0.00 C ATOM 1668 O THR A 110 17.116 -16.150 11.918 1.00 0.00 O ATOM 1669 CB THR A 110 17.075 -17.274 8.873 1.00 0.00 C ATOM 1670 OG1 THR A 110 16.313 -18.023 7.939 1.00 0.00 O ATOM 1671 CG2 THR A 110 17.934 -18.341 9.573 1.00 0.00 C ATOM 0 H THR A 110 15.221 -15.965 7.923 1.00 0.00 H new ATOM 0 HA THR A 110 15.407 -17.141 10.273 1.00 0.00 H new ATOM 0 HB THR A 110 17.754 -16.511 8.492 1.00 0.00 H new ATOM 0 HG1 THR A 110 16.141 -17.476 7.144 1.00 0.00 H new ATOM 0 HG21 THR A 110 18.595 -18.811 8.845 1.00 0.00 H new ATOM 0 HG22 THR A 110 18.531 -17.872 10.355 1.00 0.00 H new ATOM 0 HG23 THR A 110 17.286 -19.097 10.016 1.00 0.00 H new ATOM 1679 N ASN A 111 17.274 -14.542 10.505 1.00 0.00 N ATOM 1680 CA ASN A 111 18.070 -13.856 11.475 1.00 0.00 C ATOM 1681 C ASN A 111 17.245 -13.227 12.544 1.00 0.00 C ATOM 1682 O ASN A 111 17.682 -13.088 13.685 1.00 0.00 O ATOM 1683 CB ASN A 111 18.967 -12.833 10.757 1.00 0.00 C ATOM 1684 CG ASN A 111 19.982 -13.615 9.936 1.00 0.00 C ATOM 1685 OD1 ASN A 111 20.264 -14.791 10.163 1.00 0.00 O ATOM 1686 ND2 ASN A 111 20.702 -12.887 9.042 1.00 0.00 N ATOM 0 H ASN A 111 17.064 -14.018 9.655 1.00 0.00 H new ATOM 0 HA ASN A 111 18.701 -14.583 11.986 1.00 0.00 H new ATOM 0 HB2 ASN A 111 18.371 -12.185 10.114 1.00 0.00 H new ATOM 0 HB3 ASN A 111 19.471 -12.191 11.479 1.00 0.00 H new ATOM 0 HD21 ASN A 111 21.487 -13.315 8.550 1.00 0.00 H new ATOM 0 HD22 ASN A 111 20.458 -11.913 8.863 1.00 0.00 H new ATOM 1693 N LEU A 112 15.987 -12.872 12.227 1.00 0.00 N ATOM 1694 CA LEU A 112 15.008 -12.195 13.020 1.00 0.00 C ATOM 1695 C LEU A 112 14.301 -13.156 13.913 1.00 0.00 C ATOM 1696 O LEU A 112 14.268 -12.942 15.123 1.00 0.00 O ATOM 1697 CB LEU A 112 14.137 -11.271 12.154 1.00 0.00 C ATOM 1698 CG LEU A 112 13.404 -10.179 12.952 1.00 0.00 C ATOM 1699 CD1 LEU A 112 14.372 -9.082 13.424 1.00 0.00 C ATOM 1700 CD2 LEU A 112 12.139 -9.593 12.301 1.00 0.00 C ATOM 0 H LEU A 112 15.615 -13.088 11.302 1.00 0.00 H new ATOM 0 HA LEU A 112 15.485 -11.503 13.714 1.00 0.00 H new ATOM 0 HB2 LEU A 112 14.765 -10.797 11.400 1.00 0.00 H new ATOM 0 HB3 LEU A 112 13.401 -11.874 11.622 1.00 0.00 H new ATOM 0 HG LEU A 112 13.014 -10.707 13.823 1.00 0.00 H new ATOM 0 HD11 LEU A 112 13.821 -8.327 13.984 1.00 0.00 H new ATOM 0 HD12 LEU A 112 15.137 -9.522 14.064 1.00 0.00 H new ATOM 0 HD13 LEU A 112 14.846 -8.618 12.559 1.00 0.00 H new ATOM 0 HD21 LEU A 112 11.711 -8.834 12.956 1.00 0.00 H new ATOM 0 HD22 LEU A 112 12.398 -9.141 11.344 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.410 -10.388 12.142 1.00 0.00 H new ATOM 1712 N GLY A 113 13.610 -14.195 13.411 1.00 0.00 N ATOM 1713 CA GLY A 113 12.617 -14.910 14.151 1.00 0.00 C ATOM 1714 C GLY A 113 12.522 -16.333 13.720 1.00 0.00 C ATOM 1715 O GLY A 113 13.283 -17.173 14.199 1.00 0.00 O ATOM 0 H GLY A 113 13.746 -14.548 12.464 1.00 0.00 H new ATOM 0 HA2 GLY A 113 12.855 -14.867 15.214 1.00 0.00 H new ATOM 0 HA3 GLY A 113 11.649 -14.426 14.022 1.00 0.00 H new ATOM 1719 N GLU A 114 11.477 -16.533 12.898 1.00 0.00 N ATOM 1720 CA GLU A 114 10.954 -17.794 12.469 1.00 0.00 C ATOM 1721 C GLU A 114 11.607 -18.163 11.182 1.00 0.00 C ATOM 1722 O GLU A 114 11.479 -17.446 10.190 1.00 0.00 O ATOM 1723 CB GLU A 114 9.421 -17.680 12.438 1.00 0.00 C ATOM 1724 CG GLU A 114 8.759 -17.428 13.794 1.00 0.00 C ATOM 1725 CD GLU A 114 7.285 -17.125 13.568 1.00 0.00 C ATOM 1726 OE1 GLU A 114 7.024 -15.932 13.257 1.00 0.00 O ATOM 1727 OE2 GLU A 114 6.483 -18.090 13.678 1.00 0.00 O ATOM 0 H GLU A 114 10.957 -15.750 12.502 1.00 0.00 H new ATOM 0 HA GLU A 114 11.179 -18.616 13.148 1.00 0.00 H new ATOM 0 HB2 GLU A 114 9.146 -16.871 11.762 1.00 0.00 H new ATOM 0 HB3 GLU A 114 9.013 -18.599 12.018 1.00 0.00 H new ATOM 0 HG2 GLU A 114 8.871 -18.301 14.437 1.00 0.00 H new ATOM 0 HG3 GLU A 114 9.243 -16.594 14.302 1.00 0.00 H new ATOM 1734 N LYS A 115 12.397 -19.251 11.221 1.00 0.00 N ATOM 1735 CA LYS A 115 13.471 -19.487 10.308 1.00 0.00 C ATOM 1736 C LYS A 115 13.040 -20.302 9.138 1.00 0.00 C ATOM 1737 O LYS A 115 12.284 -21.255 9.321 1.00 0.00 O ATOM 1738 CB LYS A 115 14.690 -20.055 11.055 1.00 0.00 C ATOM 1739 CG LYS A 115 15.031 -19.298 12.340 1.00 0.00 C ATOM 1740 CD LYS A 115 16.218 -19.928 13.071 1.00 0.00 C ATOM 1741 CE LYS A 115 16.476 -19.219 14.402 1.00 0.00 C ATOM 1742 NZ LYS A 115 17.075 -17.875 14.241 1.00 0.00 N ATOM 0 H LYS A 115 12.284 -19.992 11.913 1.00 0.00 H new ATOM 0 HA LYS A 115 13.786 -18.536 9.879 1.00 0.00 H new ATOM 0 HB2 LYS A 115 14.501 -21.100 11.299 1.00 0.00 H new ATOM 0 HB3 LYS A 115 15.554 -20.034 10.391 1.00 0.00 H new ATOM 0 HG2 LYS A 115 15.261 -18.260 12.100 1.00 0.00 H new ATOM 0 HG3 LYS A 115 14.162 -19.288 12.998 1.00 0.00 H new ATOM 0 HD2 LYS A 115 16.021 -20.985 13.249 1.00 0.00 H new ATOM 0 HD3 LYS A 115 17.108 -19.871 12.445 1.00 0.00 H new ATOM 0 HE2 LYS A 115 15.536 -19.128 14.946 1.00 0.00 H new ATOM 0 HE3 LYS A 115 17.138 -19.834 15.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 16.623 -17.212 14.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 18.094 -17.923 14.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 16.929 -17.545 13.266 1.00 0.00 H new ATOM 1756 N LEU A 116 13.403 -19.886 7.911 1.00 0.00 N ATOM 1757 CA LEU A 116 12.956 -20.462 6.681 1.00 0.00 C ATOM 1758 C LEU A 116 14.017 -21.298 6.053 1.00 0.00 C ATOM 1759 O LEU A 116 15.157 -20.866 5.889 1.00 0.00 O ATOM 1760 CB LEU A 116 12.571 -19.405 5.633 1.00 0.00 C ATOM 1761 CG LEU A 116 11.495 -18.415 6.109 1.00 0.00 C ATOM 1762 CD1 LEU A 116 11.366 -17.303 5.055 1.00 0.00 C ATOM 1763 CD2 LEU A 116 10.161 -19.113 6.426 1.00 0.00 C ATOM 0 H LEU A 116 14.044 -19.105 7.771 1.00 0.00 H new ATOM 0 HA LEU A 116 12.085 -21.057 6.954 1.00 0.00 H new ATOM 0 HB2 LEU A 116 13.464 -18.847 5.350 1.00 0.00 H new ATOM 0 HB3 LEU A 116 12.213 -19.911 4.736 1.00 0.00 H new ATOM 0 HG LEU A 116 11.796 -17.966 7.055 1.00 0.00 H new ATOM 0 HD11 LEU A 116 10.607 -16.588 5.372 1.00 0.00 H new ATOM 0 HD12 LEU A 116 12.323 -16.792 4.946 1.00 0.00 H new ATOM 0 HD13 LEU A 116 11.077 -17.740 4.099 1.00 0.00 H new ATOM 0 HD21 LEU A 116 9.433 -18.373 6.758 1.00 0.00 H new ATOM 0 HD22 LEU A 116 9.789 -19.611 5.531 1.00 0.00 H new ATOM 0 HD23 LEU A 116 10.314 -19.850 7.214 1.00 0.00 H new ATOM 1775 N THR A 117 13.611 -22.518 5.659 1.00 0.00 N ATOM 1776 CA THR A 117 14.212 -23.360 4.671 1.00 0.00 C ATOM 1777 C THR A 117 13.784 -23.074 3.272 1.00 0.00 C ATOM 1778 O THR A 117 12.695 -22.547 3.054 1.00 0.00 O ATOM 1779 CB THR A 117 14.219 -24.841 4.907 1.00 0.00 C ATOM 1780 OG1 THR A 117 12.970 -25.509 4.808 1.00 0.00 O ATOM 1781 CG2 THR A 117 14.684 -25.014 6.363 1.00 0.00 C ATOM 0 H THR A 117 12.786 -22.953 6.071 1.00 0.00 H new ATOM 0 HA THR A 117 15.250 -23.054 4.805 1.00 0.00 H new ATOM 0 HB THR A 117 14.847 -25.278 4.131 1.00 0.00 H new ATOM 0 HG1 THR A 117 13.096 -26.466 4.979 1.00 0.00 H new ATOM 0 HG21 THR A 117 14.715 -26.075 6.612 1.00 0.00 H new ATOM 0 HG22 THR A 117 15.679 -24.585 6.481 1.00 0.00 H new ATOM 0 HG23 THR A 117 13.988 -24.505 7.030 1.00 0.00 H new ATOM 1789 N ASP A 118 14.494 -23.499 2.212 1.00 0.00 N ATOM 1790 CA ASP A 118 13.964 -23.457 0.884 1.00 0.00 C ATOM 1791 C ASP A 118 12.682 -24.188 0.682 1.00 0.00 C ATOM 1792 O ASP A 118 11.867 -23.794 -0.151 1.00 0.00 O ATOM 1793 CB ASP A 118 15.088 -23.958 -0.038 1.00 0.00 C ATOM 1794 CG ASP A 118 16.372 -23.143 0.017 1.00 0.00 C ATOM 1795 OD1 ASP A 118 16.524 -21.988 -0.462 1.00 0.00 O ATOM 1796 OD2 ASP A 118 17.273 -23.700 0.701 1.00 0.00 O ATOM 0 H ASP A 118 15.441 -23.874 2.275 1.00 0.00 H new ATOM 0 HA ASP A 118 13.673 -22.433 0.650 1.00 0.00 H new ATOM 0 HB2 ASP A 118 15.319 -24.991 0.223 1.00 0.00 H new ATOM 0 HB3 ASP A 118 14.721 -23.963 -1.064 1.00 0.00 H new ATOM 1801 N GLU A 119 12.482 -25.334 1.357 1.00 0.00 N ATOM 1802 CA GLU A 119 11.234 -26.030 1.328 1.00 0.00 C ATOM 1803 C GLU A 119 10.127 -25.194 1.872 1.00 0.00 C ATOM 1804 O GLU A 119 9.072 -25.015 1.265 1.00 0.00 O ATOM 1805 CB GLU A 119 11.350 -27.327 2.148 1.00 0.00 C ATOM 1806 CG GLU A 119 12.398 -28.226 1.491 1.00 0.00 C ATOM 1807 CD GLU A 119 12.430 -29.520 2.292 1.00 0.00 C ATOM 1808 OE1 GLU A 119 11.524 -30.377 2.113 1.00 0.00 O ATOM 1809 OE2 GLU A 119 13.307 -29.649 3.188 1.00 0.00 O ATOM 0 H GLU A 119 13.196 -25.783 1.930 1.00 0.00 H new ATOM 0 HA GLU A 119 11.001 -26.262 0.289 1.00 0.00 H new ATOM 0 HB2 GLU A 119 11.636 -27.101 3.175 1.00 0.00 H new ATOM 0 HB3 GLU A 119 10.387 -27.836 2.189 1.00 0.00 H new ATOM 0 HG2 GLU A 119 12.142 -28.422 0.450 1.00 0.00 H new ATOM 0 HG3 GLU A 119 13.376 -27.745 1.493 1.00 0.00 H new ATOM 1816 N GLU A 120 10.392 -24.599 3.049 1.00 0.00 N ATOM 1817 CA GLU A 120 9.507 -23.640 3.634 1.00 0.00 C ATOM 1818 C GLU A 120 9.108 -22.560 2.689 1.00 0.00 C ATOM 1819 O GLU A 120 7.942 -22.248 2.449 1.00 0.00 O ATOM 1820 CB GLU A 120 9.931 -22.885 4.904 1.00 0.00 C ATOM 1821 CG GLU A 120 9.931 -23.676 6.213 1.00 0.00 C ATOM 1822 CD GLU A 120 8.597 -24.203 6.722 1.00 0.00 C ATOM 1823 OE1 GLU A 120 7.561 -23.650 6.264 1.00 0.00 O ATOM 1824 OE2 GLU A 120 8.557 -25.025 7.676 1.00 0.00 O ATOM 0 H GLU A 120 11.229 -24.785 3.601 1.00 0.00 H new ATOM 0 HA GLU A 120 8.712 -24.332 3.910 1.00 0.00 H new ATOM 0 HB2 GLU A 120 10.935 -22.492 4.745 1.00 0.00 H new ATOM 0 HB3 GLU A 120 9.269 -22.028 5.026 1.00 0.00 H new ATOM 0 HG2 GLU A 120 10.603 -24.526 6.091 1.00 0.00 H new ATOM 0 HG3 GLU A 120 10.358 -23.041 6.989 1.00 0.00 H new ATOM 1831 N VAL A 121 10.112 -21.849 2.145 1.00 0.00 N ATOM 1832 CA VAL A 121 9.930 -20.878 1.111 1.00 0.00 C ATOM 1833 C VAL A 121 9.173 -21.274 -0.109 1.00 0.00 C ATOM 1834 O VAL A 121 8.244 -20.577 -0.517 1.00 0.00 O ATOM 1835 CB VAL A 121 11.184 -20.147 0.733 1.00 0.00 C ATOM 1836 CG1 VAL A 121 11.009 -19.188 -0.457 1.00 0.00 C ATOM 1837 CG2 VAL A 121 11.810 -19.405 1.926 1.00 0.00 C ATOM 0 H VAL A 121 11.084 -21.954 2.435 1.00 0.00 H new ATOM 0 HA VAL A 121 9.253 -20.198 1.629 1.00 0.00 H new ATOM 0 HB VAL A 121 11.871 -20.930 0.411 1.00 0.00 H new ATOM 0 HG11 VAL A 121 11.958 -18.696 -0.671 1.00 0.00 H new ATOM 0 HG12 VAL A 121 10.686 -19.750 -1.333 1.00 0.00 H new ATOM 0 HG13 VAL A 121 10.258 -18.437 -0.211 1.00 0.00 H new ATOM 0 HG21 VAL A 121 12.715 -18.892 1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 121 11.099 -18.676 2.315 1.00 0.00 H new ATOM 0 HG23 VAL A 121 12.060 -20.121 2.709 1.00 0.00 H new ATOM 1847 N ASP A 122 9.555 -22.387 -0.759 1.00 0.00 N ATOM 1848 CA ASP A 122 8.827 -22.943 -1.858 1.00 0.00 C ATOM 1849 C ASP A 122 7.398 -23.211 -1.530 1.00 0.00 C ATOM 1850 O ASP A 122 6.485 -22.630 -2.114 1.00 0.00 O ATOM 1851 CB ASP A 122 9.427 -24.256 -2.386 1.00 0.00 C ATOM 1852 CG ASP A 122 10.411 -23.970 -3.511 1.00 0.00 C ATOM 1853 OD1 ASP A 122 10.123 -23.210 -4.474 1.00 0.00 O ATOM 1854 OD2 ASP A 122 11.501 -24.601 -3.480 1.00 0.00 O ATOM 0 H ASP A 122 10.393 -22.915 -0.514 1.00 0.00 H new ATOM 0 HA ASP A 122 8.898 -22.173 -2.627 1.00 0.00 H new ATOM 0 HB2 ASP A 122 9.932 -24.785 -1.577 1.00 0.00 H new ATOM 0 HB3 ASP A 122 8.632 -24.909 -2.746 1.00 0.00 H new ATOM 1859 N GLU A 123 7.063 -24.054 -0.538 1.00 0.00 N ATOM 1860 CA GLU A 123 5.776 -24.179 0.074 1.00 0.00 C ATOM 1861 C GLU A 123 5.030 -22.957 0.485 1.00 0.00 C ATOM 1862 O GLU A 123 3.804 -22.876 0.436 1.00 0.00 O ATOM 1863 CB GLU A 123 5.847 -25.022 1.360 1.00 0.00 C ATOM 1864 CG GLU A 123 4.505 -25.620 1.785 1.00 0.00 C ATOM 1865 CD GLU A 123 3.940 -26.541 0.713 1.00 0.00 C ATOM 1866 OE1 GLU A 123 4.455 -27.652 0.414 1.00 0.00 O ATOM 1867 OE2 GLU A 123 2.801 -26.246 0.262 1.00 0.00 O ATOM 0 H GLU A 123 7.744 -24.697 -0.134 1.00 0.00 H new ATOM 0 HA GLU A 123 5.232 -24.619 -0.762 1.00 0.00 H new ATOM 0 HB2 GLU A 123 6.564 -25.830 1.214 1.00 0.00 H new ATOM 0 HB3 GLU A 123 6.229 -24.400 2.170 1.00 0.00 H new ATOM 0 HG2 GLU A 123 4.631 -26.176 2.714 1.00 0.00 H new ATOM 0 HG3 GLU A 123 3.796 -24.818 1.987 1.00 0.00 H new ATOM 1874 N MET A 124 5.682 -21.824 0.802 1.00 0.00 N ATOM 1875 CA MET A 124 5.126 -20.532 1.057 1.00 0.00 C ATOM 1876 C MET A 124 4.569 -19.927 -0.185 1.00 0.00 C ATOM 1877 O MET A 124 3.363 -19.829 -0.407 1.00 0.00 O ATOM 1878 CB MET A 124 6.049 -19.528 1.769 1.00 0.00 C ATOM 1879 CG MET A 124 5.542 -18.115 2.063 1.00 0.00 C ATOM 1880 SD MET A 124 6.931 -16.943 2.077 1.00 0.00 S ATOM 1881 CE MET A 124 7.803 -17.481 3.577 1.00 0.00 C ATOM 0 H MET A 124 6.698 -21.815 0.887 1.00 0.00 H new ATOM 0 HA MET A 124 4.327 -20.733 1.771 1.00 0.00 H new ATOM 0 HB2 MET A 124 6.344 -19.973 2.719 1.00 0.00 H new ATOM 0 HB3 MET A 124 6.953 -19.432 1.167 1.00 0.00 H new ATOM 0 HG2 MET A 124 4.813 -17.818 1.309 1.00 0.00 H new ATOM 0 HG3 MET A 124 5.031 -18.097 3.026 1.00 0.00 H new ATOM 0 HE1 MET A 124 8.675 -16.847 3.738 1.00 0.00 H new ATOM 0 HE2 MET A 124 7.134 -17.403 4.434 1.00 0.00 H new ATOM 0 HE3 MET A 124 8.124 -18.516 3.460 1.00 0.00 H new ATOM 1891 N ILE A 125 5.492 -19.510 -1.070 1.00 0.00 N ATOM 1892 CA ILE A 125 5.326 -19.133 -2.440 1.00 0.00 C ATOM 1893 C ILE A 125 4.270 -19.843 -3.215 1.00 0.00 C ATOM 1894 O ILE A 125 3.412 -19.237 -3.855 1.00 0.00 O ATOM 1895 CB ILE A 125 6.643 -19.378 -3.115 1.00 0.00 C ATOM 1896 CG1 ILE A 125 7.689 -18.268 -2.918 1.00 0.00 C ATOM 1897 CG2 ILE A 125 6.622 -19.944 -4.545 1.00 0.00 C ATOM 1898 CD1 ILE A 125 9.120 -18.727 -3.192 1.00 0.00 C ATOM 0 H ILE A 125 6.469 -19.429 -0.788 1.00 0.00 H new ATOM 0 HA ILE A 125 4.998 -18.094 -2.426 1.00 0.00 H new ATOM 0 HB ILE A 125 6.992 -20.232 -2.534 1.00 0.00 H new ATOM 0 HG12 ILE A 125 7.451 -17.433 -3.577 1.00 0.00 H new ATOM 0 HG13 ILE A 125 7.624 -17.895 -1.896 1.00 0.00 H new ATOM 0 HG21 ILE A 125 7.644 -20.068 -4.902 1.00 0.00 H new ATOM 0 HG22 ILE A 125 6.117 -20.910 -4.547 1.00 0.00 H new ATOM 0 HG23 ILE A 125 6.090 -19.255 -5.201 1.00 0.00 H new ATOM 0 HD11 ILE A 125 9.806 -17.895 -3.034 1.00 0.00 H new ATOM 0 HD12 ILE A 125 9.377 -19.542 -2.515 1.00 0.00 H new ATOM 0 HD13 ILE A 125 9.200 -19.073 -4.223 1.00 0.00 H new ATOM 1910 N ARG A 126 4.147 -21.167 -3.011 1.00 0.00 N ATOM 1911 CA ARG A 126 3.252 -22.056 -3.684 1.00 0.00 C ATOM 1912 C ARG A 126 1.832 -21.607 -3.629 1.00 0.00 C ATOM 1913 O ARG A 126 1.059 -21.454 -4.573 1.00 0.00 O ATOM 1914 CB ARG A 126 3.217 -23.502 -3.161 1.00 0.00 C ATOM 1915 CG ARG A 126 2.835 -24.549 -4.209 1.00 0.00 C ATOM 1916 CD ARG A 126 2.459 -25.867 -3.529 1.00 0.00 C ATOM 1917 NE ARG A 126 3.517 -26.330 -2.587 1.00 0.00 N ATOM 1918 CZ ARG A 126 4.748 -26.846 -2.872 1.00 0.00 C ATOM 1919 NH1 ARG A 126 5.282 -26.847 -4.129 1.00 0.00 N ATOM 1920 NH2 ARG A 126 5.552 -27.346 -1.889 1.00 0.00 N ATOM 0 H ARG A 126 4.720 -21.652 -2.320 1.00 0.00 H new ATOM 0 HA ARG A 126 3.668 -22.036 -4.691 1.00 0.00 H new ATOM 0 HB2 ARG A 126 4.198 -23.752 -2.757 1.00 0.00 H new ATOM 0 HB3 ARG A 126 2.508 -23.559 -2.335 1.00 0.00 H new ATOM 0 HG2 ARG A 126 1.997 -24.188 -4.806 1.00 0.00 H new ATOM 0 HG3 ARG A 126 3.668 -24.709 -4.893 1.00 0.00 H new ATOM 0 HD2 ARG A 126 1.521 -25.741 -2.988 1.00 0.00 H new ATOM 0 HD3 ARG A 126 2.289 -26.631 -4.288 1.00 0.00 H new ATOM 0 HE ARG A 126 3.291 -26.251 -1.596 1.00 0.00 H new ATOM 0 HH11 ARG A 126 4.756 -26.449 -4.907 1.00 0.00 H new ATOM 0 HH12 ARG A 126 6.207 -27.245 -4.290 1.00 0.00 H new ATOM 0 HH21 ARG A 126 5.236 -27.339 -0.919 1.00 0.00 H new ATOM 0 HH22 ARG A 126 6.468 -27.727 -2.124 1.00 0.00 H new ATOM 1934 N GLU A 127 1.384 -21.280 -2.404 1.00 0.00 N ATOM 1935 CA GLU A 127 0.070 -20.739 -2.244 1.00 0.00 C ATOM 1936 C GLU A 127 -0.022 -19.269 -2.469 1.00 0.00 C ATOM 1937 O GLU A 127 -0.993 -18.832 -3.085 1.00 0.00 O ATOM 1938 CB GLU A 127 -0.540 -21.179 -0.902 1.00 0.00 C ATOM 1939 CG GLU A 127 -2.031 -20.887 -0.721 1.00 0.00 C ATOM 1940 CD GLU A 127 -2.911 -21.671 -1.683 1.00 0.00 C ATOM 1941 OE1 GLU A 127 -2.798 -22.918 -1.823 1.00 0.00 O ATOM 1942 OE2 GLU A 127 -3.795 -21.017 -2.300 1.00 0.00 O ATOM 0 H GLU A 127 1.918 -21.387 -1.541 1.00 0.00 H new ATOM 0 HA GLU A 127 -0.536 -21.163 -3.045 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -0.382 -22.251 -0.787 1.00 0.00 H new ATOM 0 HB3 GLU A 127 0.007 -20.688 -0.097 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -2.320 -21.124 0.303 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -2.207 -19.821 -0.863 1.00 0.00 H new ATOM 1949 N ALA A 128 0.998 -18.504 -2.041 1.00 0.00 N ATOM 1950 CA ALA A 128 0.853 -17.102 -1.800 1.00 0.00 C ATOM 1951 C ALA A 128 1.372 -16.075 -2.747 1.00 0.00 C ATOM 1952 O ALA A 128 1.135 -14.875 -2.610 1.00 0.00 O ATOM 1953 CB ALA A 128 1.338 -16.892 -0.356 1.00 0.00 C ATOM 0 H ALA A 128 1.935 -18.863 -1.860 1.00 0.00 H new ATOM 0 HA ALA A 128 -0.200 -16.889 -1.986 1.00 0.00 H new ATOM 0 HB1 ALA A 128 1.258 -15.837 -0.095 1.00 0.00 H new ATOM 0 HB2 ALA A 128 0.723 -17.482 0.324 1.00 0.00 H new ATOM 0 HB3 ALA A 128 2.378 -17.208 -0.272 1.00 0.00 H new ATOM 1959 N ASP A 129 2.044 -16.495 -3.833 1.00 0.00 N ATOM 1960 CA ASP A 129 2.500 -15.538 -4.793 1.00 0.00 C ATOM 1961 C ASP A 129 1.637 -15.637 -6.005 1.00 0.00 C ATOM 1962 O ASP A 129 1.810 -16.500 -6.864 1.00 0.00 O ATOM 1963 CB ASP A 129 3.968 -15.763 -5.190 1.00 0.00 C ATOM 1964 CG ASP A 129 4.514 -14.429 -5.677 1.00 0.00 C ATOM 1965 OD1 ASP A 129 3.931 -13.861 -6.638 1.00 0.00 O ATOM 1966 OD2 ASP A 129 5.528 -13.912 -5.135 1.00 0.00 O ATOM 0 H ASP A 129 2.267 -17.468 -4.044 1.00 0.00 H new ATOM 0 HA ASP A 129 2.436 -14.547 -4.344 1.00 0.00 H new ATOM 0 HB2 ASP A 129 4.545 -16.127 -4.340 1.00 0.00 H new ATOM 0 HB3 ASP A 129 4.043 -16.518 -5.973 1.00 0.00 H new ATOM 1971 N ILE A 130 0.850 -14.567 -6.218 1.00 0.00 N ATOM 1972 CA ILE A 130 0.127 -14.370 -7.436 1.00 0.00 C ATOM 1973 C ILE A 130 0.814 -14.158 -8.741 1.00 0.00 C ATOM 1974 O ILE A 130 0.292 -14.548 -9.785 1.00 0.00 O ATOM 1975 CB ILE A 130 -0.956 -13.372 -7.152 1.00 0.00 C ATOM 1976 CG1 ILE A 130 -2.298 -13.868 -7.717 1.00 0.00 C ATOM 1977 CG2 ILE A 130 -0.602 -11.940 -7.588 1.00 0.00 C ATOM 1978 CD1 ILE A 130 -3.543 -13.528 -6.899 1.00 0.00 C ATOM 0 H ILE A 130 0.713 -13.825 -5.532 1.00 0.00 H new ATOM 0 HA ILE A 130 -0.237 -15.367 -7.682 1.00 0.00 H new ATOM 0 HB ILE A 130 -1.059 -13.299 -6.069 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -2.422 -13.454 -8.718 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -2.245 -14.951 -7.825 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -1.431 -11.272 -7.352 1.00 0.00 H new ATOM 0 HG22 ILE A 130 0.292 -11.609 -7.060 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -0.416 -11.922 -8.662 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -4.426 -13.929 -7.396 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -3.456 -13.966 -5.905 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -3.636 -12.446 -6.811 1.00 0.00 H new ATOM 1990 N ASP A 131 1.945 -13.431 -8.732 1.00 0.00 N ATOM 1991 CA ASP A 131 2.699 -13.164 -9.917 1.00 0.00 C ATOM 1992 C ASP A 131 3.358 -14.360 -10.514 1.00 0.00 C ATOM 1993 O ASP A 131 3.554 -14.451 -11.725 1.00 0.00 O ATOM 1994 CB ASP A 131 3.761 -12.079 -9.670 1.00 0.00 C ATOM 1995 CG ASP A 131 3.323 -10.910 -8.799 1.00 0.00 C ATOM 1996 OD1 ASP A 131 3.370 -11.013 -7.545 1.00 0.00 O ATOM 1997 OD2 ASP A 131 3.175 -9.824 -9.421 1.00 0.00 O ATOM 0 H ASP A 131 2.343 -13.021 -7.887 1.00 0.00 H new ATOM 0 HA ASP A 131 1.958 -12.817 -10.637 1.00 0.00 H new ATOM 0 HB2 ASP A 131 4.630 -12.547 -9.208 1.00 0.00 H new ATOM 0 HB3 ASP A 131 4.085 -11.688 -10.634 1.00 0.00 H new ATOM 2002 N GLY A 132 3.605 -15.363 -9.653 1.00 0.00 N ATOM 2003 CA GLY A 132 4.355 -16.519 -10.033 1.00 0.00 C ATOM 2004 C GLY A 132 5.783 -16.169 -10.274 1.00 0.00 C ATOM 2005 O GLY A 132 6.514 -16.975 -10.847 1.00 0.00 O ATOM 0 H GLY A 132 3.282 -15.372 -8.686 1.00 0.00 H new ATOM 0 HA2 GLY A 132 4.288 -17.274 -9.250 1.00 0.00 H new ATOM 0 HA3 GLY A 132 3.926 -16.956 -10.935 1.00 0.00 H new ATOM 2009 N ASP A 133 6.247 -14.985 -9.835 1.00 0.00 N ATOM 2010 CA ASP A 133 7.576 -14.479 -9.984 1.00 0.00 C ATOM 2011 C ASP A 133 8.488 -15.173 -9.032 1.00 0.00 C ATOM 2012 O ASP A 133 9.514 -15.720 -9.434 1.00 0.00 O ATOM 2013 CB ASP A 133 7.522 -12.944 -10.059 1.00 0.00 C ATOM 2014 CG ASP A 133 7.572 -12.194 -8.735 1.00 0.00 C ATOM 2015 OD1 ASP A 133 6.736 -12.540 -7.858 1.00 0.00 O ATOM 2016 OD2 ASP A 133 8.383 -11.249 -8.544 1.00 0.00 O ATOM 0 H ASP A 133 5.643 -14.331 -9.337 1.00 0.00 H new ATOM 0 HA ASP A 133 8.057 -14.723 -10.931 1.00 0.00 H new ATOM 0 HB2 ASP A 133 8.354 -12.604 -10.675 1.00 0.00 H new ATOM 0 HB3 ASP A 133 6.606 -12.660 -10.577 1.00 0.00 H new ATOM 2021 N GLY A 134 8.157 -15.114 -7.729 1.00 0.00 N ATOM 2022 CA GLY A 134 9.122 -15.478 -6.739 1.00 0.00 C ATOM 2023 C GLY A 134 9.359 -14.471 -5.667 1.00 0.00 C ATOM 2024 O GLY A 134 9.614 -14.762 -4.500 1.00 0.00 O ATOM 0 H GLY A 134 7.248 -14.823 -7.368 1.00 0.00 H new ATOM 0 HA2 GLY A 134 8.803 -16.410 -6.272 1.00 0.00 H new ATOM 0 HA3 GLY A 134 10.070 -15.680 -7.239 1.00 0.00 H new ATOM 2028 N GLN A 135 9.438 -13.189 -6.066 1.00 0.00 N ATOM 2029 CA GLN A 135 9.725 -12.104 -5.179 1.00 0.00 C ATOM 2030 C GLN A 135 8.541 -11.592 -4.433 1.00 0.00 C ATOM 2031 O GLN A 135 7.388 -11.600 -4.860 1.00 0.00 O ATOM 2032 CB GLN A 135 10.144 -10.819 -5.914 1.00 0.00 C ATOM 2033 CG GLN A 135 11.363 -11.112 -6.791 1.00 0.00 C ATOM 2034 CD GLN A 135 12.145 -9.815 -6.941 1.00 0.00 C ATOM 2035 OE1 GLN A 135 13.101 -9.402 -6.287 1.00 0.00 O ATOM 2036 NE2 GLN A 135 11.695 -9.011 -7.941 1.00 0.00 N ATOM 0 H GLN A 135 9.298 -12.898 -7.034 1.00 0.00 H new ATOM 0 HA GLN A 135 10.492 -12.550 -4.546 1.00 0.00 H new ATOM 0 HB2 GLN A 135 9.321 -10.452 -6.527 1.00 0.00 H new ATOM 0 HB3 GLN A 135 10.380 -10.035 -5.194 1.00 0.00 H new ATOM 0 HG2 GLN A 135 11.985 -11.884 -6.337 1.00 0.00 H new ATOM 0 HG3 GLN A 135 11.052 -11.486 -7.766 1.00 0.00 H new ATOM 0 HE21 GLN A 135 10.905 -9.305 -8.515 1.00 0.00 H new ATOM 0 HE22 GLN A 135 12.148 -8.114 -8.117 1.00 0.00 H new ATOM 2045 N VAL A 136 8.712 -10.914 -3.284 1.00 0.00 N ATOM 2046 CA VAL A 136 7.775 -10.195 -2.478 1.00 0.00 C ATOM 2047 C VAL A 136 7.826 -8.751 -2.843 1.00 0.00 C ATOM 2048 O VAL A 136 8.860 -8.086 -2.787 1.00 0.00 O ATOM 2049 CB VAL A 136 8.116 -10.365 -1.027 1.00 0.00 C ATOM 2050 CG1 VAL A 136 7.503 -9.285 -0.120 1.00 0.00 C ATOM 2051 CG2 VAL A 136 7.430 -11.663 -0.567 1.00 0.00 C ATOM 0 H VAL A 136 9.641 -10.867 -2.866 1.00 0.00 H new ATOM 0 HA VAL A 136 6.771 -10.581 -2.652 1.00 0.00 H new ATOM 0 HB VAL A 136 9.203 -10.337 -0.947 1.00 0.00 H new ATOM 0 HG11 VAL A 136 7.792 -9.472 0.914 1.00 0.00 H new ATOM 0 HG12 VAL A 136 7.866 -8.304 -0.426 1.00 0.00 H new ATOM 0 HG13 VAL A 136 6.417 -9.313 -0.204 1.00 0.00 H new ATOM 0 HG21 VAL A 136 7.647 -11.835 0.487 1.00 0.00 H new ATOM 0 HG22 VAL A 136 6.353 -11.574 -0.706 1.00 0.00 H new ATOM 0 HG23 VAL A 136 7.804 -12.501 -1.156 1.00 0.00 H new ATOM 2061 N ASN A 137 6.661 -8.191 -3.214 1.00 0.00 N ATOM 2062 CA ASN A 137 6.419 -6.794 -3.394 1.00 0.00 C ATOM 2063 C ASN A 137 5.897 -6.192 -2.135 1.00 0.00 C ATOM 2064 O ASN A 137 5.692 -6.743 -1.055 1.00 0.00 O ATOM 2065 CB ASN A 137 5.588 -6.484 -4.651 1.00 0.00 C ATOM 2066 CG ASN A 137 4.111 -6.850 -4.612 1.00 0.00 C ATOM 2067 OD1 ASN A 137 3.383 -6.391 -3.733 1.00 0.00 O ATOM 2068 ND2 ASN A 137 3.620 -7.612 -5.626 1.00 0.00 N ATOM 0 H ASN A 137 5.832 -8.755 -3.401 1.00 0.00 H new ATOM 0 HA ASN A 137 7.371 -6.303 -3.597 1.00 0.00 H new ATOM 0 HB2 ASN A 137 5.667 -5.416 -4.854 1.00 0.00 H new ATOM 0 HB3 ASN A 137 6.043 -7.003 -5.494 1.00 0.00 H new ATOM 0 HD21 ASN A 137 2.622 -7.817 -5.672 1.00 0.00 H new ATOM 0 HD22 ASN A 137 4.250 -7.978 -6.340 1.00 0.00 H new ATOM 2075 N TYR A 138 5.777 -4.852 -2.120 1.00 0.00 N ATOM 2076 CA TYR A 138 5.346 -4.111 -0.976 1.00 0.00 C ATOM 2077 C TYR A 138 4.076 -4.637 -0.400 1.00 0.00 C ATOM 2078 O TYR A 138 4.008 -5.003 0.772 1.00 0.00 O ATOM 2079 CB TYR A 138 5.215 -2.609 -1.280 1.00 0.00 C ATOM 2080 CG TYR A 138 4.737 -1.812 -0.115 1.00 0.00 C ATOM 2081 CD1 TYR A 138 5.333 -1.983 1.112 1.00 0.00 C ATOM 2082 CD2 TYR A 138 3.599 -1.041 -0.168 1.00 0.00 C ATOM 2083 CE1 TYR A 138 4.819 -1.350 2.218 1.00 0.00 C ATOM 2084 CE2 TYR A 138 3.016 -0.446 0.926 1.00 0.00 C ATOM 2085 CZ TYR A 138 3.617 -0.687 2.139 1.00 0.00 C ATOM 2086 OH TYR A 138 2.996 -0.207 3.312 1.00 0.00 O ATOM 0 H TYR A 138 5.986 -4.267 -2.929 1.00 0.00 H new ATOM 0 HA TYR A 138 6.126 -4.240 -0.226 1.00 0.00 H new ATOM 0 HB2 TYR A 138 6.183 -2.225 -1.602 1.00 0.00 H new ATOM 0 HB3 TYR A 138 4.525 -2.473 -2.113 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.204 -2.614 1.207 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.133 -0.893 -1.131 1.00 0.00 H new ATOM 0 HE1 TYR A 138 5.361 -1.373 3.152 1.00 0.00 H new ATOM 0 HE2 TYR A 138 2.137 0.175 0.838 1.00 0.00 H new ATOM 0 HH TYR A 138 2.155 0.238 3.078 1.00 0.00 H new ATOM 2096 N GLU A 139 3.004 -4.801 -1.195 1.00 0.00 N ATOM 2097 CA GLU A 139 1.706 -5.251 -0.800 1.00 0.00 C ATOM 2098 C GLU A 139 1.707 -6.684 -0.392 1.00 0.00 C ATOM 2099 O GLU A 139 0.838 -7.123 0.359 1.00 0.00 O ATOM 2100 CB GLU A 139 0.665 -4.990 -1.902 1.00 0.00 C ATOM 2101 CG GLU A 139 0.327 -3.517 -2.139 1.00 0.00 C ATOM 2102 CD GLU A 139 -0.153 -3.293 -3.566 1.00 0.00 C ATOM 2103 OE1 GLU A 139 0.393 -3.867 -4.546 1.00 0.00 O ATOM 2104 OE2 GLU A 139 -1.094 -2.473 -3.734 1.00 0.00 O ATOM 0 H GLU A 139 3.051 -4.602 -2.194 1.00 0.00 H new ATOM 0 HA GLU A 139 1.423 -4.669 0.077 1.00 0.00 H new ATOM 0 HB2 GLU A 139 1.032 -5.417 -2.835 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -0.252 -5.521 -1.647 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -0.444 -3.199 -1.437 1.00 0.00 H new ATOM 0 HG3 GLU A 139 1.206 -2.902 -1.946 1.00 0.00 H new ATOM 2111 N GLU A 140 2.538 -7.548 -1.002 1.00 0.00 N ATOM 2112 CA GLU A 140 2.735 -8.853 -0.453 1.00 0.00 C ATOM 2113 C GLU A 140 3.341 -8.919 0.907 1.00 0.00 C ATOM 2114 O GLU A 140 2.913 -9.762 1.694 1.00 0.00 O ATOM 2115 CB GLU A 140 3.370 -9.832 -1.454 1.00 0.00 C ATOM 2116 CG GLU A 140 2.809 -9.766 -2.875 1.00 0.00 C ATOM 2117 CD GLU A 140 3.648 -10.561 -3.867 1.00 0.00 C ATOM 2118 OE1 GLU A 140 4.804 -10.161 -4.170 1.00 0.00 O ATOM 2119 OE2 GLU A 140 3.237 -11.645 -4.359 1.00 0.00 O ATOM 0 H GLU A 140 3.062 -7.350 -1.855 1.00 0.00 H new ATOM 0 HA GLU A 140 1.718 -9.199 -0.270 1.00 0.00 H new ATOM 0 HB2 GLU A 140 4.442 -9.640 -1.495 1.00 0.00 H new ATOM 0 HB3 GLU A 140 3.242 -10.847 -1.077 1.00 0.00 H new ATOM 0 HG2 GLU A 140 1.788 -10.148 -2.878 1.00 0.00 H new ATOM 0 HG3 GLU A 140 2.761 -8.725 -3.196 1.00 0.00 H new ATOM 2126 N PHE A 141 4.263 -7.988 1.210 1.00 0.00 N ATOM 2127 CA PHE A 141 4.890 -7.839 2.487 1.00 0.00 C ATOM 2128 C PHE A 141 3.951 -7.402 3.558 1.00 0.00 C ATOM 2129 O PHE A 141 3.767 -8.136 4.528 1.00 0.00 O ATOM 2130 CB PHE A 141 6.218 -7.068 2.406 1.00 0.00 C ATOM 2131 CG PHE A 141 7.040 -7.258 3.634 1.00 0.00 C ATOM 2132 CD1 PHE A 141 7.621 -8.457 3.970 1.00 0.00 C ATOM 2133 CD2 PHE A 141 7.175 -6.176 4.472 1.00 0.00 C ATOM 2134 CE1 PHE A 141 8.364 -8.566 5.122 1.00 0.00 C ATOM 2135 CE2 PHE A 141 7.966 -6.315 5.588 1.00 0.00 C ATOM 2136 CZ PHE A 141 8.566 -7.495 5.960 1.00 0.00 C ATOM 0 H PHE A 141 4.588 -7.303 0.528 1.00 0.00 H new ATOM 0 HA PHE A 141 5.186 -8.836 2.814 1.00 0.00 H new ATOM 0 HB2 PHE A 141 6.781 -7.404 1.535 1.00 0.00 H new ATOM 0 HB3 PHE A 141 6.015 -6.007 2.264 1.00 0.00 H new ATOM 0 HD1 PHE A 141 7.494 -9.316 3.328 1.00 0.00 H new ATOM 0 HD2 PHE A 141 6.674 -5.243 4.259 1.00 0.00 H new ATOM 0 HE1 PHE A 141 8.801 -9.520 5.376 1.00 0.00 H new ATOM 0 HE2 PHE A 141 8.125 -5.446 6.209 1.00 0.00 H new ATOM 0 HZ PHE A 141 9.161 -7.576 6.858 1.00 0.00 H new ATOM 2146 N VAL A 142 3.246 -6.306 3.225 1.00 0.00 N ATOM 2147 CA VAL A 142 2.111 -5.865 3.974 1.00 0.00 C ATOM 2148 C VAL A 142 1.227 -7.017 4.308 1.00 0.00 C ATOM 2149 O VAL A 142 1.055 -7.236 5.506 1.00 0.00 O ATOM 2150 CB VAL A 142 1.314 -4.728 3.406 1.00 0.00 C ATOM 2151 CG1 VAL A 142 0.471 -4.092 4.525 1.00 0.00 C ATOM 2152 CG2 VAL A 142 2.069 -3.506 2.854 1.00 0.00 C ATOM 0 H VAL A 142 3.468 -5.717 2.423 1.00 0.00 H new ATOM 0 HA VAL A 142 2.550 -5.435 4.874 1.00 0.00 H new ATOM 0 HB VAL A 142 0.793 -5.222 2.585 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -0.110 -3.265 4.117 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -0.204 -4.839 4.941 1.00 0.00 H new ATOM 0 HG13 VAL A 142 1.129 -3.720 5.310 1.00 0.00 H new ATOM 0 HG21 VAL A 142 1.353 -2.774 2.481 1.00 0.00 H new ATOM 0 HG22 VAL A 142 2.666 -3.058 3.648 1.00 0.00 H new ATOM 0 HG23 VAL A 142 2.724 -3.820 2.041 1.00 0.00 H new ATOM 2162 N GLN A 143 0.686 -7.804 3.361 1.00 0.00 N ATOM 2163 CA GLN A 143 -0.203 -8.891 3.632 1.00 0.00 C ATOM 2164 C GLN A 143 0.313 -9.980 4.508 1.00 0.00 C ATOM 2165 O GLN A 143 -0.364 -10.605 5.323 1.00 0.00 O ATOM 2166 CB GLN A 143 -0.659 -9.571 2.330 1.00 0.00 C ATOM 2167 CG GLN A 143 -1.736 -8.767 1.598 1.00 0.00 C ATOM 2168 CD GLN A 143 -1.985 -9.303 0.195 1.00 0.00 C ATOM 2169 OE1 GLN A 143 -2.816 -10.184 -0.026 1.00 0.00 O ATOM 2170 NE2 GLN A 143 -1.279 -8.757 -0.830 1.00 0.00 N ATOM 0 H GLN A 143 0.875 -7.678 2.367 1.00 0.00 H new ATOM 0 HA GLN A 143 -1.010 -8.395 4.171 1.00 0.00 H new ATOM 0 HB2 GLN A 143 0.200 -9.705 1.673 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -1.044 -10.565 2.558 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -2.664 -8.798 2.169 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -1.433 -7.722 1.539 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -0.591 -8.027 -0.644 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -1.437 -9.077 -1.786 1.00 0.00 H new ATOM 2179 N MET A 144 1.633 -10.234 4.458 1.00 0.00 N ATOM 2180 CA MET A 144 2.439 -11.099 5.263 1.00 0.00 C ATOM 2181 C MET A 144 2.539 -10.655 6.681 1.00 0.00 C ATOM 2182 O MET A 144 2.455 -11.379 7.672 1.00 0.00 O ATOM 2183 CB MET A 144 3.842 -11.377 4.697 1.00 0.00 C ATOM 2184 CG MET A 144 4.406 -12.721 5.163 1.00 0.00 C ATOM 2185 SD MET A 144 6.175 -12.951 4.815 1.00 0.00 S ATOM 2186 CE MET A 144 5.927 -12.979 3.016 1.00 0.00 C ATOM 0 H MET A 144 2.208 -9.767 3.756 1.00 0.00 H new ATOM 0 HA MET A 144 1.895 -12.043 5.235 1.00 0.00 H new ATOM 0 HB2 MET A 144 3.800 -11.362 3.608 1.00 0.00 H new ATOM 0 HB3 MET A 144 4.518 -10.578 5.001 1.00 0.00 H new ATOM 0 HG2 MET A 144 4.243 -12.817 6.236 1.00 0.00 H new ATOM 0 HG3 MET A 144 3.846 -13.523 4.682 1.00 0.00 H new ATOM 0 HE1 MET A 144 6.775 -13.471 2.539 1.00 0.00 H new ATOM 0 HE2 MET A 144 5.013 -13.525 2.783 1.00 0.00 H new ATOM 0 HE3 MET A 144 5.844 -11.958 2.644 1.00 0.00 H new ATOM 2196 N MET A 145 2.789 -9.353 6.907 1.00 0.00 N ATOM 2197 CA MET A 145 2.899 -8.661 8.154 1.00 0.00 C ATOM 2198 C MET A 145 1.547 -8.417 8.729 1.00 0.00 C ATOM 2199 O MET A 145 1.391 -8.528 9.944 1.00 0.00 O ATOM 2200 CB MET A 145 3.653 -7.336 7.954 1.00 0.00 C ATOM 2201 CG MET A 145 5.066 -7.613 7.435 1.00 0.00 C ATOM 2202 SD MET A 145 6.246 -8.413 8.563 1.00 0.00 S ATOM 2203 CE MET A 145 6.173 -10.123 7.956 1.00 0.00 C ATOM 0 H MET A 145 2.930 -8.715 6.124 1.00 0.00 H new ATOM 0 HA MET A 145 3.462 -9.278 8.855 1.00 0.00 H new ATOM 0 HB2 MET A 145 3.114 -6.704 7.248 1.00 0.00 H new ATOM 0 HB3 MET A 145 3.703 -6.790 8.896 1.00 0.00 H new ATOM 0 HG2 MET A 145 4.979 -8.237 6.545 1.00 0.00 H new ATOM 0 HG3 MET A 145 5.498 -6.664 7.118 1.00 0.00 H new ATOM 0 HE1 MET A 145 6.607 -10.792 8.699 1.00 0.00 H new ATOM 0 HE2 MET A 145 5.134 -10.402 7.779 1.00 0.00 H new ATOM 0 HE3 MET A 145 6.734 -10.203 7.025 1.00 0.00 H new