USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 648 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 41 THR OG1 : rot -164:sc= -0.787 USER MOD Set 1.2: A 48 GLN : amide:sc= -3.38! C(o=-8.9!,f=-13!) USER MOD Set 1.3: A 79 MET CE :methyl -116:sc= -4.71! (180deg=-7.33!) USER MOD Set 2.1: A 17 GLN : amide:sc= 0.0299 X(o=0.059,f=0) USER MOD Set 2.2: A 19 TYR OH : rot 166:sc= 0.0294 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 30:sc= 0.369 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 121:sc= 0.213 USER MOD Single : A 25 SER OG : rot 124:sc= 0.416 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.243 K(o=-0.24,f=-1.8!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -40:sc= 0.0125 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.0165 K(o=-0.016,f=-2.4!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -4.31! C(o=-4.3!,f=-5.3!) USER MOD Single : A 75 THR OG1 : rot 146:sc= -2.26! USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 153:sc= -0.554 (180deg=-2.36!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 9.252 9.294 -3.266 1.00 0.00 N ATOM 67 CA LEU A 8 8.477 8.991 -2.075 1.00 0.00 C ATOM 68 C LEU A 8 8.474 7.478 -1.845 1.00 0.00 C ATOM 69 O LEU A 8 7.684 6.757 -2.452 1.00 0.00 O ATOM 70 CB LEU A 8 7.078 9.601 -2.175 1.00 0.00 C ATOM 71 CG LEU A 8 6.223 9.530 -0.908 1.00 0.00 C ATOM 72 CD1 LEU A 8 6.739 10.500 0.156 1.00 0.00 C ATOM 73 CD2 LEU A 8 4.746 9.766 -1.230 1.00 0.00 C ATOM 0 HA LEU A 8 8.935 9.447 -1.197 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.179 10.647 -2.463 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.541 9.099 -2.980 1.00 0.00 H new ATOM 0 HG LEU A 8 6.306 8.525 -0.495 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.114 10.430 1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.767 10.245 0.413 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.704 11.518 -0.232 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.160 9.710 -0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.624 10.752 -1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.400 9.004 -1.928 1.00 0.00 H new ATOM 85 N PRO A 9 9.390 7.031 -0.945 1.00 0.00 N ATOM 86 CA PRO A 9 9.500 5.617 -0.628 1.00 0.00 C ATOM 87 C PRO A 9 8.346 5.165 0.269 1.00 0.00 C ATOM 88 O PRO A 9 7.994 5.852 1.227 1.00 0.00 O ATOM 89 CB PRO A 9 10.861 5.467 0.032 1.00 0.00 C ATOM 90 CG PRO A 9 11.263 6.863 0.480 1.00 0.00 C ATOM 91 CD PRO A 9 10.342 7.857 -0.208 1.00 0.00 C ATOM 0 HA PRO A 9 9.428 4.981 -1.510 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.811 4.784 0.880 1.00 0.00 H new ATOM 0 HB3 PRO A 9 11.590 5.056 -0.666 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.182 6.954 1.563 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.303 7.063 0.220 1.00 0.00 H new ATOM 0 HD2 PRO A 9 9.835 8.495 0.517 1.00 0.00 H new ATOM 0 HD3 PRO A 9 10.897 8.514 -0.877 1.00 0.00 H new ATOM 99 N ILE A 10 7.789 4.013 -0.072 1.00 0.00 N ATOM 100 CA ILE A 10 6.683 3.461 0.690 1.00 0.00 C ATOM 101 C ILE A 10 6.984 2.000 1.034 1.00 0.00 C ATOM 102 O ILE A 10 7.028 1.148 0.149 1.00 0.00 O ATOM 103 CB ILE A 10 5.364 3.657 -0.060 1.00 0.00 C ATOM 104 CG1 ILE A 10 5.004 5.141 -0.157 1.00 0.00 C ATOM 105 CG2 ILE A 10 4.242 2.835 0.578 1.00 0.00 C ATOM 106 CD1 ILE A 10 3.852 5.362 -1.140 1.00 0.00 C ATOM 0 H ILE A 10 8.084 3.446 -0.867 1.00 0.00 H new ATOM 0 HA ILE A 10 6.568 3.994 1.634 1.00 0.00 H new ATOM 0 HB ILE A 10 5.492 3.289 -1.078 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.724 5.516 0.827 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.876 5.710 -0.479 1.00 0.00 H new ATOM 0 HG21 ILE A 10 3.316 2.993 0.025 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.505 1.778 0.551 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.105 3.148 1.613 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.616 6.425 -1.191 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.144 5.008 -2.129 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.974 4.811 -0.802 1.00 0.00 H new ATOM 118 N ILE A 11 7.182 1.757 2.321 1.00 0.00 N ATOM 119 CA ILE A 11 7.477 0.415 2.792 1.00 0.00 C ATOM 120 C ILE A 11 6.171 -0.288 3.167 1.00 0.00 C ATOM 121 O ILE A 11 5.322 0.292 3.842 1.00 0.00 O ATOM 122 CB ILE A 11 8.501 0.459 3.929 1.00 0.00 C ATOM 123 CG1 ILE A 11 9.840 1.013 3.439 1.00 0.00 C ATOM 124 CG2 ILE A 11 8.653 -0.916 4.583 1.00 0.00 C ATOM 125 CD1 ILE A 11 10.652 1.591 4.600 1.00 0.00 C ATOM 0 H ILE A 11 7.144 2.467 3.052 1.00 0.00 H new ATOM 0 HA ILE A 11 7.940 -0.174 2.000 1.00 0.00 H new ATOM 0 HB ILE A 11 8.132 1.141 4.696 1.00 0.00 H new ATOM 0 HG12 ILE A 11 10.409 0.221 2.951 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.666 1.787 2.692 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.386 -0.857 5.387 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.693 -1.234 4.990 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.988 -1.638 3.838 1.00 0.00 H new ATOM 0 HD11 ILE A 11 11.599 1.978 4.224 1.00 0.00 H new ATOM 0 HD12 ILE A 11 10.091 2.399 5.070 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.845 0.809 5.334 1.00 0.00 H new ATOM 137 N VAL A 12 6.052 -1.527 2.714 1.00 0.00 N ATOM 138 CA VAL A 12 4.864 -2.316 2.994 1.00 0.00 C ATOM 139 C VAL A 12 5.263 -3.575 3.767 1.00 0.00 C ATOM 140 O VAL A 12 6.345 -4.119 3.557 1.00 0.00 O ATOM 141 CB VAL A 12 4.121 -2.623 1.692 1.00 0.00 C ATOM 142 CG1 VAL A 12 2.716 -3.156 1.976 1.00 0.00 C ATOM 143 CG2 VAL A 12 4.069 -1.391 0.787 1.00 0.00 C ATOM 0 H VAL A 12 6.759 -2.004 2.155 1.00 0.00 H new ATOM 0 HA VAL A 12 4.172 -1.755 3.622 1.00 0.00 H new ATOM 0 HB VAL A 12 4.674 -3.401 1.166 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.209 -3.366 1.034 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.786 -4.072 2.563 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.150 -2.410 2.534 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.536 -1.636 -0.131 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.551 -0.582 1.303 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.083 -1.075 0.544 1.00 0.00 H new ATOM 153 N LYS A 13 4.367 -4.000 4.645 1.00 0.00 N ATOM 154 CA LYS A 13 4.611 -5.185 5.450 1.00 0.00 C ATOM 155 C LYS A 13 3.591 -6.265 5.084 1.00 0.00 C ATOM 156 O LYS A 13 2.385 -6.029 5.143 1.00 0.00 O ATOM 157 CB LYS A 13 4.624 -4.829 6.937 1.00 0.00 C ATOM 158 CG LYS A 13 6.051 -4.820 7.488 1.00 0.00 C ATOM 159 CD LYS A 13 6.302 -6.037 8.381 1.00 0.00 C ATOM 160 CE LYS A 13 6.919 -5.618 9.717 1.00 0.00 C ATOM 161 NZ LYS A 13 6.094 -6.105 10.845 1.00 0.00 N ATOM 0 H LYS A 13 3.470 -3.545 4.817 1.00 0.00 H new ATOM 0 HA LYS A 13 5.598 -5.594 5.236 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.168 -3.850 7.084 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.021 -5.548 7.492 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.763 -4.817 6.663 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.219 -3.906 8.057 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.364 -6.562 8.558 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.967 -6.735 7.872 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.930 -6.018 9.799 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.001 -4.532 9.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.527 -5.812 11.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.137 -5.703 10.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.037 -7.143 10.811 1.00 0.00 H new ATOM 175 N TRP A 14 4.111 -7.425 4.714 1.00 0.00 N ATOM 176 CA TRP A 14 3.260 -8.542 4.339 1.00 0.00 C ATOM 177 C TRP A 14 3.865 -9.817 4.929 1.00 0.00 C ATOM 178 O TRP A 14 4.868 -10.323 4.427 1.00 0.00 O ATOM 179 CB TRP A 14 3.084 -8.611 2.820 1.00 0.00 C ATOM 180 CG TRP A 14 1.864 -9.417 2.371 1.00 0.00 C ATOM 181 CD1 TRP A 14 0.633 -9.414 2.901 1.00 0.00 C ATOM 182 CD2 TRP A 14 1.807 -10.351 1.272 1.00 0.00 C ATOM 183 NE1 TRP A 14 -0.210 -10.273 2.226 1.00 0.00 N ATOM 184 CE2 TRP A 14 0.527 -10.861 1.204 1.00 0.00 C ATOM 185 CE3 TRP A 14 2.804 -10.751 0.366 1.00 0.00 C ATOM 186 CZ2 TRP A 14 0.125 -11.800 0.246 1.00 0.00 C ATOM 187 CZ3 TRP A 14 2.387 -11.689 -0.586 1.00 0.00 C ATOM 188 CH2 TRP A 14 1.102 -12.213 -0.668 1.00 0.00 C ATOM 0 H TRP A 14 5.112 -7.616 4.666 1.00 0.00 H new ATOM 0 HA TRP A 14 2.256 -8.414 4.743 1.00 0.00 H new ATOM 0 HB2 TRP A 14 3.001 -7.597 2.428 1.00 0.00 H new ATOM 0 HB3 TRP A 14 3.979 -9.051 2.380 1.00 0.00 H new ATOM 0 HD1 TRP A 14 0.338 -8.815 3.750 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -1.193 -10.445 2.438 1.00 0.00 H new ATOM 0 HE3 TRP A 14 3.812 -10.365 0.401 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -0.884 -12.185 0.214 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 3.115 -12.029 -1.308 1.00 0.00 H new ATOM 0 HH2 TRP A 14 0.858 -12.935 -1.433 1.00 0.00 H new ATOM 199 N GLY A 15 3.231 -10.300 5.988 1.00 0.00 N ATOM 200 CA GLY A 15 3.694 -11.506 6.652 1.00 0.00 C ATOM 201 C GLY A 15 5.158 -11.370 7.077 1.00 0.00 C ATOM 202 O GLY A 15 5.932 -12.319 6.961 1.00 0.00 O ATOM 0 H GLY A 15 2.400 -9.877 6.402 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.075 -11.705 7.527 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.584 -12.359 5.983 1.00 0.00 H new ATOM 206 N GLY A 16 5.493 -10.183 7.560 1.00 0.00 N ATOM 207 CA GLY A 16 6.850 -9.911 8.002 1.00 0.00 C ATOM 208 C GLY A 16 7.725 -9.449 6.836 1.00 0.00 C ATOM 209 O GLY A 16 8.835 -8.961 7.043 1.00 0.00 O ATOM 0 H GLY A 16 4.848 -9.398 7.655 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.837 -9.145 8.777 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.277 -10.809 8.448 1.00 0.00 H new ATOM 213 N GLN A 17 7.192 -9.619 5.635 1.00 0.00 N ATOM 214 CA GLN A 17 7.911 -9.226 4.435 1.00 0.00 C ATOM 215 C GLN A 17 7.826 -7.711 4.237 1.00 0.00 C ATOM 216 O GLN A 17 6.734 -7.153 4.152 1.00 0.00 O ATOM 217 CB GLN A 17 7.378 -9.969 3.208 1.00 0.00 C ATOM 218 CG GLN A 17 7.375 -11.481 3.441 1.00 0.00 C ATOM 219 CD GLN A 17 7.071 -12.236 2.146 1.00 0.00 C ATOM 220 OE1 GLN A 17 5.937 -12.335 1.707 1.00 0.00 O ATOM 221 NE2 GLN A 17 8.144 -12.759 1.559 1.00 0.00 N ATOM 0 H GLN A 17 6.271 -10.024 5.467 1.00 0.00 H new ATOM 0 HA GLN A 17 8.959 -9.499 4.558 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.367 -9.630 2.984 1.00 0.00 H new ATOM 0 HB3 GLN A 17 7.993 -9.732 2.340 1.00 0.00 H new ATOM 0 HG2 GLN A 17 8.344 -11.794 3.830 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.631 -11.734 4.197 1.00 0.00 H new ATOM 0 HE21 GLN A 17 9.065 -12.639 1.980 1.00 0.00 H new ATOM 0 HE22 GLN A 17 8.046 -13.280 0.688 1.00 0.00 H new ATOM 230 N GLU A 18 8.994 -7.089 4.171 1.00 0.00 N ATOM 231 CA GLU A 18 9.066 -5.649 3.986 1.00 0.00 C ATOM 232 C GLU A 18 9.381 -5.317 2.526 1.00 0.00 C ATOM 233 O GLU A 18 10.473 -5.612 2.041 1.00 0.00 O ATOM 234 CB GLU A 18 10.099 -5.026 4.926 1.00 0.00 C ATOM 235 CG GLU A 18 9.476 -4.692 6.283 1.00 0.00 C ATOM 236 CD GLU A 18 10.553 -4.323 7.305 1.00 0.00 C ATOM 237 OE1 GLU A 18 11.612 -4.987 7.278 1.00 0.00 O ATOM 238 OE2 GLU A 18 10.292 -3.386 8.090 1.00 0.00 O ATOM 0 H GLU A 18 9.898 -7.556 4.242 1.00 0.00 H new ATOM 0 HA GLU A 18 8.095 -5.221 4.234 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.932 -5.715 5.064 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.506 -4.120 4.476 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.776 -3.864 6.172 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.904 -5.546 6.645 1.00 0.00 H new ATOM 245 N TYR A 19 8.407 -4.709 1.867 1.00 0.00 N ATOM 246 CA TYR A 19 8.567 -4.333 0.472 1.00 0.00 C ATOM 247 C TYR A 19 8.767 -2.823 0.330 1.00 0.00 C ATOM 248 O TYR A 19 8.023 -2.037 0.914 1.00 0.00 O ATOM 249 CB TYR A 19 7.264 -4.730 -0.224 1.00 0.00 C ATOM 250 CG TYR A 19 7.068 -6.241 -0.363 1.00 0.00 C ATOM 251 CD1 TYR A 19 7.587 -6.907 -1.455 1.00 0.00 C ATOM 252 CD2 TYR A 19 6.372 -6.939 0.603 1.00 0.00 C ATOM 253 CE1 TYR A 19 7.403 -8.329 -1.587 1.00 0.00 C ATOM 254 CE2 TYR A 19 6.188 -8.361 0.472 1.00 0.00 C ATOM 255 CZ TYR A 19 6.712 -8.986 -0.617 1.00 0.00 C ATOM 256 OH TYR A 19 6.538 -10.329 -0.740 1.00 0.00 O ATOM 0 H TYR A 19 7.503 -4.467 2.273 1.00 0.00 H new ATOM 0 HA TYR A 19 9.439 -4.825 0.040 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.425 -4.315 0.334 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.242 -4.278 -1.216 1.00 0.00 H new ATOM 0 HD1 TYR A 19 8.132 -6.361 -2.211 1.00 0.00 H new ATOM 0 HD2 TYR A 19 5.965 -6.418 1.457 1.00 0.00 H new ATOM 0 HE1 TYR A 19 7.804 -8.862 -2.437 1.00 0.00 H new ATOM 0 HE2 TYR A 19 5.646 -8.919 1.221 1.00 0.00 H new ATOM 0 HH TYR A 19 6.232 -10.699 0.114 1.00 0.00 H new ATOM 266 N SER A 20 9.777 -2.463 -0.448 1.00 0.00 N ATOM 267 CA SER A 20 10.085 -1.061 -0.674 1.00 0.00 C ATOM 268 C SER A 20 9.472 -0.597 -1.997 1.00 0.00 C ATOM 269 O SER A 20 9.784 -1.143 -3.055 1.00 0.00 O ATOM 270 CB SER A 20 11.596 -0.823 -0.677 1.00 0.00 C ATOM 271 OG SER A 20 12.245 -1.523 -1.735 1.00 0.00 O ATOM 0 H SER A 20 10.393 -3.118 -0.930 1.00 0.00 H new ATOM 0 HA SER A 20 9.654 -0.480 0.142 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.795 0.244 -0.773 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.015 -1.140 0.278 1.00 0.00 H new ATOM 0 HG SER A 20 11.630 -1.613 -2.493 1.00 0.00 H new ATOM 277 N VAL A 21 8.611 0.404 -1.895 1.00 0.00 N ATOM 278 CA VAL A 21 7.952 0.948 -3.070 1.00 0.00 C ATOM 279 C VAL A 21 8.539 2.324 -3.389 1.00 0.00 C ATOM 280 O VAL A 21 8.368 3.269 -2.620 1.00 0.00 O ATOM 281 CB VAL A 21 6.437 0.980 -2.852 1.00 0.00 C ATOM 282 CG1 VAL A 21 5.703 1.307 -4.154 1.00 0.00 C ATOM 283 CG2 VAL A 21 5.941 -0.340 -2.259 1.00 0.00 C ATOM 0 H VAL A 21 8.354 0.853 -1.016 1.00 0.00 H new ATOM 0 HA VAL A 21 8.130 0.311 -3.936 1.00 0.00 H new ATOM 0 HB VAL A 21 6.218 1.772 -2.136 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.628 1.324 -3.972 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.024 2.283 -4.518 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.932 0.548 -4.902 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.862 -0.291 -2.114 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.179 -1.157 -2.940 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.428 -0.514 -1.300 1.00 0.00 H new ATOM 293 N THR A 22 9.219 2.393 -4.523 1.00 0.00 N ATOM 294 CA THR A 22 9.833 3.638 -4.953 1.00 0.00 C ATOM 295 C THR A 22 9.706 3.800 -6.469 1.00 0.00 C ATOM 296 O THR A 22 10.633 4.268 -7.127 1.00 0.00 O ATOM 297 CB THR A 22 11.282 3.646 -4.461 1.00 0.00 C ATOM 298 OG1 THR A 22 11.835 2.444 -4.991 1.00 0.00 O ATOM 299 CG2 THR A 22 11.386 3.467 -2.945 1.00 0.00 C ATOM 0 H THR A 22 9.359 1.607 -5.158 1.00 0.00 H new ATOM 0 HA THR A 22 9.323 4.499 -4.522 1.00 0.00 H new ATOM 0 HB THR A 22 11.758 4.583 -4.750 1.00 0.00 H new ATOM 0 HG1 THR A 22 12.774 2.369 -4.722 1.00 0.00 H new ATOM 0 HG21 THR A 22 12.435 3.480 -2.648 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.857 4.279 -2.446 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.940 2.514 -2.660 1.00 0.00 H new ATOM 307 N THR A 23 8.549 3.404 -6.979 1.00 0.00 N ATOM 308 CA THR A 23 8.288 3.499 -8.405 1.00 0.00 C ATOM 309 C THR A 23 7.283 4.618 -8.690 1.00 0.00 C ATOM 310 O THR A 23 7.431 5.356 -9.663 1.00 0.00 O ATOM 311 CB THR A 23 7.822 2.126 -8.894 1.00 0.00 C ATOM 312 OG1 THR A 23 8.960 1.288 -8.709 1.00 0.00 O ATOM 313 CG2 THR A 23 7.577 2.093 -10.404 1.00 0.00 C ATOM 0 H THR A 23 7.782 3.017 -6.430 1.00 0.00 H new ATOM 0 HA THR A 23 9.190 3.767 -8.955 1.00 0.00 H new ATOM 0 HB THR A 23 6.907 1.847 -8.372 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.728 0.550 -8.108 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.248 1.096 -10.698 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.807 2.820 -10.664 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.501 2.339 -10.928 1.00 0.00 H new ATOM 321 N LEU A 24 6.285 4.708 -7.824 1.00 0.00 N ATOM 322 CA LEU A 24 5.257 5.724 -7.970 1.00 0.00 C ATOM 323 C LEU A 24 5.639 6.953 -7.142 1.00 0.00 C ATOM 324 O LEU A 24 6.667 6.956 -6.467 1.00 0.00 O ATOM 325 CB LEU A 24 3.883 5.150 -7.620 1.00 0.00 C ATOM 326 CG LEU A 24 3.834 4.216 -6.409 1.00 0.00 C ATOM 327 CD1 LEU A 24 2.554 4.433 -5.600 1.00 0.00 C ATOM 328 CD2 LEU A 24 4.003 2.756 -6.835 1.00 0.00 C ATOM 0 H LEU A 24 6.166 4.094 -7.018 1.00 0.00 H new ATOM 0 HA LEU A 24 5.187 6.048 -9.008 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.199 5.980 -7.441 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.506 4.608 -8.487 1.00 0.00 H new ATOM 0 HG LEU A 24 4.672 4.460 -5.756 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.545 3.757 -4.745 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.517 5.464 -5.248 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.687 4.233 -6.230 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.964 2.114 -5.955 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.201 2.482 -7.520 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.964 2.631 -7.333 1.00 0.00 H new ATOM 340 N SER A 25 4.790 7.967 -7.222 1.00 0.00 N ATOM 341 CA SER A 25 5.026 9.199 -6.489 1.00 0.00 C ATOM 342 C SER A 25 3.698 9.905 -6.210 1.00 0.00 C ATOM 343 O SER A 25 2.636 9.408 -6.585 1.00 0.00 O ATOM 344 CB SER A 25 5.969 10.126 -7.258 1.00 0.00 C ATOM 345 OG SER A 25 5.318 10.754 -8.360 1.00 0.00 O ATOM 0 H SER A 25 3.938 7.961 -7.783 1.00 0.00 H new ATOM 0 HA SER A 25 5.502 8.947 -5.541 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.357 10.889 -6.583 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.824 9.555 -7.619 1.00 0.00 H new ATOM 0 HG SER A 25 5.401 11.727 -8.278 1.00 0.00 H new ATOM 351 N GLU A 26 3.800 11.052 -5.556 1.00 0.00 N ATOM 352 CA GLU A 26 2.619 11.831 -5.223 1.00 0.00 C ATOM 353 C GLU A 26 1.680 11.914 -6.428 1.00 0.00 C ATOM 354 O GLU A 26 0.471 11.739 -6.290 1.00 0.00 O ATOM 355 CB GLU A 26 3.004 13.228 -4.731 1.00 0.00 C ATOM 356 CG GLU A 26 3.678 13.160 -3.359 1.00 0.00 C ATOM 357 CD GLU A 26 4.925 14.045 -3.316 1.00 0.00 C ATOM 358 OE1 GLU A 26 4.891 15.106 -3.974 1.00 0.00 O ATOM 359 OE2 GLU A 26 5.885 13.638 -2.626 1.00 0.00 O ATOM 0 H GLU A 26 4.682 11.461 -5.248 1.00 0.00 H new ATOM 0 HA GLU A 26 2.093 11.328 -4.412 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.678 13.697 -5.448 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.114 13.855 -4.672 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.975 13.478 -2.589 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.952 12.129 -3.135 1.00 0.00 H new ATOM 366 N ASP A 27 2.274 12.180 -7.583 1.00 0.00 N ATOM 367 CA ASP A 27 1.505 12.288 -8.811 1.00 0.00 C ATOM 368 C ASP A 27 0.625 11.046 -8.968 1.00 0.00 C ATOM 369 O ASP A 27 -0.587 11.159 -9.149 1.00 0.00 O ATOM 370 CB ASP A 27 2.426 12.371 -10.031 1.00 0.00 C ATOM 371 CG ASP A 27 3.492 13.466 -9.962 1.00 0.00 C ATOM 372 OD1 ASP A 27 3.155 14.611 -10.335 1.00 0.00 O ATOM 373 OD2 ASP A 27 4.620 13.135 -9.539 1.00 0.00 O ATOM 0 H ASP A 27 3.278 12.324 -7.694 1.00 0.00 H new ATOM 0 HA ASP A 27 0.900 13.193 -8.752 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.922 11.409 -10.159 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.815 12.535 -10.919 1.00 0.00 H new ATOM 378 N ASP A 28 1.268 9.891 -8.892 1.00 0.00 N ATOM 379 CA ASP A 28 0.558 8.629 -9.023 1.00 0.00 C ATOM 380 C ASP A 28 -0.591 8.589 -8.014 1.00 0.00 C ATOM 381 O ASP A 28 -0.521 9.222 -6.961 1.00 0.00 O ATOM 382 CB ASP A 28 1.483 7.445 -8.734 1.00 0.00 C ATOM 383 CG ASP A 28 2.557 7.190 -9.793 1.00 0.00 C ATOM 384 OD1 ASP A 28 3.366 8.117 -10.014 1.00 0.00 O ATOM 385 OD2 ASP A 28 2.546 6.075 -10.356 1.00 0.00 O ATOM 0 H ASP A 28 2.273 9.802 -8.741 1.00 0.00 H new ATOM 0 HA ASP A 28 0.186 8.555 -10.045 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.973 7.612 -7.774 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.876 6.546 -8.630 1.00 0.00 H new ATOM 390 N THR A 29 -1.623 7.838 -8.370 1.00 0.00 N ATOM 391 CA THR A 29 -2.786 7.707 -7.509 1.00 0.00 C ATOM 392 C THR A 29 -2.698 6.419 -6.687 1.00 0.00 C ATOM 393 O THR A 29 -1.920 5.524 -7.011 1.00 0.00 O ATOM 394 CB THR A 29 -4.036 7.782 -8.388 1.00 0.00 C ATOM 395 OG1 THR A 29 -3.946 9.061 -9.010 1.00 0.00 O ATOM 396 CG2 THR A 29 -5.325 7.857 -7.567 1.00 0.00 C ATOM 0 H THR A 29 -1.678 7.314 -9.243 1.00 0.00 H new ATOM 0 HA THR A 29 -2.833 8.518 -6.782 1.00 0.00 H new ATOM 0 HB THR A 29 -4.073 6.911 -9.043 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.717 9.193 -9.600 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.182 7.909 -8.239 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.409 6.970 -6.939 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.304 8.746 -6.937 1.00 0.00 H new ATOM 404 N VAL A 30 -3.508 6.368 -5.639 1.00 0.00 N ATOM 405 CA VAL A 30 -3.531 5.205 -4.769 1.00 0.00 C ATOM 406 C VAL A 30 -3.578 3.935 -5.621 1.00 0.00 C ATOM 407 O VAL A 30 -2.936 2.939 -5.293 1.00 0.00 O ATOM 408 CB VAL A 30 -4.701 5.310 -3.787 1.00 0.00 C ATOM 409 CG1 VAL A 30 -4.813 4.046 -2.932 1.00 0.00 C ATOM 410 CG2 VAL A 30 -4.570 6.556 -2.910 1.00 0.00 C ATOM 0 H VAL A 30 -4.152 7.113 -5.373 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.622 5.159 -4.169 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.619 5.404 -4.367 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.652 4.146 -2.243 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.975 3.183 -3.578 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.892 3.907 -2.365 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.414 6.607 -2.222 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.641 6.505 -2.342 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.562 7.445 -3.540 1.00 0.00 H new ATOM 420 N LEU A 31 -4.344 4.013 -6.699 1.00 0.00 N ATOM 421 CA LEU A 31 -4.483 2.883 -7.602 1.00 0.00 C ATOM 422 C LEU A 31 -3.094 2.373 -7.992 1.00 0.00 C ATOM 423 O LEU A 31 -2.786 1.197 -7.807 1.00 0.00 O ATOM 424 CB LEU A 31 -5.359 3.257 -8.799 1.00 0.00 C ATOM 425 CG LEU A 31 -5.599 2.150 -9.827 1.00 0.00 C ATOM 426 CD1 LEU A 31 -6.668 1.170 -9.339 1.00 0.00 C ATOM 427 CD2 LEU A 31 -5.944 2.738 -11.196 1.00 0.00 C ATOM 0 H LEU A 31 -4.875 4.841 -6.968 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.997 2.060 -7.105 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.326 3.594 -8.425 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.901 4.105 -9.308 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.674 1.586 -9.943 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.819 0.393 -10.089 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.343 0.714 -8.404 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.604 1.704 -9.176 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.110 1.929 -11.908 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.848 3.342 -11.115 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.120 3.363 -11.542 1.00 0.00 H new ATOM 439 N ASP A 32 -2.293 3.284 -8.524 1.00 0.00 N ATOM 440 CA ASP A 32 -0.944 2.942 -8.942 1.00 0.00 C ATOM 441 C ASP A 32 -0.302 2.039 -7.887 1.00 0.00 C ATOM 442 O ASP A 32 0.194 0.960 -8.208 1.00 0.00 O ATOM 443 CB ASP A 32 -0.077 4.195 -9.083 1.00 0.00 C ATOM 444 CG ASP A 32 0.521 4.414 -10.474 1.00 0.00 C ATOM 445 OD1 ASP A 32 1.425 3.629 -10.834 1.00 0.00 O ATOM 446 OD2 ASP A 32 0.061 5.362 -11.147 1.00 0.00 O ATOM 0 H ASP A 32 -2.552 4.259 -8.675 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.007 2.437 -9.906 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.678 5.066 -8.821 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.736 4.139 -8.359 1.00 0.00 H new ATOM 451 N LEU A 33 -0.331 2.513 -6.651 1.00 0.00 N ATOM 452 CA LEU A 33 0.242 1.762 -5.547 1.00 0.00 C ATOM 453 C LEU A 33 -0.334 0.345 -5.547 1.00 0.00 C ATOM 454 O LEU A 33 0.398 -0.627 -5.729 1.00 0.00 O ATOM 455 CB LEU A 33 0.038 2.509 -4.227 1.00 0.00 C ATOM 456 CG LEU A 33 0.885 2.029 -3.047 1.00 0.00 C ATOM 457 CD1 LEU A 33 2.237 2.743 -3.016 1.00 0.00 C ATOM 458 CD2 LEU A 33 0.125 2.183 -1.728 1.00 0.00 C ATOM 0 H LEU A 33 -0.743 3.409 -6.389 1.00 0.00 H new ATOM 0 HA LEU A 33 1.321 1.668 -5.670 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.249 3.565 -4.394 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.013 2.434 -3.949 1.00 0.00 H new ATOM 0 HG LEU A 33 1.086 0.966 -3.181 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.819 2.383 -2.168 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.778 2.538 -3.940 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.079 3.817 -2.918 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.750 1.835 -0.905 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.127 3.232 -1.573 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.790 1.592 -1.764 1.00 0.00 H new ATOM 470 N LYS A 34 -1.641 0.271 -5.340 1.00 0.00 N ATOM 471 CA LYS A 34 -2.324 -1.011 -5.314 1.00 0.00 C ATOM 472 C LYS A 34 -1.875 -1.847 -6.514 1.00 0.00 C ATOM 473 O LYS A 34 -1.242 -2.888 -6.348 1.00 0.00 O ATOM 474 CB LYS A 34 -3.838 -0.810 -5.236 1.00 0.00 C ATOM 475 CG LYS A 34 -4.228 -0.067 -3.956 1.00 0.00 C ATOM 476 CD LYS A 34 -5.660 0.464 -4.045 1.00 0.00 C ATOM 477 CE LYS A 34 -6.368 0.357 -2.693 1.00 0.00 C ATOM 478 NZ LYS A 34 -7.803 0.692 -2.832 1.00 0.00 N ATOM 0 H LYS A 34 -2.245 1.079 -5.189 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.054 -1.569 -4.417 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.179 -0.248 -6.105 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.339 -1.778 -5.266 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.137 -0.736 -3.101 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.539 0.761 -3.788 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.647 1.504 -4.372 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.215 -0.099 -4.796 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.261 -0.653 -2.299 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.899 1.031 -1.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.269 0.615 -1.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.900 1.664 -3.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.250 0.033 -3.501 1.00 0.00 H new ATOM 492 N GLN A 35 -2.221 -1.360 -7.697 1.00 0.00 N ATOM 493 CA GLN A 35 -1.862 -2.050 -8.924 1.00 0.00 C ATOM 494 C GLN A 35 -0.420 -2.555 -8.847 1.00 0.00 C ATOM 495 O GLN A 35 -0.126 -3.670 -9.274 1.00 0.00 O ATOM 496 CB GLN A 35 -2.062 -1.143 -10.141 1.00 0.00 C ATOM 497 CG GLN A 35 -3.508 -1.200 -10.636 1.00 0.00 C ATOM 498 CD GLN A 35 -3.572 -1.061 -12.159 1.00 0.00 C ATOM 499 OE1 GLN A 35 -2.653 -1.413 -12.879 1.00 0.00 O ATOM 500 NE2 GLN A 35 -4.706 -0.528 -12.606 1.00 0.00 N ATOM 0 H GLN A 35 -2.746 -0.496 -7.831 1.00 0.00 H new ATOM 0 HA GLN A 35 -2.521 -2.910 -9.041 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.803 -0.117 -9.880 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.388 -1.448 -10.941 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -3.963 -2.143 -10.334 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.087 -0.403 -10.170 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -5.436 -0.255 -11.947 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -4.846 -0.392 -13.607 1.00 0.00 H new ATOM 509 N PHE A 36 0.441 -1.709 -8.300 1.00 0.00 N ATOM 510 CA PHE A 36 1.845 -2.056 -8.161 1.00 0.00 C ATOM 511 C PHE A 36 2.044 -3.111 -7.071 1.00 0.00 C ATOM 512 O PHE A 36 2.852 -4.025 -7.228 1.00 0.00 O ATOM 513 CB PHE A 36 2.584 -0.778 -7.759 1.00 0.00 C ATOM 514 CG PHE A 36 4.098 -0.843 -7.968 1.00 0.00 C ATOM 515 CD1 PHE A 36 4.604 -1.122 -9.199 1.00 0.00 C ATOM 516 CD2 PHE A 36 4.938 -0.620 -6.922 1.00 0.00 C ATOM 517 CE1 PHE A 36 6.009 -1.182 -9.392 1.00 0.00 C ATOM 518 CE2 PHE A 36 6.344 -0.680 -7.115 1.00 0.00 C ATOM 519 CZ PHE A 36 6.850 -0.960 -8.346 1.00 0.00 C ATOM 0 H PHE A 36 0.193 -0.784 -7.948 1.00 0.00 H new ATOM 0 HA PHE A 36 2.221 -2.466 -9.098 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.184 0.057 -8.334 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.381 -0.568 -6.709 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.937 -1.298 -10.030 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.536 -0.397 -5.945 1.00 0.00 H new ATOM 0 HE1 PHE A 36 6.411 -1.404 -10.370 1.00 0.00 H new ATOM 0 HE2 PHE A 36 7.011 -0.503 -6.284 1.00 0.00 H new ATOM 0 HZ PHE A 36 7.919 -1.006 -8.493 1.00 0.00 H new ATOM 529 N LEU A 37 1.294 -2.948 -5.991 1.00 0.00 N ATOM 530 CA LEU A 37 1.379 -3.875 -4.875 1.00 0.00 C ATOM 531 C LEU A 37 0.844 -5.241 -5.311 1.00 0.00 C ATOM 532 O LEU A 37 1.194 -6.264 -4.725 1.00 0.00 O ATOM 533 CB LEU A 37 0.670 -3.301 -3.647 1.00 0.00 C ATOM 534 CG LEU A 37 1.252 -2.004 -3.082 1.00 0.00 C ATOM 535 CD1 LEU A 37 0.154 -1.130 -2.473 1.00 0.00 C ATOM 536 CD2 LEU A 37 2.373 -2.296 -2.082 1.00 0.00 C ATOM 0 H LEU A 37 0.625 -2.188 -5.865 1.00 0.00 H new ATOM 0 HA LEU A 37 2.418 -4.019 -4.577 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.375 -3.125 -3.904 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.682 -4.055 -2.860 1.00 0.00 H new ATOM 0 HG LEU A 37 1.693 -1.441 -3.904 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.595 -0.214 -2.079 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.579 -0.879 -3.240 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.337 -1.673 -1.666 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.769 -1.357 -1.695 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.979 -2.891 -1.258 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.170 -2.849 -2.580 1.00 0.00 H new ATOM 548 N LYS A 38 0.006 -5.213 -6.336 1.00 0.00 N ATOM 549 CA LYS A 38 -0.580 -6.436 -6.857 1.00 0.00 C ATOM 550 C LYS A 38 0.510 -7.274 -7.529 1.00 0.00 C ATOM 551 O LYS A 38 0.358 -8.484 -7.689 1.00 0.00 O ATOM 552 CB LYS A 38 -1.762 -6.116 -7.775 1.00 0.00 C ATOM 553 CG LYS A 38 -2.449 -7.397 -8.252 1.00 0.00 C ATOM 554 CD LYS A 38 -3.047 -7.212 -9.648 1.00 0.00 C ATOM 555 CE LYS A 38 -4.234 -8.152 -9.866 1.00 0.00 C ATOM 556 NZ LYS A 38 -4.074 -8.904 -11.131 1.00 0.00 N ATOM 0 H LYS A 38 -0.281 -4.362 -6.820 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.990 -7.037 -6.045 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.480 -5.490 -7.245 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.414 -5.544 -8.635 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.730 -8.216 -8.266 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.235 -7.675 -7.550 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.369 -6.178 -9.775 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.284 -7.403 -10.402 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.313 -8.847 -9.030 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.160 -7.578 -9.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.888 -9.537 -11.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.021 -8.237 -11.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.200 -9.467 -11.092 1.00 0.00 H new ATOM 570 N THR A 39 1.586 -6.596 -7.902 1.00 0.00 N ATOM 571 CA THR A 39 2.701 -7.262 -8.552 1.00 0.00 C ATOM 572 C THR A 39 3.806 -7.566 -7.538 1.00 0.00 C ATOM 573 O THR A 39 4.696 -8.371 -7.806 1.00 0.00 O ATOM 574 CB THR A 39 3.167 -6.381 -9.713 1.00 0.00 C ATOM 575 OG1 THR A 39 3.817 -7.288 -10.599 1.00 0.00 O ATOM 576 CG2 THR A 39 4.273 -5.407 -9.301 1.00 0.00 C ATOM 0 H THR A 39 1.709 -5.593 -7.766 1.00 0.00 H new ATOM 0 HA THR A 39 2.402 -8.228 -8.958 1.00 0.00 H new ATOM 0 HB THR A 39 2.318 -5.822 -10.107 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.335 -7.938 -10.080 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.567 -4.806 -10.161 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.906 -4.753 -8.510 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.135 -5.967 -8.938 1.00 0.00 H new ATOM 584 N LEU A 40 3.712 -6.905 -6.394 1.00 0.00 N ATOM 585 CA LEU A 40 4.692 -7.093 -5.338 1.00 0.00 C ATOM 586 C LEU A 40 4.287 -8.293 -4.480 1.00 0.00 C ATOM 587 O LEU A 40 5.066 -9.229 -4.307 1.00 0.00 O ATOM 588 CB LEU A 40 4.876 -5.801 -4.540 1.00 0.00 C ATOM 589 CG LEU A 40 5.517 -4.633 -5.292 1.00 0.00 C ATOM 590 CD1 LEU A 40 5.474 -3.353 -4.456 1.00 0.00 C ATOM 591 CD2 LEU A 40 6.939 -4.981 -5.736 1.00 0.00 C ATOM 0 H LEU A 40 2.972 -6.238 -6.175 1.00 0.00 H new ATOM 0 HA LEU A 40 5.670 -7.319 -5.763 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.900 -5.481 -4.176 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.486 -6.022 -3.664 1.00 0.00 H new ATOM 0 HG LEU A 40 4.935 -4.447 -6.195 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.936 -2.538 -5.014 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.438 -3.098 -4.233 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.018 -3.509 -3.524 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.372 -4.134 -6.268 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.548 -5.209 -4.861 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.912 -5.848 -6.396 1.00 0.00 H new ATOM 603 N THR A 41 3.067 -8.227 -3.965 1.00 0.00 N ATOM 604 CA THR A 41 2.549 -9.297 -3.130 1.00 0.00 C ATOM 605 C THR A 41 1.873 -10.366 -3.990 1.00 0.00 C ATOM 606 O THR A 41 1.592 -11.465 -3.515 1.00 0.00 O ATOM 607 CB THR A 41 1.615 -8.674 -2.090 1.00 0.00 C ATOM 608 OG1 THR A 41 0.820 -7.761 -2.841 1.00 0.00 O ATOM 609 CG2 THR A 41 2.360 -7.786 -1.091 1.00 0.00 C ATOM 0 H THR A 41 2.423 -7.449 -4.110 1.00 0.00 H new ATOM 0 HA THR A 41 3.352 -9.810 -2.602 1.00 0.00 H new ATOM 0 HB THR A 41 1.092 -9.464 -1.552 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.375 -7.136 -2.231 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.651 -7.369 -0.376 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.104 -8.380 -0.560 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.856 -6.975 -1.624 1.00 0.00 H new ATOM 617 N GLY A 42 1.631 -10.007 -5.242 1.00 0.00 N ATOM 618 CA GLY A 42 0.994 -10.922 -6.174 1.00 0.00 C ATOM 619 C GLY A 42 -0.453 -11.202 -5.763 1.00 0.00 C ATOM 620 O GLY A 42 -0.984 -12.277 -6.040 1.00 0.00 O ATOM 0 H GLY A 42 1.865 -9.094 -5.633 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.015 -10.498 -7.178 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.553 -11.857 -6.211 1.00 0.00 H new ATOM 624 N VAL A 43 -1.051 -10.217 -5.110 1.00 0.00 N ATOM 625 CA VAL A 43 -2.426 -10.344 -4.658 1.00 0.00 C ATOM 626 C VAL A 43 -3.270 -9.233 -5.287 1.00 0.00 C ATOM 627 O VAL A 43 -2.801 -8.106 -5.444 1.00 0.00 O ATOM 628 CB VAL A 43 -2.477 -10.341 -3.129 1.00 0.00 C ATOM 629 CG1 VAL A 43 -3.920 -10.438 -2.629 1.00 0.00 C ATOM 630 CG2 VAL A 43 -1.618 -11.466 -2.550 1.00 0.00 C ATOM 0 H VAL A 43 -0.608 -9.327 -4.883 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.848 -11.295 -4.982 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.065 -9.394 -2.781 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.928 -10.434 -1.539 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.491 -9.587 -2.999 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.369 -11.362 -2.992 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.672 -11.441 -1.462 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.986 -12.427 -2.910 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.583 -11.333 -2.865 1.00 0.00 H new ATOM 640 N LEU A 44 -4.499 -9.589 -5.630 1.00 0.00 N ATOM 641 CA LEU A 44 -5.412 -8.636 -6.238 1.00 0.00 C ATOM 642 C LEU A 44 -5.427 -7.351 -5.409 1.00 0.00 C ATOM 643 O LEU A 44 -5.169 -7.380 -4.207 1.00 0.00 O ATOM 644 CB LEU A 44 -6.795 -9.264 -6.425 1.00 0.00 C ATOM 645 CG LEU A 44 -6.828 -10.610 -7.151 1.00 0.00 C ATOM 646 CD1 LEU A 44 -8.268 -11.068 -7.391 1.00 0.00 C ATOM 647 CD2 LEU A 44 -6.020 -10.554 -8.449 1.00 0.00 C ATOM 0 H LEU A 44 -4.884 -10.524 -5.498 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.072 -8.367 -7.238 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.250 -9.392 -5.443 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.420 -8.561 -6.976 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.356 -11.355 -6.511 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.263 -12.027 -7.909 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.780 -11.174 -6.435 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.788 -10.329 -8.001 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.060 -11.524 -8.945 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.440 -9.793 -9.106 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.983 -10.306 -8.222 1.00 0.00 H new ATOM 659 N PRO A 45 -5.739 -6.223 -6.103 1.00 0.00 N ATOM 660 CA PRO A 45 -5.791 -4.929 -5.444 1.00 0.00 C ATOM 661 C PRO A 45 -7.056 -4.798 -4.593 1.00 0.00 C ATOM 662 O PRO A 45 -7.006 -4.284 -3.477 1.00 0.00 O ATOM 663 CB PRO A 45 -5.724 -3.911 -6.570 1.00 0.00 C ATOM 664 CG PRO A 45 -6.105 -4.663 -7.835 1.00 0.00 C ATOM 665 CD PRO A 45 -6.050 -6.151 -7.528 1.00 0.00 C ATOM 0 HA PRO A 45 -4.970 -4.781 -4.742 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.407 -3.082 -6.388 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.723 -3.487 -6.654 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.105 -4.378 -8.162 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.421 -4.415 -8.647 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -7.000 -6.637 -7.751 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.288 -6.651 -8.126 1.00 0.00 H new ATOM 673 N GLU A 46 -8.159 -5.271 -5.153 1.00 0.00 N ATOM 674 CA GLU A 46 -9.435 -5.213 -4.460 1.00 0.00 C ATOM 675 C GLU A 46 -9.399 -6.092 -3.208 1.00 0.00 C ATOM 676 O GLU A 46 -10.065 -5.795 -2.217 1.00 0.00 O ATOM 677 CB GLU A 46 -10.581 -5.624 -5.386 1.00 0.00 C ATOM 678 CG GLU A 46 -10.463 -7.096 -5.785 1.00 0.00 C ATOM 679 CD GLU A 46 -11.539 -7.477 -6.804 1.00 0.00 C ATOM 680 OE1 GLU A 46 -12.631 -7.883 -6.351 1.00 0.00 O ATOM 681 OE2 GLU A 46 -11.246 -7.352 -8.012 1.00 0.00 O ATOM 0 H GLU A 46 -8.196 -5.696 -6.079 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.613 -4.183 -4.152 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.535 -5.454 -4.887 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.573 -5.000 -6.279 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.475 -7.284 -6.206 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.557 -7.725 -4.900 1.00 0.00 H new ATOM 688 N ARG A 47 -8.614 -7.156 -3.293 1.00 0.00 N ATOM 689 CA ARG A 47 -8.483 -8.080 -2.179 1.00 0.00 C ATOM 690 C ARG A 47 -7.413 -7.586 -1.203 1.00 0.00 C ATOM 691 O ARG A 47 -7.522 -7.800 0.003 1.00 0.00 O ATOM 692 CB ARG A 47 -8.110 -9.481 -2.667 1.00 0.00 C ATOM 693 CG ARG A 47 -9.258 -10.109 -3.461 1.00 0.00 C ATOM 694 CD ARG A 47 -9.871 -11.286 -2.700 1.00 0.00 C ATOM 695 NE ARG A 47 -10.929 -11.920 -3.517 1.00 0.00 N ATOM 696 CZ ARG A 47 -11.758 -12.871 -3.066 1.00 0.00 C ATOM 697 NH1 ARG A 47 -11.657 -13.304 -1.802 1.00 0.00 N ATOM 698 NH2 ARG A 47 -12.689 -13.390 -3.879 1.00 0.00 N ATOM 0 H ARG A 47 -8.062 -7.399 -4.116 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.447 -8.128 -1.673 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.218 -9.427 -3.291 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -7.864 -10.114 -1.814 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -10.024 -9.358 -3.655 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.892 -10.449 -4.430 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -9.099 -12.017 -2.460 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -10.288 -10.941 -1.754 1.00 0.00 H new ATOM 0 HE ARG A 47 -11.034 -11.614 -4.484 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -10.949 -12.910 -1.183 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -12.288 -14.028 -1.459 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -12.766 -13.061 -4.841 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -13.320 -14.114 -3.535 1.00 0.00 H new ATOM 712 N GLN A 48 -6.404 -6.934 -1.761 1.00 0.00 N ATOM 713 CA GLN A 48 -5.316 -6.408 -0.955 1.00 0.00 C ATOM 714 C GLN A 48 -5.865 -5.521 0.165 1.00 0.00 C ATOM 715 O GLN A 48 -6.707 -4.659 -0.078 1.00 0.00 O ATOM 716 CB GLN A 48 -4.314 -5.640 -1.820 1.00 0.00 C ATOM 717 CG GLN A 48 -3.102 -6.511 -2.159 1.00 0.00 C ATOM 718 CD GLN A 48 -1.973 -5.670 -2.759 1.00 0.00 C ATOM 719 OE1 GLN A 48 -0.902 -5.529 -2.193 1.00 0.00 O ATOM 720 NE2 GLN A 48 -2.272 -5.122 -3.933 1.00 0.00 N ATOM 0 H GLN A 48 -6.317 -6.758 -2.762 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.788 -7.247 -0.502 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.799 -5.311 -2.739 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.986 -4.743 -1.294 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.747 -7.013 -1.259 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.395 -7.289 -2.864 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.189 -5.281 -4.351 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.585 -4.543 -4.415 1.00 0.00 H new ATOM 729 N LYS A 49 -5.365 -5.765 1.368 1.00 0.00 N ATOM 730 CA LYS A 49 -5.796 -4.999 2.525 1.00 0.00 C ATOM 731 C LYS A 49 -4.634 -4.135 3.020 1.00 0.00 C ATOM 732 O LYS A 49 -3.490 -4.583 3.048 1.00 0.00 O ATOM 733 CB LYS A 49 -6.371 -5.927 3.597 1.00 0.00 C ATOM 734 CG LYS A 49 -6.657 -5.161 4.890 1.00 0.00 C ATOM 735 CD LYS A 49 -8.054 -4.539 4.862 1.00 0.00 C ATOM 736 CE LYS A 49 -8.009 -3.112 4.312 1.00 0.00 C ATOM 737 NZ LYS A 49 -9.317 -2.444 4.495 1.00 0.00 N ATOM 0 H LYS A 49 -4.666 -6.481 1.566 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.606 -4.322 2.254 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.290 -6.386 3.231 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.669 -6.736 3.797 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -6.572 -5.835 5.742 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.910 -4.379 5.026 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.715 -5.149 4.246 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -8.473 -4.531 5.868 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -7.230 -2.544 4.821 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.749 -3.132 3.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.269 -1.477 4.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.053 -2.977 3.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.550 -2.408 5.508 1.00 0.00 H new ATOM 751 N LEU A 50 -4.970 -2.910 3.397 1.00 0.00 N ATOM 752 CA LEU A 50 -3.969 -1.978 3.889 1.00 0.00 C ATOM 753 C LEU A 50 -4.195 -1.736 5.383 1.00 0.00 C ATOM 754 O LEU A 50 -5.184 -1.117 5.773 1.00 0.00 O ATOM 755 CB LEU A 50 -3.972 -0.697 3.051 1.00 0.00 C ATOM 756 CG LEU A 50 -3.754 -0.879 1.548 1.00 0.00 C ATOM 757 CD1 LEU A 50 -3.489 0.464 0.866 1.00 0.00 C ATOM 758 CD2 LEU A 50 -2.639 -1.891 1.273 1.00 0.00 C ATOM 0 H LEU A 50 -5.921 -2.541 3.372 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.970 -2.400 3.781 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.925 -0.190 3.201 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.195 -0.035 3.433 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.670 -1.284 1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.337 0.306 -0.202 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.343 1.124 1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.597 0.920 1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.505 -2.001 0.197 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.709 -1.539 1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.907 -2.855 1.706 1.00 0.00 H new ATOM 770 N LEU A 51 -3.261 -2.236 6.178 1.00 0.00 N ATOM 771 CA LEU A 51 -3.345 -2.082 7.621 1.00 0.00 C ATOM 772 C LEU A 51 -2.345 -1.017 8.075 1.00 0.00 C ATOM 773 O LEU A 51 -1.242 -0.927 7.538 1.00 0.00 O ATOM 774 CB LEU A 51 -3.162 -3.433 8.315 1.00 0.00 C ATOM 775 CG LEU A 51 -4.416 -4.032 8.957 1.00 0.00 C ATOM 776 CD1 LEU A 51 -5.543 -4.172 7.933 1.00 0.00 C ATOM 777 CD2 LEU A 51 -4.098 -5.361 9.645 1.00 0.00 C ATOM 0 H LEU A 51 -2.442 -2.748 5.851 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.336 -1.733 7.910 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.776 -4.145 7.585 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.400 -3.323 9.087 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.766 -3.346 9.728 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.422 -4.600 8.415 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.792 -3.190 7.530 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.219 -4.826 7.123 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.006 -5.765 10.093 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.710 -6.067 8.911 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.351 -5.199 10.422 1.00 0.00 H new ATOM 789 N GLY A 52 -2.767 -0.236 9.059 1.00 0.00 N ATOM 790 CA GLY A 52 -1.922 0.819 9.591 1.00 0.00 C ATOM 791 C GLY A 52 -2.535 2.197 9.330 1.00 0.00 C ATOM 792 O GLY A 52 -3.216 2.750 10.192 1.00 0.00 O ATOM 0 H GLY A 52 -3.683 -0.313 9.501 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.786 0.675 10.663 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.934 0.764 9.134 1.00 0.00 H new ATOM 796 N LEU A 53 -2.272 2.710 8.138 1.00 0.00 N ATOM 797 CA LEU A 53 -2.790 4.012 7.753 1.00 0.00 C ATOM 798 C LEU A 53 -4.243 3.865 7.299 1.00 0.00 C ATOM 799 O LEU A 53 -4.545 3.055 6.424 1.00 0.00 O ATOM 800 CB LEU A 53 -1.882 4.662 6.707 1.00 0.00 C ATOM 801 CG LEU A 53 -0.694 5.458 7.251 1.00 0.00 C ATOM 802 CD1 LEU A 53 -1.125 6.861 7.683 1.00 0.00 C ATOM 803 CD2 LEU A 53 0.003 4.699 8.381 1.00 0.00 C ATOM 0 H LEU A 53 -1.707 2.248 7.426 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.790 4.689 8.607 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.500 3.880 6.051 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.488 5.327 6.092 1.00 0.00 H new ATOM 0 HG LEU A 53 0.033 5.578 6.448 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.262 7.405 8.066 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.540 7.394 6.827 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.881 6.785 8.464 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.844 5.287 8.750 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.703 4.527 9.193 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.366 3.742 8.007 1.00 0.00 H new ATOM 815 N LYS A 54 -5.106 4.660 7.916 1.00 0.00 N ATOM 816 CA LYS A 54 -6.521 4.628 7.586 1.00 0.00 C ATOM 817 C LYS A 54 -7.060 6.059 7.533 1.00 0.00 C ATOM 818 O LYS A 54 -6.376 6.999 7.934 1.00 0.00 O ATOM 819 CB LYS A 54 -7.277 3.721 8.559 1.00 0.00 C ATOM 820 CG LYS A 54 -7.010 2.246 8.255 1.00 0.00 C ATOM 821 CD LYS A 54 -7.066 1.403 9.531 1.00 0.00 C ATOM 822 CE LYS A 54 -7.088 -0.090 9.201 1.00 0.00 C ATOM 823 NZ LYS A 54 -6.907 -0.895 10.430 1.00 0.00 N ATOM 0 H LYS A 54 -4.852 5.330 8.642 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.673 4.193 6.598 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.973 3.946 9.581 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.346 3.922 8.492 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -7.747 1.879 7.540 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.031 2.139 7.787 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.203 1.628 10.158 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.954 1.665 10.106 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.034 -0.349 8.725 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.298 -0.322 8.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.924 -1.906 10.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.994 -0.659 10.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.676 -0.686 11.098 1.00 0.00 H new ATOM 837 N VAL A 55 -8.282 6.178 7.034 1.00 0.00 N ATOM 838 CA VAL A 55 -8.921 7.478 6.923 1.00 0.00 C ATOM 839 C VAL A 55 -10.296 7.424 7.592 1.00 0.00 C ATOM 840 O VAL A 55 -11.247 6.890 7.022 1.00 0.00 O ATOM 841 CB VAL A 55 -8.986 7.906 5.456 1.00 0.00 C ATOM 842 CG1 VAL A 55 -9.849 9.158 5.287 1.00 0.00 C ATOM 843 CG2 VAL A 55 -7.583 8.127 4.887 1.00 0.00 C ATOM 0 H VAL A 55 -8.846 5.396 6.702 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.336 8.237 7.443 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.453 7.099 4.892 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.878 9.440 4.235 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -10.861 8.952 5.636 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.423 9.975 5.870 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.658 8.431 3.843 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.078 8.907 5.457 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.012 7.201 4.956 1.00 0.00 H new ATOM 853 N LYS A 56 -10.358 7.985 8.791 1.00 0.00 N ATOM 854 CA LYS A 56 -11.602 8.008 9.542 1.00 0.00 C ATOM 855 C LYS A 56 -12.303 6.655 9.401 1.00 0.00 C ATOM 856 O LYS A 56 -13.408 6.578 8.865 1.00 0.00 O ATOM 857 CB LYS A 56 -12.465 9.196 9.115 1.00 0.00 C ATOM 858 CG LYS A 56 -11.844 10.518 9.572 1.00 0.00 C ATOM 859 CD LYS A 56 -12.834 11.673 9.412 1.00 0.00 C ATOM 860 CE LYS A 56 -12.218 12.992 9.882 1.00 0.00 C ATOM 861 NZ LYS A 56 -12.091 13.937 8.750 1.00 0.00 N ATOM 0 H LYS A 56 -9.568 8.427 9.261 1.00 0.00 H new ATOM 0 HA LYS A 56 -11.403 8.155 10.604 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.576 9.198 8.031 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.465 9.094 9.538 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -11.538 10.439 10.615 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.945 10.722 8.990 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -13.132 11.759 8.367 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -13.737 11.465 9.985 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -12.838 13.432 10.663 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.237 12.806 10.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.671 14.827 9.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.481 13.521 8.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.032 14.127 8.350 1.00 0.00 H new ATOM 875 N GLY A 57 -11.632 5.623 9.890 1.00 0.00 N ATOM 876 CA GLY A 57 -12.177 4.277 9.825 1.00 0.00 C ATOM 877 C GLY A 57 -11.482 3.456 8.737 1.00 0.00 C ATOM 878 O GLY A 57 -10.575 2.677 9.027 1.00 0.00 O ATOM 0 H GLY A 57 -10.716 5.691 10.333 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -12.056 3.785 10.790 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -13.247 4.323 9.623 1.00 0.00 H new ATOM 882 N LYS A 58 -11.933 3.659 7.508 1.00 0.00 N ATOM 883 CA LYS A 58 -11.365 2.947 6.376 1.00 0.00 C ATOM 884 C LYS A 58 -10.253 3.793 5.752 1.00 0.00 C ATOM 885 O LYS A 58 -10.286 5.020 5.827 1.00 0.00 O ATOM 886 CB LYS A 58 -12.463 2.549 5.387 1.00 0.00 C ATOM 887 CG LYS A 58 -13.075 3.783 4.721 1.00 0.00 C ATOM 888 CD LYS A 58 -13.816 3.403 3.438 1.00 0.00 C ATOM 889 CE LYS A 58 -15.331 3.464 3.642 1.00 0.00 C ATOM 890 NZ LYS A 58 -15.979 4.165 2.510 1.00 0.00 N ATOM 0 H LYS A 58 -12.685 4.306 7.271 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.909 2.013 6.704 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.049 1.888 4.625 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.240 1.989 5.907 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.763 4.270 5.412 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.290 4.504 4.492 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -13.526 4.078 2.633 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -13.527 2.398 3.131 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -15.733 2.455 3.730 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.558 3.980 4.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.007 4.198 2.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -15.608 5.134 2.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -15.778 3.656 1.626 1.00 0.00 H new ATOM 904 N PRO A 59 -9.270 3.085 5.134 1.00 0.00 N ATOM 905 CA PRO A 59 -8.151 3.758 4.497 1.00 0.00 C ATOM 906 C PRO A 59 -8.575 4.394 3.171 1.00 0.00 C ATOM 907 O PRO A 59 -9.604 4.029 2.605 1.00 0.00 O ATOM 908 CB PRO A 59 -7.090 2.683 4.328 1.00 0.00 C ATOM 909 CG PRO A 59 -7.820 1.355 4.448 1.00 0.00 C ATOM 910 CD PRO A 59 -9.199 1.631 5.024 1.00 0.00 C ATOM 0 HA PRO A 59 -7.767 4.588 5.090 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -6.595 2.771 3.361 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -6.317 2.774 5.091 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -7.903 0.876 3.473 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -7.267 0.672 5.093 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -9.984 1.244 4.374 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -9.325 1.154 5.996 1.00 0.00 H new ATOM 918 N ALA A 60 -7.760 5.334 2.715 1.00 0.00 N ATOM 919 CA ALA A 60 -8.038 6.023 1.467 1.00 0.00 C ATOM 920 C ALA A 60 -8.442 5.000 0.403 1.00 0.00 C ATOM 921 O ALA A 60 -8.218 3.803 0.572 1.00 0.00 O ATOM 922 CB ALA A 60 -6.814 6.842 1.052 1.00 0.00 C ATOM 0 H ALA A 60 -6.907 5.634 3.188 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.869 6.717 1.590 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.023 7.359 0.115 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -6.586 7.573 1.827 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.960 6.178 0.917 1.00 0.00 H new ATOM 928 N GLU A 61 -9.031 5.510 -0.669 1.00 0.00 N ATOM 929 CA GLU A 61 -9.469 4.656 -1.759 1.00 0.00 C ATOM 930 C GLU A 61 -8.443 4.677 -2.894 1.00 0.00 C ATOM 931 O GLU A 61 -7.389 5.299 -2.772 1.00 0.00 O ATOM 932 CB GLU A 61 -10.852 5.075 -2.263 1.00 0.00 C ATOM 933 CG GLU A 61 -11.936 4.727 -1.241 1.00 0.00 C ATOM 934 CD GLU A 61 -12.677 3.450 -1.641 1.00 0.00 C ATOM 935 OE1 GLU A 61 -11.982 2.492 -2.043 1.00 0.00 O ATOM 936 OE2 GLU A 61 -13.923 3.460 -1.535 1.00 0.00 O ATOM 0 H GLU A 61 -9.215 6.504 -0.805 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.549 3.635 -1.385 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.862 6.147 -2.459 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.065 4.576 -3.209 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.485 4.597 -0.257 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.644 5.552 -1.161 1.00 0.00 H new ATOM 943 N ASN A 62 -8.788 3.989 -3.973 1.00 0.00 N ATOM 944 CA ASN A 62 -7.910 3.920 -5.129 1.00 0.00 C ATOM 945 C ASN A 62 -8.101 5.174 -5.984 1.00 0.00 C ATOM 946 O ASN A 62 -7.133 5.731 -6.501 1.00 0.00 O ATOM 947 CB ASN A 62 -8.235 2.703 -5.996 1.00 0.00 C ATOM 948 CG ASN A 62 -9.738 2.607 -6.266 1.00 0.00 C ATOM 949 OD1 ASN A 62 -10.529 2.262 -5.404 1.00 0.00 O ATOM 950 ND2 ASN A 62 -10.086 2.933 -7.508 1.00 0.00 N ATOM 0 H ASN A 62 -9.663 3.475 -4.071 1.00 0.00 H new ATOM 0 HA ASN A 62 -6.884 3.842 -4.769 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -7.696 2.771 -6.941 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -7.893 1.796 -5.498 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -11.066 2.903 -7.788 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -9.372 3.213 -8.181 1.00 0.00 H new ATOM 957 N ASP A 63 -9.355 5.583 -6.107 1.00 0.00 N ATOM 958 CA ASP A 63 -9.685 6.761 -6.890 1.00 0.00 C ATOM 959 C ASP A 63 -9.065 7.996 -6.233 1.00 0.00 C ATOM 960 O ASP A 63 -9.014 9.065 -6.838 1.00 0.00 O ATOM 961 CB ASP A 63 -11.199 6.971 -6.958 1.00 0.00 C ATOM 962 CG ASP A 63 -11.662 8.023 -7.968 1.00 0.00 C ATOM 963 OD1 ASP A 63 -11.058 8.063 -9.062 1.00 0.00 O ATOM 964 OD2 ASP A 63 -12.609 8.763 -7.624 1.00 0.00 O ATOM 0 H ASP A 63 -10.155 5.119 -5.677 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.296 6.616 -7.898 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -11.672 6.020 -7.204 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.556 7.257 -5.969 1.00 0.00 H new ATOM 969 N VAL A 64 -8.610 7.806 -5.003 1.00 0.00 N ATOM 970 CA VAL A 64 -7.996 8.891 -4.258 1.00 0.00 C ATOM 971 C VAL A 64 -6.510 8.971 -4.613 1.00 0.00 C ATOM 972 O VAL A 64 -5.907 7.973 -5.005 1.00 0.00 O ATOM 973 CB VAL A 64 -8.243 8.702 -2.759 1.00 0.00 C ATOM 974 CG1 VAL A 64 -7.124 9.342 -1.934 1.00 0.00 C ATOM 975 CG2 VAL A 64 -9.610 9.257 -2.355 1.00 0.00 C ATOM 0 H VAL A 64 -8.654 6.917 -4.504 1.00 0.00 H new ATOM 0 HA VAL A 64 -8.447 9.845 -4.531 1.00 0.00 H new ATOM 0 HB VAL A 64 -8.242 7.632 -2.551 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.324 9.193 -0.873 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -6.171 8.879 -2.192 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -7.079 10.410 -2.149 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.761 9.110 -1.285 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.653 10.322 -2.585 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -10.392 8.735 -2.907 1.00 0.00 H new ATOM 985 N LYS A 65 -5.962 10.168 -4.464 1.00 0.00 N ATOM 986 CA LYS A 65 -4.558 10.392 -4.764 1.00 0.00 C ATOM 987 C LYS A 65 -3.716 10.040 -3.536 1.00 0.00 C ATOM 988 O LYS A 65 -4.251 9.858 -2.444 1.00 0.00 O ATOM 989 CB LYS A 65 -4.339 11.818 -5.272 1.00 0.00 C ATOM 990 CG LYS A 65 -4.067 11.829 -6.778 1.00 0.00 C ATOM 991 CD LYS A 65 -2.602 12.158 -7.068 1.00 0.00 C ATOM 992 CE LYS A 65 -2.486 13.286 -8.096 1.00 0.00 C ATOM 993 NZ LYS A 65 -1.869 14.484 -7.484 1.00 0.00 N ATOM 0 H LYS A 65 -6.465 10.994 -4.139 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.232 9.737 -5.572 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.218 12.425 -5.053 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.500 12.271 -4.744 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.316 10.857 -7.203 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.711 12.563 -7.262 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.102 12.450 -6.145 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.093 11.269 -7.439 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.886 12.954 -8.943 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.474 13.536 -8.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.798 15.240 -8.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.457 14.810 -6.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.918 14.246 -7.136 1.00 0.00 H new ATOM 1007 N LEU A 66 -2.412 9.955 -3.757 1.00 0.00 N ATOM 1008 CA LEU A 66 -1.491 9.628 -2.682 1.00 0.00 C ATOM 1009 C LEU A 66 -0.948 10.922 -2.071 1.00 0.00 C ATOM 1010 O LEU A 66 -0.680 10.981 -0.872 1.00 0.00 O ATOM 1011 CB LEU A 66 -0.400 8.679 -3.181 1.00 0.00 C ATOM 1012 CG LEU A 66 -0.854 7.261 -3.532 1.00 0.00 C ATOM 1013 CD1 LEU A 66 0.080 6.625 -4.563 1.00 0.00 C ATOM 1014 CD2 LEU A 66 -0.989 6.401 -2.273 1.00 0.00 C ATOM 0 H LEU A 66 -1.972 10.107 -4.665 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.009 9.091 -1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.062 9.120 -4.064 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.374 8.613 -2.416 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.842 7.322 -3.988 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.266 5.618 -4.795 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.081 7.226 -5.472 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.091 6.578 -4.158 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.313 5.398 -2.551 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.026 6.344 -1.766 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.725 6.848 -1.604 1.00 0.00 H new ATOM 1026 N GLY A 67 -0.802 11.926 -2.923 1.00 0.00 N ATOM 1027 CA GLY A 67 -0.296 13.214 -2.482 1.00 0.00 C ATOM 1028 C GLY A 67 -1.318 13.931 -1.596 1.00 0.00 C ATOM 1029 O GLY A 67 -0.949 14.591 -0.626 1.00 0.00 O ATOM 0 H GLY A 67 -1.025 11.873 -3.917 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.634 13.074 -1.931 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.063 13.833 -3.348 1.00 0.00 H new ATOM 1033 N ALA A 68 -2.582 13.776 -1.962 1.00 0.00 N ATOM 1034 CA ALA A 68 -3.659 14.399 -1.213 1.00 0.00 C ATOM 1035 C ALA A 68 -3.600 13.932 0.243 1.00 0.00 C ATOM 1036 O ALA A 68 -3.901 14.698 1.157 1.00 0.00 O ATOM 1037 CB ALA A 68 -4.999 14.071 -1.876 1.00 0.00 C ATOM 0 H ALA A 68 -2.884 13.228 -2.767 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.550 15.484 -1.216 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.807 14.539 -1.314 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.002 14.450 -2.898 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.144 12.991 -1.889 1.00 0.00 H new ATOM 1043 N LEU A 69 -3.209 12.678 0.413 1.00 0.00 N ATOM 1044 CA LEU A 69 -3.105 12.100 1.742 1.00 0.00 C ATOM 1045 C LEU A 69 -1.862 12.655 2.440 1.00 0.00 C ATOM 1046 O LEU A 69 -1.791 12.673 3.668 1.00 0.00 O ATOM 1047 CB LEU A 69 -3.137 10.572 1.666 1.00 0.00 C ATOM 1048 CG LEU A 69 -4.523 9.926 1.712 1.00 0.00 C ATOM 1049 CD1 LEU A 69 -5.317 10.418 2.924 1.00 0.00 C ATOM 1050 CD2 LEU A 69 -5.278 10.155 0.401 1.00 0.00 C ATOM 0 H LEU A 69 -2.960 12.046 -0.348 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.965 12.384 2.349 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.645 10.264 0.743 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.545 10.175 2.491 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.395 8.850 1.826 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.298 9.944 2.933 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.782 10.162 3.838 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.438 11.500 2.865 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.260 9.686 0.460 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.397 11.225 0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.716 9.717 -0.424 1.00 0.00 H new ATOM 1062 N LYS A 70 -0.913 13.095 1.627 1.00 0.00 N ATOM 1063 CA LYS A 70 0.323 13.650 2.151 1.00 0.00 C ATOM 1064 C LYS A 70 0.821 12.776 3.304 1.00 0.00 C ATOM 1065 O LYS A 70 0.895 13.229 4.445 1.00 0.00 O ATOM 1066 CB LYS A 70 0.132 15.120 2.532 1.00 0.00 C ATOM 1067 CG LYS A 70 0.824 16.041 1.526 1.00 0.00 C ATOM 1068 CD LYS A 70 2.346 15.908 1.617 1.00 0.00 C ATOM 1069 CE LYS A 70 3.041 17.104 0.964 1.00 0.00 C ATOM 1070 NZ LYS A 70 4.488 16.838 0.803 1.00 0.00 N ATOM 0 H LYS A 70 -0.975 13.078 0.609 1.00 0.00 H new ATOM 0 HA LYS A 70 1.099 13.641 1.385 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.932 15.354 2.572 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.535 15.296 3.529 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.494 15.796 0.516 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.534 17.075 1.714 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.646 15.835 2.662 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.664 14.987 1.129 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.592 17.307 -0.008 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.895 17.995 1.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.945 17.660 0.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.915 16.667 1.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.622 16.000 0.202 1.00 0.00 H new ATOM 1084 N LEU A 71 1.150 11.538 2.966 1.00 0.00 N ATOM 1085 CA LEU A 71 1.639 10.596 3.958 1.00 0.00 C ATOM 1086 C LEU A 71 3.130 10.841 4.197 1.00 0.00 C ATOM 1087 O LEU A 71 3.741 11.672 3.527 1.00 0.00 O ATOM 1088 CB LEU A 71 1.311 9.160 3.541 1.00 0.00 C ATOM 1089 CG LEU A 71 -0.152 8.881 3.191 1.00 0.00 C ATOM 1090 CD1 LEU A 71 -0.260 8.055 1.907 1.00 0.00 C ATOM 1091 CD2 LEU A 71 -0.879 8.218 4.362 1.00 0.00 C ATOM 0 H LEU A 71 1.087 11.165 2.019 1.00 0.00 H new ATOM 0 HA LEU A 71 1.133 10.750 4.911 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.926 8.904 2.678 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.604 8.492 4.351 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.647 9.834 3.004 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.310 7.870 1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.198 8.602 1.083 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.255 7.104 2.042 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.917 8.031 4.087 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.392 7.274 4.605 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.847 8.877 5.230 1.00 0.00 H new ATOM 1103 N LYS A 72 3.673 10.103 5.154 1.00 0.00 N ATOM 1104 CA LYS A 72 5.081 10.231 5.490 1.00 0.00 C ATOM 1105 C LYS A 72 5.906 9.343 4.556 1.00 0.00 C ATOM 1106 O LYS A 72 5.386 8.385 3.985 1.00 0.00 O ATOM 1107 CB LYS A 72 5.306 9.938 6.975 1.00 0.00 C ATOM 1108 CG LYS A 72 4.476 10.879 7.851 1.00 0.00 C ATOM 1109 CD LYS A 72 5.102 12.274 7.904 1.00 0.00 C ATOM 1110 CE LYS A 72 5.945 12.448 9.169 1.00 0.00 C ATOM 1111 NZ LYS A 72 6.018 13.876 9.551 1.00 0.00 N ATOM 0 H LYS A 72 3.163 9.414 5.707 1.00 0.00 H new ATOM 0 HA LYS A 72 5.418 11.256 5.336 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.038 8.904 7.190 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.363 10.050 7.215 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.461 10.947 7.458 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.401 10.472 8.859 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.725 12.431 7.023 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.317 13.030 7.879 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.511 11.869 9.984 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.949 12.059 9.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.594 13.976 10.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.452 14.420 8.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.059 14.236 9.732 1.00 0.00 H new ATOM 1125 N PRO A 73 7.211 9.701 4.427 1.00 0.00 N ATOM 1126 CA PRO A 73 8.113 8.948 3.573 1.00 0.00 C ATOM 1127 C PRO A 73 8.506 7.621 4.225 1.00 0.00 C ATOM 1128 O PRO A 73 8.417 7.473 5.443 1.00 0.00 O ATOM 1129 CB PRO A 73 9.299 9.870 3.341 1.00 0.00 C ATOM 1130 CG PRO A 73 9.234 10.915 4.443 1.00 0.00 C ATOM 1131 CD PRO A 73 7.861 10.829 5.088 1.00 0.00 C ATOM 0 HA PRO A 73 7.655 8.665 2.625 1.00 0.00 H new ATOM 0 HB2 PRO A 73 10.238 9.317 3.381 1.00 0.00 H new ATOM 0 HB3 PRO A 73 9.245 10.336 2.357 1.00 0.00 H new ATOM 0 HG2 PRO A 73 10.015 10.738 5.183 1.00 0.00 H new ATOM 0 HG3 PRO A 73 9.402 11.911 4.034 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.938 10.667 6.163 1.00 0.00 H new ATOM 0 HD3 PRO A 73 7.297 11.751 4.944 1.00 0.00 H new ATOM 1139 N ASN A 74 8.933 6.689 3.386 1.00 0.00 N ATOM 1140 CA ASN A 74 9.340 5.379 3.866 1.00 0.00 C ATOM 1141 C ASN A 74 8.352 4.902 4.932 1.00 0.00 C ATOM 1142 O ASN A 74 8.732 4.191 5.861 1.00 0.00 O ATOM 1143 CB ASN A 74 10.731 5.433 4.500 1.00 0.00 C ATOM 1144 CG ASN A 74 10.905 6.704 5.334 1.00 0.00 C ATOM 1145 OD1 ASN A 74 11.281 7.754 4.841 1.00 0.00 O ATOM 1146 ND2 ASN A 74 10.611 6.550 6.622 1.00 0.00 N ATOM 0 H ASN A 74 9.006 6.815 2.376 1.00 0.00 H new ATOM 0 HA ASN A 74 9.358 4.698 3.015 1.00 0.00 H new ATOM 0 HB2 ASN A 74 10.881 4.557 5.131 1.00 0.00 H new ATOM 0 HB3 ASN A 74 11.492 5.399 3.720 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.695 7.340 7.262 1.00 0.00 H new ATOM 0 HD22 ASN A 74 10.301 5.642 6.969 1.00 0.00 H new ATOM 1153 N THR A 75 7.104 5.312 4.763 1.00 0.00 N ATOM 1154 CA THR A 75 6.059 4.936 5.700 1.00 0.00 C ATOM 1155 C THR A 75 5.815 3.426 5.648 1.00 0.00 C ATOM 1156 O THR A 75 5.163 2.930 4.729 1.00 0.00 O ATOM 1157 CB THR A 75 4.814 5.764 5.377 1.00 0.00 C ATOM 1158 OG1 THR A 75 5.095 7.045 5.936 1.00 0.00 O ATOM 1159 CG2 THR A 75 3.578 5.286 6.143 1.00 0.00 C ATOM 0 H THR A 75 6.793 5.901 3.991 1.00 0.00 H new ATOM 0 HA THR A 75 6.352 5.151 6.727 1.00 0.00 H new ATOM 0 HB THR A 75 4.617 5.720 4.306 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.692 7.742 5.376 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.723 5.907 5.877 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.368 4.249 5.883 1.00 0.00 H new ATOM 0 HG23 THR A 75 3.762 5.361 7.215 1.00 0.00 H new ATOM 1167 N LYS A 76 6.350 2.737 6.645 1.00 0.00 N ATOM 1168 CA LYS A 76 6.199 1.295 6.724 1.00 0.00 C ATOM 1169 C LYS A 76 4.760 0.958 7.122 1.00 0.00 C ATOM 1170 O LYS A 76 4.416 0.989 8.302 1.00 0.00 O ATOM 1171 CB LYS A 76 7.252 0.696 7.659 1.00 0.00 C ATOM 1172 CG LYS A 76 8.659 1.146 7.260 1.00 0.00 C ATOM 1173 CD LYS A 76 9.505 1.457 8.496 1.00 0.00 C ATOM 1174 CE LYS A 76 9.077 2.780 9.135 1.00 0.00 C ATOM 1175 NZ LYS A 76 10.110 3.257 10.081 1.00 0.00 N ATOM 0 H LYS A 76 6.889 3.151 7.405 1.00 0.00 H new ATOM 0 HA LYS A 76 6.376 0.840 5.750 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.047 0.999 8.686 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.192 -0.392 7.630 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.141 0.366 6.672 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.596 2.030 6.626 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.406 0.650 9.222 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.558 1.507 8.217 1.00 0.00 H new ATOM 0 HE2 LYS A 76 8.912 3.528 8.360 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.130 2.648 9.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.804 4.156 10.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.248 2.549 10.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.006 3.402 9.573 1.00 0.00 H new ATOM 1189 N ILE A 77 3.959 0.645 6.114 1.00 0.00 N ATOM 1190 CA ILE A 77 2.566 0.303 6.344 1.00 0.00 C ATOM 1191 C ILE A 77 2.412 -1.219 6.344 1.00 0.00 C ATOM 1192 O ILE A 77 3.329 -1.939 5.953 1.00 0.00 O ATOM 1193 CB ILE A 77 1.666 1.012 5.329 1.00 0.00 C ATOM 1194 CG1 ILE A 77 1.864 0.437 3.925 1.00 0.00 C ATOM 1195 CG2 ILE A 77 1.886 2.526 5.365 1.00 0.00 C ATOM 1196 CD1 ILE A 77 0.656 -0.402 3.501 1.00 0.00 C ATOM 0 H ILE A 77 4.248 0.621 5.136 1.00 0.00 H new ATOM 0 HA ILE A 77 2.244 0.656 7.324 1.00 0.00 H new ATOM 0 HB ILE A 77 0.628 0.831 5.607 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.015 1.249 3.214 1.00 0.00 H new ATOM 0 HG13 ILE A 77 2.764 -0.178 3.903 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.235 3.006 4.635 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.655 2.904 6.361 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.926 2.748 5.125 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.822 -0.799 2.500 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.522 -1.227 4.201 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.238 0.222 3.500 1.00 0.00 H new ATOM 1208 N MET A 78 1.245 -1.663 6.787 1.00 0.00 N ATOM 1209 CA MET A 78 0.959 -3.087 6.844 1.00 0.00 C ATOM 1210 C MET A 78 -0.022 -3.493 5.743 1.00 0.00 C ATOM 1211 O MET A 78 -0.766 -2.658 5.230 1.00 0.00 O ATOM 1212 CB MET A 78 0.366 -3.435 8.210 1.00 0.00 C ATOM 1213 CG MET A 78 1.046 -4.669 8.805 1.00 0.00 C ATOM 1214 SD MET A 78 0.144 -5.233 10.238 1.00 0.00 S ATOM 1215 CE MET A 78 1.474 -5.330 11.424 1.00 0.00 C ATOM 0 H MET A 78 0.487 -1.062 7.110 1.00 0.00 H new ATOM 0 HA MET A 78 1.891 -3.632 6.694 1.00 0.00 H new ATOM 0 HB2 MET A 78 0.483 -2.589 8.887 1.00 0.00 H new ATOM 0 HB3 MET A 78 -0.704 -3.618 8.110 1.00 0.00 H new ATOM 0 HG2 MET A 78 1.094 -5.463 8.060 1.00 0.00 H new ATOM 0 HG3 MET A 78 2.073 -4.430 9.082 1.00 0.00 H new ATOM 0 HE1 MET A 78 1.082 -5.670 12.383 1.00 0.00 H new ATOM 0 HE2 MET A 78 2.227 -6.034 11.070 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.926 -4.346 11.545 1.00 0.00 H new ATOM 1225 N MET A 79 0.008 -4.776 5.411 1.00 0.00 N ATOM 1226 CA MET A 79 -0.870 -5.303 4.380 1.00 0.00 C ATOM 1227 C MET A 79 -1.520 -6.613 4.830 1.00 0.00 C ATOM 1228 O MET A 79 -0.935 -7.364 5.609 1.00 0.00 O ATOM 1229 CB MET A 79 -0.067 -5.544 3.100 1.00 0.00 C ATOM 1230 CG MET A 79 -0.959 -5.427 1.863 1.00 0.00 C ATOM 1231 SD MET A 79 -0.100 -6.053 0.429 1.00 0.00 S ATOM 1232 CE MET A 79 -0.838 -7.674 0.308 1.00 0.00 C ATOM 0 H MET A 79 0.627 -5.466 5.838 1.00 0.00 H new ATOM 0 HA MET A 79 -1.658 -4.574 4.193 1.00 0.00 H new ATOM 0 HB2 MET A 79 0.747 -4.822 3.036 1.00 0.00 H new ATOM 0 HB3 MET A 79 0.388 -6.534 3.133 1.00 0.00 H new ATOM 0 HG2 MET A 79 -1.882 -5.985 2.016 1.00 0.00 H new ATOM 0 HG3 MET A 79 -1.239 -4.386 1.704 1.00 0.00 H new ATOM 0 HE1 MET A 79 -0.074 -8.435 0.467 1.00 0.00 H new ATOM 0 HE2 MET A 79 -1.616 -7.777 1.065 1.00 0.00 H new ATOM 0 HE3 MET A 79 -1.276 -7.801 -0.682 1.00 0.00 H new ATOM 1242 N MET A 80 -2.720 -6.846 4.320 1.00 0.00 N ATOM 1243 CA MET A 80 -3.456 -8.052 4.660 1.00 0.00 C ATOM 1244 C MET A 80 -4.078 -8.684 3.414 1.00 0.00 C ATOM 1245 O MET A 80 -4.284 -8.008 2.407 1.00 0.00 O ATOM 1246 CB MET A 80 -4.558 -7.712 5.665 1.00 0.00 C ATOM 1247 CG MET A 80 -4.168 -8.154 7.077 1.00 0.00 C ATOM 1248 SD MET A 80 -5.555 -7.958 8.183 1.00 0.00 S ATOM 1249 CE MET A 80 -6.816 -8.815 7.255 1.00 0.00 C ATOM 0 H MET A 80 -3.201 -6.220 3.674 1.00 0.00 H new ATOM 0 HA MET A 80 -2.761 -8.768 5.099 1.00 0.00 H new ATOM 0 HB2 MET A 80 -4.746 -6.638 5.655 1.00 0.00 H new ATOM 0 HB3 MET A 80 -5.487 -8.201 5.371 1.00 0.00 H new ATOM 0 HG2 MET A 80 -3.846 -9.195 7.065 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.323 -7.563 7.432 1.00 0.00 H new ATOM 0 HE1 MET A 80 -7.567 -9.209 7.940 1.00 0.00 H new ATOM 0 HE2 MET A 80 -7.288 -8.123 6.557 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.364 -9.637 6.701 1.00 0.00 H new ATOM 1259 N GLY A 81 -4.362 -9.974 3.522 1.00 0.00 N ATOM 1260 CA GLY A 81 -4.957 -10.705 2.416 1.00 0.00 C ATOM 1261 C GLY A 81 -4.082 -11.893 2.010 1.00 0.00 C ATOM 1262 O GLY A 81 -3.043 -12.140 2.620 1.00 0.00 O ATOM 0 H GLY A 81 -4.191 -10.532 4.359 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.948 -11.059 2.701 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.089 -10.038 1.564 1.00 0.00 H new ATOM 1266 N THR A 82 -4.535 -12.596 0.983 1.00 0.00 N ATOM 1267 CA THR A 82 -3.807 -13.752 0.488 1.00 0.00 C ATOM 1268 C THR A 82 -3.760 -13.739 -1.041 1.00 0.00 C ATOM 1269 O THR A 82 -4.336 -12.856 -1.675 1.00 0.00 O ATOM 1270 CB THR A 82 -4.464 -15.008 1.065 1.00 0.00 C ATOM 1271 OG1 THR A 82 -5.860 -14.783 0.886 1.00 0.00 O ATOM 1272 CG2 THR A 82 -4.295 -15.112 2.582 1.00 0.00 C ATOM 0 H THR A 82 -5.397 -12.388 0.480 1.00 0.00 H new ATOM 0 HA THR A 82 -2.767 -13.733 0.814 1.00 0.00 H new ATOM 0 HB THR A 82 -4.037 -15.892 0.591 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.362 -15.550 1.232 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.779 -16.020 2.941 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.234 -15.145 2.828 1.00 0.00 H new ATOM 0 HG23 THR A 82 -4.752 -14.245 3.059 1.00 0.00 H new ATOM 1280 N ARG A 83 -3.070 -14.728 -1.589 1.00 0.00 N ATOM 1281 CA ARG A 83 -2.940 -14.841 -3.031 1.00 0.00 C ATOM 1282 C ARG A 83 -3.524 -16.171 -3.514 1.00 0.00 C ATOM 1283 O ARG A 83 -3.573 -17.141 -2.760 1.00 0.00 O ATOM 1284 CB ARG A 83 -1.475 -14.749 -3.462 1.00 0.00 C ATOM 1285 CG ARG A 83 -0.674 -15.943 -2.941 1.00 0.00 C ATOM 1286 CD ARG A 83 0.656 -16.078 -3.685 1.00 0.00 C ATOM 1287 NE ARG A 83 1.754 -16.309 -2.720 1.00 0.00 N ATOM 1288 CZ ARG A 83 2.953 -16.807 -3.052 1.00 0.00 C ATOM 1289 NH1 ARG A 83 3.216 -17.130 -4.326 1.00 0.00 N ATOM 1290 NH2 ARG A 83 3.890 -16.983 -2.110 1.00 0.00 N ATOM 0 H ARG A 83 -2.595 -15.459 -1.060 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.491 -14.014 -3.479 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.414 -14.712 -4.550 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.039 -13.823 -3.087 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.487 -15.822 -1.874 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.256 -16.856 -3.061 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.604 -16.905 -4.394 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.852 -15.175 -4.263 1.00 0.00 H new ATOM 0 HE ARG A 83 1.588 -16.075 -1.741 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.503 -16.997 -5.043 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.129 -17.509 -4.578 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.691 -16.738 -1.140 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.803 -17.362 -2.363 1.00 0.00 H new