USER MOD reduce.3.24.130724 H: found=0, std=0, add=920, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 918 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 116 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 117 GLN : amide:sc= -0.731 K(o=-0.73,f=-2.2) USER MOD Set 2.1: A 36 SER OG : rot 160:sc= -1.36 USER MOD Set 2.2: A 39 MET CE :methyl 168:sc= -4.13! (180deg=-4.32!) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 8 CYS SG : rot 112:sc= -9.85! USER MOD Single : A 13 SER OG : rot 150:sc= -0.0155 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 18 GLN : amide:sc= -0.468 K(o=-0.47,f=-5!) USER MOD Single : A 20 CYS SG : rot 80:sc= 1.18 USER MOD Single : A 21 GLN : amide:sc= -7.12! C(o=-7.1!,f=-5.1!) USER MOD Single : A 25 SER OG : rot -61:sc= -0.58! USER MOD Single : A 29 TYR OH : rot 70:sc= -0.962 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 32 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.14) USER MOD Single : A 34 CYS SG : rot -120:sc= -1.05 USER MOD Single : A 43 TYR OH : rot 180:sc= -0.0877 USER MOD Single : A 45 GLN : amide:sc= -0.125 K(o=-0.12,f=-1.3!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= -2.16 K(o=-2.2,f=-0.88) USER MOD Single : A 50 GLN : amide:sc= -0.352 X(o=-0.35,f=-0.61) USER MOD Single : A 53 CYS SG : rot 5:sc= -1.04! USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0204 USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 69 GLN : amide:sc= -0.2 X(o=-0.2,f=-0.32) USER MOD Single : A 71 CYS SG : rot 31:sc= -4.94! USER MOD Single : A 99 TYR OH : rot 23:sc= 1.14 USER MOD Single : A 100 HIS : no HD1:sc= -15.3! C(o=-15!,f=-24!) USER MOD Single : A 101 SER OG : rot -170:sc= -2.44! USER MOD Single : A 105 HIS : no HE2:sc= -1.47 X(o=-1.5,f=-1.5) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 110 GLN : amide:sc= -0.0212 K(o=-0.021,f=-1.9!) USER MOD Single : A 113 GLN : amide:sc= 0 K(o=0,f=-0.89!) USER MOD Single : A 133 THR OG1 : rot 180:sc= 0.0884 USER MOD Single : A 134 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 50 N GLN A 4 4.258 3.022 15.886 1.00 0.00 N ATOM 51 CA GLN A 4 4.931 3.205 14.569 1.00 0.00 C ATOM 52 C GLN A 4 3.914 3.147 13.427 1.00 0.00 C ATOM 53 O GLN A 4 2.771 2.774 13.614 1.00 0.00 O ATOM 54 CB GLN A 4 5.914 2.038 14.457 1.00 0.00 C ATOM 55 CG GLN A 4 6.905 2.089 15.621 1.00 0.00 C ATOM 56 CD GLN A 4 7.993 1.035 15.412 1.00 0.00 C ATOM 57 OE1 GLN A 4 7.765 0.029 14.772 1.00 0.00 O ATOM 58 NE2 GLN A 4 9.175 1.225 15.932 1.00 0.00 N ATOM 0 HA GLN A 4 5.428 4.173 14.502 1.00 0.00 H new ATOM 0 HB2 GLN A 4 5.373 1.092 14.468 1.00 0.00 H new ATOM 0 HB3 GLN A 4 6.449 2.089 13.508 1.00 0.00 H new ATOM 0 HG2 GLN A 4 7.353 3.081 15.688 1.00 0.00 H new ATOM 0 HG3 GLN A 4 6.386 1.909 16.562 1.00 0.00 H new ATOM 0 HE21 GLN A 4 9.366 2.071 16.470 1.00 0.00 H new ATOM 0 HE22 GLN A 4 9.908 0.528 15.801 1.00 0.00 H new ATOM 67 N ILE A 5 4.329 3.498 12.243 1.00 0.00 N ATOM 68 CA ILE A 5 3.404 3.453 11.074 1.00 0.00 C ATOM 69 C ILE A 5 3.323 2.024 10.545 1.00 0.00 C ATOM 70 O ILE A 5 4.326 1.364 10.384 1.00 0.00 O ATOM 71 CB ILE A 5 4.039 4.377 10.041 1.00 0.00 C ATOM 72 CG1 ILE A 5 4.148 5.787 10.624 1.00 0.00 C ATOM 73 CG2 ILE A 5 3.175 4.398 8.786 1.00 0.00 C ATOM 74 CD1 ILE A 5 4.932 6.681 9.662 1.00 0.00 C ATOM 0 H ILE A 5 5.275 3.816 12.032 1.00 0.00 H new ATOM 0 HA ILE A 5 2.389 3.763 11.322 1.00 0.00 H new ATOM 0 HB ILE A 5 5.035 4.017 9.784 1.00 0.00 H new ATOM 0 HG12 ILE A 5 3.153 6.200 10.791 1.00 0.00 H new ATOM 0 HG13 ILE A 5 4.646 5.753 11.593 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.626 5.058 8.045 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.102 3.390 8.378 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.178 4.761 9.036 1.00 0.00 H new ATOM 0 HD11 ILE A 5 5.009 7.685 10.079 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.932 6.271 9.517 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.415 6.725 8.703 1.00 0.00 H new ATOM 86 N ALA A 6 2.150 1.526 10.277 1.00 0.00 N ATOM 87 CA ALA A 6 2.058 0.132 9.776 1.00 0.00 C ATOM 88 C ALA A 6 2.113 0.103 8.255 1.00 0.00 C ATOM 89 O ALA A 6 1.209 0.541 7.575 1.00 0.00 O ATOM 90 CB ALA A 6 0.720 -0.389 10.281 1.00 0.00 C ATOM 0 H ALA A 6 1.262 2.018 10.382 1.00 0.00 H new ATOM 0 HA ALA A 6 2.888 -0.482 10.126 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.581 -1.418 9.949 1.00 0.00 H new ATOM 0 HB2 ALA A 6 0.704 -0.354 11.370 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.085 0.231 9.886 1.00 0.00 H new ATOM 96 N ILE A 7 3.171 -0.421 7.723 1.00 0.00 N ATOM 97 CA ILE A 7 3.298 -0.494 6.247 1.00 0.00 C ATOM 98 C ILE A 7 3.410 -1.950 5.798 1.00 0.00 C ATOM 99 O ILE A 7 4.218 -2.711 6.295 1.00 0.00 O ATOM 100 CB ILE A 7 4.570 0.284 5.917 1.00 0.00 C ATOM 101 CG1 ILE A 7 4.407 1.732 6.387 1.00 0.00 C ATOM 102 CG2 ILE A 7 4.816 0.253 4.408 1.00 0.00 C ATOM 103 CD1 ILE A 7 5.653 2.541 6.021 1.00 0.00 C ATOM 0 H ILE A 7 3.958 -0.804 8.247 1.00 0.00 H new ATOM 0 HA ILE A 7 2.431 -0.077 5.734 1.00 0.00 H new ATOM 0 HB ILE A 7 5.421 -0.171 6.424 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.525 2.176 5.925 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.249 1.758 7.465 1.00 0.00 H new ATOM 0 HG21 ILE A 7 5.724 0.809 4.176 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.929 -0.780 4.079 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.970 0.708 3.892 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.531 3.570 6.358 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.526 2.102 6.504 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.791 2.527 4.940 1.00 0.00 H new ATOM 115 N CYS A 8 2.595 -2.337 4.860 1.00 0.00 N ATOM 116 CA CYS A 8 2.623 -3.738 4.356 1.00 0.00 C ATOM 117 C CYS A 8 3.314 -3.781 2.993 1.00 0.00 C ATOM 118 O CYS A 8 2.797 -3.286 2.011 1.00 0.00 O ATOM 119 CB CYS A 8 1.149 -4.118 4.230 1.00 0.00 C ATOM 120 SG CYS A 8 0.989 -5.664 3.308 1.00 0.00 S ATOM 0 H CYS A 8 1.902 -1.736 4.415 1.00 0.00 H new ATOM 0 HA CYS A 8 3.169 -4.419 5.008 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.707 -4.228 5.220 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.602 -3.324 3.723 1.00 0.00 H new ATOM 0 HG CYS A 8 0.562 -6.601 4.102 1.00 0.00 H new ATOM 126 N ILE A 9 4.487 -4.347 2.923 1.00 0.00 N ATOM 127 CA ILE A 9 5.204 -4.386 1.617 1.00 0.00 C ATOM 128 C ILE A 9 5.227 -5.789 1.007 1.00 0.00 C ATOM 129 O ILE A 9 5.441 -6.777 1.683 1.00 0.00 O ATOM 130 CB ILE A 9 6.633 -3.958 1.938 1.00 0.00 C ATOM 131 CG1 ILE A 9 7.460 -3.956 0.641 1.00 0.00 C ATOM 132 CG2 ILE A 9 7.236 -4.952 2.939 1.00 0.00 C ATOM 133 CD1 ILE A 9 8.946 -4.123 0.960 1.00 0.00 C ATOM 0 H ILE A 9 4.977 -4.781 3.706 1.00 0.00 H new ATOM 0 HA ILE A 9 4.708 -3.742 0.891 1.00 0.00 H new ATOM 0 HB ILE A 9 6.639 -2.958 2.371 1.00 0.00 H new ATOM 0 HG12 ILE A 9 7.128 -4.764 -0.011 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.300 -3.023 0.101 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.258 -4.655 3.176 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.639 -4.957 3.851 1.00 0.00 H new ATOM 0 HG23 ILE A 9 7.240 -5.951 2.503 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.520 -4.120 0.033 1.00 0.00 H new ATOM 0 HD12 ILE A 9 9.277 -3.300 1.594 1.00 0.00 H new ATOM 0 HD13 ILE A 9 9.102 -5.068 1.480 1.00 0.00 H new ATOM 145 N TRP A 10 5.051 -5.872 -0.285 1.00 0.00 N ATOM 146 CA TRP A 10 5.110 -7.198 -0.969 1.00 0.00 C ATOM 147 C TRP A 10 6.290 -7.209 -1.941 1.00 0.00 C ATOM 148 O TRP A 10 6.273 -6.545 -2.958 1.00 0.00 O ATOM 149 CB TRP A 10 3.796 -7.343 -1.735 1.00 0.00 C ATOM 150 CG TRP A 10 3.889 -8.533 -2.641 1.00 0.00 C ATOM 151 CD1 TRP A 10 4.786 -9.537 -2.506 1.00 0.00 C ATOM 152 CD2 TRP A 10 3.081 -8.865 -3.812 1.00 0.00 C ATOM 153 NE1 TRP A 10 4.581 -10.463 -3.514 1.00 0.00 N ATOM 154 CE2 TRP A 10 3.542 -10.095 -4.343 1.00 0.00 C ATOM 155 CE3 TRP A 10 2.005 -8.229 -4.455 1.00 0.00 C ATOM 156 CZ2 TRP A 10 2.958 -10.670 -5.475 1.00 0.00 C ATOM 157 CZ3 TRP A 10 1.416 -8.806 -5.595 1.00 0.00 C ATOM 158 CH2 TRP A 10 1.892 -10.025 -6.101 1.00 0.00 C ATOM 0 H TRP A 10 4.869 -5.077 -0.898 1.00 0.00 H new ATOM 0 HA TRP A 10 5.243 -8.017 -0.262 1.00 0.00 H new ATOM 0 HB2 TRP A 10 2.966 -7.463 -1.039 1.00 0.00 H new ATOM 0 HB3 TRP A 10 3.597 -6.442 -2.316 1.00 0.00 H new ATOM 0 HD1 TRP A 10 5.540 -9.605 -1.736 1.00 0.00 H new ATOM 0 HE1 TRP A 10 5.131 -11.314 -3.630 1.00 0.00 H new ATOM 0 HE3 TRP A 10 1.628 -7.292 -4.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 3.330 -11.607 -5.862 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 0.592 -8.307 -6.084 1.00 0.00 H new ATOM 0 HH2 TRP A 10 1.433 -10.463 -6.975 1.00 0.00 H new ATOM 169 N VAL A 11 7.321 -7.945 -1.633 1.00 0.00 N ATOM 170 CA VAL A 11 8.504 -7.981 -2.538 1.00 0.00 C ATOM 171 C VAL A 11 9.058 -9.403 -2.649 1.00 0.00 C ATOM 172 O VAL A 11 9.050 -10.156 -1.697 1.00 0.00 O ATOM 173 CB VAL A 11 9.526 -7.067 -1.870 1.00 0.00 C ATOM 174 CG1 VAL A 11 10.881 -7.229 -2.561 1.00 0.00 C ATOM 175 CG2 VAL A 11 9.051 -5.617 -1.982 1.00 0.00 C ATOM 0 H VAL A 11 7.396 -8.522 -0.795 1.00 0.00 H new ATOM 0 HA VAL A 11 8.256 -7.663 -3.551 1.00 0.00 H new ATOM 0 HB VAL A 11 9.630 -7.332 -0.818 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.613 -6.576 -2.085 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.210 -8.265 -2.478 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.787 -6.961 -3.613 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.778 -4.958 -1.506 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.951 -5.347 -3.033 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.086 -5.511 -1.486 1.00 0.00 H new ATOM 185 N GLU A 12 9.553 -9.771 -3.798 1.00 0.00 N ATOM 186 CA GLU A 12 10.123 -11.139 -3.953 1.00 0.00 C ATOM 187 C GLU A 12 11.652 -11.066 -3.975 1.00 0.00 C ATOM 188 O GLU A 12 12.333 -12.060 -4.130 1.00 0.00 O ATOM 189 CB GLU A 12 9.588 -11.655 -5.288 1.00 0.00 C ATOM 190 CG GLU A 12 8.231 -12.322 -5.070 1.00 0.00 C ATOM 191 CD GLU A 12 8.053 -13.451 -6.086 1.00 0.00 C ATOM 192 OE1 GLU A 12 8.827 -13.498 -7.028 1.00 0.00 O ATOM 193 OE2 GLU A 12 7.149 -14.250 -5.903 1.00 0.00 O ATOM 0 H GLU A 12 9.588 -9.187 -4.633 1.00 0.00 H new ATOM 0 HA GLU A 12 9.844 -11.798 -3.131 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.491 -10.832 -5.996 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.290 -12.367 -5.722 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.166 -12.716 -4.056 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.431 -11.590 -5.179 1.00 0.00 H new ATOM 200 N SER A 13 12.193 -9.888 -3.819 1.00 0.00 N ATOM 201 CA SER A 13 13.676 -9.725 -3.823 1.00 0.00 C ATOM 202 C SER A 13 14.110 -8.983 -2.551 1.00 0.00 C ATOM 203 O SER A 13 13.754 -7.840 -2.344 1.00 0.00 O ATOM 204 CB SER A 13 13.965 -8.880 -5.063 1.00 0.00 C ATOM 205 OG SER A 13 15.361 -8.644 -5.158 1.00 0.00 O ATOM 0 H SER A 13 11.667 -9.024 -3.688 1.00 0.00 H new ATOM 0 HA SER A 13 14.211 -10.675 -3.843 1.00 0.00 H new ATOM 0 HB2 SER A 13 13.610 -9.393 -5.957 1.00 0.00 H new ATOM 0 HB3 SER A 13 13.428 -7.933 -5.005 1.00 0.00 H new ATOM 0 HG SER A 13 15.614 -8.554 -6.100 1.00 0.00 H new ATOM 211 N THR A 14 14.864 -9.620 -1.696 1.00 0.00 N ATOM 212 CA THR A 14 15.297 -8.944 -0.437 1.00 0.00 C ATOM 213 C THR A 14 15.940 -7.589 -0.746 1.00 0.00 C ATOM 214 O THR A 14 15.662 -6.598 -0.098 1.00 0.00 O ATOM 215 CB THR A 14 16.320 -9.891 0.194 1.00 0.00 C ATOM 216 OG1 THR A 14 15.936 -11.234 -0.063 1.00 0.00 O ATOM 217 CG2 THR A 14 16.380 -9.659 1.706 1.00 0.00 C ATOM 0 H THR A 14 15.199 -10.576 -1.813 1.00 0.00 H new ATOM 0 HA THR A 14 14.457 -8.747 0.229 1.00 0.00 H new ATOM 0 HB THR A 14 17.303 -9.700 -0.237 1.00 0.00 H new ATOM 0 HG1 THR A 14 16.590 -11.844 0.338 1.00 0.00 H new ATOM 0 HG21 THR A 14 17.110 -10.336 2.149 1.00 0.00 H new ATOM 0 HG22 THR A 14 16.674 -8.628 1.905 1.00 0.00 H new ATOM 0 HG23 THR A 14 15.399 -9.847 2.142 1.00 0.00 H new ATOM 225 N ALA A 15 16.793 -7.530 -1.732 1.00 0.00 N ATOM 226 CA ALA A 15 17.441 -6.230 -2.070 1.00 0.00 C ATOM 227 C ALA A 15 16.362 -5.175 -2.327 1.00 0.00 C ATOM 228 O ALA A 15 16.411 -4.083 -1.798 1.00 0.00 O ATOM 229 CB ALA A 15 18.255 -6.503 -3.335 1.00 0.00 C ATOM 0 H ALA A 15 17.068 -8.320 -2.315 1.00 0.00 H new ATOM 0 HA ALA A 15 18.075 -5.853 -1.267 1.00 0.00 H new ATOM 0 HB1 ALA A 15 18.762 -5.590 -3.645 1.00 0.00 H new ATOM 0 HB2 ALA A 15 18.995 -7.278 -3.132 1.00 0.00 H new ATOM 0 HB3 ALA A 15 17.589 -6.837 -4.131 1.00 0.00 H new ATOM 235 N ILE A 16 15.373 -5.505 -3.114 1.00 0.00 N ATOM 236 CA ILE A 16 14.275 -4.531 -3.377 1.00 0.00 C ATOM 237 C ILE A 16 13.466 -4.341 -2.093 1.00 0.00 C ATOM 238 O ILE A 16 13.100 -3.239 -1.730 1.00 0.00 O ATOM 239 CB ILE A 16 13.424 -5.175 -4.475 1.00 0.00 C ATOM 240 CG1 ILE A 16 14.086 -4.944 -5.838 1.00 0.00 C ATOM 241 CG2 ILE A 16 12.025 -4.559 -4.475 1.00 0.00 C ATOM 242 CD1 ILE A 16 13.669 -6.053 -6.807 1.00 0.00 C ATOM 0 H ILE A 16 15.278 -6.405 -3.585 1.00 0.00 H new ATOM 0 HA ILE A 16 14.635 -3.550 -3.686 1.00 0.00 H new ATOM 0 HB ILE A 16 13.344 -6.246 -4.286 1.00 0.00 H new ATOM 0 HG12 ILE A 16 13.794 -3.972 -6.235 1.00 0.00 H new ATOM 0 HG13 ILE A 16 15.170 -4.931 -5.729 1.00 0.00 H new ATOM 0 HG21 ILE A 16 11.424 -5.021 -5.258 1.00 0.00 H new ATOM 0 HG22 ILE A 16 11.553 -4.729 -3.507 1.00 0.00 H new ATOM 0 HG23 ILE A 16 12.099 -3.487 -4.659 1.00 0.00 H new ATOM 0 HD11 ILE A 16 14.141 -5.887 -7.775 1.00 0.00 H new ATOM 0 HD12 ILE A 16 13.983 -7.019 -6.411 1.00 0.00 H new ATOM 0 HD13 ILE A 16 12.585 -6.044 -6.925 1.00 0.00 H new ATOM 254 N LEU A 17 13.210 -5.411 -1.389 1.00 0.00 N ATOM 255 CA LEU A 17 12.454 -5.305 -0.110 1.00 0.00 C ATOM 256 C LEU A 17 13.267 -4.473 0.880 1.00 0.00 C ATOM 257 O LEU A 17 12.732 -3.737 1.687 1.00 0.00 O ATOM 258 CB LEU A 17 12.308 -6.754 0.377 1.00 0.00 C ATOM 259 CG LEU A 17 12.100 -6.811 1.901 1.00 0.00 C ATOM 260 CD1 LEU A 17 13.447 -6.671 2.614 1.00 0.00 C ATOM 261 CD2 LEU A 17 11.167 -5.686 2.361 1.00 0.00 C ATOM 0 H LEU A 17 13.493 -6.356 -1.647 1.00 0.00 H new ATOM 0 HA LEU A 17 11.483 -4.822 -0.220 1.00 0.00 H new ATOM 0 HB2 LEU A 17 11.464 -7.226 -0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.198 -7.322 0.107 1.00 0.00 H new ATOM 0 HG LEU A 17 11.648 -7.771 2.150 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.294 -6.712 3.692 1.00 0.00 H new ATOM 0 HD12 LEU A 17 14.106 -7.484 2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.902 -5.717 2.348 1.00 0.00 H new ATOM 0 HD21 LEU A 17 11.033 -5.744 3.441 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.604 -4.722 2.101 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.200 -5.791 1.869 1.00 0.00 H new ATOM 273 N GLN A 18 14.564 -4.585 0.807 1.00 0.00 N ATOM 274 CA GLN A 18 15.440 -3.802 1.728 1.00 0.00 C ATOM 275 C GLN A 18 15.405 -2.320 1.354 1.00 0.00 C ATOM 276 O GLN A 18 15.369 -1.456 2.207 1.00 0.00 O ATOM 277 CB GLN A 18 16.845 -4.378 1.534 1.00 0.00 C ATOM 278 CG GLN A 18 16.951 -5.723 2.261 1.00 0.00 C ATOM 279 CD GLN A 18 18.293 -6.386 1.937 1.00 0.00 C ATOM 280 OE1 GLN A 18 18.504 -6.849 0.835 1.00 0.00 O ATOM 281 NE2 GLN A 18 19.214 -6.453 2.859 1.00 0.00 N ATOM 0 H GLN A 18 15.058 -5.186 0.148 1.00 0.00 H new ATOM 0 HA GLN A 18 15.116 -3.874 2.766 1.00 0.00 H new ATOM 0 HB2 GLN A 18 17.052 -4.509 0.472 1.00 0.00 H new ATOM 0 HB3 GLN A 18 17.591 -3.684 1.921 1.00 0.00 H new ATOM 0 HG2 GLN A 18 16.860 -5.573 3.337 1.00 0.00 H new ATOM 0 HG3 GLN A 18 16.131 -6.375 1.959 1.00 0.00 H new ATOM 0 HE21 GLN A 18 19.038 -6.064 3.785 1.00 0.00 H new ATOM 0 HE22 GLN A 18 20.110 -6.894 2.653 1.00 0.00 H new ATOM 290 N ASP A 19 15.411 -2.019 0.084 1.00 0.00 N ATOM 291 CA ASP A 19 15.375 -0.592 -0.340 1.00 0.00 C ATOM 292 C ASP A 19 14.082 0.060 0.157 1.00 0.00 C ATOM 293 O ASP A 19 14.082 1.176 0.640 1.00 0.00 O ATOM 294 CB ASP A 19 15.399 -0.638 -1.867 1.00 0.00 C ATOM 295 CG ASP A 19 16.748 -1.177 -2.347 1.00 0.00 C ATOM 296 OD1 ASP A 19 17.600 -1.420 -1.509 1.00 0.00 O ATOM 297 OD2 ASP A 19 16.904 -1.340 -3.546 1.00 0.00 O ATOM 0 H ASP A 19 15.439 -2.698 -0.676 1.00 0.00 H new ATOM 0 HA ASP A 19 16.205 -0.012 0.062 1.00 0.00 H new ATOM 0 HB2 ASP A 19 14.592 -1.272 -2.234 1.00 0.00 H new ATOM 0 HB3 ASP A 19 15.230 0.359 -2.273 1.00 0.00 H new ATOM 302 N CYS A 20 12.982 -0.636 0.047 1.00 0.00 N ATOM 303 CA CYS A 20 11.689 -0.065 0.517 1.00 0.00 C ATOM 304 C CYS A 20 11.753 0.199 2.022 1.00 0.00 C ATOM 305 O CYS A 20 11.267 1.200 2.509 1.00 0.00 O ATOM 306 CB CYS A 20 10.647 -1.141 0.215 1.00 0.00 C ATOM 307 SG CYS A 20 10.607 -1.463 -1.565 1.00 0.00 S ATOM 0 H CYS A 20 12.924 -1.575 -0.348 1.00 0.00 H new ATOM 0 HA CYS A 20 11.453 0.881 0.030 1.00 0.00 H new ATOM 0 HB2 CYS A 20 10.888 -2.057 0.755 1.00 0.00 H new ATOM 0 HB3 CYS A 20 9.665 -0.817 0.559 1.00 0.00 H new ATOM 0 HG CYS A 20 11.597 -2.242 -1.887 1.00 0.00 H new ATOM 313 N GLN A 21 12.356 -0.692 2.760 1.00 0.00 N ATOM 314 CA GLN A 21 12.457 -0.489 4.230 1.00 0.00 C ATOM 315 C GLN A 21 13.511 0.570 4.540 1.00 0.00 C ATOM 316 O GLN A 21 13.325 1.423 5.376 1.00 0.00 O ATOM 317 CB GLN A 21 12.882 -1.834 4.785 1.00 0.00 C ATOM 318 CG GLN A 21 11.721 -2.798 4.627 1.00 0.00 C ATOM 319 CD GLN A 21 12.107 -4.150 5.193 1.00 0.00 C ATOM 320 OE1 GLN A 21 13.251 -4.389 5.523 1.00 0.00 O ATOM 321 NE2 GLN A 21 11.191 -5.052 5.315 1.00 0.00 N ATOM 0 H GLN A 21 12.782 -1.550 2.408 1.00 0.00 H new ATOM 0 HA GLN A 21 11.518 -0.146 4.665 1.00 0.00 H new ATOM 0 HB2 GLN A 21 13.759 -2.205 4.255 1.00 0.00 H new ATOM 0 HB3 GLN A 21 13.160 -1.742 5.835 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.842 -2.413 5.144 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.455 -2.895 3.574 1.00 0.00 H new ATOM 0 HE21 GLN A 21 10.232 -4.846 5.036 1.00 0.00 H new ATOM 0 HE22 GLN A 21 11.427 -5.971 5.690 1.00 0.00 H new ATOM 330 N ARG A 22 14.619 0.517 3.863 1.00 0.00 N ATOM 331 CA ARG A 22 15.694 1.514 4.106 1.00 0.00 C ATOM 332 C ARG A 22 15.119 2.928 4.128 1.00 0.00 C ATOM 333 O ARG A 22 15.323 3.687 5.055 1.00 0.00 O ATOM 334 CB ARG A 22 16.616 1.364 2.905 1.00 0.00 C ATOM 335 CG ARG A 22 17.545 0.169 3.112 1.00 0.00 C ATOM 336 CD ARG A 22 18.193 -0.204 1.778 1.00 0.00 C ATOM 337 NE ARG A 22 19.640 -0.376 2.087 1.00 0.00 N ATOM 338 CZ ARG A 22 20.044 -1.415 2.764 1.00 0.00 C ATOM 339 NH1 ARG A 22 19.182 -2.306 3.177 1.00 0.00 N ATOM 340 NH2 ARG A 22 21.312 -1.566 3.030 1.00 0.00 N ATOM 0 H ARG A 22 14.828 -0.178 3.147 1.00 0.00 H new ATOM 0 HA ARG A 22 16.196 1.355 5.060 1.00 0.00 H new ATOM 0 HB2 ARG A 22 16.027 1.226 1.998 1.00 0.00 H new ATOM 0 HB3 ARG A 22 17.202 2.273 2.769 1.00 0.00 H new ATOM 0 HG2 ARG A 22 18.312 0.413 3.847 1.00 0.00 H new ATOM 0 HG3 ARG A 22 16.984 -0.678 3.507 1.00 0.00 H new ATOM 0 HD2 ARG A 22 17.764 -1.121 1.374 1.00 0.00 H new ATOM 0 HD3 ARG A 22 18.039 0.576 1.032 1.00 0.00 H new ATOM 0 HE ARG A 22 20.315 0.319 1.769 1.00 0.00 H new ATOM 0 HH11 ARG A 22 18.190 -2.190 2.970 1.00 0.00 H new ATOM 0 HH12 ARG A 22 19.501 -3.117 3.706 1.00 0.00 H new ATOM 0 HH21 ARG A 22 21.987 -0.872 2.709 1.00 0.00 H new ATOM 0 HH22 ARG A 22 21.629 -2.378 3.559 1.00 0.00 H new ATOM 354 N ALA A 23 14.414 3.284 3.099 1.00 0.00 N ATOM 355 CA ALA A 23 13.832 4.647 3.027 1.00 0.00 C ATOM 356 C ALA A 23 12.714 4.818 4.067 1.00 0.00 C ATOM 357 O ALA A 23 12.692 5.777 4.811 1.00 0.00 O ATOM 358 CB ALA A 23 13.272 4.728 1.607 1.00 0.00 C ATOM 0 H ALA A 23 14.214 2.685 2.298 1.00 0.00 H new ATOM 0 HA ALA A 23 14.560 5.430 3.238 1.00 0.00 H new ATOM 0 HB1 ALA A 23 12.816 5.706 1.451 1.00 0.00 H new ATOM 0 HB2 ALA A 23 14.079 4.586 0.889 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.521 3.951 1.467 1.00 0.00 H new ATOM 364 N LEU A 24 11.781 3.906 4.112 1.00 0.00 N ATOM 365 CA LEU A 24 10.654 4.025 5.090 1.00 0.00 C ATOM 366 C LEU A 24 11.100 3.762 6.528 1.00 0.00 C ATOM 367 O LEU A 24 10.568 4.329 7.457 1.00 0.00 O ATOM 368 CB LEU A 24 9.658 2.966 4.635 1.00 0.00 C ATOM 369 CG LEU A 24 9.132 3.370 3.267 1.00 0.00 C ATOM 370 CD1 LEU A 24 8.077 2.380 2.800 1.00 0.00 C ATOM 371 CD2 LEU A 24 8.517 4.762 3.366 1.00 0.00 C ATOM 0 H LEU A 24 11.748 3.081 3.514 1.00 0.00 H new ATOM 0 HA LEU A 24 10.238 5.032 5.102 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.138 1.989 4.585 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.838 2.883 5.349 1.00 0.00 H new ATOM 0 HG LEU A 24 9.952 3.375 2.549 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.707 2.678 1.819 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.516 1.384 2.735 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.251 2.366 3.511 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.136 5.062 2.390 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.699 4.748 4.086 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.276 5.473 3.693 1.00 0.00 H new ATOM 383 N SER A 25 12.048 2.895 6.712 1.00 0.00 N ATOM 384 CA SER A 25 12.529 2.560 8.086 1.00 0.00 C ATOM 385 C SER A 25 12.805 3.821 8.905 1.00 0.00 C ATOM 386 O SER A 25 13.934 4.252 9.042 1.00 0.00 O ATOM 387 CB SER A 25 13.823 1.775 7.871 1.00 0.00 C ATOM 388 OG SER A 25 14.715 2.547 7.078 1.00 0.00 O ATOM 0 H SER A 25 12.521 2.393 5.961 1.00 0.00 H new ATOM 0 HA SER A 25 11.782 1.993 8.642 1.00 0.00 H new ATOM 0 HB2 SER A 25 14.283 1.539 8.831 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.609 0.826 7.379 1.00 0.00 H new ATOM 0 HG SER A 25 14.307 2.724 6.205 1.00 0.00 H new ATOM 394 N ALA A 26 11.787 4.404 9.465 1.00 0.00 N ATOM 395 CA ALA A 26 11.986 5.619 10.294 1.00 0.00 C ATOM 396 C ALA A 26 12.032 5.210 11.759 1.00 0.00 C ATOM 397 O ALA A 26 11.993 4.042 12.089 1.00 0.00 O ATOM 398 CB ALA A 26 10.757 6.494 10.028 1.00 0.00 C ATOM 0 H ALA A 26 10.820 4.089 9.384 1.00 0.00 H new ATOM 0 HA ALA A 26 12.911 6.146 10.059 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.833 7.414 10.608 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.707 6.738 8.967 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.856 5.954 10.319 1.00 0.00 H new ATOM 404 N ASP A 27 12.085 6.156 12.645 1.00 0.00 N ATOM 405 CA ASP A 27 12.096 5.805 14.086 1.00 0.00 C ATOM 406 C ASP A 27 10.697 5.332 14.491 1.00 0.00 C ATOM 407 O ASP A 27 10.450 4.988 15.631 1.00 0.00 O ATOM 408 CB ASP A 27 12.460 7.101 14.806 1.00 0.00 C ATOM 409 CG ASP A 27 11.398 8.162 14.511 1.00 0.00 C ATOM 410 OD1 ASP A 27 10.228 7.873 14.704 1.00 0.00 O ATOM 411 OD2 ASP A 27 11.773 9.246 14.093 1.00 0.00 O ATOM 0 H ASP A 27 12.121 7.154 12.436 1.00 0.00 H new ATOM 0 HA ASP A 27 12.798 5.007 14.328 1.00 0.00 H new ATOM 0 HB2 ASP A 27 12.527 6.927 15.880 1.00 0.00 H new ATOM 0 HB3 ASP A 27 13.439 7.450 14.478 1.00 0.00 H new ATOM 416 N ARG A 28 9.771 5.334 13.562 1.00 0.00 N ATOM 417 CA ARG A 28 8.388 4.909 13.889 1.00 0.00 C ATOM 418 C ARG A 28 7.740 4.150 12.723 1.00 0.00 C ATOM 419 O ARG A 28 6.598 4.388 12.388 1.00 0.00 O ATOM 420 CB ARG A 28 7.651 6.222 14.133 1.00 0.00 C ATOM 421 CG ARG A 28 7.772 7.126 12.902 1.00 0.00 C ATOM 422 CD ARG A 28 6.606 8.119 12.895 1.00 0.00 C ATOM 423 NE ARG A 28 7.237 9.469 12.815 1.00 0.00 N ATOM 424 CZ ARG A 28 7.747 10.025 13.885 1.00 0.00 C ATOM 425 NH1 ARG A 28 7.735 9.386 15.023 1.00 0.00 N ATOM 426 NH2 ARG A 28 8.266 11.222 13.814 1.00 0.00 N ATOM 0 H ARG A 28 9.921 5.613 12.592 1.00 0.00 H new ATOM 0 HA ARG A 28 8.360 4.230 14.742 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.601 6.025 14.348 1.00 0.00 H new ATOM 0 HB3 ARG A 28 8.066 6.725 15.006 1.00 0.00 H new ATOM 0 HG2 ARG A 28 8.722 7.661 12.920 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.761 6.526 11.992 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.945 7.943 12.046 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.001 8.021 13.796 1.00 0.00 H new ATOM 0 HE ARG A 28 7.271 9.961 11.922 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.328 8.452 15.079 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.133 9.820 15.856 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.274 11.723 12.925 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.663 11.656 14.647 1.00 0.00 H new ATOM 440 N TYR A 29 8.442 3.241 12.097 1.00 0.00 N ATOM 441 CA TYR A 29 7.827 2.495 10.961 1.00 0.00 C ATOM 442 C TYR A 29 7.603 1.024 11.323 1.00 0.00 C ATOM 443 O TYR A 29 8.478 0.358 11.839 1.00 0.00 O ATOM 444 CB TYR A 29 8.840 2.599 9.822 1.00 0.00 C ATOM 445 CG TYR A 29 8.452 3.721 8.890 1.00 0.00 C ATOM 446 CD1 TYR A 29 8.404 5.037 9.356 1.00 0.00 C ATOM 447 CD2 TYR A 29 8.151 3.444 7.555 1.00 0.00 C ATOM 448 CE1 TYR A 29 8.055 6.080 8.487 1.00 0.00 C ATOM 449 CE2 TYR A 29 7.801 4.480 6.691 1.00 0.00 C ATOM 450 CZ TYR A 29 7.750 5.798 7.153 1.00 0.00 C ATOM 451 OH TYR A 29 7.407 6.820 6.291 1.00 0.00 O ATOM 0 H TYR A 29 9.404 2.986 12.320 1.00 0.00 H new ATOM 0 HA TYR A 29 6.853 2.906 10.696 1.00 0.00 H new ATOM 0 HB2 TYR A 29 9.837 2.778 10.225 1.00 0.00 H new ATOM 0 HB3 TYR A 29 8.882 1.658 9.274 1.00 0.00 H new ATOM 0 HD1 TYR A 29 8.636 5.251 10.389 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.189 2.428 7.192 1.00 0.00 H new ATOM 0 HE1 TYR A 29 8.022 7.098 8.847 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.568 4.263 5.659 1.00 0.00 H new ATOM 0 HH TYR A 29 8.195 7.373 6.109 1.00 0.00 H new ATOM 461 N GLN A 30 6.444 0.506 11.023 1.00 0.00 N ATOM 462 CA GLN A 30 6.169 -0.927 11.308 1.00 0.00 C ATOM 463 C GLN A 30 5.980 -1.653 9.978 1.00 0.00 C ATOM 464 O GLN A 30 4.889 -1.730 9.448 1.00 0.00 O ATOM 465 CB GLN A 30 4.878 -0.943 12.128 1.00 0.00 C ATOM 466 CG GLN A 30 4.420 -2.391 12.313 1.00 0.00 C ATOM 467 CD GLN A 30 3.141 -2.430 13.152 1.00 0.00 C ATOM 468 OE1 GLN A 30 2.802 -1.467 13.809 1.00 0.00 O ATOM 469 NE2 GLN A 30 2.414 -3.514 13.160 1.00 0.00 N ATOM 0 H GLN A 30 5.674 1.017 10.591 1.00 0.00 H new ATOM 0 HA GLN A 30 6.976 -1.420 11.851 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.043 -0.474 13.098 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.104 -0.366 11.622 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.242 -2.852 11.342 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.204 -2.970 12.802 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.699 -4.323 12.608 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.561 -3.552 13.718 1.00 0.00 H new ATOM 478 N LEU A 31 7.045 -2.150 9.412 1.00 0.00 N ATOM 479 CA LEU A 31 6.943 -2.829 8.093 1.00 0.00 C ATOM 480 C LEU A 31 6.736 -4.334 8.232 1.00 0.00 C ATOM 481 O LEU A 31 7.395 -5.001 9.005 1.00 0.00 O ATOM 482 CB LEU A 31 8.290 -2.569 7.420 1.00 0.00 C ATOM 483 CG LEU A 31 8.683 -1.103 7.592 1.00 0.00 C ATOM 484 CD1 LEU A 31 10.059 -0.869 6.965 1.00 0.00 C ATOM 485 CD2 LEU A 31 7.650 -0.221 6.898 1.00 0.00 C ATOM 0 H LEU A 31 7.984 -2.114 9.809 1.00 0.00 H new ATOM 0 HA LEU A 31 6.090 -2.452 7.530 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.054 -3.213 7.855 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.231 -2.817 6.360 1.00 0.00 H new ATOM 0 HG LEU A 31 8.721 -0.855 8.653 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.341 0.177 7.087 1.00 0.00 H new ATOM 0 HD12 LEU A 31 10.796 -1.503 7.458 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.021 -1.113 5.903 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.926 0.827 7.018 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.615 -0.468 5.837 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.669 -0.391 7.342 1.00 0.00 H new ATOM 497 N GLN A 32 5.856 -4.872 7.437 1.00 0.00 N ATOM 498 CA GLN A 32 5.623 -6.338 7.445 1.00 0.00 C ATOM 499 C GLN A 32 5.941 -6.856 6.046 1.00 0.00 C ATOM 500 O GLN A 32 5.444 -6.345 5.061 1.00 0.00 O ATOM 501 CB GLN A 32 4.147 -6.531 7.785 1.00 0.00 C ATOM 502 CG GLN A 32 3.755 -7.992 7.537 1.00 0.00 C ATOM 503 CD GLN A 32 4.510 -8.906 8.506 1.00 0.00 C ATOM 504 OE1 GLN A 32 4.434 -8.731 9.706 1.00 0.00 O ATOM 505 NE2 GLN A 32 5.237 -9.884 8.031 1.00 0.00 N ATOM 0 H GLN A 32 5.282 -4.350 6.775 1.00 0.00 H new ATOM 0 HA GLN A 32 6.241 -6.874 8.165 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.964 -6.266 8.826 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.532 -5.869 7.175 1.00 0.00 H new ATOM 0 HG2 GLN A 32 2.680 -8.117 7.669 1.00 0.00 H new ATOM 0 HG3 GLN A 32 3.984 -8.270 6.508 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.300 -10.030 7.023 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.741 -10.501 8.668 1.00 0.00 H new ATOM 514 N VAL A 33 6.794 -7.827 5.938 1.00 0.00 N ATOM 515 CA VAL A 33 7.169 -8.318 4.586 1.00 0.00 C ATOM 516 C VAL A 33 6.469 -9.635 4.240 1.00 0.00 C ATOM 517 O VAL A 33 6.484 -10.585 4.999 1.00 0.00 O ATOM 518 CB VAL A 33 8.678 -8.510 4.663 1.00 0.00 C ATOM 519 CG1 VAL A 33 9.208 -8.927 3.293 1.00 0.00 C ATOM 520 CG2 VAL A 33 9.323 -7.189 5.086 1.00 0.00 C ATOM 0 H VAL A 33 7.247 -8.301 6.719 1.00 0.00 H new ATOM 0 HA VAL A 33 6.870 -7.620 3.804 1.00 0.00 H new ATOM 0 HB VAL A 33 8.918 -9.286 5.390 1.00 0.00 H new ATOM 0 HG11 VAL A 33 10.288 -9.065 3.347 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.738 -9.863 2.990 1.00 0.00 H new ATOM 0 HG13 VAL A 33 8.977 -8.152 2.562 1.00 0.00 H new ATOM 0 HG21 VAL A 33 10.404 -7.314 5.145 1.00 0.00 H new ATOM 0 HG22 VAL A 33 9.086 -6.417 4.353 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.939 -6.893 6.062 1.00 0.00 H new ATOM 530 N CYS A 34 5.861 -9.690 3.086 1.00 0.00 N ATOM 531 CA CYS A 34 5.159 -10.935 2.658 1.00 0.00 C ATOM 532 C CYS A 34 5.826 -11.519 1.407 1.00 0.00 C ATOM 533 O CYS A 34 5.993 -10.847 0.408 1.00 0.00 O ATOM 534 CB CYS A 34 3.731 -10.489 2.351 1.00 0.00 C ATOM 535 SG CYS A 34 2.909 -10.020 3.893 1.00 0.00 S ATOM 0 H CYS A 34 5.820 -8.921 2.417 1.00 0.00 H new ATOM 0 HA CYS A 34 5.190 -11.714 3.420 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.741 -9.646 1.660 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.183 -11.295 1.863 1.00 0.00 H new ATOM 0 HG CYS A 34 1.863 -10.770 4.072 1.00 0.00 H new ATOM 541 N GLU A 35 6.218 -12.763 1.465 1.00 0.00 N ATOM 542 CA GLU A 35 6.889 -13.401 0.292 1.00 0.00 C ATOM 543 C GLU A 35 5.953 -13.485 -0.924 1.00 0.00 C ATOM 544 O GLU A 35 6.397 -13.460 -2.056 1.00 0.00 O ATOM 545 CB GLU A 35 7.237 -14.816 0.756 1.00 0.00 C ATOM 546 CG GLU A 35 8.162 -14.761 1.969 1.00 0.00 C ATOM 547 CD GLU A 35 8.735 -16.157 2.221 1.00 0.00 C ATOM 548 OE1 GLU A 35 8.391 -17.059 1.473 1.00 0.00 O ATOM 549 OE2 GLU A 35 9.506 -16.302 3.154 1.00 0.00 O ATOM 0 H GLU A 35 6.103 -13.369 2.277 1.00 0.00 H new ATOM 0 HA GLU A 35 7.759 -12.822 -0.019 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.326 -15.358 1.009 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.719 -15.364 -0.054 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.968 -14.049 1.796 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.614 -14.415 2.845 1.00 0.00 H new ATOM 556 N SER A 36 4.671 -13.619 -0.708 1.00 0.00 N ATOM 557 CA SER A 36 3.736 -13.747 -1.867 1.00 0.00 C ATOM 558 C SER A 36 2.657 -12.664 -1.838 1.00 0.00 C ATOM 559 O SER A 36 2.737 -11.704 -1.095 1.00 0.00 O ATOM 560 CB SER A 36 3.104 -15.127 -1.708 1.00 0.00 C ATOM 561 OG SER A 36 2.478 -15.207 -0.434 1.00 0.00 O ATOM 0 H SER A 36 4.232 -13.645 0.213 1.00 0.00 H new ATOM 0 HA SER A 36 4.258 -13.630 -2.817 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.373 -15.299 -2.498 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.864 -15.902 -1.803 1.00 0.00 H new ATOM 0 HG SER A 36 1.816 -15.929 -0.440 1.00 0.00 H new ATOM 567 N GLY A 37 1.630 -12.827 -2.634 1.00 0.00 N ATOM 568 CA GLY A 37 0.527 -11.831 -2.646 1.00 0.00 C ATOM 569 C GLY A 37 -0.604 -12.421 -1.832 1.00 0.00 C ATOM 570 O GLY A 37 -1.384 -11.728 -1.213 1.00 0.00 O ATOM 0 H GLY A 37 1.512 -13.611 -3.276 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.857 -10.884 -2.220 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.203 -11.626 -3.666 1.00 0.00 H new ATOM 574 N GLU A 38 -0.660 -13.718 -1.803 1.00 0.00 N ATOM 575 CA GLU A 38 -1.688 -14.406 -1.008 1.00 0.00 C ATOM 576 C GLU A 38 -1.383 -14.155 0.461 1.00 0.00 C ATOM 577 O GLU A 38 -2.259 -13.905 1.269 1.00 0.00 O ATOM 578 CB GLU A 38 -1.514 -15.874 -1.379 1.00 0.00 C ATOM 579 CG GLU A 38 -1.977 -16.092 -2.821 1.00 0.00 C ATOM 580 CD GLU A 38 -1.941 -17.586 -3.147 1.00 0.00 C ATOM 581 OE1 GLU A 38 -1.683 -18.362 -2.241 1.00 0.00 O ATOM 582 OE2 GLU A 38 -2.174 -17.929 -4.294 1.00 0.00 O ATOM 0 H GLU A 38 -0.023 -14.335 -2.307 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.710 -14.073 -1.191 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.469 -16.166 -1.273 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.091 -16.503 -0.701 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.987 -15.704 -2.953 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.333 -15.543 -3.508 1.00 0.00 H new ATOM 589 N MET A 39 -0.124 -14.184 0.801 1.00 0.00 N ATOM 590 CA MET A 39 0.265 -13.911 2.202 1.00 0.00 C ATOM 591 C MET A 39 -0.035 -12.443 2.512 1.00 0.00 C ATOM 592 O MET A 39 -0.480 -12.098 3.590 1.00 0.00 O ATOM 593 CB MET A 39 1.770 -14.190 2.276 1.00 0.00 C ATOM 594 CG MET A 39 1.997 -15.665 2.612 1.00 0.00 C ATOM 595 SD MET A 39 3.355 -15.812 3.804 1.00 0.00 S ATOM 596 CE MET A 39 4.691 -15.347 2.678 1.00 0.00 C ATOM 0 H MET A 39 0.648 -14.385 0.165 1.00 0.00 H new ATOM 0 HA MET A 39 -0.276 -14.524 2.922 1.00 0.00 H new ATOM 0 HB2 MET A 39 2.244 -13.945 1.325 1.00 0.00 H new ATOM 0 HB3 MET A 39 2.232 -13.558 3.034 1.00 0.00 H new ATOM 0 HG2 MET A 39 1.087 -16.099 3.026 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.232 -16.223 1.706 1.00 0.00 H new ATOM 0 HE1 MET A 39 5.601 -15.163 3.249 1.00 0.00 H new ATOM 0 HE2 MET A 39 4.866 -16.155 1.968 1.00 0.00 H new ATOM 0 HE3 MET A 39 4.413 -14.443 2.137 1.00 0.00 H new ATOM 606 N LEU A 40 0.192 -11.584 1.556 1.00 0.00 N ATOM 607 CA LEU A 40 -0.088 -10.134 1.760 1.00 0.00 C ATOM 608 C LEU A 40 -1.567 -9.943 2.090 1.00 0.00 C ATOM 609 O LEU A 40 -1.925 -9.219 2.996 1.00 0.00 O ATOM 610 CB LEU A 40 0.253 -9.481 0.417 1.00 0.00 C ATOM 611 CG LEU A 40 0.428 -7.968 0.591 1.00 0.00 C ATOM 612 CD1 LEU A 40 -0.715 -7.396 1.428 1.00 0.00 C ATOM 613 CD2 LEU A 40 1.757 -7.694 1.294 1.00 0.00 C ATOM 0 H LEU A 40 0.562 -11.826 0.637 1.00 0.00 H new ATOM 0 HA LEU A 40 0.485 -9.701 2.580 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.168 -9.916 0.015 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.539 -9.682 -0.304 1.00 0.00 H new ATOM 0 HG LEU A 40 0.420 -7.493 -0.390 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.578 -6.321 1.544 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.664 -7.589 0.928 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.719 -7.869 2.410 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.887 -6.619 1.420 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.758 -8.177 2.271 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.575 -8.090 0.693 1.00 0.00 H new ATOM 625 N LEU A 41 -2.431 -10.586 1.360 1.00 0.00 N ATOM 626 CA LEU A 41 -3.881 -10.433 1.637 1.00 0.00 C ATOM 627 C LEU A 41 -4.177 -10.827 3.086 1.00 0.00 C ATOM 628 O LEU A 41 -4.862 -10.125 3.799 1.00 0.00 O ATOM 629 CB LEU A 41 -4.565 -11.389 0.660 1.00 0.00 C ATOM 630 CG LEU A 41 -4.291 -10.936 -0.770 1.00 0.00 C ATOM 631 CD1 LEU A 41 -4.854 -11.970 -1.749 1.00 0.00 C ATOM 632 CD2 LEU A 41 -4.970 -9.587 -1.003 1.00 0.00 C ATOM 0 H LEU A 41 -2.196 -11.208 0.587 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.230 -9.408 1.511 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.196 -12.404 0.809 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.639 -11.410 0.847 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.217 -10.839 -0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.659 -11.647 -2.772 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.376 -12.934 -1.575 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.929 -12.066 -1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.779 -9.255 -2.024 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.044 -9.689 -0.849 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.571 -8.853 -0.302 1.00 0.00 H new ATOM 644 N GLU A 42 -3.659 -11.940 3.533 1.00 0.00 N ATOM 645 CA GLU A 42 -3.922 -12.353 4.943 1.00 0.00 C ATOM 646 C GLU A 42 -3.469 -11.258 5.911 1.00 0.00 C ATOM 647 O GLU A 42 -4.151 -10.946 6.868 1.00 0.00 O ATOM 648 CB GLU A 42 -3.103 -13.628 5.156 1.00 0.00 C ATOM 649 CG GLU A 42 -3.286 -14.111 6.596 1.00 0.00 C ATOM 650 CD GLU A 42 -4.653 -14.782 6.739 1.00 0.00 C ATOM 651 OE1 GLU A 42 -5.263 -15.063 5.721 1.00 0.00 O ATOM 652 OE2 GLU A 42 -5.069 -15.003 7.867 1.00 0.00 O ATOM 0 H GLU A 42 -3.072 -12.574 2.991 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.984 -12.521 5.125 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.423 -14.401 4.457 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.049 -13.435 4.956 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.495 -14.813 6.859 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.208 -13.270 7.286 1.00 0.00 H new ATOM 659 N TYR A 43 -2.331 -10.665 5.677 1.00 0.00 N ATOM 660 CA TYR A 43 -1.864 -9.590 6.597 1.00 0.00 C ATOM 661 C TYR A 43 -2.826 -8.399 6.555 1.00 0.00 C ATOM 662 O TYR A 43 -3.206 -7.863 7.577 1.00 0.00 O ATOM 663 CB TYR A 43 -0.483 -9.171 6.083 1.00 0.00 C ATOM 664 CG TYR A 43 -0.054 -7.897 6.787 1.00 0.00 C ATOM 665 CD1 TYR A 43 -0.593 -7.582 8.041 1.00 0.00 C ATOM 666 CD2 TYR A 43 0.869 -7.029 6.184 1.00 0.00 C ATOM 667 CE1 TYR A 43 -0.208 -6.408 8.694 1.00 0.00 C ATOM 668 CE2 TYR A 43 1.252 -5.853 6.842 1.00 0.00 C ATOM 669 CZ TYR A 43 0.712 -5.542 8.096 1.00 0.00 C ATOM 670 OH TYR A 43 1.091 -4.384 8.741 1.00 0.00 O ATOM 0 H TYR A 43 -1.709 -10.875 4.896 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.822 -9.937 7.629 1.00 0.00 H new ATOM 0 HB2 TYR A 43 0.242 -9.964 6.266 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.516 -9.012 5.005 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -1.307 -8.247 8.504 1.00 0.00 H new ATOM 0 HD2 TYR A 43 1.283 -7.267 5.215 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.622 -6.169 9.663 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.965 -5.185 6.381 1.00 0.00 H new ATOM 0 HH TYR A 43 1.737 -3.898 8.188 1.00 0.00 H new ATOM 680 N ALA A 44 -3.210 -7.971 5.381 1.00 0.00 N ATOM 681 CA ALA A 44 -4.132 -6.802 5.278 1.00 0.00 C ATOM 682 C ALA A 44 -5.582 -7.218 5.550 1.00 0.00 C ATOM 683 O ALA A 44 -6.382 -6.436 6.018 1.00 0.00 O ATOM 684 CB ALA A 44 -3.980 -6.308 3.840 1.00 0.00 C ATOM 0 H ALA A 44 -2.926 -8.380 4.491 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.891 -6.031 6.010 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.628 -5.446 3.681 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.944 -6.021 3.661 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.260 -7.104 3.150 1.00 0.00 H new ATOM 690 N GLN A 45 -5.925 -8.440 5.256 1.00 0.00 N ATOM 691 CA GLN A 45 -7.326 -8.906 5.489 1.00 0.00 C ATOM 692 C GLN A 45 -7.735 -8.719 6.945 1.00 0.00 C ATOM 693 O GLN A 45 -8.897 -8.822 7.289 1.00 0.00 O ATOM 694 CB GLN A 45 -7.303 -10.392 5.141 1.00 0.00 C ATOM 695 CG GLN A 45 -7.557 -10.554 3.649 1.00 0.00 C ATOM 696 CD GLN A 45 -7.531 -12.034 3.268 1.00 0.00 C ATOM 697 OE1 GLN A 45 -7.404 -12.893 4.118 1.00 0.00 O ATOM 698 NE2 GLN A 45 -7.651 -12.368 2.012 1.00 0.00 N ATOM 0 H GLN A 45 -5.296 -9.141 4.863 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.042 -8.342 4.891 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.340 -10.827 5.409 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.063 -10.925 5.713 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.522 -10.120 3.388 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -6.800 -10.012 3.083 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -7.758 -11.645 1.300 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -7.638 -13.352 1.742 1.00 0.00 H new ATOM 707 N THR A 46 -6.802 -8.471 7.811 1.00 0.00 N ATOM 708 CA THR A 46 -7.164 -8.314 9.243 1.00 0.00 C ATOM 709 C THR A 46 -6.644 -6.978 9.774 1.00 0.00 C ATOM 710 O THR A 46 -6.654 -6.718 10.960 1.00 0.00 O ATOM 711 CB THR A 46 -6.494 -9.504 9.941 1.00 0.00 C ATOM 712 OG1 THR A 46 -5.143 -9.178 10.238 1.00 0.00 O ATOM 713 CG2 THR A 46 -6.541 -10.734 9.018 1.00 0.00 C ATOM 0 H THR A 46 -5.810 -8.370 7.594 1.00 0.00 H new ATOM 0 HA THR A 46 -8.241 -8.306 9.413 1.00 0.00 H new ATOM 0 HB THR A 46 -7.023 -9.729 10.867 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.714 -9.937 10.686 1.00 0.00 H new ATOM 0 HG21 THR A 46 -6.065 -11.580 9.514 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.579 -10.982 8.795 1.00 0.00 H new ATOM 0 HG23 THR A 46 -6.013 -10.513 8.090 1.00 0.00 H new ATOM 721 N HIS A 47 -6.197 -6.127 8.897 1.00 0.00 N ATOM 722 CA HIS A 47 -5.682 -4.799 9.332 1.00 0.00 C ATOM 723 C HIS A 47 -5.898 -3.777 8.215 1.00 0.00 C ATOM 724 O HIS A 47 -5.225 -2.769 8.144 1.00 0.00 O ATOM 725 CB HIS A 47 -4.193 -5.019 9.588 1.00 0.00 C ATOM 726 CG HIS A 47 -3.977 -5.344 11.041 1.00 0.00 C ATOM 727 ND1 HIS A 47 -2.836 -5.987 11.490 1.00 0.00 N ATOM 728 CD2 HIS A 47 -4.752 -5.135 12.154 1.00 0.00 C ATOM 729 CE1 HIS A 47 -2.955 -6.142 12.822 1.00 0.00 C ATOM 730 NE2 HIS A 47 -4.105 -5.640 13.278 1.00 0.00 N ATOM 0 H HIS A 47 -6.165 -6.294 7.891 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.188 -4.418 10.219 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.822 -5.832 8.963 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -3.630 -4.126 9.317 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -5.718 -4.652 12.157 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.211 -6.615 13.446 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -4.438 -5.629 14.242 1.00 0.00 H new ATOM 738 N ARG A 48 -6.824 -4.046 7.336 1.00 0.00 N ATOM 739 CA ARG A 48 -7.079 -3.101 6.197 1.00 0.00 C ATOM 740 C ARG A 48 -7.021 -1.664 6.692 1.00 0.00 C ATOM 741 O ARG A 48 -6.262 -0.848 6.208 1.00 0.00 O ATOM 742 CB ARG A 48 -8.511 -3.366 5.693 1.00 0.00 C ATOM 743 CG ARG A 48 -8.938 -4.813 5.921 1.00 0.00 C ATOM 744 CD ARG A 48 -10.256 -5.071 5.192 1.00 0.00 C ATOM 745 NE ARG A 48 -11.309 -4.737 6.188 1.00 0.00 N ATOM 746 CZ ARG A 48 -11.628 -5.594 7.119 1.00 0.00 C ATOM 747 NH1 ARG A 48 -11.036 -6.757 7.177 1.00 0.00 N ATOM 748 NH2 ARG A 48 -12.540 -5.288 7.999 1.00 0.00 N ATOM 0 H ARG A 48 -7.417 -4.876 7.352 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.334 -3.249 5.415 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -9.205 -2.698 6.204 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -8.570 -3.134 4.630 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.168 -5.493 5.556 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.055 -5.006 6.987 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -10.343 -4.451 4.300 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -10.333 -6.109 4.867 1.00 0.00 H new ATOM 0 HE ARG A 48 -11.783 -3.835 6.143 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -10.320 -7.000 6.492 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -11.290 -7.423 7.907 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -13.003 -4.380 7.959 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -12.791 -5.957 8.727 1.00 0.00 H new ATOM 762 N ASP A 49 -7.836 -1.354 7.653 1.00 0.00 N ATOM 763 CA ASP A 49 -7.862 0.035 8.198 1.00 0.00 C ATOM 764 C ASP A 49 -6.668 0.277 9.121 1.00 0.00 C ATOM 765 O ASP A 49 -6.415 1.385 9.545 1.00 0.00 O ATOM 766 CB ASP A 49 -9.171 0.125 8.982 1.00 0.00 C ATOM 767 CG ASP A 49 -10.346 -0.126 8.036 1.00 0.00 C ATOM 768 OD1 ASP A 49 -10.148 -0.011 6.837 1.00 0.00 O ATOM 769 OD2 ASP A 49 -11.422 -0.426 8.524 1.00 0.00 O ATOM 0 H ASP A 49 -8.491 -2.002 8.090 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.801 0.784 7.409 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.176 -0.608 9.789 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -9.265 1.108 9.444 1.00 0.00 H new ATOM 774 N GLN A 50 -5.938 -0.752 9.444 1.00 0.00 N ATOM 775 CA GLN A 50 -4.770 -0.574 10.348 1.00 0.00 C ATOM 776 C GLN A 50 -3.473 -0.398 9.551 1.00 0.00 C ATOM 777 O GLN A 50 -2.487 0.087 10.066 1.00 0.00 O ATOM 778 CB GLN A 50 -4.734 -1.843 11.194 1.00 0.00 C ATOM 779 CG GLN A 50 -5.969 -1.870 12.098 1.00 0.00 C ATOM 780 CD GLN A 50 -6.010 -0.599 12.952 1.00 0.00 C ATOM 781 OE1 GLN A 50 -5.003 -0.190 13.498 1.00 0.00 O ATOM 782 NE2 GLN A 50 -7.136 0.046 13.094 1.00 0.00 N ATOM 0 H GLN A 50 -6.099 -1.706 9.122 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.861 0.322 10.962 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.717 -2.724 10.552 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.825 -1.870 11.796 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.873 -1.943 11.493 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.943 -2.751 12.740 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.981 -0.296 12.636 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.171 0.892 13.662 1.00 0.00 H new ATOM 791 N ILE A 51 -3.457 -0.767 8.296 1.00 0.00 N ATOM 792 CA ILE A 51 -2.207 -0.582 7.502 1.00 0.00 C ATOM 793 C ILE A 51 -2.078 0.894 7.117 1.00 0.00 C ATOM 794 O ILE A 51 -2.966 1.470 6.522 1.00 0.00 O ATOM 795 CB ILE A 51 -2.358 -1.472 6.262 1.00 0.00 C ATOM 796 CG1 ILE A 51 -2.636 -2.927 6.674 1.00 0.00 C ATOM 797 CG2 ILE A 51 -1.066 -1.429 5.449 1.00 0.00 C ATOM 798 CD1 ILE A 51 -1.928 -3.258 7.997 1.00 0.00 C ATOM 0 H ILE A 51 -4.242 -1.182 7.794 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.310 -0.856 8.058 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.193 -1.102 5.667 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.710 -3.082 6.781 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.293 -3.604 5.892 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.170 -2.061 4.567 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.865 -0.403 5.139 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.239 -1.792 6.060 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.136 -4.292 8.272 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.853 -3.124 7.878 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.292 -2.593 8.781 1.00 0.00 H new ATOM 810 N ASP A 52 -0.991 1.517 7.476 1.00 0.00 N ATOM 811 CA ASP A 52 -0.816 2.963 7.159 1.00 0.00 C ATOM 812 C ASP A 52 -0.366 3.159 5.715 1.00 0.00 C ATOM 813 O ASP A 52 -0.670 4.159 5.103 1.00 0.00 O ATOM 814 CB ASP A 52 0.268 3.445 8.124 1.00 0.00 C ATOM 815 CG ASP A 52 -0.383 3.937 9.416 1.00 0.00 C ATOM 816 OD1 ASP A 52 -1.520 4.374 9.352 1.00 0.00 O ATOM 817 OD2 ASP A 52 0.268 3.874 10.447 1.00 0.00 O ATOM 0 H ASP A 52 -0.214 1.087 7.977 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.749 3.517 7.267 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.964 2.634 8.340 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.846 4.248 7.667 1.00 0.00 H new ATOM 822 N CYS A 53 0.361 2.226 5.169 1.00 0.00 N ATOM 823 CA CYS A 53 0.836 2.380 3.764 1.00 0.00 C ATOM 824 C CYS A 53 1.240 1.020 3.186 1.00 0.00 C ATOM 825 O CYS A 53 2.001 0.292 3.786 1.00 0.00 O ATOM 826 CB CYS A 53 2.054 3.299 3.876 1.00 0.00 C ATOM 827 SG CYS A 53 2.214 4.274 2.359 1.00 0.00 S ATOM 0 H CYS A 53 0.647 1.364 5.633 1.00 0.00 H new ATOM 0 HA CYS A 53 0.069 2.784 3.103 1.00 0.00 H new ATOM 0 HB2 CYS A 53 1.947 3.960 4.736 1.00 0.00 H new ATOM 0 HB3 CYS A 53 2.955 2.708 4.038 1.00 0.00 H new ATOM 0 HG CYS A 53 1.196 4.041 1.584 1.00 0.00 H new ATOM 833 N LEU A 54 0.746 0.659 2.031 1.00 0.00 N ATOM 834 CA LEU A 54 1.142 -0.668 1.468 1.00 0.00 C ATOM 835 C LEU A 54 2.170 -0.497 0.337 1.00 0.00 C ATOM 836 O LEU A 54 2.033 0.361 -0.510 1.00 0.00 O ATOM 837 CB LEU A 54 -0.154 -1.278 0.935 1.00 0.00 C ATOM 838 CG LEU A 54 0.018 -2.792 0.814 1.00 0.00 C ATOM 839 CD1 LEU A 54 -1.354 -3.456 0.736 1.00 0.00 C ATOM 840 CD2 LEU A 54 0.816 -3.119 -0.453 1.00 0.00 C ATOM 0 H LEU A 54 0.101 1.209 1.464 1.00 0.00 H new ATOM 0 HA LEU A 54 1.613 -1.304 2.218 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.982 -1.046 1.605 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.400 -0.849 -0.036 1.00 0.00 H new ATOM 0 HG LEU A 54 0.554 -3.166 1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.231 -4.536 0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.921 -3.226 1.638 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.891 -3.081 -0.135 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.938 -4.199 -0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.282 -2.744 -1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.797 -2.647 -0.397 1.00 0.00 H new ATOM 852 N ILE A 55 3.199 -1.307 0.310 1.00 0.00 N ATOM 853 CA ILE A 55 4.214 -1.169 -0.780 1.00 0.00 C ATOM 854 C ILE A 55 4.012 -2.262 -1.823 1.00 0.00 C ATOM 855 O ILE A 55 3.736 -3.399 -1.498 1.00 0.00 O ATOM 856 CB ILE A 55 5.571 -1.358 -0.115 1.00 0.00 C ATOM 857 CG1 ILE A 55 5.697 -0.457 1.106 1.00 0.00 C ATOM 858 CG2 ILE A 55 6.682 -1.014 -1.108 1.00 0.00 C ATOM 859 CD1 ILE A 55 7.037 -0.744 1.783 1.00 0.00 C ATOM 0 H ILE A 55 3.379 -2.049 0.986 1.00 0.00 H new ATOM 0 HA ILE A 55 4.131 -0.203 -1.278 1.00 0.00 H new ATOM 0 HB ILE A 55 5.661 -2.398 0.199 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.638 0.591 0.811 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.876 -0.640 1.799 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.652 -1.150 -0.630 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.610 -1.669 -1.976 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.577 0.023 -1.427 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.145 -0.107 2.661 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.074 -1.790 2.087 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.849 -0.540 1.085 1.00 0.00 H new ATOM 871 N LEU A 56 4.152 -1.939 -3.073 1.00 0.00 N ATOM 872 CA LEU A 56 3.972 -2.982 -4.113 1.00 0.00 C ATOM 873 C LEU A 56 4.953 -2.785 -5.259 1.00 0.00 C ATOM 874 O LEU A 56 5.448 -1.702 -5.501 1.00 0.00 O ATOM 875 CB LEU A 56 2.538 -2.814 -4.601 1.00 0.00 C ATOM 876 CG LEU A 56 1.585 -3.257 -3.495 1.00 0.00 C ATOM 877 CD1 LEU A 56 0.157 -2.878 -3.876 1.00 0.00 C ATOM 878 CD2 LEU A 56 1.683 -4.773 -3.319 1.00 0.00 C ATOM 0 H LEU A 56 4.381 -1.007 -3.418 1.00 0.00 H new ATOM 0 HA LEU A 56 4.157 -3.981 -3.718 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.350 -1.774 -4.867 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.374 -3.408 -5.500 1.00 0.00 H new ATOM 0 HG LEU A 56 1.854 -2.765 -2.560 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.526 -3.194 -3.087 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.089 -1.798 -4.004 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.114 -3.372 -4.809 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.003 -5.092 -2.529 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.412 -5.266 -4.253 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.704 -5.043 -3.050 1.00 0.00 H new ATOM 890 N VAL A 57 5.220 -3.836 -5.971 1.00 0.00 N ATOM 891 CA VAL A 57 6.155 -3.749 -7.123 1.00 0.00 C ATOM 892 C VAL A 57 5.452 -4.267 -8.379 1.00 0.00 C ATOM 893 O VAL A 57 4.829 -5.311 -8.364 1.00 0.00 O ATOM 894 CB VAL A 57 7.333 -4.644 -6.747 1.00 0.00 C ATOM 895 CG1 VAL A 57 8.270 -4.783 -7.945 1.00 0.00 C ATOM 896 CG2 VAL A 57 8.101 -4.019 -5.579 1.00 0.00 C ATOM 0 H VAL A 57 4.827 -4.763 -5.804 1.00 0.00 H new ATOM 0 HA VAL A 57 6.483 -2.731 -7.331 1.00 0.00 H new ATOM 0 HB VAL A 57 6.960 -5.626 -6.456 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.111 -5.422 -7.677 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.729 -5.227 -8.781 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.639 -3.799 -8.234 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.942 -4.659 -5.312 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.472 -3.037 -5.871 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.437 -3.915 -4.721 1.00 0.00 H new ATOM 906 N ALA A 58 5.529 -3.546 -9.461 1.00 0.00 N ATOM 907 CA ALA A 58 4.845 -4.001 -10.705 1.00 0.00 C ATOM 908 C ALA A 58 5.661 -5.082 -11.409 1.00 0.00 C ATOM 909 O ALA A 58 5.239 -5.641 -12.402 1.00 0.00 O ATOM 910 CB ALA A 58 4.753 -2.760 -11.580 1.00 0.00 C ATOM 0 H ALA A 58 6.034 -2.663 -9.539 1.00 0.00 H new ATOM 0 HA ALA A 58 3.867 -4.434 -10.493 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.260 -3.012 -12.519 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.178 -1.992 -11.063 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.756 -2.385 -11.786 1.00 0.00 H new ATOM 916 N ALA A 59 6.825 -5.380 -10.913 1.00 0.00 N ATOM 917 CA ALA A 59 7.657 -6.426 -11.568 1.00 0.00 C ATOM 918 C ALA A 59 7.056 -7.815 -11.314 1.00 0.00 C ATOM 919 O ALA A 59 7.405 -8.778 -11.965 1.00 0.00 O ATOM 920 CB ALA A 59 9.033 -6.297 -10.917 1.00 0.00 C ATOM 0 H ALA A 59 7.237 -4.948 -10.086 1.00 0.00 H new ATOM 0 HA ALA A 59 7.709 -6.302 -12.650 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.709 -7.036 -11.346 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.428 -5.297 -11.096 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.945 -6.465 -9.844 1.00 0.00 H new ATOM 926 N ASN A 60 6.148 -7.918 -10.378 1.00 0.00 N ATOM 927 CA ASN A 60 5.516 -9.238 -10.087 1.00 0.00 C ATOM 928 C ASN A 60 4.580 -9.645 -11.233 1.00 0.00 C ATOM 929 O ASN A 60 4.213 -8.831 -12.058 1.00 0.00 O ATOM 930 CB ASN A 60 4.738 -9.024 -8.790 1.00 0.00 C ATOM 931 CG ASN A 60 5.629 -9.367 -7.594 1.00 0.00 C ATOM 932 OD1 ASN A 60 5.990 -10.512 -7.402 1.00 0.00 O ATOM 933 ND2 ASN A 60 6.001 -8.420 -6.777 1.00 0.00 N ATOM 0 H ASN A 60 5.817 -7.144 -9.802 1.00 0.00 H new ATOM 0 HA ASN A 60 6.249 -10.039 -9.989 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.403 -7.989 -8.722 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.845 -9.649 -8.782 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.595 -8.640 -5.977 1.00 0.00 H new ATOM 0 HD22 ASN A 60 5.698 -7.459 -6.938 1.00 0.00 H new ATOM 940 N PRO A 61 4.239 -10.905 -11.245 1.00 0.00 N ATOM 941 CA PRO A 61 3.349 -11.458 -12.304 1.00 0.00 C ATOM 942 C PRO A 61 1.899 -10.997 -12.118 1.00 0.00 C ATOM 943 O PRO A 61 1.480 -9.997 -12.667 1.00 0.00 O ATOM 944 CB PRO A 61 3.459 -12.967 -12.106 1.00 0.00 C ATOM 945 CG PRO A 61 3.856 -13.145 -10.673 1.00 0.00 C ATOM 946 CD PRO A 61 4.649 -11.927 -10.277 1.00 0.00 C ATOM 0 HA PRO A 61 3.636 -11.129 -13.303 1.00 0.00 H new ATOM 0 HB2 PRO A 61 2.511 -13.462 -12.317 1.00 0.00 H new ATOM 0 HB3 PRO A 61 4.201 -13.400 -12.777 1.00 0.00 H new ATOM 0 HG2 PRO A 61 2.975 -13.253 -10.040 1.00 0.00 H new ATOM 0 HG3 PRO A 61 4.451 -14.049 -10.548 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.426 -11.621 -9.255 1.00 0.00 H new ATOM 0 HD3 PRO A 61 5.721 -12.116 -10.326 1.00 0.00 H new ATOM 954 N SER A 62 1.126 -11.726 -11.353 1.00 0.00 N ATOM 955 CA SER A 62 -0.303 -11.342 -11.138 1.00 0.00 C ATOM 956 C SER A 62 -0.423 -10.256 -10.065 1.00 0.00 C ATOM 957 O SER A 62 -1.436 -10.129 -9.409 1.00 0.00 O ATOM 958 CB SER A 62 -0.992 -12.621 -10.671 1.00 0.00 C ATOM 959 OG SER A 62 -0.302 -13.139 -9.541 1.00 0.00 O ATOM 0 H SER A 62 1.423 -12.572 -10.867 1.00 0.00 H new ATOM 0 HA SER A 62 -0.751 -10.936 -12.045 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.031 -12.415 -10.414 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.002 -13.357 -11.475 1.00 0.00 H new ATOM 0 HG SER A 62 -0.742 -13.960 -9.237 1.00 0.00 H new ATOM 965 N PHE A 63 0.602 -9.476 -9.881 1.00 0.00 N ATOM 966 CA PHE A 63 0.553 -8.401 -8.856 1.00 0.00 C ATOM 967 C PHE A 63 -0.724 -7.557 -9.008 1.00 0.00 C ATOM 968 O PHE A 63 -1.371 -7.220 -8.038 1.00 0.00 O ATOM 969 CB PHE A 63 1.818 -7.587 -9.142 1.00 0.00 C ATOM 970 CG PHE A 63 1.608 -6.138 -8.800 1.00 0.00 C ATOM 971 CD1 PHE A 63 1.254 -5.765 -7.501 1.00 0.00 C ATOM 972 CD2 PHE A 63 1.761 -5.167 -9.791 1.00 0.00 C ATOM 973 CE1 PHE A 63 1.051 -4.418 -7.196 1.00 0.00 C ATOM 974 CE2 PHE A 63 1.561 -3.819 -9.488 1.00 0.00 C ATOM 975 CZ PHE A 63 1.205 -3.442 -8.189 1.00 0.00 C ATOM 0 H PHE A 63 1.478 -9.538 -10.400 1.00 0.00 H new ATOM 0 HA PHE A 63 0.523 -8.775 -7.833 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.651 -7.985 -8.563 1.00 0.00 H new ATOM 0 HB3 PHE A 63 2.087 -7.682 -10.194 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.138 -6.517 -6.735 1.00 0.00 H new ATOM 0 HD2 PHE A 63 2.035 -5.459 -10.794 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.775 -4.128 -6.193 1.00 0.00 H new ATOM 0 HE2 PHE A 63 1.681 -3.069 -10.255 1.00 0.00 H new ATOM 0 HZ PHE A 63 1.049 -2.400 -7.952 1.00 0.00 H new ATOM 985 N ARG A 64 -1.086 -7.208 -10.212 1.00 0.00 N ATOM 986 CA ARG A 64 -2.315 -6.384 -10.408 1.00 0.00 C ATOM 987 C ARG A 64 -3.522 -7.086 -9.787 1.00 0.00 C ATOM 988 O ARG A 64 -4.303 -6.489 -9.074 1.00 0.00 O ATOM 989 CB ARG A 64 -2.481 -6.270 -11.925 1.00 0.00 C ATOM 990 CG ARG A 64 -1.653 -5.094 -12.445 1.00 0.00 C ATOM 991 CD ARG A 64 -0.164 -5.408 -12.288 1.00 0.00 C ATOM 992 NE ARG A 64 0.101 -6.519 -13.248 1.00 0.00 N ATOM 993 CZ ARG A 64 0.303 -6.263 -14.514 1.00 0.00 C ATOM 994 NH1 ARG A 64 0.280 -5.033 -14.952 1.00 0.00 N ATOM 995 NH2 ARG A 64 0.529 -7.242 -15.349 1.00 0.00 N ATOM 0 H ARG A 64 -0.587 -7.456 -11.066 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.237 -5.405 -9.934 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -2.161 -7.194 -12.406 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -3.532 -6.127 -12.176 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.887 -4.906 -13.493 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.904 -4.187 -11.895 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.449 -4.536 -12.515 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.071 -5.705 -11.266 1.00 0.00 H new ATOM 0 HE ARG A 64 0.125 -7.483 -12.915 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.104 -4.264 -14.305 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.438 -4.841 -15.941 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.548 -8.205 -15.013 1.00 0.00 H new ATOM 0 HH22 ARG A 64 0.687 -7.043 -16.337 1.00 0.00 H new ATOM 1009 N ALA A 65 -3.671 -8.353 -10.045 1.00 0.00 N ATOM 1010 CA ALA A 65 -4.820 -9.100 -9.459 1.00 0.00 C ATOM 1011 C ALA A 65 -4.734 -9.054 -7.933 1.00 0.00 C ATOM 1012 O ALA A 65 -5.716 -8.846 -7.247 1.00 0.00 O ATOM 1013 CB ALA A 65 -4.667 -10.534 -9.965 1.00 0.00 C ATOM 0 H ALA A 65 -3.049 -8.905 -10.635 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.783 -8.677 -9.743 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.480 -11.146 -9.574 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.699 -10.541 -11.055 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.713 -10.939 -9.628 1.00 0.00 H new ATOM 1019 N VAL A 66 -3.558 -9.244 -7.399 1.00 0.00 N ATOM 1020 CA VAL A 66 -3.395 -9.211 -5.919 1.00 0.00 C ATOM 1021 C VAL A 66 -3.842 -7.856 -5.365 1.00 0.00 C ATOM 1022 O VAL A 66 -4.549 -7.784 -4.375 1.00 0.00 O ATOM 1023 CB VAL A 66 -1.898 -9.416 -5.691 1.00 0.00 C ATOM 1024 CG1 VAL A 66 -1.579 -9.223 -4.207 1.00 0.00 C ATOM 1025 CG2 VAL A 66 -1.507 -10.833 -6.120 1.00 0.00 C ATOM 0 H VAL A 66 -2.702 -9.421 -7.925 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.996 -9.969 -5.417 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.336 -8.691 -6.280 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.511 -9.369 -4.042 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.859 -8.214 -3.903 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.139 -9.948 -3.617 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.439 -10.981 -5.958 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.067 -11.559 -5.531 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.736 -10.969 -7.177 1.00 0.00 H new ATOM 1035 N VAL A 67 -3.454 -6.780 -5.993 1.00 0.00 N ATOM 1036 CA VAL A 67 -3.886 -5.452 -5.482 1.00 0.00 C ATOM 1037 C VAL A 67 -5.400 -5.326 -5.614 1.00 0.00 C ATOM 1038 O VAL A 67 -6.067 -4.782 -4.756 1.00 0.00 O ATOM 1039 CB VAL A 67 -3.186 -4.416 -6.356 1.00 0.00 C ATOM 1040 CG1 VAL A 67 -3.242 -3.056 -5.658 1.00 0.00 C ATOM 1041 CG2 VAL A 67 -1.726 -4.823 -6.570 1.00 0.00 C ATOM 0 H VAL A 67 -2.865 -6.763 -6.826 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.631 -5.314 -4.431 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.685 -4.355 -7.323 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.744 -2.309 -6.276 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.282 -2.767 -5.507 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.740 -3.122 -4.693 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.229 -4.081 -7.195 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.220 -4.883 -5.606 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.688 -5.795 -7.062 1.00 0.00 H new ATOM 1051 N GLN A 68 -5.954 -5.833 -6.685 1.00 0.00 N ATOM 1052 CA GLN A 68 -7.421 -5.751 -6.868 1.00 0.00 C ATOM 1053 C GLN A 68 -8.109 -6.523 -5.739 1.00 0.00 C ATOM 1054 O GLN A 68 -9.138 -6.118 -5.236 1.00 0.00 O ATOM 1055 CB GLN A 68 -7.674 -6.360 -8.263 1.00 0.00 C ATOM 1056 CG GLN A 68 -8.473 -7.664 -8.175 1.00 0.00 C ATOM 1057 CD GLN A 68 -9.073 -7.981 -9.547 1.00 0.00 C ATOM 1058 OE1 GLN A 68 -8.366 -8.350 -10.464 1.00 0.00 O ATOM 1059 NE2 GLN A 68 -10.358 -7.848 -9.730 1.00 0.00 N ATOM 0 H GLN A 68 -5.448 -6.299 -7.438 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.822 -4.738 -6.822 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.215 -5.643 -8.881 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.720 -6.550 -8.756 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -7.826 -8.479 -7.851 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.265 -7.570 -7.432 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.953 -7.538 -8.962 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -10.767 -8.054 -10.641 1.00 0.00 H new ATOM 1068 N GLN A 69 -7.536 -7.622 -5.321 1.00 0.00 N ATOM 1069 CA GLN A 69 -8.153 -8.393 -4.211 1.00 0.00 C ATOM 1070 C GLN A 69 -8.228 -7.498 -2.977 1.00 0.00 C ATOM 1071 O GLN A 69 -9.219 -7.476 -2.272 1.00 0.00 O ATOM 1072 CB GLN A 69 -7.219 -9.578 -3.969 1.00 0.00 C ATOM 1073 CG GLN A 69 -7.847 -10.521 -2.938 1.00 0.00 C ATOM 1074 CD GLN A 69 -9.067 -11.209 -3.553 1.00 0.00 C ATOM 1075 OE1 GLN A 69 -8.977 -11.801 -4.609 1.00 0.00 O ATOM 1076 NE2 GLN A 69 -10.211 -11.158 -2.929 1.00 0.00 N ATOM 0 H GLN A 69 -6.674 -8.014 -5.700 1.00 0.00 H new ATOM 0 HA GLN A 69 -9.163 -8.734 -4.438 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -7.040 -10.110 -4.903 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -6.251 -9.225 -3.613 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -7.118 -11.266 -2.619 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -8.141 -9.962 -2.049 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -10.286 -10.661 -2.042 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -11.031 -11.616 -3.328 1.00 0.00 H new ATOM 1085 N LEU A 70 -7.200 -6.731 -2.722 1.00 0.00 N ATOM 1086 CA LEU A 70 -7.244 -5.814 -1.550 1.00 0.00 C ATOM 1087 C LEU A 70 -8.447 -4.889 -1.707 1.00 0.00 C ATOM 1088 O LEU A 70 -9.240 -4.719 -0.803 1.00 0.00 O ATOM 1089 CB LEU A 70 -5.946 -5.010 -1.603 1.00 0.00 C ATOM 1090 CG LEU A 70 -4.824 -5.797 -0.930 1.00 0.00 C ATOM 1091 CD1 LEU A 70 -3.592 -5.792 -1.834 1.00 0.00 C ATOM 1092 CD2 LEU A 70 -4.473 -5.136 0.404 1.00 0.00 C ATOM 0 H LEU A 70 -6.340 -6.701 -3.270 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.337 -6.344 -0.602 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.682 -4.796 -2.639 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.081 -4.051 -1.103 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.149 -6.823 -0.757 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.788 -6.353 -1.357 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.840 -6.254 -2.789 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.268 -4.765 -2.001 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.672 -5.695 0.888 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.145 -4.112 0.227 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.352 -5.129 1.049 1.00 0.00 H new ATOM 1104 N CYS A 71 -8.597 -4.306 -2.867 1.00 0.00 N ATOM 1105 CA CYS A 71 -9.759 -3.410 -3.110 1.00 0.00 C ATOM 1106 C CYS A 71 -11.052 -4.223 -3.014 1.00 0.00 C ATOM 1107 O CYS A 71 -12.059 -3.755 -2.524 1.00 0.00 O ATOM 1108 CB CYS A 71 -9.554 -2.879 -4.529 1.00 0.00 C ATOM 1109 SG CYS A 71 -8.120 -1.779 -4.552 1.00 0.00 S ATOM 0 H CYS A 71 -7.961 -4.414 -3.657 1.00 0.00 H new ATOM 0 HA CYS A 71 -9.832 -2.599 -2.386 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -9.403 -3.707 -5.221 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -10.443 -2.344 -4.862 1.00 0.00 H new ATOM 0 HG CYS A 71 -7.262 -2.165 -3.655 1.00 0.00 H new ATOM 1115 N PHE A 72 -11.024 -5.448 -3.475 1.00 0.00 N ATOM 1116 CA PHE A 72 -12.244 -6.307 -3.406 1.00 0.00 C ATOM 1117 C PHE A 72 -12.685 -6.456 -1.952 1.00 0.00 C ATOM 1118 O PHE A 72 -13.855 -6.396 -1.631 1.00 0.00 O ATOM 1119 CB PHE A 72 -11.799 -7.658 -3.970 1.00 0.00 C ATOM 1120 CG PHE A 72 -12.877 -8.693 -3.740 1.00 0.00 C ATOM 1121 CD1 PHE A 72 -12.918 -9.411 -2.537 1.00 0.00 C ATOM 1122 CD2 PHE A 72 -13.829 -8.941 -4.733 1.00 0.00 C ATOM 1123 CE1 PHE A 72 -13.914 -10.372 -2.329 1.00 0.00 C ATOM 1124 CE2 PHE A 72 -14.826 -9.903 -4.525 1.00 0.00 C ATOM 1125 CZ PHE A 72 -14.867 -10.619 -3.323 1.00 0.00 C ATOM 0 H PHE A 72 -10.207 -5.890 -3.897 1.00 0.00 H new ATOM 0 HA PHE A 72 -13.086 -5.890 -3.959 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -11.593 -7.566 -5.036 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -10.872 -7.974 -3.492 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -12.181 -9.223 -1.770 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -13.796 -8.390 -5.662 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -13.947 -10.923 -1.401 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -15.563 -10.092 -5.292 1.00 0.00 H new ATOM 0 HZ PHE A 72 -15.634 -11.362 -3.163 1.00 0.00 H new ATOM 1135 N GLU A 73 -11.745 -6.641 -1.069 1.00 0.00 N ATOM 1136 CA GLU A 73 -12.085 -6.788 0.374 1.00 0.00 C ATOM 1137 C GLU A 73 -12.247 -5.407 1.011 1.00 0.00 C ATOM 1138 O GLU A 73 -12.506 -5.279 2.191 1.00 0.00 O ATOM 1139 CB GLU A 73 -10.889 -7.519 0.982 1.00 0.00 C ATOM 1140 CG GLU A 73 -10.660 -8.827 0.226 1.00 0.00 C ATOM 1141 CD GLU A 73 -9.763 -9.745 1.059 1.00 0.00 C ATOM 1142 OE1 GLU A 73 -10.291 -10.431 1.918 1.00 0.00 O ATOM 1143 OE2 GLU A 73 -8.567 -9.745 0.823 1.00 0.00 O ATOM 0 H GLU A 73 -10.750 -6.697 -1.286 1.00 0.00 H new ATOM 0 HA GLU A 73 -13.019 -7.328 0.533 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -9.999 -6.893 0.927 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -11.070 -7.722 2.037 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.613 -9.316 0.026 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -10.196 -8.625 -0.740 1.00 0.00 H new ATOM 1150 N GLY A 74 -12.095 -4.372 0.232 1.00 0.00 N ATOM 1151 CA GLY A 74 -12.237 -3.000 0.782 1.00 0.00 C ATOM 1152 C GLY A 74 -10.926 -2.570 1.435 1.00 0.00 C ATOM 1153 O GLY A 74 -10.854 -1.544 2.083 1.00 0.00 O ATOM 0 H GLY A 74 -11.878 -4.420 -0.764 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.503 -2.304 -0.014 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.045 -2.973 1.513 1.00 0.00 H new ATOM 1157 N VAL A 75 -9.879 -3.332 1.269 1.00 0.00 N ATOM 1158 CA VAL A 75 -8.588 -2.938 1.884 1.00 0.00 C ATOM 1159 C VAL A 75 -7.936 -1.851 1.035 1.00 0.00 C ATOM 1160 O VAL A 75 -7.112 -2.122 0.184 1.00 0.00 O ATOM 1161 CB VAL A 75 -7.741 -4.206 1.880 1.00 0.00 C ATOM 1162 CG1 VAL A 75 -6.469 -3.963 2.691 1.00 0.00 C ATOM 1163 CG2 VAL A 75 -8.536 -5.355 2.506 1.00 0.00 C ATOM 0 H VAL A 75 -9.865 -4.203 0.738 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.704 -2.540 2.892 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.478 -4.467 0.855 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.860 -4.867 2.691 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.904 -3.144 2.245 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.735 -3.704 3.716 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.930 -6.261 2.503 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -8.800 -5.098 3.532 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -9.445 -5.525 1.929 1.00 0.00 H new ATOM 1173 N VAL A 76 -8.305 -0.621 1.252 1.00 0.00 N ATOM 1174 CA VAL A 76 -7.709 0.482 0.449 1.00 0.00 C ATOM 1175 C VAL A 76 -6.796 1.332 1.336 1.00 0.00 C ATOM 1176 O VAL A 76 -7.171 1.763 2.408 1.00 0.00 O ATOM 1177 CB VAL A 76 -8.906 1.286 -0.062 1.00 0.00 C ATOM 1178 CG1 VAL A 76 -8.463 2.185 -1.217 1.00 0.00 C ATOM 1179 CG2 VAL A 76 -9.988 0.326 -0.562 1.00 0.00 C ATOM 0 H VAL A 76 -8.992 -0.332 1.949 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.093 0.125 -0.376 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.302 1.898 0.748 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -9.316 2.757 -1.580 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.689 2.869 -0.869 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -8.068 1.570 -2.026 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -10.842 0.898 -0.926 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.587 -0.284 -1.372 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.307 -0.321 0.256 1.00 0.00 H new ATOM 1189 N VAL A 77 -5.587 1.544 0.899 1.00 0.00 N ATOM 1190 CA VAL A 77 -4.610 2.332 1.708 1.00 0.00 C ATOM 1191 C VAL A 77 -3.624 3.042 0.787 1.00 0.00 C ATOM 1192 O VAL A 77 -3.518 2.705 -0.368 1.00 0.00 O ATOM 1193 CB VAL A 77 -3.862 1.277 2.526 1.00 0.00 C ATOM 1194 CG1 VAL A 77 -4.736 0.793 3.681 1.00 0.00 C ATOM 1195 CG2 VAL A 77 -3.507 0.090 1.615 1.00 0.00 C ATOM 0 H VAL A 77 -5.228 1.203 0.007 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.095 3.089 2.324 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.951 1.715 2.933 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.195 0.042 4.257 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.986 1.635 4.326 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.652 0.355 3.285 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.974 -0.665 2.193 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.421 -0.343 1.208 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.874 0.435 0.797 1.00 0.00 H new ATOM 1205 N PRO A 78 -2.896 3.976 1.334 1.00 0.00 N ATOM 1206 CA PRO A 78 -1.881 4.701 0.534 1.00 0.00 C ATOM 1207 C PRO A 78 -0.825 3.704 0.083 1.00 0.00 C ATOM 1208 O PRO A 78 0.134 3.432 0.779 1.00 0.00 O ATOM 1209 CB PRO A 78 -1.311 5.720 1.513 1.00 0.00 C ATOM 1210 CG PRO A 78 -1.598 5.139 2.854 1.00 0.00 C ATOM 1211 CD PRO A 78 -2.920 4.433 2.722 1.00 0.00 C ATOM 0 HA PRO A 78 -2.269 5.183 -0.363 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -0.241 5.862 1.361 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -1.783 6.695 1.392 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.813 4.445 3.156 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -1.645 5.918 3.615 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -3.008 3.602 3.422 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -3.759 5.102 2.915 1.00 0.00 H new ATOM 1219 N ALA A 79 -1.022 3.126 -1.059 1.00 0.00 N ATOM 1220 CA ALA A 79 -0.063 2.106 -1.547 1.00 0.00 C ATOM 1221 C ALA A 79 0.930 2.699 -2.546 1.00 0.00 C ATOM 1222 O ALA A 79 0.554 3.295 -3.536 1.00 0.00 O ATOM 1223 CB ALA A 79 -0.952 1.064 -2.221 1.00 0.00 C ATOM 0 H ALA A 79 -1.809 3.315 -1.680 1.00 0.00 H new ATOM 0 HA ALA A 79 0.545 1.693 -0.743 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.333 0.260 -2.619 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.652 0.656 -1.492 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.507 1.531 -3.035 1.00 0.00 H new ATOM 1229 N ILE A 80 2.201 2.526 -2.302 1.00 0.00 N ATOM 1230 CA ILE A 80 3.218 3.060 -3.244 1.00 0.00 C ATOM 1231 C ILE A 80 3.597 1.959 -4.240 1.00 0.00 C ATOM 1232 O ILE A 80 3.954 0.861 -3.862 1.00 0.00 O ATOM 1233 CB ILE A 80 4.405 3.442 -2.362 1.00 0.00 C ATOM 1234 CG1 ILE A 80 3.923 4.393 -1.261 1.00 0.00 C ATOM 1235 CG2 ILE A 80 5.461 4.143 -3.215 1.00 0.00 C ATOM 1236 CD1 ILE A 80 5.031 4.595 -0.227 1.00 0.00 C ATOM 0 H ILE A 80 2.576 2.037 -1.489 1.00 0.00 H new ATOM 0 HA ILE A 80 2.867 3.914 -3.823 1.00 0.00 H new ATOM 0 HB ILE A 80 4.837 2.548 -1.912 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.639 5.352 -1.695 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.034 3.985 -0.780 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.310 4.418 -2.589 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.795 3.471 -4.006 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.032 5.041 -3.659 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.682 5.272 0.553 1.00 0.00 H new ATOM 0 HD12 ILE A 80 5.294 3.635 0.217 1.00 0.00 H new ATOM 0 HD13 ILE A 80 5.908 5.022 -0.713 1.00 0.00 H new ATOM 1248 N VAL A 81 3.499 2.236 -5.510 1.00 0.00 N ATOM 1249 CA VAL A 81 3.827 1.197 -6.526 1.00 0.00 C ATOM 1250 C VAL A 81 5.211 1.444 -7.127 1.00 0.00 C ATOM 1251 O VAL A 81 5.616 2.568 -7.344 1.00 0.00 O ATOM 1252 CB VAL A 81 2.742 1.336 -7.591 1.00 0.00 C ATOM 1253 CG1 VAL A 81 2.897 0.221 -8.626 1.00 0.00 C ATOM 1254 CG2 VAL A 81 1.367 1.230 -6.923 1.00 0.00 C ATOM 0 H VAL A 81 3.206 3.137 -5.889 1.00 0.00 H new ATOM 0 HA VAL A 81 3.854 0.196 -6.095 1.00 0.00 H new ATOM 0 HB VAL A 81 2.835 2.302 -8.087 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.122 0.320 -9.386 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.878 0.294 -9.096 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.801 -0.747 -8.135 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.587 1.328 -7.678 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.275 0.262 -6.431 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.259 2.024 -6.184 1.00 0.00 H new ATOM 1264 N VAL A 82 5.938 0.396 -7.390 1.00 0.00 N ATOM 1265 CA VAL A 82 7.301 0.550 -7.972 1.00 0.00 C ATOM 1266 C VAL A 82 7.350 -0.097 -9.359 1.00 0.00 C ATOM 1267 O VAL A 82 6.703 -1.094 -9.611 1.00 0.00 O ATOM 1268 CB VAL A 82 8.224 -0.191 -7.005 1.00 0.00 C ATOM 1269 CG1 VAL A 82 9.673 0.225 -7.257 1.00 0.00 C ATOM 1270 CG2 VAL A 82 7.841 0.154 -5.564 1.00 0.00 C ATOM 0 H VAL A 82 5.646 -0.567 -7.226 1.00 0.00 H new ATOM 0 HA VAL A 82 7.589 1.594 -8.093 1.00 0.00 H new ATOM 0 HB VAL A 82 8.121 -1.265 -7.162 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.329 -0.305 -6.566 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.950 -0.022 -8.282 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.775 1.299 -7.103 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.500 -0.375 -4.876 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.941 1.228 -5.408 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.809 -0.145 -5.380 1.00 0.00 H new ATOM 1280 N GLY A 83 8.106 0.462 -10.261 1.00 0.00 N ATOM 1281 CA GLY A 83 8.189 -0.123 -11.630 1.00 0.00 C ATOM 1282 C GLY A 83 7.273 0.660 -12.575 1.00 0.00 C ATOM 1283 O GLY A 83 7.169 0.356 -13.748 1.00 0.00 O ATOM 0 H GLY A 83 8.670 1.298 -10.111 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.217 -0.088 -11.991 1.00 0.00 H new ATOM 0 HA3 GLY A 83 7.895 -1.172 -11.607 1.00 0.00 H new ATOM 1492 N LEU A 98 -3.492 -0.631 -11.140 1.00 0.00 N ATOM 1493 CA LEU A 98 -2.639 -1.396 -10.194 1.00 0.00 C ATOM 1494 C LEU A 98 -3.288 -1.389 -8.815 1.00 0.00 C ATOM 1495 O LEU A 98 -3.259 -2.365 -8.099 1.00 0.00 O ATOM 1496 CB LEU A 98 -1.305 -0.655 -10.177 1.00 0.00 C ATOM 1497 CG LEU A 98 -0.748 -0.605 -11.599 1.00 0.00 C ATOM 1498 CD1 LEU A 98 0.575 0.163 -11.608 1.00 0.00 C ATOM 1499 CD2 LEU A 98 -0.512 -2.027 -12.107 1.00 0.00 C ATOM 0 HA LEU A 98 -2.509 -2.439 -10.484 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.440 0.355 -9.789 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.602 -1.160 -9.514 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.464 -0.100 -12.247 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.969 0.197 -12.624 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.408 1.179 -11.250 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.291 -0.339 -10.957 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.115 -1.990 -13.121 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.202 -2.532 -11.456 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.454 -2.575 -12.106 1.00 0.00 H new ATOM 1511 N TYR A 99 -3.888 -0.290 -8.453 1.00 0.00 N ATOM 1512 CA TYR A 99 -4.560 -0.197 -7.127 1.00 0.00 C ATOM 1513 C TYR A 99 -5.624 0.906 -7.180 1.00 0.00 C ATOM 1514 O TYR A 99 -6.398 0.979 -8.115 1.00 0.00 O ATOM 1515 CB TYR A 99 -3.445 0.157 -6.140 1.00 0.00 C ATOM 1516 CG TYR A 99 -3.811 -0.316 -4.754 1.00 0.00 C ATOM 1517 CD1 TYR A 99 -5.155 -0.450 -4.386 1.00 0.00 C ATOM 1518 CD2 TYR A 99 -2.800 -0.610 -3.828 1.00 0.00 C ATOM 1519 CE1 TYR A 99 -5.488 -0.875 -3.092 1.00 0.00 C ATOM 1520 CE2 TYR A 99 -3.134 -1.033 -2.534 1.00 0.00 C ATOM 1521 CZ TYR A 99 -4.478 -1.166 -2.168 1.00 0.00 C ATOM 1522 OH TYR A 99 -4.807 -1.579 -0.893 1.00 0.00 O ATOM 0 H TYR A 99 -3.942 0.554 -9.023 1.00 0.00 H new ATOM 0 HA TYR A 99 -5.064 -1.119 -6.836 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -2.509 -0.305 -6.455 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -3.282 1.235 -6.134 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -5.935 -0.226 -5.099 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -1.763 -0.510 -4.112 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -6.525 -0.978 -2.808 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -2.355 -1.256 -1.820 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.709 -1.962 -0.896 1.00 0.00 H new ATOM 1532 N HIS A 100 -5.673 1.772 -6.203 1.00 0.00 N ATOM 1533 CA HIS A 100 -6.694 2.860 -6.248 1.00 0.00 C ATOM 1534 C HIS A 100 -6.065 4.146 -6.798 1.00 0.00 C ATOM 1535 O HIS A 100 -4.873 4.221 -7.022 1.00 0.00 O ATOM 1536 CB HIS A 100 -7.192 3.036 -4.811 1.00 0.00 C ATOM 1537 CG HIS A 100 -6.055 3.353 -3.889 1.00 0.00 C ATOM 1538 ND1 HIS A 100 -5.680 4.664 -3.597 1.00 0.00 N ATOM 1539 CD2 HIS A 100 -5.219 2.549 -3.153 1.00 0.00 C ATOM 1540 CE1 HIS A 100 -4.661 4.612 -2.720 1.00 0.00 C ATOM 1541 NE2 HIS A 100 -4.364 3.357 -2.439 1.00 0.00 N ATOM 0 H HIS A 100 -5.061 1.775 -5.387 1.00 0.00 H new ATOM 0 HA HIS A 100 -7.526 2.617 -6.908 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -7.931 3.836 -4.773 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -7.691 2.125 -4.480 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -5.231 1.469 -3.137 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -4.158 5.473 -2.306 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -3.630 3.042 -1.805 1.00 0.00 H new ATOM 1549 N SER A 101 -6.866 5.144 -7.056 1.00 0.00 N ATOM 1550 CA SER A 101 -6.332 6.413 -7.639 1.00 0.00 C ATOM 1551 C SER A 101 -5.389 7.154 -6.678 1.00 0.00 C ATOM 1552 O SER A 101 -4.630 8.007 -7.093 1.00 0.00 O ATOM 1553 CB SER A 101 -7.575 7.259 -7.932 1.00 0.00 C ATOM 1554 OG SER A 101 -8.051 7.833 -6.722 1.00 0.00 O ATOM 0 H SER A 101 -7.872 5.137 -6.888 1.00 0.00 H new ATOM 0 HA SER A 101 -5.733 6.213 -8.528 1.00 0.00 H new ATOM 0 HB2 SER A 101 -7.334 8.043 -8.649 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.351 6.641 -8.384 1.00 0.00 H new ATOM 0 HG SER A 101 -8.928 8.242 -6.877 1.00 0.00 H new ATOM 1560 N ALA A 102 -5.425 6.856 -5.410 1.00 0.00 N ATOM 1561 CA ALA A 102 -4.519 7.576 -4.464 1.00 0.00 C ATOM 1562 C ALA A 102 -3.138 6.904 -4.410 1.00 0.00 C ATOM 1563 O ALA A 102 -2.143 7.550 -4.160 1.00 0.00 O ATOM 1564 CB ALA A 102 -5.218 7.514 -3.104 1.00 0.00 C ATOM 0 H ALA A 102 -6.033 6.154 -4.988 1.00 0.00 H new ATOM 0 HA ALA A 102 -4.343 8.605 -4.776 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.609 8.024 -2.358 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.191 8.001 -3.172 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.353 6.473 -2.812 1.00 0.00 H new ATOM 1570 N GLU A 103 -3.066 5.620 -4.647 1.00 0.00 N ATOM 1571 CA GLU A 103 -1.748 4.917 -4.611 1.00 0.00 C ATOM 1572 C GLU A 103 -0.651 5.775 -5.256 1.00 0.00 C ATOM 1573 O GLU A 103 -0.861 6.399 -6.278 1.00 0.00 O ATOM 1574 CB GLU A 103 -1.974 3.649 -5.436 1.00 0.00 C ATOM 1575 CG GLU A 103 -1.944 3.992 -6.931 1.00 0.00 C ATOM 1576 CD GLU A 103 -2.366 2.771 -7.745 1.00 0.00 C ATOM 1577 OE1 GLU A 103 -1.704 1.753 -7.635 1.00 0.00 O ATOM 1578 OE2 GLU A 103 -3.345 2.874 -8.466 1.00 0.00 O ATOM 0 H GLU A 103 -3.866 5.026 -4.865 1.00 0.00 H new ATOM 0 HA GLU A 103 -1.422 4.709 -3.592 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -1.204 2.912 -5.207 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.932 3.200 -5.175 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -2.613 4.828 -7.136 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -0.942 4.307 -7.222 1.00 0.00 H new ATOM 1585 N LEU A 104 0.524 5.796 -4.685 1.00 0.00 N ATOM 1586 CA LEU A 104 1.624 6.601 -5.292 1.00 0.00 C ATOM 1587 C LEU A 104 2.558 5.699 -6.100 1.00 0.00 C ATOM 1588 O LEU A 104 2.582 4.497 -5.928 1.00 0.00 O ATOM 1589 CB LEU A 104 2.372 7.228 -4.116 1.00 0.00 C ATOM 1590 CG LEU A 104 1.890 8.665 -3.919 1.00 0.00 C ATOM 1591 CD1 LEU A 104 0.424 8.651 -3.489 1.00 0.00 C ATOM 1592 CD2 LEU A 104 2.738 9.341 -2.839 1.00 0.00 C ATOM 0 H LEU A 104 0.769 5.295 -3.831 1.00 0.00 H new ATOM 0 HA LEU A 104 1.241 7.359 -5.975 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.200 6.647 -3.210 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.446 7.215 -4.304 1.00 0.00 H new ATOM 0 HG LEU A 104 1.988 9.218 -4.853 1.00 0.00 H new ATOM 0 HD11 LEU A 104 0.077 9.674 -3.347 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.177 8.167 -4.259 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.325 8.101 -2.553 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.396 10.366 -2.697 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.639 8.792 -1.902 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.783 9.347 -3.148 1.00 0.00 H new ATOM 1604 N HIS A 105 3.329 6.271 -6.985 1.00 0.00 N ATOM 1605 CA HIS A 105 4.259 5.447 -7.807 1.00 0.00 C ATOM 1606 C HIS A 105 5.707 5.870 -7.552 1.00 0.00 C ATOM 1607 O HIS A 105 6.000 7.034 -7.352 1.00 0.00 O ATOM 1608 CB HIS A 105 3.874 5.735 -9.257 1.00 0.00 C ATOM 1609 CG HIS A 105 2.385 5.598 -9.432 1.00 0.00 C ATOM 1610 ND1 HIS A 105 1.669 6.398 -10.309 1.00 0.00 N ATOM 1611 CD2 HIS A 105 1.463 4.757 -8.856 1.00 0.00 C ATOM 1612 CE1 HIS A 105 0.379 6.024 -10.241 1.00 0.00 C ATOM 1613 NE2 HIS A 105 0.198 5.026 -9.370 1.00 0.00 N ATOM 0 H HIS A 105 3.355 7.273 -7.174 1.00 0.00 H new ATOM 0 HA HIS A 105 4.186 4.386 -7.567 1.00 0.00 H new ATOM 0 HB2 HIS A 105 4.190 6.741 -9.533 1.00 0.00 H new ATOM 0 HB3 HIS A 105 4.392 5.045 -9.923 1.00 0.00 H new ATOM 0 HD1 HIS A 105 2.051 7.137 -10.899 1.00 0.00 H new ATOM 0 HD2 HIS A 105 1.686 4.002 -8.117 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -0.414 6.475 -10.819 1.00 0.00 H new ATOM 1621 N LEU A 106 6.615 4.937 -7.559 1.00 0.00 N ATOM 1622 CA LEU A 106 8.042 5.285 -7.320 1.00 0.00 C ATOM 1623 C LEU A 106 8.928 4.636 -8.386 1.00 0.00 C ATOM 1624 O LEU A 106 8.823 3.456 -8.659 1.00 0.00 O ATOM 1625 CB LEU A 106 8.361 4.718 -5.933 1.00 0.00 C ATOM 1626 CG LEU A 106 9.769 5.146 -5.514 1.00 0.00 C ATOM 1627 CD1 LEU A 106 9.938 6.642 -5.775 1.00 0.00 C ATOM 1628 CD2 LEU A 106 9.967 4.870 -4.021 1.00 0.00 C ATOM 0 H LEU A 106 6.431 3.947 -7.720 1.00 0.00 H new ATOM 0 HA LEU A 106 8.221 6.359 -7.370 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.631 5.074 -5.207 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.290 3.630 -5.949 1.00 0.00 H new ATOM 0 HG LEU A 106 10.506 4.584 -6.088 1.00 0.00 H new ATOM 0 HD11 LEU A 106 10.940 6.952 -5.478 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.795 6.845 -6.836 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.200 7.198 -5.197 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.970 5.175 -3.724 1.00 0.00 H new ATOM 0 HD22 LEU A 106 9.232 5.433 -3.446 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.840 3.805 -3.828 1.00 0.00 H new ATOM 1640 N GLY A 107 9.804 5.394 -8.988 1.00 0.00 N ATOM 1641 CA GLY A 107 10.695 4.809 -10.028 1.00 0.00 C ATOM 1642 C GLY A 107 11.477 3.655 -9.405 1.00 0.00 C ATOM 1643 O GLY A 107 11.783 3.665 -8.230 1.00 0.00 O ATOM 0 H GLY A 107 9.940 6.388 -8.805 1.00 0.00 H new ATOM 0 HA2 GLY A 107 10.107 4.454 -10.874 1.00 0.00 H new ATOM 0 HA3 GLY A 107 11.379 5.567 -10.410 1.00 0.00 H new ATOM 1647 N ILE A 108 11.801 2.655 -10.178 1.00 0.00 N ATOM 1648 CA ILE A 108 12.550 1.504 -9.630 1.00 0.00 C ATOM 1649 C ILE A 108 13.865 1.965 -8.999 1.00 0.00 C ATOM 1650 O ILE A 108 14.242 1.512 -7.936 1.00 0.00 O ATOM 1651 CB ILE A 108 12.800 0.632 -10.852 1.00 0.00 C ATOM 1652 CG1 ILE A 108 11.460 0.122 -11.390 1.00 0.00 C ATOM 1653 CG2 ILE A 108 13.677 -0.538 -10.454 1.00 0.00 C ATOM 1654 CD1 ILE A 108 11.665 -0.553 -12.750 1.00 0.00 C ATOM 0 H ILE A 108 11.575 2.591 -11.171 1.00 0.00 H new ATOM 0 HA ILE A 108 12.013 0.978 -8.840 1.00 0.00 H new ATOM 0 HB ILE A 108 13.301 1.210 -11.628 1.00 0.00 H new ATOM 0 HG12 ILE A 108 11.021 -0.585 -10.686 1.00 0.00 H new ATOM 0 HG13 ILE A 108 10.759 0.951 -11.488 1.00 0.00 H new ATOM 0 HG21 ILE A 108 13.861 -1.168 -11.325 1.00 0.00 H new ATOM 0 HG22 ILE A 108 14.626 -0.166 -10.068 1.00 0.00 H new ATOM 0 HG23 ILE A 108 13.176 -1.123 -9.683 1.00 0.00 H new ATOM 0 HD11 ILE A 108 10.707 -0.913 -13.126 1.00 0.00 H new ATOM 0 HD12 ILE A 108 12.084 0.166 -13.454 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.350 -1.393 -12.639 1.00 0.00 H new ATOM 1666 N HIS A 109 14.560 2.866 -9.632 1.00 0.00 N ATOM 1667 CA HIS A 109 15.842 3.357 -9.049 1.00 0.00 C ATOM 1668 C HIS A 109 15.565 4.528 -8.104 1.00 0.00 C ATOM 1669 O HIS A 109 16.472 5.152 -7.586 1.00 0.00 O ATOM 1670 CB HIS A 109 16.686 3.808 -10.242 1.00 0.00 C ATOM 1671 CG HIS A 109 17.052 2.610 -11.078 1.00 0.00 C ATOM 1672 ND1 HIS A 109 17.762 1.537 -10.560 1.00 0.00 N ATOM 1673 CD2 HIS A 109 16.809 2.299 -12.394 1.00 0.00 C ATOM 1674 CE1 HIS A 109 17.919 0.638 -11.550 1.00 0.00 C ATOM 1675 NE2 HIS A 109 17.358 1.054 -12.688 1.00 0.00 N ATOM 0 H HIS A 109 14.299 3.284 -10.525 1.00 0.00 H new ATOM 0 HA HIS A 109 16.355 2.590 -8.469 1.00 0.00 H new ATOM 0 HB2 HIS A 109 16.131 4.528 -10.843 1.00 0.00 H new ATOM 0 HB3 HIS A 109 17.588 4.311 -9.894 1.00 0.00 H new ATOM 0 HD2 HIS A 109 16.274 2.925 -13.093 1.00 0.00 H new ATOM 0 HE1 HIS A 109 18.435 -0.304 -11.437 1.00 0.00 H new ATOM 0 HE2 HIS A 109 17.336 0.564 -13.582 1.00 0.00 H new ATOM 1683 N GLN A 110 14.316 4.822 -7.866 1.00 0.00 N ATOM 1684 CA GLN A 110 13.975 5.943 -6.943 1.00 0.00 C ATOM 1685 C GLN A 110 13.667 5.393 -5.554 1.00 0.00 C ATOM 1686 O GLN A 110 12.952 6.000 -4.782 1.00 0.00 O ATOM 1687 CB GLN A 110 12.729 6.605 -7.535 1.00 0.00 C ATOM 1688 CG GLN A 110 13.102 7.381 -8.798 1.00 0.00 C ATOM 1689 CD GLN A 110 11.903 8.214 -9.250 1.00 0.00 C ATOM 1690 OE1 GLN A 110 11.079 8.598 -8.442 1.00 0.00 O ATOM 1691 NE2 GLN A 110 11.765 8.515 -10.512 1.00 0.00 N ATOM 0 H GLN A 110 13.516 4.335 -8.271 1.00 0.00 H new ATOM 0 HA GLN A 110 14.797 6.652 -6.844 1.00 0.00 H new ATOM 0 HB2 GLN A 110 11.981 5.848 -7.771 1.00 0.00 H new ATOM 0 HB3 GLN A 110 12.282 7.278 -6.803 1.00 0.00 H new ATOM 0 HG2 GLN A 110 13.956 8.029 -8.602 1.00 0.00 H new ATOM 0 HG3 GLN A 110 13.399 6.691 -9.588 1.00 0.00 H new ATOM 0 HE21 GLN A 110 12.455 8.194 -11.191 1.00 0.00 H new ATOM 0 HE22 GLN A 110 10.967 9.071 -10.819 1.00 0.00 H new ATOM 1700 N LEU A 111 14.194 4.247 -5.228 1.00 0.00 N ATOM 1701 CA LEU A 111 13.919 3.674 -3.887 1.00 0.00 C ATOM 1702 C LEU A 111 14.671 4.462 -2.822 1.00 0.00 C ATOM 1703 O LEU A 111 15.863 4.322 -2.631 1.00 0.00 O ATOM 1704 CB LEU A 111 14.404 2.224 -3.948 1.00 0.00 C ATOM 1705 CG LEU A 111 13.402 1.315 -4.695 1.00 0.00 C ATOM 1706 CD1 LEU A 111 13.036 0.144 -3.789 1.00 0.00 C ATOM 1707 CD2 LEU A 111 12.113 2.065 -5.076 1.00 0.00 C ATOM 0 H LEU A 111 14.799 3.687 -5.829 1.00 0.00 H new ATOM 0 HA LEU A 111 12.861 3.721 -3.627 1.00 0.00 H new ATOM 0 HB2 LEU A 111 15.372 2.185 -4.447 1.00 0.00 H new ATOM 0 HB3 LEU A 111 14.552 1.847 -2.936 1.00 0.00 H new ATOM 0 HG LEU A 111 13.877 0.974 -5.615 1.00 0.00 H new ATOM 0 HD11 LEU A 111 12.329 -0.507 -4.303 1.00 0.00 H new ATOM 0 HD12 LEU A 111 13.935 -0.420 -3.543 1.00 0.00 H new ATOM 0 HD13 LEU A 111 12.582 0.521 -2.873 1.00 0.00 H new ATOM 0 HD21 LEU A 111 11.439 1.387 -5.599 1.00 0.00 H new ATOM 0 HD22 LEU A 111 11.627 2.435 -4.173 1.00 0.00 H new ATOM 0 HD23 LEU A 111 12.359 2.905 -5.726 1.00 0.00 H new ATOM 1719 N GLU A 112 13.947 5.295 -2.143 1.00 0.00 N ATOM 1720 CA GLU A 112 14.523 6.158 -1.070 1.00 0.00 C ATOM 1721 C GLU A 112 13.500 7.242 -0.740 1.00 0.00 C ATOM 1722 O GLU A 112 13.429 7.740 0.365 1.00 0.00 O ATOM 1723 CB GLU A 112 15.782 6.785 -1.666 1.00 0.00 C ATOM 1724 CG GLU A 112 15.451 7.367 -3.037 1.00 0.00 C ATOM 1725 CD GLU A 112 16.730 7.894 -3.686 1.00 0.00 C ATOM 1726 OE1 GLU A 112 17.382 7.126 -4.373 1.00 0.00 O ATOM 1727 OE2 GLU A 112 17.038 9.057 -3.481 1.00 0.00 O ATOM 0 H GLU A 112 12.945 5.422 -2.288 1.00 0.00 H new ATOM 0 HA GLU A 112 14.759 5.606 -0.161 1.00 0.00 H new ATOM 0 HB2 GLU A 112 16.160 7.567 -1.007 1.00 0.00 H new ATOM 0 HB3 GLU A 112 16.568 6.036 -1.756 1.00 0.00 H new ATOM 0 HG2 GLU A 112 14.997 6.603 -3.669 1.00 0.00 H new ATOM 0 HG3 GLU A 112 14.723 8.172 -2.937 1.00 0.00 H new ATOM 1734 N GLN A 113 12.695 7.592 -1.709 1.00 0.00 N ATOM 1735 CA GLN A 113 11.642 8.627 -1.490 1.00 0.00 C ATOM 1736 C GLN A 113 10.423 7.980 -0.827 1.00 0.00 C ATOM 1737 O GLN A 113 9.451 8.635 -0.512 1.00 0.00 O ATOM 1738 CB GLN A 113 11.282 9.116 -2.888 1.00 0.00 C ATOM 1739 CG GLN A 113 12.438 9.941 -3.451 1.00 0.00 C ATOM 1740 CD GLN A 113 12.249 10.122 -4.955 1.00 0.00 C ATOM 1741 OE1 GLN A 113 11.153 9.987 -5.461 1.00 0.00 O ATOM 1742 NE2 GLN A 113 13.278 10.422 -5.697 1.00 0.00 N ATOM 0 H GLN A 113 12.723 7.201 -2.651 1.00 0.00 H new ATOM 0 HA GLN A 113 11.976 9.440 -0.845 1.00 0.00 H new ATOM 0 HB2 GLN A 113 11.075 8.267 -3.540 1.00 0.00 H new ATOM 0 HB3 GLN A 113 10.375 9.719 -2.852 1.00 0.00 H new ATOM 0 HG2 GLN A 113 12.479 10.913 -2.959 1.00 0.00 H new ATOM 0 HG3 GLN A 113 13.386 9.442 -3.250 1.00 0.00 H new ATOM 0 HE21 GLN A 113 14.198 10.535 -5.271 1.00 0.00 H new ATOM 0 HE22 GLN A 113 13.163 10.544 -6.703 1.00 0.00 H new ATOM 1751 N LEU A 114 10.470 6.690 -0.624 1.00 0.00 N ATOM 1752 CA LEU A 114 9.320 5.982 0.002 1.00 0.00 C ATOM 1753 C LEU A 114 8.829 6.701 1.265 1.00 0.00 C ATOM 1754 O LEU A 114 7.644 6.871 1.429 1.00 0.00 O ATOM 1755 CB LEU A 114 9.847 4.592 0.350 1.00 0.00 C ATOM 1756 CG LEU A 114 9.918 3.731 -0.914 1.00 0.00 C ATOM 1757 CD1 LEU A 114 11.370 3.333 -1.182 1.00 0.00 C ATOM 1758 CD2 LEU A 114 9.082 2.465 -0.722 1.00 0.00 C ATOM 0 H LEU A 114 11.262 6.094 -0.867 1.00 0.00 H new ATOM 0 HA LEU A 114 8.465 5.946 -0.674 1.00 0.00 H new ATOM 0 HB2 LEU A 114 10.835 4.671 0.803 1.00 0.00 H new ATOM 0 HB3 LEU A 114 9.196 4.120 1.086 1.00 0.00 H new ATOM 0 HG LEU A 114 9.531 4.303 -1.757 1.00 0.00 H new ATOM 0 HD11 LEU A 114 11.419 2.720 -2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 114 11.974 4.230 -1.320 1.00 0.00 H new ATOM 0 HD13 LEU A 114 11.754 2.765 -0.335 1.00 0.00 H new ATOM 0 HD21 LEU A 114 9.134 1.854 -1.623 1.00 0.00 H new ATOM 0 HD22 LEU A 114 9.470 1.898 0.124 1.00 0.00 H new ATOM 0 HD23 LEU A 114 8.045 2.740 -0.530 1.00 0.00 H new ATOM 1770 N PRO A 115 9.727 7.095 2.135 1.00 0.00 N ATOM 1771 CA PRO A 115 9.298 7.783 3.379 1.00 0.00 C ATOM 1772 C PRO A 115 8.612 9.097 3.031 1.00 0.00 C ATOM 1773 O PRO A 115 7.556 9.408 3.545 1.00 0.00 O ATOM 1774 CB PRO A 115 10.600 7.985 4.152 1.00 0.00 C ATOM 1775 CG PRO A 115 11.663 7.946 3.106 1.00 0.00 C ATOM 1776 CD PRO A 115 11.186 6.960 2.070 1.00 0.00 C ATOM 0 HA PRO A 115 8.572 7.224 3.968 1.00 0.00 H new ATOM 0 HB2 PRO A 115 10.602 8.936 4.685 1.00 0.00 H new ATOM 0 HB3 PRO A 115 10.746 7.202 4.896 1.00 0.00 H new ATOM 0 HG2 PRO A 115 11.815 8.932 2.666 1.00 0.00 H new ATOM 0 HG3 PRO A 115 12.618 7.636 3.531 1.00 0.00 H new ATOM 0 HD2 PRO A 115 11.570 7.199 1.078 1.00 0.00 H new ATOM 0 HD3 PRO A 115 11.508 5.945 2.300 1.00 0.00 H new ATOM 1784 N TYR A 116 9.171 9.856 2.135 1.00 0.00 N ATOM 1785 CA TYR A 116 8.502 11.121 1.746 1.00 0.00 C ATOM 1786 C TYR A 116 7.292 10.767 0.868 1.00 0.00 C ATOM 1787 O TYR A 116 6.281 11.441 0.883 1.00 0.00 O ATOM 1788 CB TYR A 116 9.592 11.937 1.035 1.00 0.00 C ATOM 1789 CG TYR A 116 9.247 12.224 -0.402 1.00 0.00 C ATOM 1790 CD1 TYR A 116 8.162 13.044 -0.719 1.00 0.00 C ATOM 1791 CD2 TYR A 116 10.039 11.682 -1.415 1.00 0.00 C ATOM 1792 CE1 TYR A 116 7.871 13.325 -2.059 1.00 0.00 C ATOM 1793 CE2 TYR A 116 9.756 11.963 -2.753 1.00 0.00 C ATOM 1794 CZ TYR A 116 8.668 12.784 -3.077 1.00 0.00 C ATOM 1795 OH TYR A 116 8.386 13.066 -4.398 1.00 0.00 O ATOM 0 H TYR A 116 10.052 9.658 1.661 1.00 0.00 H new ATOM 0 HA TYR A 116 8.103 11.711 2.571 1.00 0.00 H new ATOM 0 HB2 TYR A 116 9.742 12.878 1.565 1.00 0.00 H new ATOM 0 HB3 TYR A 116 10.536 11.393 1.078 1.00 0.00 H new ATOM 0 HD1 TYR A 116 7.549 13.460 0.067 1.00 0.00 H new ATOM 0 HD2 TYR A 116 10.873 11.044 -1.163 1.00 0.00 H new ATOM 0 HE1 TYR A 116 7.033 13.958 -2.308 1.00 0.00 H new ATOM 0 HE2 TYR A 116 10.374 11.549 -3.536 1.00 0.00 H new ATOM 0 HH TYR A 116 9.036 12.613 -4.975 1.00 0.00 H new ATOM 1805 N GLN A 117 7.370 9.669 0.154 1.00 0.00 N ATOM 1806 CA GLN A 117 6.206 9.224 -0.667 1.00 0.00 C ATOM 1807 C GLN A 117 5.145 8.654 0.273 1.00 0.00 C ATOM 1808 O GLN A 117 3.961 8.817 0.072 1.00 0.00 O ATOM 1809 CB GLN A 117 6.746 8.129 -1.593 1.00 0.00 C ATOM 1810 CG GLN A 117 7.397 8.768 -2.819 1.00 0.00 C ATOM 1811 CD GLN A 117 6.356 8.911 -3.930 1.00 0.00 C ATOM 1812 OE1 GLN A 117 5.673 7.964 -4.262 1.00 0.00 O ATOM 1813 NE2 GLN A 117 6.201 10.064 -4.520 1.00 0.00 N ATOM 0 H GLN A 117 8.190 9.064 0.106 1.00 0.00 H new ATOM 0 HA GLN A 117 5.757 10.034 -1.242 1.00 0.00 H new ATOM 0 HB2 GLN A 117 7.473 7.515 -1.061 1.00 0.00 H new ATOM 0 HB3 GLN A 117 5.936 7.468 -1.902 1.00 0.00 H new ATOM 0 HG2 GLN A 117 7.805 9.745 -2.560 1.00 0.00 H new ATOM 0 HG3 GLN A 117 8.230 8.155 -3.163 1.00 0.00 H new ATOM 0 HE21 GLN A 117 6.774 10.860 -4.242 1.00 0.00 H new ATOM 0 HE22 GLN A 117 5.506 10.169 -5.260 1.00 0.00 H new ATOM 1822 N VAL A 118 5.582 7.994 1.314 1.00 0.00 N ATOM 1823 CA VAL A 118 4.633 7.413 2.302 1.00 0.00 C ATOM 1824 C VAL A 118 3.903 8.552 3.019 1.00 0.00 C ATOM 1825 O VAL A 118 2.693 8.586 3.069 1.00 0.00 O ATOM 1826 CB VAL A 118 5.518 6.606 3.269 1.00 0.00 C ATOM 1827 CG1 VAL A 118 4.902 6.582 4.674 1.00 0.00 C ATOM 1828 CG2 VAL A 118 5.642 5.169 2.756 1.00 0.00 C ATOM 0 H VAL A 118 6.568 7.833 1.521 1.00 0.00 H new ATOM 0 HA VAL A 118 3.868 6.779 1.853 1.00 0.00 H new ATOM 0 HB VAL A 118 6.499 7.077 3.321 1.00 0.00 H new ATOM 0 HG11 VAL A 118 5.543 6.007 5.342 1.00 0.00 H new ATOM 0 HG12 VAL A 118 4.810 7.602 5.048 1.00 0.00 H new ATOM 0 HG13 VAL A 118 3.915 6.121 4.631 1.00 0.00 H new ATOM 0 HG21 VAL A 118 6.268 4.592 3.437 1.00 0.00 H new ATOM 0 HG22 VAL A 118 4.652 4.716 2.701 1.00 0.00 H new ATOM 0 HG23 VAL A 118 6.094 5.174 1.764 1.00 0.00 H new ATOM 1838 N ASP A 119 4.628 9.500 3.551 1.00 0.00 N ATOM 1839 CA ASP A 119 3.953 10.636 4.234 1.00 0.00 C ATOM 1840 C ASP A 119 3.043 11.337 3.229 1.00 0.00 C ATOM 1841 O ASP A 119 1.927 11.711 3.536 1.00 0.00 O ATOM 1842 CB ASP A 119 5.080 11.561 4.694 1.00 0.00 C ATOM 1843 CG ASP A 119 5.846 10.900 5.842 1.00 0.00 C ATOM 1844 OD1 ASP A 119 5.216 10.562 6.832 1.00 0.00 O ATOM 1845 OD2 ASP A 119 7.047 10.740 5.713 1.00 0.00 O ATOM 0 H ASP A 119 5.647 9.535 3.542 1.00 0.00 H new ATOM 0 HA ASP A 119 3.338 10.325 5.079 1.00 0.00 H new ATOM 0 HB2 ASP A 119 5.755 11.769 3.864 1.00 0.00 H new ATOM 0 HB3 ASP A 119 4.670 12.517 5.019 1.00 0.00 H new ATOM 1850 N ALA A 120 3.498 11.481 2.013 1.00 0.00 N ATOM 1851 CA ALA A 120 2.646 12.115 0.974 1.00 0.00 C ATOM 1852 C ALA A 120 1.522 11.143 0.615 1.00 0.00 C ATOM 1853 O ALA A 120 0.385 11.527 0.416 1.00 0.00 O ATOM 1854 CB ALA A 120 3.568 12.337 -0.227 1.00 0.00 C ATOM 0 H ALA A 120 4.422 11.186 1.698 1.00 0.00 H new ATOM 0 HA ALA A 120 2.196 13.052 1.301 1.00 0.00 H new ATOM 0 HB1 ALA A 120 3.006 12.803 -1.036 1.00 0.00 H new ATOM 0 HB2 ALA A 120 4.393 12.987 0.063 1.00 0.00 H new ATOM 0 HB3 ALA A 120 3.962 11.379 -0.565 1.00 0.00 H new ATOM 1860 N ALA A 121 1.841 9.877 0.538 1.00 0.00 N ATOM 1861 CA ALA A 121 0.811 8.862 0.200 1.00 0.00 C ATOM 1862 C ALA A 121 -0.273 8.815 1.283 1.00 0.00 C ATOM 1863 O ALA A 121 -1.444 8.686 0.989 1.00 0.00 O ATOM 1864 CB ALA A 121 1.579 7.538 0.126 1.00 0.00 C ATOM 0 H ALA A 121 2.777 9.505 0.696 1.00 0.00 H new ATOM 0 HA ALA A 121 0.296 9.085 -0.735 1.00 0.00 H new ATOM 0 HB1 ALA A 121 0.889 6.731 -0.120 1.00 0.00 H new ATOM 0 HB2 ALA A 121 2.348 7.606 -0.644 1.00 0.00 H new ATOM 0 HB3 ALA A 121 2.047 7.334 1.089 1.00 0.00 H new ATOM 1870 N LEU A 122 0.099 8.927 2.529 1.00 0.00 N ATOM 1871 CA LEU A 122 -0.934 8.891 3.606 1.00 0.00 C ATOM 1872 C LEU A 122 -1.859 10.101 3.478 1.00 0.00 C ATOM 1873 O LEU A 122 -3.063 9.965 3.405 1.00 0.00 O ATOM 1874 CB LEU A 122 -0.151 8.957 4.918 1.00 0.00 C ATOM 1875 CG LEU A 122 0.839 7.796 4.987 1.00 0.00 C ATOM 1876 CD1 LEU A 122 2.040 8.211 5.835 1.00 0.00 C ATOM 1877 CD2 LEU A 122 0.166 6.577 5.625 1.00 0.00 C ATOM 0 H LEU A 122 1.062 9.041 2.847 1.00 0.00 H new ATOM 0 HA LEU A 122 -1.557 7.998 3.551 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.381 9.906 4.987 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.837 8.913 5.764 1.00 0.00 H new ATOM 0 HG LEU A 122 1.167 7.539 3.980 1.00 0.00 H new ATOM 0 HD11 LEU A 122 2.750 7.386 5.888 1.00 0.00 H new ATOM 0 HD12 LEU A 122 2.523 9.077 5.383 1.00 0.00 H new ATOM 0 HD13 LEU A 122 1.705 8.466 6.840 1.00 0.00 H new ATOM 0 HD21 LEU A 122 0.877 5.752 5.672 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.164 6.829 6.633 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -0.695 6.281 5.025 1.00 0.00 H new ATOM 1889 N ALA A 123 -1.305 11.282 3.434 1.00 0.00 N ATOM 1890 CA ALA A 123 -2.162 12.492 3.294 1.00 0.00 C ATOM 1891 C ALA A 123 -2.915 12.426 1.966 1.00 0.00 C ATOM 1892 O ALA A 123 -4.055 12.839 1.863 1.00 0.00 O ATOM 1893 CB ALA A 123 -1.194 13.677 3.309 1.00 0.00 C ATOM 0 H ALA A 123 -0.302 11.460 3.489 1.00 0.00 H new ATOM 0 HA ALA A 123 -2.904 12.576 4.088 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -1.755 14.606 3.210 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -0.643 13.685 4.249 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -0.494 13.585 2.479 1.00 0.00 H new ATOM 1899 N GLU A 124 -2.284 11.903 0.950 1.00 0.00 N ATOM 1900 CA GLU A 124 -2.961 11.802 -0.370 1.00 0.00 C ATOM 1901 C GLU A 124 -4.132 10.822 -0.284 1.00 0.00 C ATOM 1902 O GLU A 124 -5.203 11.073 -0.801 1.00 0.00 O ATOM 1903 CB GLU A 124 -1.890 11.282 -1.327 1.00 0.00 C ATOM 1904 CG GLU A 124 -2.357 11.481 -2.770 1.00 0.00 C ATOM 1905 CD GLU A 124 -2.425 12.978 -3.076 1.00 0.00 C ATOM 1906 OE1 GLU A 124 -1.375 13.578 -3.241 1.00 0.00 O ATOM 1907 OE2 GLU A 124 -3.526 13.500 -3.137 1.00 0.00 O ATOM 0 H GLU A 124 -1.330 11.542 0.979 1.00 0.00 H new ATOM 0 HA GLU A 124 -3.369 12.757 -0.702 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -0.951 11.810 -1.161 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -1.699 10.226 -1.137 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -1.670 10.988 -3.458 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -3.336 11.024 -2.914 1.00 0.00 H new ATOM 1914 N PHE A 125 -3.937 9.707 0.366 1.00 0.00 N ATOM 1915 CA PHE A 125 -5.047 8.720 0.487 1.00 0.00 C ATOM 1916 C PHE A 125 -6.238 9.352 1.202 1.00 0.00 C ATOM 1917 O PHE A 125 -7.378 9.089 0.880 1.00 0.00 O ATOM 1918 CB PHE A 125 -4.483 7.566 1.314 1.00 0.00 C ATOM 1919 CG PHE A 125 -5.528 6.480 1.419 1.00 0.00 C ATOM 1920 CD1 PHE A 125 -5.608 5.492 0.429 1.00 0.00 C ATOM 1921 CD2 PHE A 125 -6.419 6.463 2.499 1.00 0.00 C ATOM 1922 CE1 PHE A 125 -6.578 4.489 0.520 1.00 0.00 C ATOM 1923 CE2 PHE A 125 -7.391 5.460 2.589 1.00 0.00 C ATOM 1924 CZ PHE A 125 -7.469 4.472 1.600 1.00 0.00 C ATOM 0 H PHE A 125 -3.062 9.438 0.816 1.00 0.00 H new ATOM 0 HA PHE A 125 -5.397 8.383 -0.488 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -3.579 7.175 0.847 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -4.203 7.916 2.307 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -4.921 5.505 -0.404 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -6.356 7.224 3.263 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -6.640 3.727 -0.243 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -8.080 5.448 3.420 1.00 0.00 H new ATOM 0 HZ PHE A 125 -8.217 3.696 1.670 1.00 0.00 H new ATOM 1934 N LEU A 126 -5.982 10.171 2.183 1.00 0.00 N ATOM 1935 CA LEU A 126 -7.102 10.805 2.931 1.00 0.00 C ATOM 1936 C LEU A 126 -7.863 11.790 2.042 1.00 0.00 C ATOM 1937 O LEU A 126 -9.074 11.876 2.093 1.00 0.00 O ATOM 1938 CB LEU A 126 -6.429 11.514 4.101 1.00 0.00 C ATOM 1939 CG LEU A 126 -5.687 10.475 4.942 1.00 0.00 C ATOM 1940 CD1 LEU A 126 -5.006 11.153 6.131 1.00 0.00 C ATOM 1941 CD2 LEU A 126 -6.686 9.433 5.449 1.00 0.00 C ATOM 0 H LEU A 126 -5.047 10.428 2.499 1.00 0.00 H new ATOM 0 HA LEU A 126 -7.842 10.079 3.267 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -5.734 12.270 3.736 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.172 12.031 4.708 1.00 0.00 H new ATOM 0 HG LEU A 126 -4.927 9.990 4.329 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -4.480 10.405 6.724 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -4.294 11.895 5.768 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -5.758 11.644 6.749 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -6.163 8.689 6.050 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -7.445 9.923 6.059 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -7.163 8.943 4.600 1.00 0.00 H new ATOM 1953 N ARG A 127 -7.170 12.532 1.226 1.00 0.00 N ATOM 1954 CA ARG A 127 -7.871 13.501 0.336 1.00 0.00 C ATOM 1955 C ARG A 127 -8.838 12.751 -0.590 1.00 0.00 C ATOM 1956 O ARG A 127 -9.934 13.202 -0.856 1.00 0.00 O ATOM 1957 CB ARG A 127 -6.759 14.183 -0.465 1.00 0.00 C ATOM 1958 CG ARG A 127 -7.322 15.415 -1.182 1.00 0.00 C ATOM 1959 CD ARG A 127 -7.562 16.540 -0.166 1.00 0.00 C ATOM 1960 NE ARG A 127 -8.249 17.617 -0.935 1.00 0.00 N ATOM 1961 CZ ARG A 127 -7.571 18.354 -1.776 1.00 0.00 C ATOM 1962 NH1 ARG A 127 -6.285 18.178 -1.905 1.00 0.00 N ATOM 1963 NH2 ARG A 127 -8.176 19.276 -2.476 1.00 0.00 N ATOM 0 H ARG A 127 -6.154 12.511 1.136 1.00 0.00 H new ATOM 0 HA ARG A 127 -8.465 14.227 0.891 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -5.946 14.476 0.199 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -6.341 13.486 -1.192 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -6.626 15.749 -1.952 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -8.255 15.160 -1.685 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -8.177 16.196 0.666 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -6.623 16.896 0.258 1.00 0.00 H new ATOM 0 HE ARG A 127 -9.248 17.779 -0.805 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -5.809 17.466 -1.350 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -5.755 18.752 -2.561 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -9.180 19.422 -2.367 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -7.645 19.850 -3.131 1.00 0.00 H new ATOM 1977 N LEU A 128 -8.439 11.607 -1.080 1.00 0.00 N ATOM 1978 CA LEU A 128 -9.335 10.827 -1.986 1.00 0.00 C ATOM 1979 C LEU A 128 -10.112 9.763 -1.209 1.00 0.00 C ATOM 1980 O LEU A 128 -10.996 9.120 -1.741 1.00 0.00 O ATOM 1981 CB LEU A 128 -8.403 10.166 -2.999 1.00 0.00 C ATOM 1982 CG LEU A 128 -8.185 11.106 -4.185 1.00 0.00 C ATOM 1983 CD1 LEU A 128 -7.458 12.364 -3.713 1.00 0.00 C ATOM 1984 CD2 LEU A 128 -7.341 10.399 -5.248 1.00 0.00 C ATOM 0 H LEU A 128 -7.532 11.179 -0.893 1.00 0.00 H new ATOM 0 HA LEU A 128 -10.077 11.468 -2.463 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -7.448 9.929 -2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -8.832 9.224 -3.342 1.00 0.00 H new ATOM 0 HG LEU A 128 -9.150 11.382 -4.610 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -7.303 13.034 -4.559 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -8.058 12.869 -2.956 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -6.493 12.088 -3.287 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -7.185 11.069 -6.094 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -6.377 10.122 -4.822 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -7.859 9.502 -5.586 1.00 0.00 H new ATOM 1996 N ALA A 129 -9.795 9.556 0.040 1.00 0.00 N ATOM 1997 CA ALA A 129 -10.531 8.518 0.819 1.00 0.00 C ATOM 1998 C ALA A 129 -11.967 8.980 1.093 1.00 0.00 C ATOM 1999 O ALA A 129 -12.177 10.087 1.550 1.00 0.00 O ATOM 2000 CB ALA A 129 -9.764 8.367 2.131 1.00 0.00 C ATOM 0 H ALA A 129 -9.066 10.054 0.551 1.00 0.00 H new ATOM 0 HA ALA A 129 -10.593 7.574 0.277 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -10.252 7.617 2.754 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -8.741 8.054 1.921 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -9.750 9.322 2.657 1.00 0.00 H new ATOM 2006 N PRO A 130 -12.918 8.121 0.811 1.00 0.00 N ATOM 2007 CA PRO A 130 -12.622 6.773 0.253 1.00 0.00 C ATOM 2008 C PRO A 130 -12.284 6.870 -1.243 1.00 0.00 C ATOM 2009 O PRO A 130 -13.112 7.242 -2.051 1.00 0.00 O ATOM 2010 CB PRO A 130 -13.924 6.011 0.457 1.00 0.00 C ATOM 2011 CG PRO A 130 -14.987 7.061 0.502 1.00 0.00 C ATOM 2012 CD PRO A 130 -14.355 8.332 1.002 1.00 0.00 C ATOM 0 HA PRO A 130 -11.767 6.293 0.729 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -14.100 5.307 -0.356 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -13.902 5.433 1.381 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -15.417 7.212 -0.488 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -15.800 6.754 1.160 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -14.708 9.198 0.443 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -14.595 8.510 2.050 1.00 0.00 H new ATOM 2020 N VAL A 131 -11.074 6.539 -1.618 1.00 0.00 N ATOM 2021 CA VAL A 131 -10.692 6.614 -3.062 1.00 0.00 C ATOM 2022 C VAL A 131 -11.561 5.671 -3.901 1.00 0.00 C ATOM 2023 O VAL A 131 -12.273 4.834 -3.382 1.00 0.00 O ATOM 2024 CB VAL A 131 -9.225 6.181 -3.132 1.00 0.00 C ATOM 2025 CG1 VAL A 131 -8.344 7.204 -2.415 1.00 0.00 C ATOM 2026 CG2 VAL A 131 -9.055 4.819 -2.463 1.00 0.00 C ATOM 0 H VAL A 131 -10.336 6.221 -0.990 1.00 0.00 H new ATOM 0 HA VAL A 131 -10.836 7.620 -3.457 1.00 0.00 H new ATOM 0 HB VAL A 131 -8.928 6.115 -4.179 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -7.302 6.889 -2.469 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -8.454 8.177 -2.893 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -8.647 7.277 -1.370 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -8.009 4.516 -2.516 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -9.361 4.886 -1.419 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -9.673 4.082 -2.976 1.00 0.00 H new ATOM 2036 N GLU A 132 -11.510 5.810 -5.198 1.00 0.00 N ATOM 2037 CA GLU A 132 -12.334 4.936 -6.080 1.00 0.00 C ATOM 2038 C GLU A 132 -11.552 3.679 -6.481 1.00 0.00 C ATOM 2039 O GLU A 132 -10.715 3.714 -7.361 1.00 0.00 O ATOM 2040 CB GLU A 132 -12.622 5.797 -7.310 1.00 0.00 C ATOM 2041 CG GLU A 132 -13.228 7.125 -6.863 1.00 0.00 C ATOM 2042 CD GLU A 132 -13.424 8.032 -8.077 1.00 0.00 C ATOM 2043 OE1 GLU A 132 -12.460 8.657 -8.487 1.00 0.00 O ATOM 2044 OE2 GLU A 132 -14.536 8.087 -8.577 1.00 0.00 O ATOM 0 H GLU A 132 -10.931 6.494 -5.686 1.00 0.00 H new ATOM 0 HA GLU A 132 -13.243 4.593 -5.587 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -11.703 5.973 -7.869 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -13.308 5.278 -7.980 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -14.183 6.952 -6.367 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -12.575 7.608 -6.137 1.00 0.00 H new ATOM 2051 N THR A 133 -11.835 2.564 -5.860 1.00 0.00 N ATOM 2052 CA THR A 133 -11.119 1.307 -6.231 1.00 0.00 C ATOM 2053 C THR A 133 -12.000 0.502 -7.195 1.00 0.00 C ATOM 2054 O THR A 133 -13.065 0.042 -6.835 1.00 0.00 O ATOM 2055 CB THR A 133 -10.919 0.541 -4.919 1.00 0.00 C ATOM 2056 OG1 THR A 133 -11.981 0.846 -4.027 1.00 0.00 O ATOM 2057 CG2 THR A 133 -9.581 0.934 -4.279 1.00 0.00 C ATOM 0 H THR A 133 -12.527 2.469 -5.116 1.00 0.00 H new ATOM 0 HA THR A 133 -10.165 1.496 -6.723 1.00 0.00 H new ATOM 0 HB THR A 133 -10.912 -0.529 -5.127 1.00 0.00 H new ATOM 0 HG1 THR A 133 -11.855 0.355 -3.188 1.00 0.00 H new ATOM 0 HG21 THR A 133 -9.448 0.384 -3.347 1.00 0.00 H new ATOM 0 HG22 THR A 133 -8.766 0.693 -4.962 1.00 0.00 H new ATOM 0 HG23 THR A 133 -9.577 2.004 -4.073 1.00 0.00 H new ATOM 2065 N MET A 134 -11.581 0.341 -8.421 1.00 0.00 N ATOM 2066 CA MET A 134 -12.413 -0.418 -9.404 1.00 0.00 C ATOM 2067 C MET A 134 -12.689 -1.843 -8.914 1.00 0.00 C ATOM 2068 O MET A 134 -13.760 -2.378 -9.120 1.00 0.00 O ATOM 2069 CB MET A 134 -11.585 -0.441 -10.688 1.00 0.00 C ATOM 2070 CG MET A 134 -11.544 0.964 -11.291 1.00 0.00 C ATOM 2071 SD MET A 134 -10.257 1.039 -12.559 1.00 0.00 S ATOM 2072 CE MET A 134 -8.941 1.669 -11.490 1.00 0.00 C ATOM 0 H MET A 134 -10.699 0.701 -8.786 1.00 0.00 H new ATOM 0 HA MET A 134 -13.388 0.047 -9.550 1.00 0.00 H new ATOM 0 HB2 MET A 134 -10.574 -0.787 -10.475 1.00 0.00 H new ATOM 0 HB3 MET A 134 -12.019 -1.142 -11.401 1.00 0.00 H new ATOM 0 HG2 MET A 134 -12.512 1.213 -11.725 1.00 0.00 H new ATOM 0 HG3 MET A 134 -11.345 1.700 -10.512 1.00 0.00 H new ATOM 0 HE1 MET A 134 -8.029 1.796 -12.073 1.00 0.00 H new ATOM 0 HE2 MET A 134 -9.241 2.630 -11.071 1.00 0.00 H new ATOM 0 HE3 MET A 134 -8.759 0.961 -10.681 1.00 0.00 H new ATOM 2082 N ALA A 135 -11.737 -2.461 -8.274 1.00 0.00 N ATOM 2083 CA ALA A 135 -11.960 -3.851 -7.782 1.00 0.00 C ATOM 2084 C ALA A 135 -12.718 -3.824 -6.453 1.00 0.00 C ATOM 2085 O ALA A 135 -12.095 -3.533 -5.445 1.00 0.00 O ATOM 2086 CB ALA A 135 -10.562 -4.435 -7.591 1.00 0.00 C ATOM 2087 OXT ALA A 135 -13.909 -4.089 -6.466 1.00 0.00 O ATOM 0 H ALA A 135 -10.818 -2.068 -8.070 1.00 0.00 H new ATOM 0 HA ALA A 135 -12.556 -4.444 -8.476 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -10.642 -5.460 -7.229 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -10.031 -4.427 -8.543 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -10.013 -3.836 -6.864 1.00 0.00 H new