USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 778 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 68 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 46 SER OG : rot -120:sc= 1.02 USER MOD Set 2.2: A 48 SER OG : rot -5:sc= -2.49 USER MOD Set 3.1: A 29 SER OG : rot -160:sc=-0.00425 USER MOD Set 3.2: A 72 HIS : no HE2:sc= 0.518 K(o=0.93,f=-0.62) USER MOD Set 3.3: B 116 THR OG1 : rot 86:sc= 0.414 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 CYS SG : rot -57:sc= -5.28! USER MOD Single : A 26 SER OG : rot 180:sc= -1.02 USER MOD Single : A 28 SER OG : rot 180:sc= -0.354 USER MOD Single : A 33 GLN : amide:sc= -0.423 K(o=-0.42,f=-2.7!) USER MOD Single : A 34 LYS NZ :NH3+ 161:sc= -0.366 (180deg=-0.588) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -0.335 K(o=-0.33,f=-2.4!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.667 K(o=-0.67,f=-1.9) USER MOD Single : A 63 ASN : amide:sc= -0.364 X(o=-0.36,f=-0.61) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.133 X(o=-0.13,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 166:sc= -0.0109 (180deg=-0.176) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 65:sc= -1.93! USER MOD Single : A 84 SER OG : rot 180:sc= -1.07 USER MOD Single : A 86 THR OG1 : rot -68:sc= 1.34 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 150:sc= -1.34 (180deg=-3.01!) USER MOD Single : A 100 THR OG1 : rot -37:sc= 1.02 USER MOD Single : B 111 THR OG1 : rot -25:sc= 0.183 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 9 -4.050 -4.237 -15.513 1.00 0.00 N ATOM 2 CA LYS A 9 -3.729 -2.842 -15.912 1.00 0.00 C ATOM 3 C LYS A 9 -3.132 -2.059 -14.748 1.00 0.00 C ATOM 4 O LYS A 9 -3.854 -1.425 -13.978 1.00 0.00 O ATOM 5 CB LYS A 9 -5.012 -2.166 -16.398 1.00 0.00 C ATOM 6 CG LYS A 9 -5.266 -2.342 -17.888 1.00 0.00 C ATOM 7 CD LYS A 9 -4.881 -1.096 -18.674 1.00 0.00 C ATOM 8 CE LYS A 9 -6.060 -0.540 -19.454 1.00 0.00 C ATOM 9 NZ LYS A 9 -5.662 -0.086 -20.815 1.00 0.00 N ATOM 0 HA LYS A 9 -2.987 -2.861 -16.711 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.859 -2.571 -15.843 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.961 -1.101 -16.170 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.697 -3.195 -18.256 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.320 -2.566 -18.054 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.505 -0.335 -17.990 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.070 -1.335 -19.361 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.832 -1.304 -19.538 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.496 0.295 -18.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.495 0.286 -21.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.943 0.662 -20.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.269 -0.888 -21.348 1.00 0.00 H new ATOM 25 N GLU A 10 -1.809 -2.105 -14.626 1.00 0.00 N ATOM 26 CA GLU A 10 -1.115 -1.398 -13.555 1.00 0.00 C ATOM 27 C GLU A 10 -1.404 0.098 -13.616 1.00 0.00 C ATOM 28 O GLU A 10 -1.309 0.715 -14.677 1.00 0.00 O ATOM 29 CB GLU A 10 0.392 -1.644 -13.648 1.00 0.00 C ATOM 30 CG GLU A 10 0.763 -3.115 -13.761 1.00 0.00 C ATOM 31 CD GLU A 10 1.582 -3.417 -14.999 1.00 0.00 C ATOM 32 OE1 GLU A 10 1.193 -2.960 -16.096 1.00 0.00 O ATOM 33 OE2 GLU A 10 2.613 -4.112 -14.875 1.00 0.00 O ATOM 0 H GLU A 10 -1.196 -2.624 -15.255 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.480 -1.781 -12.602 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.786 -1.111 -14.513 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.876 -1.223 -12.767 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.326 -3.413 -12.876 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.147 -3.715 -13.777 1.00 0.00 H new ATOM 40 N LYS A 11 -1.756 0.676 -12.473 1.00 0.00 N ATOM 41 CA LYS A 11 -2.060 2.102 -12.403 1.00 0.00 C ATOM 42 C LYS A 11 -0.835 2.902 -11.958 1.00 0.00 C ATOM 43 O LYS A 11 -0.153 2.535 -11.003 1.00 0.00 O ATOM 44 CB LYS A 11 -3.233 2.353 -11.449 1.00 0.00 C ATOM 45 CG LYS A 11 -3.546 3.825 -11.236 1.00 0.00 C ATOM 46 CD LYS A 11 -4.944 4.019 -10.671 1.00 0.00 C ATOM 47 CE LYS A 11 -5.035 3.543 -9.230 1.00 0.00 C ATOM 48 NZ LYS A 11 -6.364 2.947 -8.923 1.00 0.00 N ATOM 0 H LYS A 11 -1.838 0.182 -11.585 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.341 2.437 -13.401 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.120 1.855 -11.840 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.010 1.895 -10.485 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.814 4.259 -10.556 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.457 4.358 -12.183 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.216 5.073 -10.725 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.663 3.473 -11.282 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.255 2.806 -9.042 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.850 4.382 -8.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.384 2.635 -7.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.107 3.658 -9.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.531 2.131 -9.546 1.00 0.00 H new ATOM 62 N LYS A 12 -0.566 3.999 -12.657 1.00 0.00 N ATOM 63 CA LYS A 12 0.573 4.850 -12.334 1.00 0.00 C ATOM 64 C LYS A 12 0.146 6.017 -11.449 1.00 0.00 C ATOM 65 O LYS A 12 -0.949 6.557 -11.604 1.00 0.00 O ATOM 66 CB LYS A 12 1.225 5.377 -13.613 1.00 0.00 C ATOM 67 CG LYS A 12 2.575 6.036 -13.382 1.00 0.00 C ATOM 68 CD LYS A 12 3.523 5.794 -14.545 1.00 0.00 C ATOM 69 CE LYS A 12 4.944 6.220 -14.208 1.00 0.00 C ATOM 70 NZ LYS A 12 5.863 5.054 -14.100 1.00 0.00 N ATOM 0 H LYS A 12 -1.121 4.320 -13.451 1.00 0.00 H new ATOM 0 HA LYS A 12 1.299 4.248 -11.787 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.348 4.552 -14.314 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.554 6.097 -14.082 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.438 7.108 -13.241 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.018 5.648 -12.465 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.513 4.737 -14.809 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.175 6.345 -15.419 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.311 6.901 -14.976 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.944 6.771 -13.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.821 5.387 -13.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.528 4.416 -13.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.883 4.543 -15.005 1.00 0.00 H new ATOM 84 N VAL A 13 1.017 6.401 -10.521 1.00 0.00 N ATOM 85 CA VAL A 13 0.728 7.503 -9.612 1.00 0.00 C ATOM 86 C VAL A 13 2.004 8.230 -9.201 1.00 0.00 C ATOM 87 O VAL A 13 3.087 7.646 -9.189 1.00 0.00 O ATOM 88 CB VAL A 13 0.000 7.011 -8.347 1.00 0.00 C ATOM 89 CG1 VAL A 13 -0.431 8.188 -7.484 1.00 0.00 C ATOM 90 CG2 VAL A 13 -1.195 6.148 -8.720 1.00 0.00 C ATOM 0 H VAL A 13 1.928 5.965 -10.379 1.00 0.00 H new ATOM 0 HA VAL A 13 0.079 8.194 -10.151 1.00 0.00 H new ATOM 0 HB VAL A 13 0.693 6.401 -7.767 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.943 7.819 -6.595 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.447 8.761 -7.185 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.106 8.828 -8.052 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.697 5.810 -7.813 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.891 6.731 -9.324 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.856 5.284 -9.291 1.00 0.00 H new ATOM 100 N PHE A 14 1.866 9.508 -8.861 1.00 0.00 N ATOM 101 CA PHE A 14 3.004 10.318 -8.446 1.00 0.00 C ATOM 102 C PHE A 14 2.673 11.107 -7.183 1.00 0.00 C ATOM 103 O PHE A 14 1.723 11.887 -7.158 1.00 0.00 O ATOM 104 CB PHE A 14 3.413 11.274 -9.566 1.00 0.00 C ATOM 105 CG PHE A 14 4.879 11.601 -9.573 1.00 0.00 C ATOM 106 CD1 PHE A 14 5.502 12.072 -8.430 1.00 0.00 C ATOM 107 CD2 PHE A 14 5.634 11.436 -10.724 1.00 0.00 C ATOM 108 CE1 PHE A 14 6.852 12.373 -8.432 1.00 0.00 C ATOM 109 CE2 PHE A 14 6.983 11.735 -10.732 1.00 0.00 C ATOM 110 CZ PHE A 14 7.592 12.204 -9.586 1.00 0.00 C ATOM 0 H PHE A 14 0.975 10.005 -8.865 1.00 0.00 H new ATOM 0 HA PHE A 14 3.837 9.649 -8.230 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.143 10.833 -10.525 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.844 12.198 -9.469 1.00 0.00 H new ATOM 0 HD1 PHE A 14 4.927 12.206 -7.526 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.163 11.070 -11.624 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.326 12.739 -7.534 1.00 0.00 H new ATOM 0 HE2 PHE A 14 7.561 11.602 -11.635 1.00 0.00 H new ATOM 0 HZ PHE A 14 8.646 12.439 -9.591 1.00 0.00 H new ATOM 120 N ILE A 15 3.460 10.895 -6.132 1.00 0.00 N ATOM 121 CA ILE A 15 3.246 11.584 -4.865 1.00 0.00 C ATOM 122 C ILE A 15 4.380 12.557 -4.562 1.00 0.00 C ATOM 123 O ILE A 15 5.555 12.236 -4.745 1.00 0.00 O ATOM 124 CB ILE A 15 3.114 10.586 -3.699 1.00 0.00 C ATOM 125 CG1 ILE A 15 2.081 9.510 -4.037 1.00 0.00 C ATOM 126 CG2 ILE A 15 2.732 11.312 -2.417 1.00 0.00 C ATOM 127 CD1 ILE A 15 0.697 10.065 -4.299 1.00 0.00 C ATOM 0 H ILE A 15 4.251 10.251 -6.134 1.00 0.00 H new ATOM 0 HA ILE A 15 2.315 12.142 -4.965 1.00 0.00 H new ATOM 0 HB ILE A 15 4.078 10.103 -3.543 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.416 8.959 -4.916 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.028 8.796 -3.215 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.643 10.592 -1.604 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.501 12.044 -2.171 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.778 11.821 -2.557 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.015 9.247 -4.532 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.342 10.591 -3.413 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.736 10.757 -5.141 1.00 0.00 H new ATOM 139 N SER A 16 4.017 13.748 -4.096 1.00 0.00 N ATOM 140 CA SER A 16 4.999 14.773 -3.762 1.00 0.00 C ATOM 141 C SER A 16 4.582 15.532 -2.505 1.00 0.00 C ATOM 142 O SER A 16 3.483 15.333 -1.985 1.00 0.00 O ATOM 143 CB SER A 16 5.166 15.749 -4.928 1.00 0.00 C ATOM 144 OG SER A 16 3.940 15.947 -5.609 1.00 0.00 O ATOM 0 H SER A 16 3.048 14.027 -3.941 1.00 0.00 H new ATOM 0 HA SER A 16 5.953 14.281 -3.571 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.537 16.704 -4.556 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.913 15.365 -5.623 1.00 0.00 H new ATOM 0 HG SER A 16 4.074 16.576 -6.348 1.00 0.00 H new ATOM 150 N LEU A 17 5.463 16.400 -2.021 1.00 0.00 N ATOM 151 CA LEU A 17 5.183 17.186 -0.825 1.00 0.00 C ATOM 152 C LEU A 17 4.250 18.350 -1.145 1.00 0.00 C ATOM 153 O LEU A 17 3.180 18.480 -0.553 1.00 0.00 O ATOM 154 CB LEU A 17 6.486 17.708 -0.214 1.00 0.00 C ATOM 155 CG LEU A 17 6.693 17.358 1.260 1.00 0.00 C ATOM 156 CD1 LEU A 17 5.684 18.092 2.130 1.00 0.00 C ATOM 157 CD2 LEU A 17 6.589 15.856 1.470 1.00 0.00 C ATOM 0 H LEU A 17 6.377 16.577 -2.438 1.00 0.00 H new ATOM 0 HA LEU A 17 4.688 16.538 -0.102 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.324 17.311 -0.787 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.512 18.792 -0.322 1.00 0.00 H new ATOM 0 HG LEU A 17 7.693 17.677 1.553 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.847 17.830 3.176 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.807 19.167 2.002 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.674 17.805 1.837 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.739 15.625 2.525 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.602 15.513 1.160 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.351 15.352 0.876 1.00 0.00 H new ATOM 169 N VAL A 18 4.669 19.196 -2.086 1.00 0.00 N ATOM 170 CA VAL A 18 3.880 20.357 -2.496 1.00 0.00 C ATOM 171 C VAL A 18 3.290 21.090 -1.291 1.00 0.00 C ATOM 172 O VAL A 18 2.146 21.542 -1.324 1.00 0.00 O ATOM 173 CB VAL A 18 2.744 19.953 -3.459 1.00 0.00 C ATOM 174 CG1 VAL A 18 1.743 19.040 -2.765 1.00 0.00 C ATOM 175 CG2 VAL A 18 2.052 21.188 -4.018 1.00 0.00 C ATOM 0 H VAL A 18 5.555 19.098 -2.581 1.00 0.00 H new ATOM 0 HA VAL A 18 4.561 21.031 -3.016 1.00 0.00 H new ATOM 0 HB VAL A 18 3.183 19.401 -4.290 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.952 18.769 -3.464 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.250 18.138 -2.423 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.309 19.559 -1.910 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.254 20.883 -4.695 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.630 21.771 -3.199 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.776 21.796 -4.561 1.00 0.00 H new ATOM 185 N GLY A 19 4.083 21.205 -0.230 1.00 0.00 N ATOM 186 CA GLY A 19 3.623 21.883 0.968 1.00 0.00 C ATOM 187 C GLY A 19 4.128 21.228 2.238 1.00 0.00 C ATOM 188 O GLY A 19 5.330 21.213 2.502 1.00 0.00 O ATOM 0 H GLY A 19 5.035 20.841 -0.179 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.953 22.921 0.943 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.533 21.895 0.978 1.00 0.00 H new ATOM 192 N SER A 20 3.207 20.688 3.030 1.00 0.00 N ATOM 193 CA SER A 20 3.563 20.031 4.282 1.00 0.00 C ATOM 194 C SER A 20 3.080 18.584 4.297 1.00 0.00 C ATOM 195 O SER A 20 3.790 17.686 4.751 1.00 0.00 O ATOM 196 CB SER A 20 2.968 20.790 5.469 1.00 0.00 C ATOM 197 OG SER A 20 3.887 21.738 5.982 1.00 0.00 O ATOM 0 H SER A 20 2.208 20.693 2.826 1.00 0.00 H new ATOM 0 HA SER A 20 4.650 20.033 4.365 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.054 21.296 5.159 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.692 20.085 6.253 1.00 0.00 H new ATOM 0 HG SER A 20 3.481 22.211 6.739 1.00 0.00 H new ATOM 203 N ARG A 21 1.867 18.365 3.799 1.00 0.00 N ATOM 204 CA ARG A 21 1.288 17.027 3.756 1.00 0.00 C ATOM 205 C ARG A 21 2.182 16.068 2.976 1.00 0.00 C ATOM 206 O ARG A 21 2.733 16.425 1.935 1.00 0.00 O ATOM 207 CB ARG A 21 -0.106 17.073 3.125 1.00 0.00 C ATOM 208 CG ARG A 21 -1.156 16.307 3.914 1.00 0.00 C ATOM 209 CD ARG A 21 -2.544 16.892 3.705 1.00 0.00 C ATOM 210 NE ARG A 21 -2.738 18.125 4.467 1.00 0.00 N ATOM 211 CZ ARG A 21 -3.924 18.697 4.659 1.00 0.00 C ATOM 212 NH1 ARG A 21 -5.022 18.154 4.147 1.00 0.00 N ATOM 213 NH2 ARG A 21 -4.012 19.817 5.364 1.00 0.00 N ATOM 0 H ARG A 21 1.266 19.097 3.420 1.00 0.00 H new ATOM 0 HA ARG A 21 1.205 16.662 4.780 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.420 18.113 3.032 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.053 16.665 2.116 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.151 15.261 3.609 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.905 16.331 4.975 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -2.697 17.093 2.645 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.295 16.160 4.002 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.917 18.572 4.875 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.959 17.293 3.603 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -5.928 18.597 4.298 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.171 20.239 5.758 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.921 20.256 5.512 1.00 0.00 H new ATOM 227 N GLY A 22 2.322 14.849 3.486 1.00 0.00 N ATOM 228 CA GLY A 22 3.149 13.858 2.825 1.00 0.00 C ATOM 229 C GLY A 22 2.417 13.147 1.705 1.00 0.00 C ATOM 230 O GLY A 22 2.812 13.234 0.543 1.00 0.00 O ATOM 0 H GLY A 22 1.877 14.530 4.346 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.039 14.342 2.423 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.487 13.125 3.557 1.00 0.00 H new ATOM 234 N LEU A 23 1.349 12.436 2.056 1.00 0.00 N ATOM 235 CA LEU A 23 0.564 11.704 1.074 1.00 0.00 C ATOM 236 C LEU A 23 -0.913 11.700 1.466 1.00 0.00 C ATOM 237 O LEU A 23 -1.770 12.144 0.702 1.00 0.00 O ATOM 238 CB LEU A 23 1.088 10.270 0.952 1.00 0.00 C ATOM 239 CG LEU A 23 0.113 9.263 0.341 1.00 0.00 C ATOM 240 CD1 LEU A 23 -0.124 9.575 -1.128 1.00 0.00 C ATOM 241 CD2 LEU A 23 0.639 7.845 0.511 1.00 0.00 C ATOM 0 H LEU A 23 1.009 12.353 3.014 1.00 0.00 H new ATOM 0 HA LEU A 23 0.660 12.198 0.107 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.995 10.283 0.348 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.371 9.919 1.945 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.840 9.341 0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.820 8.848 -1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.543 10.577 -1.224 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.822 9.524 -1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.066 7.140 0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.604 7.752 0.012 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.757 7.625 1.572 1.00 0.00 H new ATOM 253 N GLY A 24 -1.200 11.191 2.659 1.00 0.00 N ATOM 254 CA GLY A 24 -2.570 11.131 3.132 1.00 0.00 C ATOM 255 C GLY A 24 -3.138 9.725 3.080 1.00 0.00 C ATOM 256 O GLY A 24 -4.353 9.543 3.002 1.00 0.00 O ATOM 0 H GLY A 24 -0.507 10.818 3.308 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.614 11.500 4.157 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.190 11.793 2.527 1.00 0.00 H new ATOM 260 N CYS A 25 -2.257 8.730 3.116 1.00 0.00 N ATOM 261 CA CYS A 25 -2.674 7.334 3.065 1.00 0.00 C ATOM 262 C CYS A 25 -1.700 6.448 3.835 1.00 0.00 C ATOM 263 O CYS A 25 -0.550 6.825 4.061 1.00 0.00 O ATOM 264 CB CYS A 25 -2.768 6.870 1.609 1.00 0.00 C ATOM 265 SG CYS A 25 -3.222 5.132 1.402 1.00 0.00 S ATOM 0 H CYS A 25 -1.248 8.866 3.180 1.00 0.00 H new ATOM 0 HA CYS A 25 -3.655 7.250 3.532 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.501 7.488 1.091 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.807 7.041 1.124 1.00 0.00 H new ATOM 0 HG CYS A 25 -2.363 4.382 2.027 1.00 0.00 H new ATOM 271 N SER A 26 -2.166 5.267 4.231 1.00 0.00 N ATOM 272 CA SER A 26 -1.333 4.328 4.969 1.00 0.00 C ATOM 273 C SER A 26 -1.089 3.075 4.137 1.00 0.00 C ATOM 274 O SER A 26 -1.660 2.922 3.059 1.00 0.00 O ATOM 275 CB SER A 26 -1.998 3.955 6.295 1.00 0.00 C ATOM 276 OG SER A 26 -2.324 5.110 7.046 1.00 0.00 O ATOM 0 H SER A 26 -3.115 4.939 4.053 1.00 0.00 H new ATOM 0 HA SER A 26 -0.375 4.804 5.179 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.901 3.376 6.102 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.329 3.318 6.874 1.00 0.00 H new ATOM 0 HG SER A 26 -2.749 4.844 7.888 1.00 0.00 H new ATOM 282 N ILE A 27 -0.236 2.188 4.633 1.00 0.00 N ATOM 283 CA ILE A 27 0.073 0.958 3.916 1.00 0.00 C ATOM 284 C ILE A 27 0.110 -0.240 4.857 1.00 0.00 C ATOM 285 O ILE A 27 0.448 -0.112 6.033 1.00 0.00 O ATOM 286 CB ILE A 27 1.419 1.061 3.176 1.00 0.00 C ATOM 287 CG1 ILE A 27 2.522 1.515 4.133 1.00 0.00 C ATOM 288 CG2 ILE A 27 1.303 2.017 2.000 1.00 0.00 C ATOM 289 CD1 ILE A 27 3.882 1.605 3.479 1.00 0.00 C ATOM 0 H ILE A 27 0.251 2.296 5.523 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.724 0.813 3.186 1.00 0.00 H new ATOM 0 HB ILE A 27 1.682 0.075 2.794 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.259 2.490 4.543 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.575 0.820 4.971 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.262 2.080 1.486 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.544 1.652 1.308 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.019 3.006 2.361 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.618 1.932 4.213 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.166 0.626 3.093 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.844 2.322 2.659 1.00 0.00 H new ATOM 301 N SER A 28 -0.246 -1.403 4.325 1.00 0.00 N ATOM 302 CA SER A 28 -0.261 -2.633 5.106 1.00 0.00 C ATOM 303 C SER A 28 0.519 -3.733 4.394 1.00 0.00 C ATOM 304 O SER A 28 0.778 -3.646 3.194 1.00 0.00 O ATOM 305 CB SER A 28 -1.701 -3.089 5.349 1.00 0.00 C ATOM 306 OG SER A 28 -2.378 -3.315 4.126 1.00 0.00 O ATOM 0 H SER A 28 -0.529 -1.520 3.352 1.00 0.00 H new ATOM 0 HA SER A 28 0.216 -2.434 6.066 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.701 -4.003 5.942 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.232 -2.333 5.928 1.00 0.00 H new ATOM 0 HG SER A 28 -3.295 -3.607 4.309 1.00 0.00 H new ATOM 312 N SER A 29 0.891 -4.766 5.140 1.00 0.00 N ATOM 313 CA SER A 29 1.642 -5.880 4.575 1.00 0.00 C ATOM 314 C SER A 29 0.736 -7.093 4.391 1.00 0.00 C ATOM 315 O SER A 29 -0.110 -7.383 5.236 1.00 0.00 O ATOM 316 CB SER A 29 2.825 -6.237 5.479 1.00 0.00 C ATOM 317 OG SER A 29 4.057 -5.911 4.859 1.00 0.00 O ATOM 0 H SER A 29 0.686 -4.855 6.135 1.00 0.00 H new ATOM 0 HA SER A 29 2.025 -5.580 3.600 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.738 -5.703 6.425 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.801 -7.302 5.711 1.00 0.00 H new ATOM 0 HG SER A 29 4.781 -6.417 5.284 1.00 0.00 H new ATOM 323 N GLY A 30 0.909 -7.788 3.271 1.00 0.00 N ATOM 324 CA GLY A 30 0.089 -8.950 2.987 1.00 0.00 C ATOM 325 C GLY A 30 0.667 -10.236 3.547 1.00 0.00 C ATOM 326 O GLY A 30 1.732 -10.228 4.163 1.00 0.00 O ATOM 0 H GLY A 30 1.602 -7.567 2.556 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.907 -8.795 3.402 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.028 -9.050 1.908 1.00 0.00 H new ATOM 330 N PRO A 31 -0.027 -11.368 3.340 1.00 0.00 N ATOM 331 CA PRO A 31 0.419 -12.677 3.826 1.00 0.00 C ATOM 332 C PRO A 31 1.646 -13.187 3.076 1.00 0.00 C ATOM 333 O PRO A 31 2.363 -12.414 2.442 1.00 0.00 O ATOM 334 CB PRO A 31 -0.790 -13.580 3.564 1.00 0.00 C ATOM 335 CG PRO A 31 -1.507 -12.932 2.432 1.00 0.00 C ATOM 336 CD PRO A 31 -1.306 -11.454 2.612 1.00 0.00 C ATOM 0 HA PRO A 31 0.724 -12.645 4.872 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.480 -14.593 3.308 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.427 -13.655 4.445 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.109 -13.267 1.474 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.567 -13.187 2.443 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.259 -10.936 1.654 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.121 -11.004 3.178 1.00 0.00 H new ATOM 344 N ILE A 32 1.881 -14.493 3.154 1.00 0.00 N ATOM 345 CA ILE A 32 3.022 -15.108 2.485 1.00 0.00 C ATOM 346 C ILE A 32 2.689 -15.464 1.040 1.00 0.00 C ATOM 347 O ILE A 32 3.571 -15.500 0.181 1.00 0.00 O ATOM 348 CB ILE A 32 3.484 -16.379 3.223 1.00 0.00 C ATOM 349 CG1 ILE A 32 3.687 -16.088 4.712 1.00 0.00 C ATOM 350 CG2 ILE A 32 4.766 -16.917 2.602 1.00 0.00 C ATOM 351 CD1 ILE A 32 3.046 -17.115 5.620 1.00 0.00 C ATOM 0 H ILE A 32 1.296 -15.146 3.674 1.00 0.00 H new ATOM 0 HA ILE A 32 3.829 -14.375 2.496 1.00 0.00 H new ATOM 0 HB ILE A 32 2.709 -17.139 3.124 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.755 -16.044 4.923 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.276 -15.105 4.941 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.079 -17.815 3.135 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.589 -17.160 1.554 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.549 -16.162 2.672 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.230 -16.846 6.660 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.972 -17.143 5.437 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.474 -18.097 5.418 1.00 0.00 H new ATOM 363 N GLN A 33 1.415 -15.731 0.777 1.00 0.00 N ATOM 364 CA GLN A 33 0.970 -16.087 -0.566 1.00 0.00 C ATOM 365 C GLN A 33 1.172 -14.924 -1.532 1.00 0.00 C ATOM 366 O GLN A 33 1.447 -15.129 -2.716 1.00 0.00 O ATOM 367 CB GLN A 33 -0.502 -16.500 -0.545 1.00 0.00 C ATOM 368 CG GLN A 33 -0.788 -17.681 0.366 1.00 0.00 C ATOM 369 CD GLN A 33 -1.412 -17.264 1.683 1.00 0.00 C ATOM 370 OE1 GLN A 33 -1.941 -16.160 1.810 1.00 0.00 O ATOM 371 NE2 GLN A 33 -1.352 -18.146 2.673 1.00 0.00 N ATOM 0 H GLN A 33 0.672 -15.708 1.475 1.00 0.00 H new ATOM 0 HA GLN A 33 1.571 -16.929 -0.910 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.105 -15.650 -0.225 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.816 -16.749 -1.559 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.456 -18.375 -0.144 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.141 -18.217 0.562 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.904 -19.050 2.524 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.754 -17.920 3.583 1.00 0.00 H new ATOM 380 N LYS A 34 1.036 -13.704 -1.023 1.00 0.00 N ATOM 381 CA LYS A 34 1.206 -12.510 -1.842 1.00 0.00 C ATOM 382 C LYS A 34 1.901 -11.404 -1.051 1.00 0.00 C ATOM 383 O LYS A 34 1.261 -10.452 -0.604 1.00 0.00 O ATOM 384 CB LYS A 34 -0.152 -12.016 -2.348 1.00 0.00 C ATOM 385 CG LYS A 34 -0.818 -12.964 -3.332 1.00 0.00 C ATOM 386 CD LYS A 34 -2.320 -13.028 -3.117 1.00 0.00 C ATOM 387 CE LYS A 34 -2.842 -14.451 -3.238 1.00 0.00 C ATOM 388 NZ LYS A 34 -4.171 -14.499 -3.904 1.00 0.00 N ATOM 0 H LYS A 34 0.808 -13.516 -0.047 1.00 0.00 H new ATOM 0 HA LYS A 34 1.831 -12.770 -2.696 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.815 -11.866 -1.496 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.021 -11.045 -2.825 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.609 -12.638 -4.351 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.391 -13.961 -3.223 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.564 -12.633 -2.131 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.820 -12.393 -3.848 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.130 -15.052 -3.804 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.917 -14.896 -2.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.348 -15.461 -4.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.911 -14.238 -3.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.184 -13.831 -4.701 1.00 0.00 H new ATOM 402 N PRO A 35 3.228 -11.517 -0.868 1.00 0.00 N ATOM 403 CA PRO A 35 4.009 -10.522 -0.128 1.00 0.00 C ATOM 404 C PRO A 35 4.211 -9.235 -0.920 1.00 0.00 C ATOM 405 O PRO A 35 4.684 -9.261 -2.057 1.00 0.00 O ATOM 406 CB PRO A 35 5.346 -11.227 0.099 1.00 0.00 C ATOM 407 CG PRO A 35 5.469 -12.174 -1.043 1.00 0.00 C ATOM 408 CD PRO A 35 4.069 -12.621 -1.370 1.00 0.00 C ATOM 0 HA PRO A 35 3.511 -10.211 0.791 1.00 0.00 H new ATOM 0 HB2 PRO A 35 6.172 -10.516 0.115 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.360 -11.753 1.054 1.00 0.00 H new ATOM 0 HG2 PRO A 35 5.934 -11.690 -1.902 1.00 0.00 H new ATOM 0 HG3 PRO A 35 6.097 -13.024 -0.778 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.936 -12.772 -2.441 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.825 -13.565 -0.883 1.00 0.00 H new ATOM 416 N GLY A 36 3.848 -8.111 -0.314 1.00 0.00 N ATOM 417 CA GLY A 36 3.996 -6.829 -0.977 1.00 0.00 C ATOM 418 C GLY A 36 3.415 -5.687 -0.169 1.00 0.00 C ATOM 419 O GLY A 36 2.793 -5.906 0.870 1.00 0.00 O ATOM 0 H GLY A 36 3.453 -8.064 0.625 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.053 -6.639 -1.161 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.506 -6.868 -1.950 1.00 0.00 H new ATOM 423 N ILE A 37 3.619 -4.464 -0.647 1.00 0.00 N ATOM 424 CA ILE A 37 3.111 -3.283 0.037 1.00 0.00 C ATOM 425 C ILE A 37 1.687 -2.962 -0.404 1.00 0.00 C ATOM 426 O ILE A 37 1.445 -2.649 -1.570 1.00 0.00 O ATOM 427 CB ILE A 37 4.007 -2.055 -0.217 1.00 0.00 C ATOM 428 CG1 ILE A 37 5.481 -2.420 -0.024 1.00 0.00 C ATOM 429 CG2 ILE A 37 3.613 -0.912 0.705 1.00 0.00 C ATOM 430 CD1 ILE A 37 5.781 -3.035 1.327 1.00 0.00 C ATOM 0 H ILE A 37 4.133 -4.266 -1.506 1.00 0.00 H new ATOM 0 HA ILE A 37 3.115 -3.510 1.103 1.00 0.00 H new ATOM 0 HB ILE A 37 3.866 -1.729 -1.248 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.779 -3.118 -0.806 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.088 -1.523 -0.149 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.255 -0.052 0.513 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.574 -0.638 0.521 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.727 -1.226 1.743 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.844 -3.268 1.393 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.514 -2.330 2.115 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.201 -3.950 1.447 1.00 0.00 H new ATOM 442 N PHE A 38 0.750 -3.047 0.533 1.00 0.00 N ATOM 443 CA PHE A 38 -0.651 -2.768 0.241 1.00 0.00 C ATOM 444 C PHE A 38 -1.039 -1.369 0.703 1.00 0.00 C ATOM 445 O PHE A 38 -0.259 -0.681 1.362 1.00 0.00 O ATOM 446 CB PHE A 38 -1.549 -3.808 0.913 1.00 0.00 C ATOM 447 CG PHE A 38 -1.264 -5.215 0.473 1.00 0.00 C ATOM 448 CD1 PHE A 38 -0.050 -5.815 0.769 1.00 0.00 C ATOM 449 CD2 PHE A 38 -2.209 -5.939 -0.236 1.00 0.00 C ATOM 450 CE1 PHE A 38 0.215 -7.110 0.366 1.00 0.00 C ATOM 451 CE2 PHE A 38 -1.949 -7.235 -0.642 1.00 0.00 C ATOM 452 CZ PHE A 38 -0.735 -7.821 -0.341 1.00 0.00 C ATOM 0 H PHE A 38 0.935 -3.307 1.502 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.787 -2.822 -0.839 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.424 -3.741 1.994 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.591 -3.572 0.697 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.697 -5.264 1.321 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.160 -5.486 -0.474 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.165 -7.566 0.604 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.694 -7.788 -1.194 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.529 -8.833 -0.658 1.00 0.00 H new ATOM 462 N ILE A 39 -2.250 -0.953 0.349 1.00 0.00 N ATOM 463 CA ILE A 39 -2.746 0.365 0.723 1.00 0.00 C ATOM 464 C ILE A 39 -3.820 0.260 1.804 1.00 0.00 C ATOM 465 O ILE A 39 -4.725 -0.572 1.721 1.00 0.00 O ATOM 466 CB ILE A 39 -3.313 1.113 -0.505 1.00 0.00 C ATOM 467 CG1 ILE A 39 -2.172 1.576 -1.414 1.00 0.00 C ATOM 468 CG2 ILE A 39 -4.167 2.301 -0.077 1.00 0.00 C ATOM 469 CD1 ILE A 39 -1.316 2.665 -0.804 1.00 0.00 C ATOM 0 H ILE A 39 -2.907 -1.511 -0.197 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.903 0.931 1.120 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.949 0.424 -1.060 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.540 0.721 -1.655 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.591 1.938 -2.353 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.553 2.809 -0.961 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.000 1.950 0.532 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.560 2.995 0.504 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.528 2.943 -1.504 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.935 3.536 -0.589 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.868 2.301 0.121 1.00 0.00 H new ATOM 481 N SER A 40 -3.707 1.114 2.813 1.00 0.00 N ATOM 482 CA SER A 40 -4.657 1.137 3.916 1.00 0.00 C ATOM 483 C SER A 40 -5.576 2.350 3.811 1.00 0.00 C ATOM 484 O SER A 40 -5.599 3.038 2.791 1.00 0.00 O ATOM 485 CB SER A 40 -3.917 1.150 5.255 1.00 0.00 C ATOM 486 OG SER A 40 -4.144 -0.050 5.975 1.00 0.00 O ATOM 0 H SER A 40 -2.960 1.805 2.890 1.00 0.00 H new ATOM 0 HA SER A 40 -5.268 0.236 3.860 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.848 1.278 5.082 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.248 2.002 5.849 1.00 0.00 H new ATOM 0 HG SER A 40 -3.659 -0.018 6.826 1.00 0.00 H new ATOM 492 N HIS A 41 -6.337 2.602 4.873 1.00 0.00 N ATOM 493 CA HIS A 41 -7.266 3.728 4.909 1.00 0.00 C ATOM 494 C HIS A 41 -6.607 5.007 4.400 1.00 0.00 C ATOM 495 O HIS A 41 -5.435 5.265 4.670 1.00 0.00 O ATOM 496 CB HIS A 41 -7.783 3.941 6.333 1.00 0.00 C ATOM 497 CG HIS A 41 -9.064 4.715 6.395 1.00 0.00 C ATOM 498 ND1 HIS A 41 -10.032 4.646 5.414 1.00 0.00 N ATOM 499 CD2 HIS A 41 -9.537 5.576 7.327 1.00 0.00 C ATOM 500 CE1 HIS A 41 -11.043 5.432 5.741 1.00 0.00 C ATOM 501 NE2 HIS A 41 -10.768 6.006 6.897 1.00 0.00 N ATOM 0 H HIS A 41 -6.328 2.039 5.723 1.00 0.00 H new ATOM 0 HA HIS A 41 -8.103 3.492 4.252 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -7.931 2.970 6.806 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -7.023 4.465 6.912 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -9.039 5.870 8.239 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -11.942 5.579 5.161 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -11.372 6.663 7.391 1.00 0.00 H new ATOM 510 N VAL A 42 -7.371 5.803 3.659 1.00 0.00 N ATOM 511 CA VAL A 42 -6.866 7.053 3.108 1.00 0.00 C ATOM 512 C VAL A 42 -7.526 8.254 3.778 1.00 0.00 C ATOM 513 O VAL A 42 -8.621 8.144 4.332 1.00 0.00 O ATOM 514 CB VAL A 42 -7.098 7.133 1.587 1.00 0.00 C ATOM 515 CG1 VAL A 42 -6.282 8.263 0.980 1.00 0.00 C ATOM 516 CG2 VAL A 42 -6.760 5.806 0.923 1.00 0.00 C ATOM 0 H VAL A 42 -8.344 5.603 3.427 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.794 7.075 3.304 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.153 7.343 1.411 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.459 8.303 -0.095 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.578 9.209 1.432 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.222 8.088 1.167 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.930 5.883 -0.151 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.714 5.563 1.108 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.394 5.021 1.336 1.00 0.00 H new ATOM 526 N LYS A 43 -6.853 9.398 3.724 1.00 0.00 N ATOM 527 CA LYS A 43 -7.374 10.620 4.327 1.00 0.00 C ATOM 528 C LYS A 43 -7.823 11.613 3.254 1.00 0.00 C ATOM 529 O LYS A 43 -6.997 12.144 2.511 1.00 0.00 O ATOM 530 CB LYS A 43 -6.311 11.265 5.218 1.00 0.00 C ATOM 531 CG LYS A 43 -6.164 10.594 6.573 1.00 0.00 C ATOM 532 CD LYS A 43 -4.905 11.054 7.290 1.00 0.00 C ATOM 533 CE LYS A 43 -4.978 10.772 8.782 1.00 0.00 C ATOM 534 NZ LYS A 43 -3.652 10.392 9.342 1.00 0.00 N ATOM 0 H LYS A 43 -5.946 9.505 3.269 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.239 10.354 4.934 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.351 11.237 4.702 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.562 12.315 5.367 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.036 10.818 7.187 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.135 9.512 6.443 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.038 10.548 6.865 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.762 12.122 7.127 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.351 11.655 9.300 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.693 9.970 8.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.745 10.208 10.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.307 9.534 8.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.976 11.168 9.191 1.00 0.00 H new ATOM 548 N PRO A 44 -9.139 11.878 3.155 1.00 0.00 N ATOM 549 CA PRO A 44 -9.680 12.813 2.163 1.00 0.00 C ATOM 550 C PRO A 44 -8.981 14.168 2.204 1.00 0.00 C ATOM 551 O PRO A 44 -8.423 14.559 3.229 1.00 0.00 O ATOM 552 CB PRO A 44 -11.147 12.956 2.571 1.00 0.00 C ATOM 553 CG PRO A 44 -11.465 11.695 3.295 1.00 0.00 C ATOM 554 CD PRO A 44 -10.199 11.292 3.998 1.00 0.00 C ATOM 0 HA PRO A 44 -9.541 12.451 1.144 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.297 13.827 3.209 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.789 13.085 1.700 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -12.276 11.848 4.008 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.791 10.919 2.603 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -10.164 11.680 5.016 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -10.105 10.208 4.067 1.00 0.00 H new ATOM 562 N GLY A 45 -9.015 14.880 1.082 1.00 0.00 N ATOM 563 CA GLY A 45 -8.378 16.183 1.013 1.00 0.00 C ATOM 564 C GLY A 45 -6.868 16.097 1.118 1.00 0.00 C ATOM 565 O GLY A 45 -6.218 17.022 1.605 1.00 0.00 O ATOM 0 H GLY A 45 -9.471 14.579 0.221 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.647 16.666 0.074 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.760 16.813 1.816 1.00 0.00 H new ATOM 569 N SER A 46 -6.310 14.980 0.660 1.00 0.00 N ATOM 570 CA SER A 46 -4.868 14.771 0.704 1.00 0.00 C ATOM 571 C SER A 46 -4.322 14.453 -0.684 1.00 0.00 C ATOM 572 O SER A 46 -5.035 14.564 -1.681 1.00 0.00 O ATOM 573 CB SER A 46 -4.528 13.637 1.670 1.00 0.00 C ATOM 574 OG SER A 46 -4.928 12.383 1.145 1.00 0.00 O ATOM 0 H SER A 46 -6.836 14.206 0.254 1.00 0.00 H new ATOM 0 HA SER A 46 -4.402 15.692 1.055 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.455 13.629 1.863 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.022 13.809 2.626 1.00 0.00 H new ATOM 0 HG SER A 46 -5.576 11.966 1.751 1.00 0.00 H new ATOM 580 N LEU A 47 -3.055 14.056 -0.742 1.00 0.00 N ATOM 581 CA LEU A 47 -2.419 13.719 -2.009 1.00 0.00 C ATOM 582 C LEU A 47 -2.874 12.348 -2.494 1.00 0.00 C ATOM 583 O LEU A 47 -3.208 12.173 -3.666 1.00 0.00 O ATOM 584 CB LEU A 47 -0.897 13.748 -1.868 1.00 0.00 C ATOM 585 CG LEU A 47 -0.298 15.138 -1.649 1.00 0.00 C ATOM 586 CD1 LEU A 47 0.933 15.052 -0.764 1.00 0.00 C ATOM 587 CD2 LEU A 47 0.045 15.786 -2.981 1.00 0.00 C ATOM 0 H LEU A 47 -2.449 13.960 0.073 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.718 14.464 -2.747 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.612 13.109 -1.032 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.455 13.315 -2.765 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.040 15.759 -1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.347 16.050 -0.618 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.658 14.629 0.202 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.679 14.416 -1.240 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.470 16.774 -2.806 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.770 15.168 -3.510 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.859 15.881 -3.583 1.00 0.00 H new ATOM 599 N SER A 48 -2.892 11.376 -1.585 1.00 0.00 N ATOM 600 CA SER A 48 -3.316 10.021 -1.927 1.00 0.00 C ATOM 601 C SER A 48 -4.685 10.042 -2.599 1.00 0.00 C ATOM 602 O SER A 48 -4.948 9.275 -3.524 1.00 0.00 O ATOM 603 CB SER A 48 -3.368 9.147 -0.674 1.00 0.00 C ATOM 604 OG SER A 48 -4.041 9.809 0.383 1.00 0.00 O ATOM 0 H SER A 48 -2.619 11.501 -0.610 1.00 0.00 H new ATOM 0 HA SER A 48 -2.589 9.602 -2.622 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.876 8.210 -0.902 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.355 8.893 -0.362 1.00 0.00 H new ATOM 0 HG SER A 48 -4.258 10.725 0.110 1.00 0.00 H new ATOM 610 N ALA A 49 -5.550 10.935 -2.128 1.00 0.00 N ATOM 611 CA ALA A 49 -6.888 11.071 -2.685 1.00 0.00 C ATOM 612 C ALA A 49 -6.841 11.811 -4.015 1.00 0.00 C ATOM 613 O ALA A 49 -7.573 11.482 -4.948 1.00 0.00 O ATOM 614 CB ALA A 49 -7.793 11.806 -1.710 1.00 0.00 C ATOM 0 H ALA A 49 -5.346 11.575 -1.361 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.292 10.073 -2.857 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.790 11.900 -2.140 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.852 11.247 -0.776 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.387 12.798 -1.514 1.00 0.00 H new ATOM 620 N GLU A 50 -5.969 12.810 -4.090 1.00 0.00 N ATOM 621 CA GLU A 50 -5.814 13.602 -5.302 1.00 0.00 C ATOM 622 C GLU A 50 -5.409 12.719 -6.478 1.00 0.00 C ATOM 623 O GLU A 50 -5.761 12.997 -7.626 1.00 0.00 O ATOM 624 CB GLU A 50 -4.771 14.699 -5.083 1.00 0.00 C ATOM 625 CG GLU A 50 -5.375 16.052 -4.746 1.00 0.00 C ATOM 626 CD GLU A 50 -6.295 16.569 -5.835 1.00 0.00 C ATOM 627 OE1 GLU A 50 -5.874 16.580 -7.010 1.00 0.00 O ATOM 628 OE2 GLU A 50 -7.436 16.960 -5.511 1.00 0.00 O ATOM 0 H GLU A 50 -5.358 13.090 -3.323 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.773 14.064 -5.535 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.102 14.398 -4.277 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.163 14.796 -5.982 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.932 15.974 -3.812 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.574 16.772 -4.581 1.00 0.00 H new ATOM 635 N VAL A 51 -4.671 11.653 -6.185 1.00 0.00 N ATOM 636 CA VAL A 51 -4.222 10.726 -7.217 1.00 0.00 C ATOM 637 C VAL A 51 -5.275 9.656 -7.485 1.00 0.00 C ATOM 638 O VAL A 51 -5.389 9.148 -8.601 1.00 0.00 O ATOM 639 CB VAL A 51 -2.900 10.041 -6.824 1.00 0.00 C ATOM 640 CG1 VAL A 51 -1.766 11.053 -6.763 1.00 0.00 C ATOM 641 CG2 VAL A 51 -3.048 9.316 -5.494 1.00 0.00 C ATOM 0 H VAL A 51 -4.371 11.410 -5.241 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.061 11.313 -8.121 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.656 9.305 -7.590 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.842 10.547 -6.484 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.643 11.521 -7.740 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.000 11.817 -6.022 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.104 8.838 -5.233 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.319 10.032 -4.718 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.827 8.558 -5.577 1.00 0.00 H new ATOM 651 N GLY A 52 -6.040 9.316 -6.452 1.00 0.00 N ATOM 652 CA GLY A 52 -7.074 8.306 -6.593 1.00 0.00 C ATOM 653 C GLY A 52 -6.701 7.001 -5.920 1.00 0.00 C ATOM 654 O GLY A 52 -6.635 5.957 -6.567 1.00 0.00 O ATOM 0 H GLY A 52 -5.962 9.722 -5.519 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.004 8.680 -6.165 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.260 8.126 -7.652 1.00 0.00 H new ATOM 658 N LEU A 53 -6.451 7.061 -4.616 1.00 0.00 N ATOM 659 CA LEU A 53 -6.078 5.875 -3.854 1.00 0.00 C ATOM 660 C LEU A 53 -7.221 5.418 -2.953 1.00 0.00 C ATOM 661 O LEU A 53 -8.201 6.137 -2.757 1.00 0.00 O ATOM 662 CB LEU A 53 -4.833 6.156 -3.012 1.00 0.00 C ATOM 663 CG LEU A 53 -3.510 6.130 -3.782 1.00 0.00 C ATOM 664 CD1 LEU A 53 -2.349 6.472 -2.862 1.00 0.00 C ATOM 665 CD2 LEU A 53 -3.298 4.769 -4.428 1.00 0.00 C ATOM 0 H LEU A 53 -6.500 7.918 -4.065 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.859 5.076 -4.563 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.943 7.134 -2.543 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.783 5.421 -2.209 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.555 6.882 -4.570 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.417 6.448 -3.428 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.496 7.469 -2.446 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.300 5.744 -2.052 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.353 4.767 -4.971 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.274 4.000 -3.656 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.115 4.563 -5.120 1.00 0.00 H new ATOM 677 N GLU A 54 -7.086 4.212 -2.406 1.00 0.00 N ATOM 678 CA GLU A 54 -8.100 3.648 -1.524 1.00 0.00 C ATOM 679 C GLU A 54 -7.678 2.263 -1.043 1.00 0.00 C ATOM 680 O GLU A 54 -6.799 1.635 -1.631 1.00 0.00 O ATOM 681 CB GLU A 54 -9.447 3.560 -2.246 1.00 0.00 C ATOM 682 CG GLU A 54 -10.641 3.813 -1.339 1.00 0.00 C ATOM 683 CD GLU A 54 -11.950 3.876 -2.103 1.00 0.00 C ATOM 684 OE1 GLU A 54 -11.944 4.374 -3.249 1.00 0.00 O ATOM 685 OE2 GLU A 54 -12.979 3.427 -1.555 1.00 0.00 O ATOM 0 H GLU A 54 -6.280 3.606 -2.560 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.205 4.304 -0.660 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.461 4.283 -3.061 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.545 2.572 -2.695 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.699 3.022 -0.591 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.493 4.750 -0.802 1.00 0.00 H new ATOM 692 N ILE A 55 -8.307 1.790 0.029 1.00 0.00 N ATOM 693 CA ILE A 55 -7.986 0.477 0.579 1.00 0.00 C ATOM 694 C ILE A 55 -8.155 -0.610 -0.476 1.00 0.00 C ATOM 695 O ILE A 55 -9.064 -0.549 -1.305 1.00 0.00 O ATOM 696 CB ILE A 55 -8.867 0.138 1.799 1.00 0.00 C ATOM 697 CG1 ILE A 55 -8.856 1.294 2.804 1.00 0.00 C ATOM 698 CG2 ILE A 55 -8.385 -1.148 2.457 1.00 0.00 C ATOM 699 CD1 ILE A 55 -10.231 1.665 3.313 1.00 0.00 C ATOM 0 H ILE A 55 -9.038 2.293 0.532 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.945 0.515 0.900 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.892 -0.011 1.459 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.225 1.023 3.650 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.403 2.168 2.336 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -9.016 -1.375 3.317 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.440 -1.967 1.740 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.353 -1.024 2.787 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -10.147 2.490 4.020 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -10.860 1.968 2.475 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -10.679 0.805 3.811 1.00 0.00 H new ATOM 711 N GLY A 56 -7.270 -1.600 -0.446 1.00 0.00 N ATOM 712 CA GLY A 56 -7.334 -2.682 -1.410 1.00 0.00 C ATOM 713 C GLY A 56 -6.240 -2.581 -2.456 1.00 0.00 C ATOM 714 O GLY A 56 -5.861 -3.580 -3.064 1.00 0.00 O ATOM 0 H GLY A 56 -6.509 -1.672 0.229 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -7.250 -3.636 -0.889 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.307 -2.672 -1.902 1.00 0.00 H new ATOM 718 N ASP A 57 -5.730 -1.370 -2.659 1.00 0.00 N ATOM 719 CA ASP A 57 -4.671 -1.140 -3.633 1.00 0.00 C ATOM 720 C ASP A 57 -3.351 -1.724 -3.143 1.00 0.00 C ATOM 721 O ASP A 57 -3.196 -2.021 -1.958 1.00 0.00 O ATOM 722 CB ASP A 57 -4.515 0.359 -3.897 1.00 0.00 C ATOM 723 CG ASP A 57 -5.663 0.926 -4.708 1.00 0.00 C ATOM 724 OD1 ASP A 57 -5.890 0.440 -5.837 1.00 0.00 O ATOM 725 OD2 ASP A 57 -6.337 1.856 -4.215 1.00 0.00 O ATOM 0 H ASP A 57 -6.034 -0.533 -2.161 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.945 -1.639 -4.563 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.450 0.888 -2.946 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.578 0.536 -4.425 1.00 0.00 H new ATOM 730 N GLN A 58 -2.400 -1.887 -4.057 1.00 0.00 N ATOM 731 CA GLN A 58 -1.096 -2.438 -3.710 1.00 0.00 C ATOM 732 C GLN A 58 0.000 -1.855 -4.597 1.00 0.00 C ATOM 733 O GLN A 58 0.016 -2.078 -5.807 1.00 0.00 O ATOM 734 CB GLN A 58 -1.113 -3.963 -3.836 1.00 0.00 C ATOM 735 CG GLN A 58 0.169 -4.628 -3.365 1.00 0.00 C ATOM 736 CD GLN A 58 0.571 -5.802 -4.234 1.00 0.00 C ATOM 737 OE1 GLN A 58 0.527 -5.725 -5.462 1.00 0.00 O ATOM 738 NE2 GLN A 58 0.966 -6.900 -3.599 1.00 0.00 N ATOM 0 H GLN A 58 -2.508 -1.646 -5.042 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.881 -2.167 -2.676 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.950 -4.357 -3.259 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.290 -4.231 -4.878 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.974 -3.893 -3.359 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.041 -4.969 -2.338 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.987 -6.920 -2.579 1.00 0.00 H new ATOM 0 HE22 GLN A 58 1.248 -7.723 -4.131 1.00 0.00 H new ATOM 747 N ILE A 59 0.916 -1.111 -3.985 1.00 0.00 N ATOM 748 CA ILE A 59 2.018 -0.500 -4.719 1.00 0.00 C ATOM 749 C ILE A 59 2.995 -1.563 -5.207 1.00 0.00 C ATOM 750 O ILE A 59 3.605 -2.273 -4.409 1.00 0.00 O ATOM 751 CB ILE A 59 2.776 0.522 -3.848 1.00 0.00 C ATOM 752 CG1 ILE A 59 1.795 1.502 -3.200 1.00 0.00 C ATOM 753 CG2 ILE A 59 3.807 1.270 -4.680 1.00 0.00 C ATOM 754 CD1 ILE A 59 2.107 1.800 -1.751 1.00 0.00 C ATOM 0 H ILE A 59 0.917 -0.917 -2.984 1.00 0.00 H new ATOM 0 HA ILE A 59 1.587 0.019 -5.575 1.00 0.00 H new ATOM 0 HB ILE A 59 3.298 -0.017 -3.057 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.801 2.435 -3.764 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.787 1.094 -3.270 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.333 1.987 -4.049 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.522 0.561 -5.097 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.306 1.799 -5.491 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.371 2.501 -1.357 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.073 0.876 -1.174 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.102 2.238 -1.676 1.00 0.00 H new ATOM 766 N VAL A 60 3.131 -1.674 -6.524 1.00 0.00 N ATOM 767 CA VAL A 60 4.027 -2.659 -7.119 1.00 0.00 C ATOM 768 C VAL A 60 5.374 -2.047 -7.500 1.00 0.00 C ATOM 769 O VAL A 60 6.283 -2.757 -7.933 1.00 0.00 O ATOM 770 CB VAL A 60 3.396 -3.304 -8.369 1.00 0.00 C ATOM 771 CG1 VAL A 60 2.125 -4.056 -7.998 1.00 0.00 C ATOM 772 CG2 VAL A 60 3.108 -2.251 -9.429 1.00 0.00 C ATOM 0 H VAL A 60 2.633 -1.095 -7.199 1.00 0.00 H new ATOM 0 HA VAL A 60 4.192 -3.424 -6.360 1.00 0.00 H new ATOM 0 HB VAL A 60 4.108 -4.018 -8.783 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.693 -4.505 -8.893 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.363 -4.839 -7.278 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.408 -3.363 -7.557 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.663 -2.727 -10.303 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.416 -1.510 -9.028 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.038 -1.761 -9.717 1.00 0.00 H new ATOM 782 N GLU A 61 5.506 -0.731 -7.340 1.00 0.00 N ATOM 783 CA GLU A 61 6.751 -0.047 -7.674 1.00 0.00 C ATOM 784 C GLU A 61 6.779 1.361 -7.089 1.00 0.00 C ATOM 785 O GLU A 61 5.739 1.997 -6.919 1.00 0.00 O ATOM 786 CB GLU A 61 6.931 0.012 -9.193 1.00 0.00 C ATOM 787 CG GLU A 61 8.330 -0.370 -9.653 1.00 0.00 C ATOM 788 CD GLU A 61 8.313 -1.365 -10.798 1.00 0.00 C ATOM 789 OE1 GLU A 61 7.512 -1.176 -11.739 1.00 0.00 O ATOM 790 OE2 GLU A 61 9.104 -2.331 -10.756 1.00 0.00 O ATOM 0 H GLU A 61 4.770 -0.122 -6.983 1.00 0.00 H new ATOM 0 HA GLU A 61 7.574 -0.613 -7.238 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.208 -0.655 -9.663 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.706 1.021 -9.539 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.865 0.528 -9.964 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.881 -0.795 -8.814 1.00 0.00 H new ATOM 797 N VAL A 62 7.982 1.845 -6.787 1.00 0.00 N ATOM 798 CA VAL A 62 8.155 3.178 -6.225 1.00 0.00 C ATOM 799 C VAL A 62 9.492 3.778 -6.648 1.00 0.00 C ATOM 800 O VAL A 62 10.533 3.475 -6.067 1.00 0.00 O ATOM 801 CB VAL A 62 8.076 3.155 -4.684 1.00 0.00 C ATOM 802 CG1 VAL A 62 8.220 4.559 -4.111 1.00 0.00 C ATOM 803 CG2 VAL A 62 6.772 2.518 -4.229 1.00 0.00 C ATOM 0 H VAL A 62 8.852 1.330 -6.923 1.00 0.00 H new ATOM 0 HA VAL A 62 7.343 3.794 -6.611 1.00 0.00 H new ATOM 0 HB VAL A 62 8.903 2.553 -4.308 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.161 4.516 -3.023 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.183 4.975 -4.406 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.419 5.192 -4.493 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.732 2.509 -3.140 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.931 3.092 -4.619 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.717 1.495 -4.602 1.00 0.00 H new ATOM 813 N ASN A 63 9.457 4.631 -7.668 1.00 0.00 N ATOM 814 CA ASN A 63 10.666 5.272 -8.172 1.00 0.00 C ATOM 815 C ASN A 63 11.643 4.237 -8.719 1.00 0.00 C ATOM 816 O ASN A 63 12.859 4.390 -8.592 1.00 0.00 O ATOM 817 CB ASN A 63 11.335 6.090 -7.066 1.00 0.00 C ATOM 818 CG ASN A 63 11.945 7.377 -7.585 1.00 0.00 C ATOM 819 OD1 ASN A 63 12.281 7.487 -8.765 1.00 0.00 O ATOM 820 ND2 ASN A 63 12.095 8.359 -6.705 1.00 0.00 N ATOM 0 H ASN A 63 8.604 4.894 -8.161 1.00 0.00 H new ATOM 0 HA ASN A 63 10.381 5.940 -8.985 1.00 0.00 H new ATOM 0 HB2 ASN A 63 10.600 6.325 -6.296 1.00 0.00 H new ATOM 0 HB3 ASN A 63 12.111 5.489 -6.593 1.00 0.00 H new ATOM 0 HD21 ASN A 63 12.502 9.247 -6.997 1.00 0.00 H new ATOM 0 HD22 ASN A 63 11.803 8.225 -5.737 1.00 0.00 H new ATOM 827 N GLY A 64 11.106 3.186 -9.327 1.00 0.00 N ATOM 828 CA GLY A 64 11.945 2.141 -9.884 1.00 0.00 C ATOM 829 C GLY A 64 12.111 0.965 -8.942 1.00 0.00 C ATOM 830 O GLY A 64 12.323 -0.166 -9.381 1.00 0.00 O ATOM 0 H GLY A 64 10.104 3.038 -9.444 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.512 1.793 -10.822 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.926 2.554 -10.120 1.00 0.00 H new ATOM 834 N VAL A 65 12.015 1.231 -7.643 1.00 0.00 N ATOM 835 CA VAL A 65 12.156 0.185 -6.637 1.00 0.00 C ATOM 836 C VAL A 65 11.005 -0.812 -6.716 1.00 0.00 C ATOM 837 O VAL A 65 9.837 -0.433 -6.635 1.00 0.00 O ATOM 838 CB VAL A 65 12.216 0.775 -5.216 1.00 0.00 C ATOM 839 CG1 VAL A 65 12.542 -0.310 -4.200 1.00 0.00 C ATOM 840 CG2 VAL A 65 13.234 1.903 -5.147 1.00 0.00 C ATOM 0 H VAL A 65 11.840 2.161 -7.263 1.00 0.00 H new ATOM 0 HA VAL A 65 13.093 -0.330 -6.846 1.00 0.00 H new ATOM 0 HB VAL A 65 11.236 1.186 -4.973 1.00 0.00 H new ATOM 0 HG11 VAL A 65 12.580 0.126 -3.202 1.00 0.00 H new ATOM 0 HG12 VAL A 65 11.771 -1.080 -4.230 1.00 0.00 H new ATOM 0 HG13 VAL A 65 13.508 -0.754 -4.439 1.00 0.00 H new ATOM 0 HG21 VAL A 65 13.262 2.307 -4.135 1.00 0.00 H new ATOM 0 HG22 VAL A 65 14.220 1.520 -5.412 1.00 0.00 H new ATOM 0 HG23 VAL A 65 12.951 2.691 -5.845 1.00 0.00 H new ATOM 850 N ASP A 66 11.343 -2.087 -6.872 1.00 0.00 N ATOM 851 CA ASP A 66 10.336 -3.139 -6.959 1.00 0.00 C ATOM 852 C ASP A 66 9.671 -3.367 -5.606 1.00 0.00 C ATOM 853 O ASP A 66 10.292 -3.886 -4.678 1.00 0.00 O ATOM 854 CB ASP A 66 10.968 -4.440 -7.458 1.00 0.00 C ATOM 855 CG ASP A 66 11.494 -4.320 -8.874 1.00 0.00 C ATOM 856 OD1 ASP A 66 12.273 -3.381 -9.140 1.00 0.00 O ATOM 857 OD2 ASP A 66 11.128 -5.165 -9.717 1.00 0.00 O ATOM 0 H ASP A 66 12.306 -2.417 -6.941 1.00 0.00 H new ATOM 0 HA ASP A 66 9.573 -2.820 -7.669 1.00 0.00 H new ATOM 0 HB2 ASP A 66 11.784 -4.723 -6.793 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.229 -5.240 -7.414 1.00 0.00 H new ATOM 862 N PHE A 67 8.406 -2.976 -5.500 1.00 0.00 N ATOM 863 CA PHE A 67 7.656 -3.136 -4.259 1.00 0.00 C ATOM 864 C PHE A 67 6.986 -4.509 -4.186 1.00 0.00 C ATOM 865 O PHE A 67 6.464 -4.895 -3.140 1.00 0.00 O ATOM 866 CB PHE A 67 6.604 -2.033 -4.134 1.00 0.00 C ATOM 867 CG PHE A 67 7.046 -0.871 -3.289 1.00 0.00 C ATOM 868 CD1 PHE A 67 8.341 -0.383 -3.379 1.00 0.00 C ATOM 869 CD2 PHE A 67 6.166 -0.265 -2.406 1.00 0.00 C ATOM 870 CE1 PHE A 67 8.748 0.686 -2.604 1.00 0.00 C ATOM 871 CE2 PHE A 67 6.569 0.803 -1.628 1.00 0.00 C ATOM 872 CZ PHE A 67 7.862 1.280 -1.727 1.00 0.00 C ATOM 0 H PHE A 67 7.878 -2.546 -6.259 1.00 0.00 H new ATOM 0 HA PHE A 67 8.359 -3.059 -3.430 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.350 -1.671 -5.130 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.695 -2.457 -3.707 1.00 0.00 H new ATOM 0 HD1 PHE A 67 9.039 -0.844 -4.062 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.154 -0.632 -2.325 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.759 1.057 -2.684 1.00 0.00 H new ATOM 0 HE2 PHE A 67 5.874 1.265 -0.943 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.179 2.115 -1.120 1.00 0.00 H new ATOM 882 N SER A 68 7.001 -5.243 -5.298 1.00 0.00 N ATOM 883 CA SER A 68 6.393 -6.567 -5.347 1.00 0.00 C ATOM 884 C SER A 68 6.983 -7.480 -4.275 1.00 0.00 C ATOM 885 O SER A 68 6.299 -8.355 -3.745 1.00 0.00 O ATOM 886 CB SER A 68 6.592 -7.192 -6.729 1.00 0.00 C ATOM 887 OG SER A 68 7.942 -7.571 -6.929 1.00 0.00 O ATOM 0 H SER A 68 7.427 -4.942 -6.174 1.00 0.00 H new ATOM 0 HA SER A 68 5.326 -6.455 -5.155 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.947 -8.065 -6.833 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.293 -6.481 -7.499 1.00 0.00 H new ATOM 0 HG SER A 68 8.042 -7.969 -7.819 1.00 0.00 H new ATOM 893 N ASN A 69 8.256 -7.267 -3.960 1.00 0.00 N ATOM 894 CA ASN A 69 8.938 -8.071 -2.951 1.00 0.00 C ATOM 895 C ASN A 69 9.709 -7.183 -1.979 1.00 0.00 C ATOM 896 O ASN A 69 10.755 -7.575 -1.461 1.00 0.00 O ATOM 897 CB ASN A 69 9.889 -9.066 -3.618 1.00 0.00 C ATOM 898 CG ASN A 69 9.243 -10.420 -3.845 1.00 0.00 C ATOM 899 OD1 ASN A 69 9.081 -11.207 -2.914 1.00 0.00 O ATOM 900 ND2 ASN A 69 8.872 -10.696 -5.090 1.00 0.00 N ATOM 0 H ASN A 69 8.836 -6.545 -4.388 1.00 0.00 H new ATOM 0 HA ASN A 69 8.184 -8.623 -2.390 1.00 0.00 H new ATOM 0 HB2 ASN A 69 10.223 -8.661 -4.573 1.00 0.00 H new ATOM 0 HB3 ASN A 69 10.776 -9.189 -2.997 1.00 0.00 H new ATOM 0 HD21 ASN A 69 8.433 -11.591 -5.305 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.026 -10.013 -5.831 1.00 0.00 H new ATOM 907 N LEU A 70 9.183 -5.987 -1.735 1.00 0.00 N ATOM 908 CA LEU A 70 9.820 -5.044 -0.824 1.00 0.00 C ATOM 909 C LEU A 70 9.278 -5.205 0.594 1.00 0.00 C ATOM 910 O LEU A 70 8.110 -5.544 0.787 1.00 0.00 O ATOM 911 CB LEU A 70 9.600 -3.608 -1.306 1.00 0.00 C ATOM 912 CG LEU A 70 10.310 -2.531 -0.481 1.00 0.00 C ATOM 913 CD1 LEU A 70 11.531 -2.007 -1.221 1.00 0.00 C ATOM 914 CD2 LEU A 70 9.355 -1.392 -0.154 1.00 0.00 C ATOM 0 H LEU A 70 8.318 -5.648 -2.155 1.00 0.00 H new ATOM 0 HA LEU A 70 10.889 -5.256 -0.811 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.936 -3.533 -2.340 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.530 -3.400 -1.303 1.00 0.00 H new ATOM 0 HG LEU A 70 10.643 -2.981 0.454 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.022 -1.243 -0.618 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.226 -2.827 -1.403 1.00 0.00 H new ATOM 0 HD13 LEU A 70 11.222 -1.575 -2.173 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.877 -0.636 0.433 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.991 -0.945 -1.079 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.512 -1.777 0.419 1.00 0.00 H new ATOM 926 N ASP A 71 10.132 -4.959 1.581 1.00 0.00 N ATOM 927 CA ASP A 71 9.739 -5.078 2.981 1.00 0.00 C ATOM 928 C ASP A 71 8.812 -3.936 3.385 1.00 0.00 C ATOM 929 O ASP A 71 8.742 -2.911 2.709 1.00 0.00 O ATOM 930 CB ASP A 71 10.974 -5.090 3.881 1.00 0.00 C ATOM 931 CG ASP A 71 11.461 -6.496 4.177 1.00 0.00 C ATOM 932 OD1 ASP A 71 11.655 -7.271 3.218 1.00 0.00 O ATOM 933 OD2 ASP A 71 11.648 -6.821 5.368 1.00 0.00 O ATOM 0 H ASP A 71 11.101 -4.676 1.438 1.00 0.00 H new ATOM 0 HA ASP A 71 9.202 -6.019 3.102 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.774 -4.525 3.403 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.742 -4.584 4.818 1.00 0.00 H new ATOM 938 N HIS A 72 8.102 -4.122 4.494 1.00 0.00 N ATOM 939 CA HIS A 72 7.180 -3.107 4.991 1.00 0.00 C ATOM 940 C HIS A 72 7.929 -1.832 5.368 1.00 0.00 C ATOM 941 O HIS A 72 7.643 -0.755 4.844 1.00 0.00 O ATOM 942 CB HIS A 72 6.410 -3.638 6.200 1.00 0.00 C ATOM 943 CG HIS A 72 5.340 -2.709 6.684 1.00 0.00 C ATOM 944 ND1 HIS A 72 4.120 -2.572 6.056 1.00 0.00 N ATOM 945 CD2 HIS A 72 5.312 -1.867 7.745 1.00 0.00 C ATOM 946 CE1 HIS A 72 3.388 -1.686 6.709 1.00 0.00 C ATOM 947 NE2 HIS A 72 4.088 -1.244 7.737 1.00 0.00 N ATOM 0 H HIS A 72 8.148 -4.966 5.065 1.00 0.00 H new ATOM 0 HA HIS A 72 6.474 -2.870 4.196 1.00 0.00 H new ATOM 0 HB2 HIS A 72 5.958 -4.595 5.941 1.00 0.00 H new ATOM 0 HB3 HIS A 72 7.111 -3.826 7.013 1.00 0.00 H new ATOM 0 HD1 HIS A 72 3.828 -3.076 5.218 1.00 0.00 H new ATOM 0 HD2 HIS A 72 6.104 -1.714 8.463 1.00 0.00 H new ATOM 0 HE1 HIS A 72 2.387 -1.376 6.446 1.00 0.00 H new ATOM 956 N LYS A 73 8.889 -1.963 6.278 1.00 0.00 N ATOM 957 CA LYS A 73 9.682 -0.822 6.722 1.00 0.00 C ATOM 958 C LYS A 73 10.374 -0.150 5.540 1.00 0.00 C ATOM 959 O LYS A 73 10.511 1.072 5.502 1.00 0.00 O ATOM 960 CB LYS A 73 10.722 -1.267 7.753 1.00 0.00 C ATOM 961 CG LYS A 73 11.495 -2.510 7.339 1.00 0.00 C ATOM 962 CD LYS A 73 11.467 -3.574 8.426 1.00 0.00 C ATOM 963 CE LYS A 73 12.289 -3.160 9.636 1.00 0.00 C ATOM 964 NZ LYS A 73 11.564 -3.414 10.912 1.00 0.00 N ATOM 0 H LYS A 73 9.137 -2.847 6.722 1.00 0.00 H new ATOM 0 HA LYS A 73 9.009 -0.100 7.185 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.425 -0.452 7.923 1.00 0.00 H new ATOM 0 HB3 LYS A 73 10.222 -1.460 8.702 1.00 0.00 H new ATOM 0 HG2 LYS A 73 11.069 -2.915 6.421 1.00 0.00 H new ATOM 0 HG3 LYS A 73 12.528 -2.241 7.119 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.437 -3.757 8.731 1.00 0.00 H new ATOM 0 HD3 LYS A 73 11.853 -4.512 8.027 1.00 0.00 H new ATOM 0 HE2 LYS A 73 13.232 -3.707 9.639 1.00 0.00 H new ATOM 0 HE3 LYS A 73 12.535 -2.101 9.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 12.158 -3.119 11.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.676 -2.872 10.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 11.351 -4.429 10.994 1.00 0.00 H new ATOM 978 N GLU A 74 10.803 -0.958 4.576 1.00 0.00 N ATOM 979 CA GLU A 74 11.475 -0.442 3.390 1.00 0.00 C ATOM 980 C GLU A 74 10.534 0.451 2.586 1.00 0.00 C ATOM 981 O GLU A 74 10.942 1.486 2.061 1.00 0.00 O ATOM 982 CB GLU A 74 11.978 -1.595 2.519 1.00 0.00 C ATOM 983 CG GLU A 74 13.494 -1.703 2.468 1.00 0.00 C ATOM 984 CD GLU A 74 14.052 -2.595 3.559 1.00 0.00 C ATOM 985 OE1 GLU A 74 13.940 -3.832 3.429 1.00 0.00 O ATOM 986 OE2 GLU A 74 14.601 -2.057 4.545 1.00 0.00 O ATOM 0 H GLU A 74 10.697 -1.972 4.593 1.00 0.00 H new ATOM 0 HA GLU A 74 12.329 0.154 3.712 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.568 -2.531 2.898 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.597 -1.467 1.506 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.794 -2.093 1.496 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.929 -0.708 2.560 1.00 0.00 H new ATOM 993 N ALA A 75 9.273 0.042 2.501 1.00 0.00 N ATOM 994 CA ALA A 75 8.270 0.805 1.768 1.00 0.00 C ATOM 995 C ALA A 75 8.058 2.173 2.405 1.00 0.00 C ATOM 996 O ALA A 75 8.030 3.194 1.719 1.00 0.00 O ATOM 997 CB ALA A 75 6.959 0.036 1.715 1.00 0.00 C ATOM 0 H ALA A 75 8.921 -0.814 2.931 1.00 0.00 H new ATOM 0 HA ALA A 75 8.630 0.956 0.750 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.219 0.617 1.165 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.117 -0.919 1.213 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.600 -0.142 2.729 1.00 0.00 H new ATOM 1003 N VAL A 76 7.914 2.184 3.725 1.00 0.00 N ATOM 1004 CA VAL A 76 7.710 3.427 4.456 1.00 0.00 C ATOM 1005 C VAL A 76 8.965 4.294 4.419 1.00 0.00 C ATOM 1006 O VAL A 76 8.881 5.520 4.364 1.00 0.00 O ATOM 1007 CB VAL A 76 7.325 3.160 5.923 1.00 0.00 C ATOM 1008 CG1 VAL A 76 6.996 4.463 6.637 1.00 0.00 C ATOM 1009 CG2 VAL A 76 6.155 2.191 6.002 1.00 0.00 C ATOM 0 H VAL A 76 7.935 1.348 4.309 1.00 0.00 H new ATOM 0 HA VAL A 76 6.891 3.954 3.966 1.00 0.00 H new ATOM 0 HB VAL A 76 8.179 2.704 6.424 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.727 4.253 7.672 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.866 5.120 6.615 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.160 4.951 6.136 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.898 2.015 7.047 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.295 2.615 5.483 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.432 1.247 5.533 1.00 0.00 H new ATOM 1019 N ASN A 77 10.125 3.648 4.452 1.00 0.00 N ATOM 1020 CA ASN A 77 11.398 4.359 4.428 1.00 0.00 C ATOM 1021 C ASN A 77 11.566 5.147 3.133 1.00 0.00 C ATOM 1022 O ASN A 77 11.736 6.365 3.160 1.00 0.00 O ATOM 1023 CB ASN A 77 12.560 3.377 4.592 1.00 0.00 C ATOM 1024 CG ASN A 77 13.692 3.957 5.417 1.00 0.00 C ATOM 1025 OD1 ASN A 77 14.038 3.428 6.474 1.00 0.00 O ATOM 1026 ND2 ASN A 77 14.275 5.047 4.935 1.00 0.00 N ATOM 0 H ASN A 77 10.210 2.633 4.495 1.00 0.00 H new ATOM 0 HA ASN A 77 11.402 5.062 5.261 1.00 0.00 H new ATOM 0 HB2 ASN A 77 12.198 2.465 5.067 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.937 3.096 3.609 1.00 0.00 H new ATOM 0 HD21 ASN A 77 15.044 5.482 5.445 1.00 0.00 H new ATOM 0 HD22 ASN A 77 13.954 5.450 4.055 1.00 0.00 H new ATOM 1033 N VAL A 78 11.523 4.450 2.002 1.00 0.00 N ATOM 1034 CA VAL A 78 11.676 5.096 0.704 1.00 0.00 C ATOM 1035 C VAL A 78 10.627 6.186 0.506 1.00 0.00 C ATOM 1036 O VAL A 78 10.928 7.265 -0.007 1.00 0.00 O ATOM 1037 CB VAL A 78 11.580 4.081 -0.453 1.00 0.00 C ATOM 1038 CG1 VAL A 78 12.686 3.043 -0.345 1.00 0.00 C ATOM 1039 CG2 VAL A 78 10.215 3.412 -0.468 1.00 0.00 C ATOM 0 H VAL A 78 11.384 3.440 1.958 1.00 0.00 H new ATOM 0 HA VAL A 78 12.669 5.545 0.692 1.00 0.00 H new ATOM 0 HB VAL A 78 11.705 4.619 -1.393 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.602 2.335 -1.170 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.656 3.539 -0.389 1.00 0.00 H new ATOM 0 HG13 VAL A 78 12.594 2.510 0.601 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.168 2.700 -1.292 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.056 2.888 0.474 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.441 4.168 -0.598 1.00 0.00 H new ATOM 1049 N LEU A 79 9.397 5.902 0.920 1.00 0.00 N ATOM 1050 CA LEU A 79 8.309 6.864 0.791 1.00 0.00 C ATOM 1051 C LEU A 79 8.554 8.076 1.687 1.00 0.00 C ATOM 1052 O LEU A 79 8.157 9.195 1.358 1.00 0.00 O ATOM 1053 CB LEU A 79 6.972 6.210 1.151 1.00 0.00 C ATOM 1054 CG LEU A 79 6.179 5.650 -0.034 1.00 0.00 C ATOM 1055 CD1 LEU A 79 5.650 6.776 -0.907 1.00 0.00 C ATOM 1056 CD2 LEU A 79 7.042 4.700 -0.852 1.00 0.00 C ATOM 0 H LEU A 79 9.129 5.015 1.347 1.00 0.00 H new ATOM 0 HA LEU A 79 8.271 7.198 -0.246 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.160 5.401 1.856 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.354 6.945 1.666 1.00 0.00 H new ATOM 0 HG LEU A 79 5.328 5.093 0.357 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.090 6.356 -1.743 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.995 7.417 -0.317 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.485 7.364 -1.289 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.462 4.312 -1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.913 5.234 -1.230 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.369 3.872 -0.223 1.00 0.00 H new ATOM 1068 N LYS A 80 9.208 7.843 2.822 1.00 0.00 N ATOM 1069 CA LYS A 80 9.507 8.909 3.772 1.00 0.00 C ATOM 1070 C LYS A 80 10.763 9.676 3.365 1.00 0.00 C ATOM 1071 O LYS A 80 10.890 10.869 3.636 1.00 0.00 O ATOM 1072 CB LYS A 80 9.688 8.329 5.177 1.00 0.00 C ATOM 1073 CG LYS A 80 8.447 8.431 6.051 1.00 0.00 C ATOM 1074 CD LYS A 80 7.219 7.867 5.352 1.00 0.00 C ATOM 1075 CE LYS A 80 5.944 8.215 6.103 1.00 0.00 C ATOM 1076 NZ LYS A 80 5.617 9.664 6.006 1.00 0.00 N ATOM 0 H LYS A 80 9.542 6.922 3.106 1.00 0.00 H new ATOM 0 HA LYS A 80 8.666 9.603 3.772 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.976 7.281 5.092 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.511 8.847 5.670 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.614 7.893 6.984 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.270 9.474 6.312 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.164 8.260 4.337 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.311 6.784 5.270 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.116 7.629 5.703 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.054 7.938 7.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.638 9.821 6.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.265 10.207 6.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.719 9.978 5.020 1.00 0.00 H new ATOM 1090 N SER A 81 11.692 8.978 2.720 1.00 0.00 N ATOM 1091 CA SER A 81 12.943 9.589 2.284 1.00 0.00 C ATOM 1092 C SER A 81 12.728 10.479 1.064 1.00 0.00 C ATOM 1093 O SER A 81 12.842 11.702 1.147 1.00 0.00 O ATOM 1094 CB SER A 81 13.977 8.507 1.963 1.00 0.00 C ATOM 1095 OG SER A 81 15.234 9.078 1.648 1.00 0.00 O ATOM 0 H SER A 81 11.602 7.989 2.488 1.00 0.00 H new ATOM 0 HA SER A 81 13.313 10.211 3.099 1.00 0.00 H new ATOM 0 HB2 SER A 81 14.083 7.837 2.816 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.628 7.904 1.125 1.00 0.00 H new ATOM 0 HG SER A 81 15.876 8.365 1.449 1.00 0.00 H new ATOM 1101 N SER A 82 12.422 9.856 -0.070 1.00 0.00 N ATOM 1102 CA SER A 82 12.198 10.591 -1.309 1.00 0.00 C ATOM 1103 C SER A 82 10.943 11.454 -1.216 1.00 0.00 C ATOM 1104 O SER A 82 9.839 10.943 -1.031 1.00 0.00 O ATOM 1105 CB SER A 82 12.082 9.624 -2.491 1.00 0.00 C ATOM 1106 OG SER A 82 12.189 8.277 -2.064 1.00 0.00 O ATOM 0 H SER A 82 12.324 8.844 -0.156 1.00 0.00 H new ATOM 0 HA SER A 82 13.054 11.246 -1.469 1.00 0.00 H new ATOM 0 HB2 SER A 82 11.127 9.774 -2.994 1.00 0.00 H new ATOM 0 HB3 SER A 82 12.864 9.840 -3.219 1.00 0.00 H new ATOM 0 HG SER A 82 11.427 8.054 -1.489 1.00 0.00 H new ATOM 1112 N ARG A 83 11.121 12.765 -1.351 1.00 0.00 N ATOM 1113 CA ARG A 83 10.002 13.697 -1.288 1.00 0.00 C ATOM 1114 C ARG A 83 9.050 13.469 -2.458 1.00 0.00 C ATOM 1115 O ARG A 83 7.861 13.209 -2.264 1.00 0.00 O ATOM 1116 CB ARG A 83 10.512 15.139 -1.302 1.00 0.00 C ATOM 1117 CG ARG A 83 9.522 16.143 -0.732 1.00 0.00 C ATOM 1118 CD ARG A 83 10.216 17.192 0.126 1.00 0.00 C ATOM 1119 NE ARG A 83 9.738 18.541 -0.166 1.00 0.00 N ATOM 1120 CZ ARG A 83 10.329 19.648 0.280 1.00 0.00 C ATOM 1121 NH1 ARG A 83 11.416 19.570 1.038 1.00 0.00 N ATOM 1122 NH2 ARG A 83 9.831 20.836 -0.034 1.00 0.00 N ATOM 0 H ARG A 83 12.029 13.205 -1.504 1.00 0.00 H new ATOM 0 HA ARG A 83 9.461 13.522 -0.358 1.00 0.00 H new ATOM 0 HB2 ARG A 83 11.439 15.193 -0.732 1.00 0.00 H new ATOM 0 HB3 ARG A 83 10.752 15.420 -2.327 1.00 0.00 H new ATOM 0 HG2 ARG A 83 8.990 16.633 -1.548 1.00 0.00 H new ATOM 0 HG3 ARG A 83 8.776 15.619 -0.134 1.00 0.00 H new ATOM 0 HD2 ARG A 83 10.048 16.968 1.179 1.00 0.00 H new ATOM 0 HD3 ARG A 83 11.292 17.144 -0.042 1.00 0.00 H new ATOM 0 HE ARG A 83 8.904 18.641 -0.745 1.00 0.00 H new ATOM 0 HH11 ARG A 83 11.803 18.658 1.282 1.00 0.00 H new ATOM 0 HH12 ARG A 83 11.864 20.422 1.376 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.996 20.901 -0.616 1.00 0.00 H new ATOM 0 HH22 ARG A 83 10.283 21.685 0.307 1.00 0.00 H new ATOM 1136 N SER A 84 9.584 13.559 -3.671 1.00 0.00 N ATOM 1137 CA SER A 84 8.791 13.351 -4.877 1.00 0.00 C ATOM 1138 C SER A 84 9.175 12.035 -5.542 1.00 0.00 C ATOM 1139 O SER A 84 10.238 11.924 -6.153 1.00 0.00 O ATOM 1140 CB SER A 84 8.993 14.512 -5.854 1.00 0.00 C ATOM 1141 OG SER A 84 7.828 14.734 -6.631 1.00 0.00 O ATOM 0 H SER A 84 10.565 13.775 -3.845 1.00 0.00 H new ATOM 0 HA SER A 84 7.739 13.309 -4.596 1.00 0.00 H new ATOM 0 HB2 SER A 84 9.243 15.417 -5.301 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.836 14.296 -6.510 1.00 0.00 H new ATOM 0 HG SER A 84 7.982 15.481 -7.246 1.00 0.00 H new ATOM 1147 N LEU A 85 8.311 11.035 -5.410 1.00 0.00 N ATOM 1148 CA LEU A 85 8.572 9.721 -5.990 1.00 0.00 C ATOM 1149 C LEU A 85 7.369 9.210 -6.774 1.00 0.00 C ATOM 1150 O LEU A 85 6.220 9.438 -6.392 1.00 0.00 O ATOM 1151 CB LEU A 85 8.942 8.712 -4.893 1.00 0.00 C ATOM 1152 CG LEU A 85 8.699 9.181 -3.456 1.00 0.00 C ATOM 1153 CD1 LEU A 85 7.214 9.393 -3.207 1.00 0.00 C ATOM 1154 CD2 LEU A 85 9.270 8.178 -2.464 1.00 0.00 C ATOM 0 H LEU A 85 7.426 11.108 -4.908 1.00 0.00 H new ATOM 0 HA LEU A 85 9.410 9.827 -6.679 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.374 7.797 -5.059 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.996 8.456 -5.000 1.00 0.00 H new ATOM 0 HG LEU A 85 9.210 10.134 -3.314 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.061 9.726 -2.180 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.834 10.149 -3.894 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.681 8.456 -3.368 1.00 0.00 H new ATOM 0 HD21 LEU A 85 9.088 8.528 -1.448 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.788 7.211 -2.607 1.00 0.00 H new ATOM 0 HD23 LEU A 85 10.343 8.076 -2.626 1.00 0.00 H new ATOM 1166 N THR A 86 7.643 8.504 -7.867 1.00 0.00 N ATOM 1167 CA THR A 86 6.590 7.942 -8.701 1.00 0.00 C ATOM 1168 C THR A 86 6.288 6.512 -8.272 1.00 0.00 C ATOM 1169 O THR A 86 7.150 5.637 -8.349 1.00 0.00 O ATOM 1170 CB THR A 86 7.001 7.974 -10.173 1.00 0.00 C ATOM 1171 OG1 THR A 86 7.834 9.088 -10.438 1.00 0.00 O ATOM 1172 CG2 THR A 86 5.824 8.043 -11.122 1.00 0.00 C ATOM 0 H THR A 86 8.589 8.308 -8.195 1.00 0.00 H new ATOM 0 HA THR A 86 5.690 8.545 -8.578 1.00 0.00 H new ATOM 0 HB THR A 86 7.530 7.037 -10.345 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.313 9.914 -10.353 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.186 8.063 -12.150 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.189 7.169 -10.978 1.00 0.00 H new ATOM 0 HG23 THR A 86 5.248 8.947 -10.923 1.00 0.00 H new ATOM 1180 N ILE A 87 5.066 6.280 -7.810 1.00 0.00 N ATOM 1181 CA ILE A 87 4.661 4.955 -7.358 1.00 0.00 C ATOM 1182 C ILE A 87 3.660 4.320 -8.316 1.00 0.00 C ATOM 1183 O ILE A 87 2.635 4.916 -8.645 1.00 0.00 O ATOM 1184 CB ILE A 87 4.046 5.009 -5.946 1.00 0.00 C ATOM 1185 CG1 ILE A 87 2.985 6.109 -5.868 1.00 0.00 C ATOM 1186 CG2 ILE A 87 5.132 5.235 -4.904 1.00 0.00 C ATOM 1187 CD1 ILE A 87 2.366 6.260 -4.496 1.00 0.00 C ATOM 0 H ILE A 87 4.339 6.991 -7.738 1.00 0.00 H new ATOM 0 HA ILE A 87 5.563 4.343 -7.332 1.00 0.00 H new ATOM 0 HB ILE A 87 3.565 4.053 -5.739 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.436 7.058 -6.160 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.198 5.894 -6.591 1.00 0.00 H new ATOM 0 HG21 ILE A 87 4.682 5.271 -3.912 1.00 0.00 H new ATOM 0 HG22 ILE A 87 5.853 4.418 -4.947 1.00 0.00 H new ATOM 0 HG23 ILE A 87 5.640 6.178 -5.106 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.624 7.058 -4.518 1.00 0.00 H new ATOM 0 HD12 ILE A 87 1.885 5.325 -4.209 1.00 0.00 H new ATOM 0 HD13 ILE A 87 3.142 6.506 -3.772 1.00 0.00 H new ATOM 1199 N SER A 88 3.964 3.103 -8.753 1.00 0.00 N ATOM 1200 CA SER A 88 3.091 2.378 -9.666 1.00 0.00 C ATOM 1201 C SER A 88 2.245 1.362 -8.908 1.00 0.00 C ATOM 1202 O SER A 88 2.733 0.304 -8.511 1.00 0.00 O ATOM 1203 CB SER A 88 3.917 1.671 -10.742 1.00 0.00 C ATOM 1204 OG SER A 88 3.267 1.720 -12.001 1.00 0.00 O ATOM 0 H SER A 88 4.810 2.598 -8.489 1.00 0.00 H new ATOM 0 HA SER A 88 2.426 3.096 -10.145 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.898 2.140 -10.818 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.081 0.632 -10.455 1.00 0.00 H new ATOM 0 HG SER A 88 3.817 1.263 -12.671 1.00 0.00 H new ATOM 1210 N ILE A 89 0.976 1.695 -8.704 1.00 0.00 N ATOM 1211 CA ILE A 89 0.061 0.817 -7.987 1.00 0.00 C ATOM 1212 C ILE A 89 -0.904 0.130 -8.946 1.00 0.00 C ATOM 1213 O ILE A 89 -1.316 0.709 -9.946 1.00 0.00 O ATOM 1214 CB ILE A 89 -0.742 1.602 -6.927 1.00 0.00 C ATOM 1215 CG1 ILE A 89 -1.707 0.672 -6.178 1.00 0.00 C ATOM 1216 CG2 ILE A 89 -1.488 2.760 -7.575 1.00 0.00 C ATOM 1217 CD1 ILE A 89 -3.051 0.489 -6.858 1.00 0.00 C ATOM 0 H ILE A 89 0.557 2.568 -9.026 1.00 0.00 H new ATOM 0 HA ILE A 89 0.664 0.059 -7.487 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.044 2.014 -6.199 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.236 -0.304 -6.062 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.871 1.068 -5.176 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.049 3.303 -6.814 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.774 3.433 -8.049 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.176 2.374 -8.327 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -3.671 -0.182 -6.263 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.547 1.455 -6.950 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.902 0.062 -7.850 1.00 0.00 H new ATOM 1229 N VAL A 90 -1.264 -1.110 -8.633 1.00 0.00 N ATOM 1230 CA VAL A 90 -2.185 -1.870 -9.470 1.00 0.00 C ATOM 1231 C VAL A 90 -3.479 -2.162 -8.720 1.00 0.00 C ATOM 1232 O VAL A 90 -3.477 -2.841 -7.692 1.00 0.00 O ATOM 1233 CB VAL A 90 -1.557 -3.192 -9.943 1.00 0.00 C ATOM 1234 CG1 VAL A 90 -2.482 -3.912 -10.914 1.00 0.00 C ATOM 1235 CG2 VAL A 90 -0.198 -2.940 -10.580 1.00 0.00 C ATOM 0 H VAL A 90 -0.933 -1.609 -7.808 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.405 -1.259 -10.345 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.414 -3.833 -9.073 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -2.018 -4.844 -11.235 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.429 -4.130 -10.421 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.662 -3.278 -11.782 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.231 -3.887 -10.909 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.315 -2.278 -11.438 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.465 -2.475 -9.851 1.00 0.00 H new ATOM 1245 N ALA A 91 -4.583 -1.633 -9.235 1.00 0.00 N ATOM 1246 CA ALA A 91 -5.888 -1.819 -8.615 1.00 0.00 C ATOM 1247 C ALA A 91 -6.248 -3.296 -8.476 1.00 0.00 C ATOM 1248 O ALA A 91 -6.071 -4.080 -9.408 1.00 0.00 O ATOM 1249 CB ALA A 91 -6.957 -1.092 -9.418 1.00 0.00 C ATOM 0 H ALA A 91 -4.599 -1.069 -10.085 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.839 -1.397 -7.611 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.929 -1.238 -8.946 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.726 -0.027 -9.452 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -6.983 -1.490 -10.433 1.00 0.00 H new ATOM 1255 N ALA A 92 -6.767 -3.657 -7.302 1.00 0.00 N ATOM 1256 CA ALA A 92 -7.180 -5.032 -7.009 1.00 0.00 C ATOM 1257 C ALA A 92 -6.009 -5.912 -6.570 1.00 0.00 C ATOM 1258 O ALA A 92 -6.216 -6.978 -5.988 1.00 0.00 O ATOM 1259 CB ALA A 92 -7.892 -5.654 -8.203 1.00 0.00 C ATOM 0 H ALA A 92 -6.913 -3.008 -6.529 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.877 -4.977 -6.172 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.188 -6.674 -7.959 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.778 -5.067 -8.444 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.220 -5.666 -9.061 1.00 0.00 H new ATOM 1265 N ALA A 93 -4.783 -5.475 -6.841 1.00 0.00 N ATOM 1266 CA ALA A 93 -3.601 -6.242 -6.457 1.00 0.00 C ATOM 1267 C ALA A 93 -3.582 -6.514 -4.954 1.00 0.00 C ATOM 1268 O ALA A 93 -2.897 -7.423 -4.485 1.00 0.00 O ATOM 1269 CB ALA A 93 -2.338 -5.505 -6.879 1.00 0.00 C ATOM 0 H ALA A 93 -4.582 -4.599 -7.322 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.639 -7.203 -6.970 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.463 -6.086 -6.588 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.340 -5.370 -7.961 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.305 -4.531 -6.391 1.00 0.00 H new ATOM 1275 N GLY A 94 -4.338 -5.716 -4.205 1.00 0.00 N ATOM 1276 CA GLY A 94 -4.400 -5.870 -2.763 1.00 0.00 C ATOM 1277 C GLY A 94 -5.759 -6.348 -2.286 1.00 0.00 C ATOM 1278 O GLY A 94 -5.864 -7.011 -1.254 1.00 0.00 O ATOM 0 H GLY A 94 -4.913 -4.959 -4.576 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.637 -6.580 -2.444 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.167 -4.916 -2.289 1.00 0.00 H new ATOM 1282 N ARG A 95 -6.806 -5.985 -3.024 1.00 0.00 N ATOM 1283 CA ARG A 95 -8.169 -6.357 -2.655 1.00 0.00 C ATOM 1284 C ARG A 95 -8.305 -7.868 -2.489 1.00 0.00 C ATOM 1285 O ARG A 95 -9.051 -8.339 -1.630 1.00 0.00 O ATOM 1286 CB ARG A 95 -9.160 -5.850 -3.714 1.00 0.00 C ATOM 1287 CG ARG A 95 -9.274 -6.746 -4.945 1.00 0.00 C ATOM 1288 CD ARG A 95 -10.463 -6.360 -5.815 1.00 0.00 C ATOM 1289 NE ARG A 95 -10.696 -4.916 -5.832 1.00 0.00 N ATOM 1290 CZ ARG A 95 -11.860 -4.358 -6.158 1.00 0.00 C ATOM 1291 NH1 ARG A 95 -12.896 -5.114 -6.502 1.00 0.00 N ATOM 1292 NH2 ARG A 95 -11.990 -3.038 -6.143 1.00 0.00 N ATOM 0 H ARG A 95 -6.736 -5.434 -3.880 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.398 -5.891 -1.697 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.145 -5.753 -3.257 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -8.856 -4.852 -4.031 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.357 -6.678 -5.531 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.375 -7.785 -4.631 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -10.293 -6.710 -6.833 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -11.357 -6.865 -5.449 1.00 0.00 H new ATOM 0 HE ARG A 95 -9.922 -4.301 -5.580 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -12.803 -6.130 -6.518 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -13.785 -4.679 -6.750 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -11.198 -2.450 -5.882 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -12.882 -2.610 -6.393 1.00 0.00 H new ATOM 1306 N GLU A 96 -7.575 -8.625 -3.301 1.00 0.00 N ATOM 1307 CA GLU A 96 -7.617 -10.080 -3.218 1.00 0.00 C ATOM 1308 C GLU A 96 -7.269 -10.535 -1.804 1.00 0.00 C ATOM 1309 O GLU A 96 -7.919 -11.417 -1.243 1.00 0.00 O ATOM 1310 CB GLU A 96 -6.650 -10.703 -4.224 1.00 0.00 C ATOM 1311 CG GLU A 96 -6.790 -12.211 -4.350 1.00 0.00 C ATOM 1312 CD GLU A 96 -6.222 -12.743 -5.651 1.00 0.00 C ATOM 1313 OE1 GLU A 96 -5.124 -12.295 -6.046 1.00 0.00 O ATOM 1314 OE2 GLU A 96 -6.873 -13.608 -6.275 1.00 0.00 O ATOM 0 H GLU A 96 -6.951 -8.258 -4.020 1.00 0.00 H new ATOM 0 HA GLU A 96 -8.627 -10.412 -3.458 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.813 -10.249 -5.201 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.628 -10.465 -3.928 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.282 -12.690 -3.513 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.844 -12.481 -4.280 1.00 0.00 H new ATOM 1321 N LEU A 97 -6.239 -9.915 -1.235 1.00 0.00 N ATOM 1322 CA LEU A 97 -5.796 -10.237 0.116 1.00 0.00 C ATOM 1323 C LEU A 97 -6.799 -9.732 1.150 1.00 0.00 C ATOM 1324 O LEU A 97 -7.217 -10.474 2.039 1.00 0.00 O ATOM 1325 CB LEU A 97 -4.423 -9.617 0.382 1.00 0.00 C ATOM 1326 CG LEU A 97 -3.256 -10.276 -0.356 1.00 0.00 C ATOM 1327 CD1 LEU A 97 -3.023 -11.686 0.167 1.00 0.00 C ATOM 1328 CD2 LEU A 97 -3.515 -10.300 -1.854 1.00 0.00 C ATOM 0 H LEU A 97 -5.694 -9.184 -1.692 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.724 -11.321 0.202 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.458 -8.563 0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.225 -9.659 1.453 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.358 -9.687 -0.173 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.189 -12.140 -0.369 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.791 -11.646 1.231 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.921 -12.284 0.014 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.674 -10.772 -2.361 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.425 -10.865 -2.057 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.632 -9.280 -2.219 1.00 0.00 H new ATOM 1340 N PHE A 98 -7.177 -8.461 1.028 1.00 0.00 N ATOM 1341 CA PHE A 98 -8.127 -7.844 1.951 1.00 0.00 C ATOM 1342 C PHE A 98 -9.375 -8.705 2.123 1.00 0.00 C ATOM 1343 O PHE A 98 -9.982 -8.726 3.194 1.00 0.00 O ATOM 1344 CB PHE A 98 -8.519 -6.451 1.450 1.00 0.00 C ATOM 1345 CG PHE A 98 -7.714 -5.344 2.070 1.00 0.00 C ATOM 1346 CD1 PHE A 98 -7.972 -4.925 3.366 1.00 0.00 C ATOM 1347 CD2 PHE A 98 -6.701 -4.723 1.357 1.00 0.00 C ATOM 1348 CE1 PHE A 98 -7.232 -3.907 3.940 1.00 0.00 C ATOM 1349 CE2 PHE A 98 -5.959 -3.704 1.925 1.00 0.00 C ATOM 1350 CZ PHE A 98 -6.225 -3.297 3.218 1.00 0.00 C ATOM 0 H PHE A 98 -6.838 -7.837 0.296 1.00 0.00 H new ATOM 0 HA PHE A 98 -7.641 -7.756 2.922 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -8.398 -6.415 0.367 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -9.575 -6.282 1.658 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -8.759 -5.399 3.934 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -6.489 -5.039 0.346 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -7.441 -3.590 4.951 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -5.173 -3.227 1.359 1.00 0.00 H new ATOM 0 HZ PHE A 98 -5.646 -2.502 3.664 1.00 0.00 H new ATOM 1360 N MET A 99 -9.753 -9.412 1.064 1.00 0.00 N ATOM 1361 CA MET A 99 -10.929 -10.274 1.101 1.00 0.00 C ATOM 1362 C MET A 99 -10.629 -11.576 1.837 1.00 0.00 C ATOM 1363 O MET A 99 -11.331 -11.945 2.778 1.00 0.00 O ATOM 1364 CB MET A 99 -11.411 -10.575 -0.318 1.00 0.00 C ATOM 1365 CG MET A 99 -12.016 -9.371 -1.022 1.00 0.00 C ATOM 1366 SD MET A 99 -13.799 -9.251 -0.781 1.00 0.00 S ATOM 1367 CE MET A 99 -13.875 -8.724 0.930 1.00 0.00 C ATOM 0 H MET A 99 -9.263 -9.405 0.170 1.00 0.00 H new ATOM 0 HA MET A 99 -11.716 -9.748 1.641 1.00 0.00 H new ATOM 0 HB2 MET A 99 -10.572 -10.946 -0.907 1.00 0.00 H new ATOM 0 HB3 MET A 99 -12.152 -11.374 -0.280 1.00 0.00 H new ATOM 0 HG2 MET A 99 -11.541 -8.462 -0.653 1.00 0.00 H new ATOM 0 HG3 MET A 99 -11.800 -9.432 -2.089 1.00 0.00 H new ATOM 0 HE1 MET A 99 -14.767 -8.116 1.084 1.00 0.00 H new ATOM 0 HE2 MET A 99 -13.916 -9.599 1.579 1.00 0.00 H new ATOM 0 HE3 MET A 99 -12.989 -8.136 1.169 1.00 0.00 H new ATOM 1377 N THR A 100 -9.582 -12.268 1.401 1.00 0.00 N ATOM 1378 CA THR A 100 -9.189 -13.530 2.018 1.00 0.00 C ATOM 1379 C THR A 100 -10.304 -14.564 1.902 1.00 0.00 C ATOM 1380 O THR A 100 -11.298 -14.504 2.625 1.00 0.00 O ATOM 1381 CB THR A 100 -8.831 -13.314 3.489 1.00 0.00 C ATOM 1382 OG1 THR A 100 -8.161 -12.080 3.667 1.00 0.00 O ATOM 1383 CG2 THR A 100 -7.946 -14.403 4.054 1.00 0.00 C ATOM 0 H THR A 100 -8.990 -11.977 0.623 1.00 0.00 H new ATOM 0 HA THR A 100 -8.313 -13.905 1.489 1.00 0.00 H new ATOM 0 HB THR A 100 -9.781 -13.326 4.022 1.00 0.00 H new ATOM 0 HG1 THR A 100 -7.564 -11.919 2.907 1.00 0.00 H new ATOM 0 HG21 THR A 100 -7.729 -14.189 5.101 1.00 0.00 H new ATOM 0 HG22 THR A 100 -8.457 -15.363 3.978 1.00 0.00 H new ATOM 0 HG23 THR A 100 -7.013 -14.442 3.491 1.00 0.00 H new TER 1391 THR A 100 ATOM 1392 N THR B 111 -1.448 -14.532 12.182 1.00 0.00 N ATOM 1393 CA THR B 111 -0.905 -13.331 12.805 1.00 0.00 C ATOM 1394 C THR B 111 -1.332 -12.080 12.039 1.00 0.00 C ATOM 1395 O THR B 111 -1.521 -12.122 10.823 1.00 0.00 O ATOM 1396 CB THR B 111 0.621 -13.408 12.869 1.00 0.00 C ATOM 1397 OG1 THR B 111 1.160 -13.731 11.599 1.00 0.00 O ATOM 1398 CG2 THR B 111 1.126 -14.436 13.859 1.00 0.00 C ATOM 0 HA THR B 111 -1.300 -13.268 13.819 1.00 0.00 H new ATOM 0 HB THR B 111 0.948 -12.421 13.196 1.00 0.00 H new ATOM 0 HG1 THR B 111 0.487 -14.209 11.070 1.00 0.00 H new ATOM 0 HG21 THR B 111 2.216 -14.440 13.855 1.00 0.00 H new ATOM 0 HG22 THR B 111 0.767 -14.186 14.858 1.00 0.00 H new ATOM 0 HG23 THR B 111 0.759 -15.423 13.578 1.00 0.00 H new ATOM 1406 N PRO B 112 -1.488 -10.946 12.744 1.00 0.00 N ATOM 1407 CA PRO B 112 -1.893 -9.681 12.122 1.00 0.00 C ATOM 1408 C PRO B 112 -0.797 -9.091 11.244 1.00 0.00 C ATOM 1409 O PRO B 112 0.259 -9.698 11.057 1.00 0.00 O ATOM 1410 CB PRO B 112 -2.169 -8.769 13.320 1.00 0.00 C ATOM 1411 CG PRO B 112 -1.325 -9.321 14.416 1.00 0.00 C ATOM 1412 CD PRO B 112 -1.282 -10.807 14.198 1.00 0.00 C ATOM 0 HA PRO B 112 -2.750 -9.808 11.460 1.00 0.00 H new ATOM 0 HB2 PRO B 112 -1.905 -7.735 13.100 1.00 0.00 H new ATOM 0 HB3 PRO B 112 -3.225 -8.778 13.590 1.00 0.00 H new ATOM 0 HG2 PRO B 112 -0.323 -8.894 14.389 1.00 0.00 H new ATOM 0 HG3 PRO B 112 -1.748 -9.082 15.392 1.00 0.00 H new ATOM 0 HD2 PRO B 112 -0.328 -11.231 14.511 1.00 0.00 H new ATOM 0 HD3 PRO B 112 -2.060 -11.319 14.765 1.00 0.00 H new ATOM 1420 N LEU B 113 -1.052 -7.902 10.705 1.00 0.00 N ATOM 1421 CA LEU B 113 -0.085 -7.228 9.845 1.00 0.00 C ATOM 1422 C LEU B 113 0.225 -5.830 10.369 1.00 0.00 C ATOM 1423 O LEU B 113 -0.554 -5.252 11.128 1.00 0.00 O ATOM 1424 CB LEU B 113 -0.617 -7.145 8.414 1.00 0.00 C ATOM 1425 CG LEU B 113 -1.272 -8.425 7.892 1.00 0.00 C ATOM 1426 CD1 LEU B 113 -2.284 -8.102 6.804 1.00 0.00 C ATOM 1427 CD2 LEU B 113 -0.215 -9.391 7.372 1.00 0.00 C ATOM 0 H LEU B 113 -1.920 -7.386 10.849 1.00 0.00 H new ATOM 0 HA LEU B 113 0.837 -7.809 9.848 1.00 0.00 H new ATOM 0 HB2 LEU B 113 -1.344 -6.335 8.359 1.00 0.00 H new ATOM 0 HB3 LEU B 113 0.207 -6.880 7.751 1.00 0.00 H new ATOM 0 HG LEU B 113 -1.799 -8.904 8.718 1.00 0.00 H new ATOM 0 HD11 LEU B 113 -2.739 -9.025 6.445 1.00 0.00 H new ATOM 0 HD12 LEU B 113 -3.057 -7.449 7.209 1.00 0.00 H new ATOM 0 HD13 LEU B 113 -1.782 -7.600 5.977 1.00 0.00 H new ATOM 0 HD21 LEU B 113 -0.699 -10.296 7.005 1.00 0.00 H new ATOM 0 HD22 LEU B 113 0.340 -8.921 6.560 1.00 0.00 H new ATOM 0 HD23 LEU B 113 0.471 -9.648 8.179 1.00 0.00 H new ATOM 1439 N GLU B 114 1.367 -5.290 9.959 1.00 0.00 N ATOM 1440 CA GLU B 114 1.781 -3.957 10.387 1.00 0.00 C ATOM 1441 C GLU B 114 1.241 -2.888 9.441 1.00 0.00 C ATOM 1442 O GLU B 114 1.065 -3.133 8.248 1.00 0.00 O ATOM 1443 CB GLU B 114 3.307 -3.871 10.455 1.00 0.00 C ATOM 1444 CG GLU B 114 3.897 -4.505 11.705 1.00 0.00 C ATOM 1445 CD GLU B 114 4.531 -3.487 12.631 1.00 0.00 C ATOM 1446 OE1 GLU B 114 5.057 -2.472 12.128 1.00 0.00 O ATOM 1447 OE2 GLU B 114 4.504 -3.705 13.861 1.00 0.00 O ATOM 0 H GLU B 114 2.023 -5.754 9.331 1.00 0.00 H new ATOM 0 HA GLU B 114 1.369 -3.778 11.380 1.00 0.00 H new ATOM 0 HB2 GLU B 114 3.730 -4.358 9.576 1.00 0.00 H new ATOM 0 HB3 GLU B 114 3.606 -2.824 10.413 1.00 0.00 H new ATOM 0 HG2 GLU B 114 3.113 -5.040 12.241 1.00 0.00 H new ATOM 0 HG3 GLU B 114 4.645 -5.243 11.415 1.00 0.00 H new ATOM 1454 N ILE B 115 0.979 -1.704 9.983 1.00 0.00 N ATOM 1455 CA ILE B 115 0.459 -0.597 9.188 1.00 0.00 C ATOM 1456 C ILE B 115 1.192 0.702 9.510 1.00 0.00 C ATOM 1457 O ILE B 115 1.559 0.952 10.659 1.00 0.00 O ATOM 1458 CB ILE B 115 -1.050 -0.395 9.425 1.00 0.00 C ATOM 1459 CG1 ILE B 115 -1.793 -1.725 9.291 1.00 0.00 C ATOM 1460 CG2 ILE B 115 -1.607 0.632 8.450 1.00 0.00 C ATOM 1461 CD1 ILE B 115 -3.187 -1.700 9.879 1.00 0.00 C ATOM 0 H ILE B 115 1.118 -1.486 10.970 1.00 0.00 H new ATOM 0 HA ILE B 115 0.623 -0.854 8.142 1.00 0.00 H new ATOM 0 HB ILE B 115 -1.196 -0.021 10.438 1.00 0.00 H new ATOM 0 HG12 ILE B 115 -1.857 -1.992 8.236 1.00 0.00 H new ATOM 0 HG13 ILE B 115 -1.214 -2.507 9.783 1.00 0.00 H new ATOM 0 HG21 ILE B 115 -2.674 0.763 8.630 1.00 0.00 H new ATOM 0 HG22 ILE B 115 -1.095 1.584 8.592 1.00 0.00 H new ATOM 0 HG23 ILE B 115 -1.452 0.285 7.428 1.00 0.00 H new ATOM 0 HD11 ILE B 115 -3.655 -2.676 9.748 1.00 0.00 H new ATOM 0 HD12 ILE B 115 -3.129 -1.465 10.942 1.00 0.00 H new ATOM 0 HD13 ILE B 115 -3.783 -0.941 9.371 1.00 0.00 H new ATOM 1473 N THR B 116 1.403 1.524 8.487 1.00 0.00 N ATOM 1474 CA THR B 116 2.093 2.798 8.662 1.00 0.00 C ATOM 1475 C THR B 116 1.340 3.924 7.961 1.00 0.00 C ATOM 1476 O THR B 116 0.880 3.767 6.829 1.00 0.00 O ATOM 1477 CB THR B 116 3.519 2.708 8.118 1.00 0.00 C ATOM 1478 OG1 THR B 116 4.232 1.660 8.752 1.00 0.00 O ATOM 1479 CG2 THR B 116 4.312 3.983 8.305 1.00 0.00 C ATOM 0 H THR B 116 1.107 1.332 7.530 1.00 0.00 H new ATOM 0 HA THR B 116 2.132 3.019 9.729 1.00 0.00 H new ATOM 0 HB THR B 116 3.410 2.521 7.050 1.00 0.00 H new ATOM 0 HG1 THR B 116 4.057 0.816 8.285 1.00 0.00 H new ATOM 0 HG21 THR B 116 5.314 3.851 7.897 1.00 0.00 H new ATOM 0 HG22 THR B 116 3.813 4.801 7.785 1.00 0.00 H new ATOM 0 HG23 THR B 116 4.380 4.216 9.368 1.00 0.00 H new ATOM 1487 N GLU B 117 1.218 5.059 8.639 1.00 0.00 N ATOM 1488 CA GLU B 117 0.520 6.213 8.082 1.00 0.00 C ATOM 1489 C GLU B 117 1.476 7.094 7.285 1.00 0.00 C ATOM 1490 O GLU B 117 2.374 7.720 7.848 1.00 0.00 O ATOM 1491 CB GLU B 117 -0.136 7.029 9.197 1.00 0.00 C ATOM 1492 CG GLU B 117 -1.363 6.360 9.797 1.00 0.00 C ATOM 1493 CD GLU B 117 -1.510 6.638 11.280 1.00 0.00 C ATOM 1494 OE1 GLU B 117 -0.474 6.767 11.965 1.00 0.00 O ATOM 1495 OE2 GLU B 117 -2.662 6.724 11.756 1.00 0.00 O ATOM 0 H GLU B 117 1.593 5.206 9.576 1.00 0.00 H new ATOM 0 HA GLU B 117 -0.255 5.846 7.409 1.00 0.00 H new ATOM 0 HB2 GLU B 117 0.595 7.204 9.986 1.00 0.00 H new ATOM 0 HB3 GLU B 117 -0.420 8.005 8.803 1.00 0.00 H new ATOM 0 HG2 GLU B 117 -2.254 6.709 9.275 1.00 0.00 H new ATOM 0 HG3 GLU B 117 -1.301 5.284 9.637 1.00 0.00 H new ATOM 1502 N LEU B 118 1.277 7.140 5.971 1.00 0.00 N ATOM 1503 CA LEU B 118 2.121 7.946 5.098 1.00 0.00 C ATOM 1504 C LEU B 118 1.409 9.229 4.685 1.00 0.00 C ATOM 1505 O LEU B 118 2.097 10.167 4.230 1.00 0.00 O ATOM 1506 CB LEU B 118 2.514 7.146 3.854 1.00 0.00 C ATOM 1507 CG LEU B 118 2.863 5.678 4.110 1.00 0.00 C ATOM 1508 CD1 LEU B 118 2.677 4.856 2.845 1.00 0.00 C ATOM 1509 CD2 LEU B 118 4.290 5.553 4.623 1.00 0.00 C ATOM 1510 OXT LEU B 118 0.168 9.286 4.822 1.00 0.00 O ATOM 0 H LEU B 118 0.538 6.628 5.488 1.00 0.00 H new ATOM 0 HA LEU B 118 3.022 8.213 5.651 1.00 0.00 H new ATOM 0 HB2 LEU B 118 1.692 7.189 3.139 1.00 0.00 H new ATOM 0 HB3 LEU B 118 3.370 7.631 3.385 1.00 0.00 H new ATOM 0 HG LEU B 118 2.187 5.291 4.872 1.00 0.00 H new ATOM 0 HD11 LEU B 118 2.930 3.815 3.047 1.00 0.00 H new ATOM 0 HD12 LEU B 118 1.639 4.920 2.519 1.00 0.00 H new ATOM 0 HD13 LEU B 118 3.328 5.242 2.061 1.00 0.00 H new ATOM 0 HD21 LEU B 118 4.522 4.503 4.800 1.00 0.00 H new ATOM 0 HD22 LEU B 118 4.980 5.957 3.882 1.00 0.00 H new ATOM 0 HD23 LEU B 118 4.392 6.109 5.555 1.00 0.00 H new TER 1522 LEU B 118