USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 864 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 19 CYS SG : rot 47:sc= -3.31! USER MOD Set 1.2: A 51 THR OG1 : rot -119:sc= 1.48 USER MOD Single : A 1 GLY N :NH3+ -145:sc= 0.0238 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 51:sc= 0.733 USER MOD Single : A 6 SER OG : rot 54:sc= 0.776 USER MOD Single : A 8 LYS NZ :NH3+ 162:sc= 0.00423 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.0213 K(o=-0.021,f=-0.56) USER MOD Single : A 21 MET CE :methyl 162:sc= -1.17 (180deg=-1.67) USER MOD Single : A 22 SER OG : rot 180:sc= -0.148 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.142 K(o=-0.14,f=-4.4!) USER MOD Single : A 29 LYS NZ :NH3+ -132:sc= 0.402 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.0432 K(o=-0.043,f=-1.2!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.439 X(o=-0.44,f=-0.3) USER MOD Single : A 46 ASN : amide:sc= -0.0776 K(o=-0.078,f=-1.6!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 CYS SG : rot 180:sc= -0.058 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -2.52! C(o=-2.5!,f=-2.3!) USER MOD Single : A 64 LYS NZ :NH3+ 152:sc= -0.114 (180deg=-0.609) USER MOD Single : A 65 ASN : amide:sc= 0.347 X(o=0.35,f=-0.028) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.0549 K(o=-0.055,f=1.2) USER MOD Single : A 71 LYS NZ :NH3+ -142:sc= 0.679 (180deg=0.0812) USER MOD Single : A 72 HIS : no HD1:sc= -6.76! C(o=-6.8!,f=-6.8!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 CYS SG : rot 51:sc= -3.55! USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -74:sc= 1.23 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.933 K(o=-0.93,f=-4.3) USER MOD Single : A 97 MET CE :methyl -175:sc= -0.556 (180deg=-0.619) USER MOD Single : A 99 HIS : no HD1:sc= -1.56 K(o=-1.6,f=-0.82) USER MOD Single : A 100 MET CE :methyl -103:sc= 0 (180deg=-0.637) USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS : no HD1:sc= -2.23 X(o=-2.2,f=-2.3) USER MOD Single : A 112 TYR OH : rot 180:sc= -0.773 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.452 13.065 -17.380 1.00 0.00 N ATOM 2 CA GLY A 1 -14.640 12.501 -16.318 1.00 0.00 C ATOM 3 C GLY A 1 -15.140 12.885 -14.940 1.00 0.00 C ATOM 4 O GLY A 1 -16.342 13.051 -14.733 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.502 12.394 -18.173 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.411 13.250 -17.023 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.026 13.956 -17.707 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.632 11.415 -16.409 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.610 12.838 -16.434 1.00 0.00 H new ATOM 8 N SER A 2 -14.217 13.024 -13.994 1.00 0.00 N ATOM 9 CA SER A 2 -14.572 13.385 -12.626 1.00 0.00 C ATOM 10 C SER A 2 -14.411 14.885 -12.402 1.00 0.00 C ATOM 11 O SER A 2 -13.295 15.404 -12.376 1.00 0.00 O ATOM 12 CB SER A 2 -13.704 12.613 -11.631 1.00 0.00 C ATOM 13 OG SER A 2 -14.101 11.254 -11.555 1.00 0.00 O ATOM 0 H SER A 2 -13.218 12.892 -14.149 1.00 0.00 H new ATOM 0 HA SER A 2 -15.617 13.121 -12.466 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.658 12.673 -11.933 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.779 13.073 -10.645 1.00 0.00 H new ATOM 0 HG SER A 2 -13.530 10.782 -10.914 1.00 0.00 H new ATOM 19 N SER A 3 -15.534 15.577 -12.239 1.00 0.00 N ATOM 20 CA SER A 3 -15.519 17.019 -12.020 1.00 0.00 C ATOM 21 C SER A 3 -16.269 17.382 -10.742 1.00 0.00 C ATOM 22 O SER A 3 -17.497 17.448 -10.726 1.00 0.00 O ATOM 23 CB SER A 3 -16.143 17.744 -13.214 1.00 0.00 C ATOM 24 OG SER A 3 -15.561 17.315 -14.433 1.00 0.00 O ATOM 0 H SER A 3 -16.466 15.163 -12.254 1.00 0.00 H new ATOM 0 HA SER A 3 -14.481 17.335 -11.914 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.217 17.559 -13.235 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.007 18.820 -13.102 1.00 0.00 H new ATOM 0 HG SER A 3 -15.978 17.792 -15.180 1.00 0.00 H new ATOM 30 N GLY A 4 -15.518 17.616 -9.669 1.00 0.00 N ATOM 31 CA GLY A 4 -16.127 17.969 -8.400 1.00 0.00 C ATOM 32 C GLY A 4 -15.246 18.878 -7.567 1.00 0.00 C ATOM 33 O GLY A 4 -14.377 19.569 -8.098 1.00 0.00 O ATOM 0 H GLY A 4 -14.499 17.567 -9.657 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.082 18.462 -8.583 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.340 17.060 -7.838 1.00 0.00 H new ATOM 37 N SER A 5 -15.470 18.879 -6.257 1.00 0.00 N ATOM 38 CA SER A 5 -14.693 19.714 -5.349 1.00 0.00 C ATOM 39 C SER A 5 -13.207 19.646 -5.686 1.00 0.00 C ATOM 40 O SER A 5 -12.498 18.744 -5.240 1.00 0.00 O ATOM 41 CB SER A 5 -14.919 19.276 -3.900 1.00 0.00 C ATOM 42 OG SER A 5 -14.565 17.916 -3.718 1.00 0.00 O ATOM 0 H SER A 5 -16.184 18.311 -5.801 1.00 0.00 H new ATOM 0 HA SER A 5 -15.028 20.745 -5.466 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.328 19.902 -3.231 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.965 19.422 -3.631 1.00 0.00 H new ATOM 0 HG SER A 5 -13.665 17.762 -4.075 1.00 0.00 H new ATOM 48 N SER A 6 -12.742 20.608 -6.478 1.00 0.00 N ATOM 49 CA SER A 6 -11.341 20.657 -6.880 1.00 0.00 C ATOM 50 C SER A 6 -10.490 21.324 -5.803 1.00 0.00 C ATOM 51 O SER A 6 -10.130 22.495 -5.918 1.00 0.00 O ATOM 52 CB SER A 6 -11.194 21.411 -8.202 1.00 0.00 C ATOM 53 OG SER A 6 -11.647 22.748 -8.080 1.00 0.00 O ATOM 0 H SER A 6 -13.315 21.364 -6.854 1.00 0.00 H new ATOM 0 HA SER A 6 -10.991 19.633 -7.013 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.149 21.405 -8.514 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.762 20.901 -8.980 1.00 0.00 H new ATOM 0 HG SER A 6 -11.189 23.181 -7.330 1.00 0.00 H new ATOM 59 N GLY A 7 -10.173 20.569 -4.756 1.00 0.00 N ATOM 60 CA GLY A 7 -9.368 21.103 -3.673 1.00 0.00 C ATOM 61 C GLY A 7 -8.358 20.100 -3.152 1.00 0.00 C ATOM 62 O GLY A 7 -8.140 19.996 -1.945 1.00 0.00 O ATOM 0 H GLY A 7 -10.459 19.597 -4.638 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.845 21.995 -4.019 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.021 21.413 -2.857 1.00 0.00 H new ATOM 66 N LYS A 8 -7.741 19.356 -4.064 1.00 0.00 N ATOM 67 CA LYS A 8 -6.749 18.354 -3.692 1.00 0.00 C ATOM 68 C LYS A 8 -5.837 18.877 -2.586 1.00 0.00 C ATOM 69 O LYS A 8 -5.195 19.917 -2.738 1.00 0.00 O ATOM 70 CB LYS A 8 -5.914 17.956 -4.911 1.00 0.00 C ATOM 71 CG LYS A 8 -6.527 16.831 -5.726 1.00 0.00 C ATOM 72 CD LYS A 8 -6.151 16.937 -7.195 1.00 0.00 C ATOM 73 CE LYS A 8 -7.100 16.137 -8.073 1.00 0.00 C ATOM 74 NZ LYS A 8 -6.831 14.675 -7.991 1.00 0.00 N ATOM 0 H LYS A 8 -7.911 19.428 -5.067 1.00 0.00 H new ATOM 0 HA LYS A 8 -7.277 17.476 -3.319 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.783 18.828 -5.552 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.921 17.653 -4.578 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.192 15.871 -5.332 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -7.612 16.856 -5.624 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.166 17.983 -7.501 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.132 16.578 -7.338 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -8.128 16.335 -7.771 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.003 16.467 -9.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.657 14.150 -8.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.001 14.442 -8.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.647 14.411 -7.002 1.00 0.00 H new ATOM 88 N ILE A 9 -5.783 18.149 -1.476 1.00 0.00 N ATOM 89 CA ILE A 9 -4.947 18.538 -0.347 1.00 0.00 C ATOM 90 C ILE A 9 -3.535 18.887 -0.804 1.00 0.00 C ATOM 91 O ILE A 9 -2.964 19.891 -0.377 1.00 0.00 O ATOM 92 CB ILE A 9 -4.872 17.421 0.709 1.00 0.00 C ATOM 93 CG1 ILE A 9 -6.267 17.110 1.255 1.00 0.00 C ATOM 94 CG2 ILE A 9 -3.933 17.821 1.838 1.00 0.00 C ATOM 95 CD1 ILE A 9 -7.029 16.099 0.426 1.00 0.00 C ATOM 0 H ILE A 9 -6.308 17.286 -1.334 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.409 19.418 0.100 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.478 16.521 0.236 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -6.174 16.736 2.275 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -6.843 18.034 1.306 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.891 17.021 2.577 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.935 17.997 1.436 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.300 18.732 2.311 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.009 15.927 0.872 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.153 16.479 -0.588 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.474 15.161 0.396 1.00 0.00 H new ATOM 107 N SER A 10 -2.977 18.053 -1.675 1.00 0.00 N ATOM 108 CA SER A 10 -1.630 18.272 -2.189 1.00 0.00 C ATOM 109 C SER A 10 -1.367 17.398 -3.412 1.00 0.00 C ATOM 110 O SER A 10 -2.152 16.507 -3.732 1.00 0.00 O ATOM 111 CB SER A 10 -0.593 17.975 -1.103 1.00 0.00 C ATOM 112 OG SER A 10 0.589 18.729 -1.308 1.00 0.00 O ATOM 0 H SER A 10 -3.437 17.219 -2.040 1.00 0.00 H new ATOM 0 HA SER A 10 -1.546 19.317 -2.486 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.011 18.207 -0.123 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.355 16.911 -1.104 1.00 0.00 H new ATOM 0 HG SER A 10 1.235 18.523 -0.601 1.00 0.00 H new ATOM 118 N ASN A 11 -0.255 17.662 -4.091 1.00 0.00 N ATOM 119 CA ASN A 11 0.113 16.901 -5.279 1.00 0.00 C ATOM 120 C ASN A 11 1.430 16.161 -5.065 1.00 0.00 C ATOM 121 O ASN A 11 2.257 16.069 -5.973 1.00 0.00 O ATOM 122 CB ASN A 11 0.229 17.831 -6.489 1.00 0.00 C ATOM 123 CG ASN A 11 -0.799 18.945 -6.463 1.00 0.00 C ATOM 124 OD1 ASN A 11 -1.963 18.724 -6.127 1.00 0.00 O ATOM 125 ND2 ASN A 11 -0.372 20.152 -6.818 1.00 0.00 N ATOM 0 H ASN A 11 0.406 18.397 -3.839 1.00 0.00 H new ATOM 0 HA ASN A 11 -0.670 16.166 -5.467 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.229 18.264 -6.516 1.00 0.00 H new ATOM 0 HB3 ASN A 11 0.108 17.250 -7.403 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -1.018 20.941 -6.819 1.00 0.00 H new ATOM 0 HD22 ASN A 11 0.602 20.289 -7.089 1.00 0.00 H new ATOM 132 N ILE A 12 1.617 15.634 -3.860 1.00 0.00 N ATOM 133 CA ILE A 12 2.831 14.901 -3.527 1.00 0.00 C ATOM 134 C ILE A 12 2.914 13.592 -4.305 1.00 0.00 C ATOM 135 O ILE A 12 3.996 13.161 -4.703 1.00 0.00 O ATOM 136 CB ILE A 12 2.909 14.594 -2.020 1.00 0.00 C ATOM 137 CG1 ILE A 12 1.626 13.904 -1.551 1.00 0.00 C ATOM 138 CG2 ILE A 12 3.148 15.873 -1.231 1.00 0.00 C ATOM 139 CD1 ILE A 12 1.663 13.483 -0.098 1.00 0.00 C ATOM 0 H ILE A 12 0.943 15.701 -3.098 1.00 0.00 H new ATOM 0 HA ILE A 12 3.670 15.540 -3.803 1.00 0.00 H new ATOM 0 HB ILE A 12 3.747 13.920 -1.844 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.783 14.578 -1.704 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.448 13.025 -2.171 1.00 0.00 H new ATOM 0 HG21 ILE A 12 3.201 15.640 -0.168 1.00 0.00 H new ATOM 0 HG22 ILE A 12 4.086 16.327 -1.550 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.329 16.569 -1.410 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.721 13.001 0.165 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.485 12.784 0.057 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.810 14.361 0.531 1.00 0.00 H new ATOM 151 N PHE A 13 1.762 12.965 -4.521 1.00 0.00 N ATOM 152 CA PHE A 13 1.703 11.705 -5.253 1.00 0.00 C ATOM 153 C PHE A 13 1.544 11.953 -6.750 1.00 0.00 C ATOM 154 O PHE A 13 1.131 11.066 -7.496 1.00 0.00 O ATOM 155 CB PHE A 13 0.545 10.846 -4.741 1.00 0.00 C ATOM 156 CG PHE A 13 0.583 10.612 -3.258 1.00 0.00 C ATOM 157 CD1 PHE A 13 1.774 10.716 -2.557 1.00 0.00 C ATOM 158 CD2 PHE A 13 -0.572 10.287 -2.565 1.00 0.00 C ATOM 159 CE1 PHE A 13 1.812 10.501 -1.192 1.00 0.00 C ATOM 160 CE2 PHE A 13 -0.540 10.072 -1.200 1.00 0.00 C ATOM 161 CZ PHE A 13 0.654 10.177 -0.513 1.00 0.00 C ATOM 0 H PHE A 13 0.857 13.309 -4.200 1.00 0.00 H new ATOM 0 HA PHE A 13 2.640 11.174 -5.088 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.397 11.328 -5.001 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.562 9.884 -5.253 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.683 10.968 -3.083 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.508 10.201 -3.097 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.746 10.586 -0.657 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.448 9.822 -0.671 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.682 10.006 0.553 1.00 0.00 H new ATOM 171 N GLU A 14 1.874 13.167 -7.182 1.00 0.00 N ATOM 172 CA GLU A 14 1.766 13.532 -8.589 1.00 0.00 C ATOM 173 C GLU A 14 2.438 12.487 -9.476 1.00 0.00 C ATOM 174 O GLU A 14 3.606 12.150 -9.281 1.00 0.00 O ATOM 175 CB GLU A 14 2.397 14.904 -8.833 1.00 0.00 C ATOM 176 CG GLU A 14 2.132 15.458 -10.222 1.00 0.00 C ATOM 177 CD GLU A 14 3.016 16.644 -10.556 1.00 0.00 C ATOM 178 OE1 GLU A 14 4.234 16.570 -10.289 1.00 0.00 O ATOM 179 OE2 GLU A 14 2.491 17.646 -11.084 1.00 0.00 O ATOM 0 H GLU A 14 2.218 13.913 -6.578 1.00 0.00 H new ATOM 0 HA GLU A 14 0.708 13.575 -8.846 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.016 15.607 -8.092 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.474 14.832 -8.679 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.292 14.671 -10.959 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.086 15.757 -10.296 1.00 0.00 H new ATOM 186 N ASP A 15 1.691 11.978 -10.449 1.00 0.00 N ATOM 187 CA ASP A 15 2.213 10.971 -11.366 1.00 0.00 C ATOM 188 C ASP A 15 2.643 9.718 -10.610 1.00 0.00 C ATOM 189 O ASP A 15 3.677 9.122 -10.912 1.00 0.00 O ATOM 190 CB ASP A 15 3.395 11.535 -12.157 1.00 0.00 C ATOM 191 CG ASP A 15 2.962 12.537 -13.209 1.00 0.00 C ATOM 192 OD1 ASP A 15 1.954 13.239 -12.981 1.00 0.00 O ATOM 193 OD2 ASP A 15 3.631 12.620 -14.260 1.00 0.00 O ATOM 0 H ASP A 15 0.722 12.246 -10.623 1.00 0.00 H new ATOM 0 HA ASP A 15 1.417 10.700 -12.060 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.093 12.013 -11.470 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.931 10.716 -12.638 1.00 0.00 H new ATOM 198 N VAL A 16 1.842 9.323 -9.626 1.00 0.00 N ATOM 199 CA VAL A 16 2.138 8.140 -8.827 1.00 0.00 C ATOM 200 C VAL A 16 0.907 7.254 -8.678 1.00 0.00 C ATOM 201 O VAL A 16 -0.128 7.692 -8.178 1.00 0.00 O ATOM 202 CB VAL A 16 2.653 8.524 -7.427 1.00 0.00 C ATOM 203 CG1 VAL A 16 2.988 7.278 -6.621 1.00 0.00 C ATOM 204 CG2 VAL A 16 3.864 9.438 -7.537 1.00 0.00 C ATOM 0 H VAL A 16 0.983 9.805 -9.363 1.00 0.00 H new ATOM 0 HA VAL A 16 2.916 7.589 -9.355 1.00 0.00 H new ATOM 0 HB VAL A 16 1.864 9.065 -6.905 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.350 7.569 -5.635 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.094 6.664 -6.513 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.760 6.707 -7.137 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.215 9.699 -6.539 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.659 8.925 -8.078 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.587 10.346 -8.073 1.00 0.00 H new ATOM 214 N GLU A 17 1.027 6.004 -9.115 1.00 0.00 N ATOM 215 CA GLU A 17 -0.077 5.056 -9.030 1.00 0.00 C ATOM 216 C GLU A 17 -0.034 4.286 -7.714 1.00 0.00 C ATOM 217 O GLU A 17 1.007 4.211 -7.060 1.00 0.00 O ATOM 218 CB GLU A 17 -0.031 4.079 -10.207 1.00 0.00 C ATOM 219 CG GLU A 17 -1.217 3.130 -10.257 1.00 0.00 C ATOM 220 CD GLU A 17 -1.543 2.677 -11.667 1.00 0.00 C ATOM 221 OE1 GLU A 17 -1.768 3.548 -12.533 1.00 0.00 O ATOM 222 OE2 GLU A 17 -1.573 1.451 -11.904 1.00 0.00 O ATOM 0 H GLU A 17 1.878 5.625 -9.531 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.009 5.619 -9.070 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.010 4.646 -11.137 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.888 3.496 -10.149 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.006 2.257 -9.639 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.089 3.622 -9.827 1.00 0.00 H new ATOM 229 N PHE A 18 -1.171 3.716 -7.331 1.00 0.00 N ATOM 230 CA PHE A 18 -1.265 2.952 -6.092 1.00 0.00 C ATOM 231 C PHE A 18 -2.240 1.789 -6.242 1.00 0.00 C ATOM 232 O PHE A 18 -3.199 1.864 -7.011 1.00 0.00 O ATOM 233 CB PHE A 18 -1.708 3.859 -4.942 1.00 0.00 C ATOM 234 CG PHE A 18 -0.804 5.039 -4.726 1.00 0.00 C ATOM 235 CD1 PHE A 18 -0.966 6.198 -5.469 1.00 0.00 C ATOM 236 CD2 PHE A 18 0.209 4.990 -3.782 1.00 0.00 C ATOM 237 CE1 PHE A 18 -0.136 7.286 -5.273 1.00 0.00 C ATOM 238 CE2 PHE A 18 1.042 6.075 -3.582 1.00 0.00 C ATOM 239 CZ PHE A 18 0.869 7.224 -4.329 1.00 0.00 C ATOM 0 H PHE A 18 -2.041 3.768 -7.861 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.278 2.548 -5.868 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -2.718 4.217 -5.141 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -1.752 3.273 -4.024 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.750 6.252 -6.210 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.349 4.094 -3.196 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.274 8.183 -5.858 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.827 6.024 -2.842 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.519 8.072 -4.175 1.00 0.00 H new ATOM 249 N CYS A 19 -1.988 0.715 -5.502 1.00 0.00 N ATOM 250 CA CYS A 19 -2.843 -0.466 -5.553 1.00 0.00 C ATOM 251 C CYS A 19 -3.145 -0.980 -4.149 1.00 0.00 C ATOM 252 O CYS A 19 -2.325 -1.668 -3.539 1.00 0.00 O ATOM 253 CB CYS A 19 -2.179 -1.567 -6.381 1.00 0.00 C ATOM 254 SG CYS A 19 -1.836 -1.098 -8.093 1.00 0.00 S ATOM 0 H CYS A 19 -1.199 0.637 -4.860 1.00 0.00 H new ATOM 0 HA CYS A 19 -3.783 -0.183 -6.026 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -1.244 -1.855 -5.900 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -2.823 -2.447 -6.379 1.00 0.00 H new ATOM 0 HG CYS A 19 -1.275 0.074 -8.118 1.00 0.00 H new ATOM 260 N VAL A 20 -4.325 -0.641 -3.641 1.00 0.00 N ATOM 261 CA VAL A 20 -4.735 -1.067 -2.308 1.00 0.00 C ATOM 262 C VAL A 20 -5.378 -2.449 -2.347 1.00 0.00 C ATOM 263 O VAL A 20 -6.317 -2.686 -3.106 1.00 0.00 O ATOM 264 CB VAL A 20 -5.725 -0.070 -1.679 1.00 0.00 C ATOM 265 CG1 VAL A 20 -6.234 -0.592 -0.344 1.00 0.00 C ATOM 266 CG2 VAL A 20 -5.073 1.295 -1.513 1.00 0.00 C ATOM 0 H VAL A 20 -5.015 -0.072 -4.132 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.833 -1.105 -1.697 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.578 0.039 -2.348 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.932 0.126 0.085 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.741 -1.545 -0.495 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.394 -0.732 0.336 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.787 1.987 -1.067 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.201 1.205 -0.865 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.763 1.671 -2.488 1.00 0.00 H new ATOM 276 N MET A 21 -4.866 -3.357 -1.523 1.00 0.00 N ATOM 277 CA MET A 21 -5.392 -4.716 -1.462 1.00 0.00 C ATOM 278 C MET A 21 -6.343 -4.878 -0.280 1.00 0.00 C ATOM 279 O MET A 21 -7.323 -5.619 -0.357 1.00 0.00 O ATOM 280 CB MET A 21 -4.247 -5.725 -1.352 1.00 0.00 C ATOM 281 CG MET A 21 -3.548 -5.997 -2.674 1.00 0.00 C ATOM 282 SD MET A 21 -3.363 -4.512 -3.680 1.00 0.00 S ATOM 283 CE MET A 21 -3.667 -5.172 -5.317 1.00 0.00 C ATOM 0 H MET A 21 -4.088 -3.177 -0.889 1.00 0.00 H new ATOM 0 HA MET A 21 -5.947 -4.906 -2.381 1.00 0.00 H new ATOM 0 HB2 MET A 21 -3.516 -5.356 -0.633 1.00 0.00 H new ATOM 0 HB3 MET A 21 -4.637 -6.663 -0.957 1.00 0.00 H new ATOM 0 HG2 MET A 21 -2.564 -6.424 -2.479 1.00 0.00 H new ATOM 0 HG3 MET A 21 -4.114 -6.742 -3.233 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.905 -4.356 -6.000 1.00 0.00 H new ATOM 0 HE2 MET A 21 -2.777 -5.693 -5.670 1.00 0.00 H new ATOM 0 HE3 MET A 21 -4.504 -5.869 -5.279 1.00 0.00 H new ATOM 293 N SER A 22 -6.048 -4.180 0.812 1.00 0.00 N ATOM 294 CA SER A 22 -6.874 -4.250 2.011 1.00 0.00 C ATOM 295 C SER A 22 -6.485 -3.159 3.004 1.00 0.00 C ATOM 296 O SER A 22 -5.390 -2.603 2.934 1.00 0.00 O ATOM 297 CB SER A 22 -6.741 -5.625 2.669 1.00 0.00 C ATOM 298 OG SER A 22 -7.386 -5.652 3.930 1.00 0.00 O ATOM 0 H SER A 22 -5.243 -3.559 0.891 1.00 0.00 H new ATOM 0 HA SER A 22 -7.912 -4.095 1.716 1.00 0.00 H new ATOM 0 HB2 SER A 22 -7.174 -6.386 2.019 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.687 -5.873 2.791 1.00 0.00 H new ATOM 0 HG SER A 22 -7.288 -6.542 4.329 1.00 0.00 H new ATOM 304 N GLY A 23 -7.392 -2.858 3.928 1.00 0.00 N ATOM 305 CA GLY A 23 -7.126 -1.835 4.923 1.00 0.00 C ATOM 306 C GLY A 23 -7.125 -2.385 6.335 1.00 0.00 C ATOM 307 O GLY A 23 -6.972 -3.590 6.541 1.00 0.00 O ATOM 0 H GLY A 23 -8.306 -3.304 4.006 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.161 -1.373 4.716 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.878 -1.050 4.843 1.00 0.00 H new ATOM 311 N THR A 24 -7.293 -1.501 7.313 1.00 0.00 N ATOM 312 CA THR A 24 -7.308 -1.904 8.714 1.00 0.00 C ATOM 313 C THR A 24 -8.609 -1.490 9.392 1.00 0.00 C ATOM 314 O THR A 24 -9.489 -0.905 8.761 1.00 0.00 O ATOM 315 CB THR A 24 -6.123 -1.295 9.486 1.00 0.00 C ATOM 316 OG1 THR A 24 -6.048 0.113 9.238 1.00 0.00 O ATOM 317 CG2 THR A 24 -4.814 -1.956 9.080 1.00 0.00 C ATOM 0 H THR A 24 -7.421 -0.501 7.161 1.00 0.00 H new ATOM 0 HA THR A 24 -7.223 -2.991 8.731 1.00 0.00 H new ATOM 0 HB THR A 24 -6.285 -1.469 10.550 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.293 0.493 9.734 1.00 0.00 H new ATOM 0 HG21 THR A 24 -3.992 -1.509 9.639 1.00 0.00 H new ATOM 0 HG22 THR A 24 -4.862 -3.023 9.297 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.649 -1.810 8.013 1.00 0.00 H new ATOM 325 N ASP A 25 -8.723 -1.796 10.679 1.00 0.00 N ATOM 326 CA ASP A 25 -9.917 -1.454 11.444 1.00 0.00 C ATOM 327 C ASP A 25 -10.166 0.051 11.417 1.00 0.00 C ATOM 328 O ASP A 25 -11.165 0.515 10.868 1.00 0.00 O ATOM 329 CB ASP A 25 -9.778 -1.935 12.889 1.00 0.00 C ATOM 330 CG ASP A 25 -9.797 -3.447 13.001 1.00 0.00 C ATOM 331 OD1 ASP A 25 -8.726 -4.067 12.836 1.00 0.00 O ATOM 332 OD2 ASP A 25 -10.883 -4.010 13.252 1.00 0.00 O ATOM 0 H ASP A 25 -8.003 -2.280 11.215 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.769 -1.954 10.984 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -8.846 -1.554 13.307 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -10.589 -1.519 13.487 1.00 0.00 H new ATOM 337 N SER A 26 -9.251 0.808 12.015 1.00 0.00 N ATOM 338 CA SER A 26 -9.374 2.260 12.064 1.00 0.00 C ATOM 339 C SER A 26 -9.713 2.823 10.687 1.00 0.00 C ATOM 340 O SER A 26 -10.617 3.647 10.548 1.00 0.00 O ATOM 341 CB SER A 26 -8.076 2.886 12.579 1.00 0.00 C ATOM 342 OG SER A 26 -7.673 2.292 13.800 1.00 0.00 O ATOM 0 H SER A 26 -8.417 0.440 12.472 1.00 0.00 H new ATOM 0 HA SER A 26 -10.185 2.509 12.749 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.289 2.764 11.834 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.217 3.957 12.721 1.00 0.00 H new ATOM 0 HG SER A 26 -6.841 2.708 14.107 1.00 0.00 H new ATOM 348 N GLN A 27 -8.981 2.372 9.674 1.00 0.00 N ATOM 349 CA GLN A 27 -9.203 2.832 8.308 1.00 0.00 C ATOM 350 C GLN A 27 -9.494 1.657 7.379 1.00 0.00 C ATOM 351 O GLN A 27 -8.682 0.745 7.220 1.00 0.00 O ATOM 352 CB GLN A 27 -7.984 3.606 7.804 1.00 0.00 C ATOM 353 CG GLN A 27 -7.417 4.580 8.824 1.00 0.00 C ATOM 354 CD GLN A 27 -8.343 5.751 9.091 1.00 0.00 C ATOM 355 OE1 GLN A 27 -9.322 5.958 8.374 1.00 0.00 O ATOM 356 NE2 GLN A 27 -8.037 6.524 10.126 1.00 0.00 N ATOM 0 H GLN A 27 -8.230 1.689 9.773 1.00 0.00 H new ATOM 0 HA GLN A 27 -10.069 3.494 8.310 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.206 2.897 7.519 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.260 4.155 6.904 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.227 4.052 9.758 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.457 4.955 8.468 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.216 6.315 10.693 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -8.623 7.327 10.354 1.00 0.00 H new ATOM 365 N PRO A 28 -10.679 1.678 6.752 1.00 0.00 N ATOM 366 CA PRO A 28 -11.104 0.622 5.828 1.00 0.00 C ATOM 367 C PRO A 28 -10.305 0.632 4.529 1.00 0.00 C ATOM 368 O PRO A 28 -9.634 1.613 4.208 1.00 0.00 O ATOM 369 CB PRO A 28 -12.572 0.959 5.555 1.00 0.00 C ATOM 370 CG PRO A 28 -12.675 2.426 5.797 1.00 0.00 C ATOM 371 CD PRO A 28 -11.695 2.734 6.895 1.00 0.00 C ATOM 0 HA PRO A 28 -10.952 -0.372 6.248 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.853 0.706 4.533 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -13.236 0.401 6.216 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.438 2.988 4.894 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -13.688 2.703 6.089 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.261 3.727 6.779 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.169 2.705 7.876 1.00 0.00 H new ATOM 379 N LYS A 29 -10.382 -0.465 3.784 1.00 0.00 N ATOM 380 CA LYS A 29 -9.667 -0.583 2.518 1.00 0.00 C ATOM 381 C LYS A 29 -9.882 0.656 1.655 1.00 0.00 C ATOM 382 O LYS A 29 -8.937 1.347 1.273 1.00 0.00 O ATOM 383 CB LYS A 29 -10.130 -1.831 1.762 1.00 0.00 C ATOM 384 CG LYS A 29 -10.070 -1.684 0.252 1.00 0.00 C ATOM 385 CD LYS A 29 -10.067 -3.037 -0.440 1.00 0.00 C ATOM 386 CE LYS A 29 -9.436 -2.955 -1.822 1.00 0.00 C ATOM 387 NZ LYS A 29 -10.335 -2.287 -2.803 1.00 0.00 N ATOM 0 H LYS A 29 -10.933 -1.286 4.035 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.603 -0.672 2.737 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.511 -2.677 2.061 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.153 -2.065 2.056 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.924 -1.100 -0.092 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.173 -1.130 -0.025 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.520 -3.757 0.169 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -11.089 -3.405 -0.527 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.495 -2.408 -1.760 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.198 -3.959 -2.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.385 -2.856 -3.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.287 -2.195 -2.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.962 -1.343 -3.029 1.00 0.00 H new ATOM 401 N PRO A 30 -11.153 0.946 1.341 1.00 0.00 N ATOM 402 CA PRO A 30 -11.521 2.104 0.521 1.00 0.00 C ATOM 403 C PRO A 30 -11.297 3.425 1.250 1.00 0.00 C ATOM 404 O PRO A 30 -11.798 4.469 0.831 1.00 0.00 O ATOM 405 CB PRO A 30 -13.013 1.889 0.252 1.00 0.00 C ATOM 406 CG PRO A 30 -13.486 1.052 1.390 1.00 0.00 C ATOM 407 CD PRO A 30 -12.329 0.167 1.762 1.00 0.00 C ATOM 0 HA PRO A 30 -10.916 2.172 -0.383 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -13.548 2.838 0.209 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -13.175 1.388 -0.702 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.788 1.674 2.233 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.355 0.459 1.104 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.311 -0.042 2.832 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.378 -0.794 1.251 1.00 0.00 H new ATOM 415 N ASP A 31 -10.541 3.372 2.341 1.00 0.00 N ATOM 416 CA ASP A 31 -10.248 4.565 3.127 1.00 0.00 C ATOM 417 C ASP A 31 -9.157 5.400 2.463 1.00 0.00 C ATOM 418 O ASP A 31 -9.311 6.608 2.278 1.00 0.00 O ATOM 419 CB ASP A 31 -9.820 4.177 4.543 1.00 0.00 C ATOM 420 CG ASP A 31 -9.774 5.367 5.481 1.00 0.00 C ATOM 421 OD1 ASP A 31 -10.836 5.737 6.021 1.00 0.00 O ATOM 422 OD2 ASP A 31 -8.675 5.929 5.673 1.00 0.00 O ATOM 0 H ASP A 31 -10.120 2.516 2.701 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.156 5.165 3.182 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -10.513 3.434 4.938 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.836 3.709 4.507 1.00 0.00 H new ATOM 427 N LEU A 32 -8.056 4.748 2.107 1.00 0.00 N ATOM 428 CA LEU A 32 -6.938 5.430 1.464 1.00 0.00 C ATOM 429 C LEU A 32 -7.265 5.764 0.013 1.00 0.00 C ATOM 430 O LEU A 32 -6.926 6.841 -0.478 1.00 0.00 O ATOM 431 CB LEU A 32 -5.680 4.561 1.528 1.00 0.00 C ATOM 432 CG LEU A 32 -5.452 3.805 2.838 1.00 0.00 C ATOM 433 CD1 LEU A 32 -4.744 2.485 2.576 1.00 0.00 C ATOM 434 CD2 LEU A 32 -4.653 4.657 3.813 1.00 0.00 C ATOM 0 H LEU A 32 -7.913 3.749 2.252 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.757 6.362 2.000 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.722 3.835 0.716 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.814 5.196 1.343 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.423 3.590 3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.590 1.961 3.519 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.354 1.870 1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.779 2.677 2.106 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.500 4.103 4.739 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.686 4.903 3.374 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.199 5.576 4.025 1.00 0.00 H new ATOM 446 N GLU A 33 -7.929 4.835 -0.668 1.00 0.00 N ATOM 447 CA GLU A 33 -8.303 5.033 -2.064 1.00 0.00 C ATOM 448 C GLU A 33 -8.816 6.451 -2.293 1.00 0.00 C ATOM 449 O GLU A 33 -8.466 7.097 -3.280 1.00 0.00 O ATOM 450 CB GLU A 33 -9.373 4.019 -2.476 1.00 0.00 C ATOM 451 CG GLU A 33 -8.956 2.574 -2.261 1.00 0.00 C ATOM 452 CD GLU A 33 -9.795 1.599 -3.065 1.00 0.00 C ATOM 453 OE1 GLU A 33 -10.984 1.895 -3.304 1.00 0.00 O ATOM 454 OE2 GLU A 33 -9.261 0.540 -3.456 1.00 0.00 O ATOM 0 H GLU A 33 -8.219 3.939 -0.276 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.414 4.883 -2.677 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.284 4.214 -1.910 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.615 4.166 -3.529 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.908 2.458 -2.535 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -9.037 2.330 -1.202 1.00 0.00 H new ATOM 461 N ASN A 34 -9.649 6.929 -1.374 1.00 0.00 N ATOM 462 CA ASN A 34 -10.212 8.271 -1.477 1.00 0.00 C ATOM 463 C ASN A 34 -9.159 9.328 -1.160 1.00 0.00 C ATOM 464 O ASN A 34 -9.021 10.317 -1.880 1.00 0.00 O ATOM 465 CB ASN A 34 -11.403 8.420 -0.528 1.00 0.00 C ATOM 466 CG ASN A 34 -12.671 7.806 -1.089 1.00 0.00 C ATOM 467 OD1 ASN A 34 -12.904 7.833 -2.297 1.00 0.00 O ATOM 468 ND2 ASN A 34 -13.497 7.248 -0.211 1.00 0.00 N ATOM 0 H ASN A 34 -9.949 6.408 -0.550 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.552 8.419 -2.502 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -11.165 7.948 0.425 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -11.573 9.478 -0.327 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -14.366 6.819 -0.530 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -13.263 7.249 0.782 1.00 0.00 H new ATOM 475 N ARG A 35 -8.418 9.111 -0.078 1.00 0.00 N ATOM 476 CA ARG A 35 -7.377 10.046 0.335 1.00 0.00 C ATOM 477 C ARG A 35 -6.303 10.174 -0.742 1.00 0.00 C ATOM 478 O ARG A 35 -6.112 11.246 -1.316 1.00 0.00 O ATOM 479 CB ARG A 35 -6.744 9.588 1.650 1.00 0.00 C ATOM 480 CG ARG A 35 -7.667 9.724 2.850 1.00 0.00 C ATOM 481 CD ARG A 35 -7.521 11.085 3.513 1.00 0.00 C ATOM 482 NE ARG A 35 -8.751 11.503 4.181 1.00 0.00 N ATOM 483 CZ ARG A 35 -9.007 12.758 4.531 1.00 0.00 C ATOM 484 NH1 ARG A 35 -8.124 13.714 4.278 1.00 0.00 N ATOM 485 NH2 ARG A 35 -10.149 13.060 5.136 1.00 0.00 N ATOM 0 H ARG A 35 -8.519 8.297 0.528 1.00 0.00 H new ATOM 0 HA ARG A 35 -7.838 11.023 0.482 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.439 8.546 1.553 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.840 10.169 1.830 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.700 9.581 2.534 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -7.443 8.940 3.573 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.708 11.049 4.239 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.246 11.826 2.763 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.452 10.792 4.390 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -7.245 13.486 3.813 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -8.324 14.677 4.548 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -10.831 12.328 5.333 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -10.344 14.024 5.404 1.00 0.00 H new ATOM 499 N ILE A 36 -5.607 9.075 -1.009 1.00 0.00 N ATOM 500 CA ILE A 36 -4.553 9.064 -2.016 1.00 0.00 C ATOM 501 C ILE A 36 -4.931 9.926 -3.216 1.00 0.00 C ATOM 502 O ILE A 36 -4.225 10.873 -3.560 1.00 0.00 O ATOM 503 CB ILE A 36 -4.251 7.634 -2.501 1.00 0.00 C ATOM 504 CG1 ILE A 36 -3.777 6.766 -1.333 1.00 0.00 C ATOM 505 CG2 ILE A 36 -3.208 7.659 -3.607 1.00 0.00 C ATOM 506 CD1 ILE A 36 -3.506 5.329 -1.719 1.00 0.00 C ATOM 0 H ILE A 36 -5.754 8.180 -0.542 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.661 9.474 -1.543 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.167 7.201 -2.903 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.868 7.199 -0.915 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.531 6.786 -0.546 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.005 6.641 -3.939 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.581 8.247 -4.446 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.289 8.107 -3.230 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.174 4.773 -0.842 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.419 4.879 -2.110 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.730 5.298 -2.484 1.00 0.00 H new ATOM 518 N ALA A 37 -6.052 9.592 -3.848 1.00 0.00 N ATOM 519 CA ALA A 37 -6.526 10.337 -5.007 1.00 0.00 C ATOM 520 C ALA A 37 -6.554 11.835 -4.723 1.00 0.00 C ATOM 521 O ALA A 37 -6.101 12.638 -5.537 1.00 0.00 O ATOM 522 CB ALA A 37 -7.908 9.850 -5.418 1.00 0.00 C ATOM 0 H ALA A 37 -6.648 8.810 -3.576 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.832 10.163 -5.829 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -8.250 10.415 -6.285 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.860 8.791 -5.671 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.605 9.995 -4.593 1.00 0.00 H new ATOM 528 N GLU A 38 -7.089 12.203 -3.563 1.00 0.00 N ATOM 529 CA GLU A 38 -7.176 13.605 -3.173 1.00 0.00 C ATOM 530 C GLU A 38 -5.791 14.244 -3.126 1.00 0.00 C ATOM 531 O GLU A 38 -5.652 15.461 -3.248 1.00 0.00 O ATOM 532 CB GLU A 38 -7.858 13.737 -1.810 1.00 0.00 C ATOM 533 CG GLU A 38 -9.324 13.339 -1.821 1.00 0.00 C ATOM 534 CD GLU A 38 -10.237 14.484 -2.215 1.00 0.00 C ATOM 535 OE1 GLU A 38 -9.831 15.652 -2.046 1.00 0.00 O ATOM 536 OE2 GLU A 38 -11.357 14.210 -2.694 1.00 0.00 O ATOM 0 H GLU A 38 -7.468 11.550 -2.877 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.772 14.127 -3.921 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.328 13.118 -1.087 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.773 14.769 -1.469 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.466 12.511 -2.515 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.606 12.978 -0.832 1.00 0.00 H new ATOM 543 N PHE A 39 -4.769 13.414 -2.947 1.00 0.00 N ATOM 544 CA PHE A 39 -3.394 13.896 -2.881 1.00 0.00 C ATOM 545 C PHE A 39 -2.730 13.834 -4.254 1.00 0.00 C ATOM 546 O PHE A 39 -1.508 13.914 -4.368 1.00 0.00 O ATOM 547 CB PHE A 39 -2.589 13.072 -1.875 1.00 0.00 C ATOM 548 CG PHE A 39 -2.627 13.626 -0.479 1.00 0.00 C ATOM 549 CD1 PHE A 39 -1.802 14.678 -0.115 1.00 0.00 C ATOM 550 CD2 PHE A 39 -3.487 13.096 0.468 1.00 0.00 C ATOM 551 CE1 PHE A 39 -1.834 15.190 1.168 1.00 0.00 C ATOM 552 CE2 PHE A 39 -3.524 13.603 1.753 1.00 0.00 C ATOM 553 CZ PHE A 39 -2.697 14.652 2.104 1.00 0.00 C ATOM 0 H PHE A 39 -4.867 12.404 -2.845 1.00 0.00 H new ATOM 0 HA PHE A 39 -3.415 14.935 -2.553 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.973 12.052 -1.863 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.552 13.019 -2.208 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -1.126 15.103 -0.842 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.137 12.276 0.199 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.185 16.010 1.439 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.199 13.179 2.482 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.725 15.051 3.107 1.00 0.00 H new ATOM 563 N GLY A 40 -3.546 13.691 -5.294 1.00 0.00 N ATOM 564 CA GLY A 40 -3.021 13.619 -6.644 1.00 0.00 C ATOM 565 C GLY A 40 -2.430 12.261 -6.966 1.00 0.00 C ATOM 566 O GLY A 40 -1.368 12.167 -7.579 1.00 0.00 O ATOM 0 H GLY A 40 -4.561 13.624 -5.225 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.819 13.842 -7.353 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.256 14.385 -6.774 1.00 0.00 H new ATOM 570 N GLY A 41 -3.120 11.203 -6.548 1.00 0.00 N ATOM 571 CA GLY A 41 -2.640 9.857 -6.803 1.00 0.00 C ATOM 572 C GLY A 41 -3.647 9.018 -7.564 1.00 0.00 C ATOM 573 O GLY A 41 -4.817 9.386 -7.673 1.00 0.00 O ATOM 0 H GLY A 41 -4.002 11.254 -6.038 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.711 9.907 -7.370 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.409 9.371 -5.855 1.00 0.00 H new ATOM 577 N TYR A 42 -3.192 7.887 -8.093 1.00 0.00 N ATOM 578 CA TYR A 42 -4.061 6.995 -8.851 1.00 0.00 C ATOM 579 C TYR A 42 -4.393 5.743 -8.045 1.00 0.00 C ATOM 580 O TYR A 42 -3.578 5.265 -7.256 1.00 0.00 O ATOM 581 CB TYR A 42 -3.396 6.603 -10.172 1.00 0.00 C ATOM 582 CG TYR A 42 -4.379 6.325 -11.286 1.00 0.00 C ATOM 583 CD1 TYR A 42 -4.826 7.347 -12.115 1.00 0.00 C ATOM 584 CD2 TYR A 42 -4.863 5.042 -11.509 1.00 0.00 C ATOM 585 CE1 TYR A 42 -5.726 7.098 -13.134 1.00 0.00 C ATOM 586 CE2 TYR A 42 -5.761 4.784 -12.527 1.00 0.00 C ATOM 587 CZ TYR A 42 -6.189 5.815 -13.336 1.00 0.00 C ATOM 588 OH TYR A 42 -7.085 5.562 -14.350 1.00 0.00 O ATOM 0 H TYR A 42 -2.227 7.567 -8.011 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.989 7.526 -9.062 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.725 7.404 -10.483 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -2.782 5.717 -10.011 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -4.464 8.353 -11.960 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -4.532 4.232 -10.876 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -6.065 7.904 -13.768 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -6.126 3.780 -12.688 1.00 0.00 H new ATOM 0 HH TYR A 42 -7.310 4.608 -14.357 1.00 0.00 H new ATOM 598 N ILE A 43 -5.596 5.218 -8.250 1.00 0.00 N ATOM 599 CA ILE A 43 -6.037 4.021 -7.545 1.00 0.00 C ATOM 600 C ILE A 43 -6.633 3.001 -8.510 1.00 0.00 C ATOM 601 O ILE A 43 -7.609 3.284 -9.204 1.00 0.00 O ATOM 602 CB ILE A 43 -7.080 4.357 -6.463 1.00 0.00 C ATOM 603 CG1 ILE A 43 -6.512 5.380 -5.476 1.00 0.00 C ATOM 604 CG2 ILE A 43 -7.513 3.094 -5.734 1.00 0.00 C ATOM 605 CD1 ILE A 43 -5.430 4.819 -4.581 1.00 0.00 C ATOM 0 H ILE A 43 -6.283 5.603 -8.899 1.00 0.00 H new ATOM 0 HA ILE A 43 -5.155 3.594 -7.068 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.955 4.793 -6.946 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.109 6.226 -6.033 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.322 5.764 -4.856 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.250 3.348 -4.972 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.953 2.396 -6.446 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -6.647 2.632 -5.260 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.074 5.599 -3.908 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.834 3.992 -3.997 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.601 4.461 -5.192 1.00 0.00 H new ATOM 617 N VAL A 44 -6.039 1.813 -8.548 1.00 0.00 N ATOM 618 CA VAL A 44 -6.512 0.749 -9.425 1.00 0.00 C ATOM 619 C VAL A 44 -6.925 -0.481 -8.625 1.00 0.00 C ATOM 620 O VAL A 44 -6.898 -0.470 -7.395 1.00 0.00 O ATOM 621 CB VAL A 44 -5.434 0.344 -10.448 1.00 0.00 C ATOM 622 CG1 VAL A 44 -5.201 1.465 -11.450 1.00 0.00 C ATOM 623 CG2 VAL A 44 -4.140 -0.026 -9.740 1.00 0.00 C ATOM 0 H VAL A 44 -5.229 1.563 -7.981 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.379 1.140 -9.957 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.786 -0.532 -10.993 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.436 1.161 -12.165 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.129 1.678 -11.980 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.870 2.360 -10.924 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.390 -0.309 -10.478 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.781 0.829 -9.168 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.321 -0.863 -9.066 1.00 0.00 H new ATOM 633 N GLN A 45 -7.308 -1.539 -9.332 1.00 0.00 N ATOM 634 CA GLN A 45 -7.727 -2.778 -8.687 1.00 0.00 C ATOM 635 C GLN A 45 -6.600 -3.805 -8.697 1.00 0.00 C ATOM 636 O GLN A 45 -6.312 -4.436 -7.681 1.00 0.00 O ATOM 637 CB GLN A 45 -8.961 -3.349 -9.386 1.00 0.00 C ATOM 638 CG GLN A 45 -10.193 -2.467 -9.265 1.00 0.00 C ATOM 639 CD GLN A 45 -10.501 -2.088 -7.829 1.00 0.00 C ATOM 640 OE1 GLN A 45 -11.170 -2.830 -7.109 1.00 0.00 O ATOM 641 NE2 GLN A 45 -10.012 -0.929 -7.405 1.00 0.00 N ATOM 0 H GLN A 45 -7.337 -1.563 -10.351 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.978 -2.552 -7.651 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.734 -3.498 -10.442 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -9.184 -4.330 -8.966 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.045 -1.561 -9.852 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -11.051 -2.987 -9.691 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.463 -0.346 -8.036 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -10.186 -0.622 -6.448 1.00 0.00 H new ATOM 650 N ASN A 46 -5.966 -3.969 -9.854 1.00 0.00 N ATOM 651 CA ASN A 46 -4.871 -4.922 -9.997 1.00 0.00 C ATOM 652 C ASN A 46 -3.572 -4.207 -10.355 1.00 0.00 C ATOM 653 O ASN A 46 -3.539 -3.311 -11.199 1.00 0.00 O ATOM 654 CB ASN A 46 -5.207 -5.960 -11.069 1.00 0.00 C ATOM 655 CG ASN A 46 -5.169 -5.379 -12.469 1.00 0.00 C ATOM 656 OD1 ASN A 46 -5.900 -4.439 -12.783 1.00 0.00 O ATOM 657 ND2 ASN A 46 -4.315 -5.937 -13.319 1.00 0.00 N ATOM 0 H ASN A 46 -6.192 -3.455 -10.705 1.00 0.00 H new ATOM 0 HA ASN A 46 -4.735 -5.428 -9.041 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.501 -6.788 -11.003 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -6.198 -6.370 -10.876 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -4.246 -5.588 -14.275 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -3.728 -6.714 -13.016 1.00 0.00 H new ATOM 664 N PRO A 47 -2.473 -4.612 -9.700 1.00 0.00 N ATOM 665 CA PRO A 47 -1.151 -4.024 -9.934 1.00 0.00 C ATOM 666 C PRO A 47 -0.588 -4.390 -11.303 1.00 0.00 C ATOM 667 O PRO A 47 -0.819 -5.488 -11.807 1.00 0.00 O ATOM 668 CB PRO A 47 -0.291 -4.633 -8.822 1.00 0.00 C ATOM 669 CG PRO A 47 -0.968 -5.915 -8.480 1.00 0.00 C ATOM 670 CD PRO A 47 -2.438 -5.675 -8.682 1.00 0.00 C ATOM 0 HA PRO A 47 -1.181 -2.934 -9.921 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.731 -4.803 -9.160 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.235 -3.972 -7.957 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.614 -6.725 -9.117 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.758 -6.204 -7.450 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.949 -6.575 -9.023 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.925 -5.363 -7.758 1.00 0.00 H new ATOM 678 N GLY A 48 0.153 -3.461 -11.900 1.00 0.00 N ATOM 679 CA GLY A 48 0.738 -3.705 -13.206 1.00 0.00 C ATOM 680 C GLY A 48 2.117 -3.091 -13.347 1.00 0.00 C ATOM 681 O GLY A 48 2.804 -2.821 -12.362 1.00 0.00 O ATOM 0 H GLY A 48 0.359 -2.544 -11.503 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.803 -4.780 -13.377 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.082 -3.299 -13.976 1.00 0.00 H new ATOM 685 N PRO A 49 2.542 -2.863 -14.599 1.00 0.00 N ATOM 686 CA PRO A 49 3.852 -2.277 -14.895 1.00 0.00 C ATOM 687 C PRO A 49 3.933 -0.807 -14.496 1.00 0.00 C ATOM 688 O PRO A 49 5.022 -0.264 -14.310 1.00 0.00 O ATOM 689 CB PRO A 49 3.971 -2.425 -16.414 1.00 0.00 C ATOM 690 CG PRO A 49 2.565 -2.475 -16.902 1.00 0.00 C ATOM 691 CD PRO A 49 1.776 -3.161 -15.821 1.00 0.00 C ATOM 0 HA PRO A 49 4.652 -2.767 -14.341 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.512 -1.586 -16.852 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.515 -3.331 -16.682 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.181 -1.472 -17.089 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.497 -3.023 -17.842 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.758 -2.776 -15.761 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.702 -4.234 -15.997 1.00 0.00 H new ATOM 699 N ASP A 50 2.775 -0.170 -14.366 1.00 0.00 N ATOM 700 CA ASP A 50 2.714 1.237 -13.987 1.00 0.00 C ATOM 701 C ASP A 50 2.223 1.393 -12.551 1.00 0.00 C ATOM 702 O ASP A 50 1.390 2.250 -12.257 1.00 0.00 O ATOM 703 CB ASP A 50 1.796 2.005 -14.939 1.00 0.00 C ATOM 704 CG ASP A 50 0.336 1.639 -14.756 1.00 0.00 C ATOM 705 OD1 ASP A 50 0.052 0.456 -14.479 1.00 0.00 O ATOM 706 OD2 ASP A 50 -0.522 2.536 -14.892 1.00 0.00 O ATOM 0 H ASP A 50 1.865 -0.606 -14.517 1.00 0.00 H new ATOM 0 HA ASP A 50 3.721 1.649 -14.054 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.922 3.075 -14.776 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.092 1.802 -15.968 1.00 0.00 H new ATOM 711 N THR A 51 2.745 0.556 -11.659 1.00 0.00 N ATOM 712 CA THR A 51 2.358 0.599 -10.254 1.00 0.00 C ATOM 713 C THR A 51 3.560 0.888 -9.362 1.00 0.00 C ATOM 714 O THR A 51 4.590 0.219 -9.454 1.00 0.00 O ATOM 715 CB THR A 51 1.710 -0.726 -9.809 1.00 0.00 C ATOM 716 OG1 THR A 51 0.435 -0.884 -10.442 1.00 0.00 O ATOM 717 CG2 THR A 51 1.541 -0.765 -8.298 1.00 0.00 C ATOM 0 H THR A 51 3.436 -0.159 -11.885 1.00 0.00 H new ATOM 0 HA THR A 51 1.630 1.404 -10.151 1.00 0.00 H new ATOM 0 HB THR A 51 2.366 -1.544 -10.106 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.265 -0.936 -9.758 1.00 0.00 H new ATOM 0 HG21 THR A 51 1.082 -1.710 -8.008 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.516 -0.674 -7.820 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.904 0.061 -7.982 1.00 0.00 H new ATOM 725 N TYR A 52 3.422 1.887 -8.497 1.00 0.00 N ATOM 726 CA TYR A 52 4.498 2.266 -7.589 1.00 0.00 C ATOM 727 C TYR A 52 4.705 1.201 -6.516 1.00 0.00 C ATOM 728 O TYR A 52 5.812 0.690 -6.339 1.00 0.00 O ATOM 729 CB TYR A 52 4.189 3.613 -6.933 1.00 0.00 C ATOM 730 CG TYR A 52 5.346 4.180 -6.141 1.00 0.00 C ATOM 731 CD1 TYR A 52 6.538 4.524 -6.766 1.00 0.00 C ATOM 732 CD2 TYR A 52 5.246 4.373 -4.769 1.00 0.00 C ATOM 733 CE1 TYR A 52 7.598 5.042 -6.047 1.00 0.00 C ATOM 734 CE2 TYR A 52 6.300 4.892 -4.042 1.00 0.00 C ATOM 735 CZ TYR A 52 7.474 5.224 -4.685 1.00 0.00 C ATOM 736 OH TYR A 52 8.527 5.741 -3.966 1.00 0.00 O ATOM 0 H TYR A 52 2.576 2.449 -8.406 1.00 0.00 H new ATOM 0 HA TYR A 52 5.416 2.354 -8.170 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.904 4.327 -7.706 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.329 3.498 -6.273 1.00 0.00 H new ATOM 0 HD1 TYR A 52 6.638 4.384 -7.832 1.00 0.00 H new ATOM 0 HD2 TYR A 52 4.329 4.113 -4.262 1.00 0.00 H new ATOM 0 HE1 TYR A 52 8.518 5.303 -6.548 1.00 0.00 H new ATOM 0 HE2 TYR A 52 6.205 5.037 -2.976 1.00 0.00 H new ATOM 0 HH TYR A 52 8.277 5.807 -3.021 1.00 0.00 H new ATOM 746 N CYS A 53 3.633 0.871 -5.804 1.00 0.00 N ATOM 747 CA CYS A 53 3.696 -0.133 -4.748 1.00 0.00 C ATOM 748 C CYS A 53 2.300 -0.628 -4.385 1.00 0.00 C ATOM 749 O CYS A 53 1.297 -0.071 -4.831 1.00 0.00 O ATOM 750 CB CYS A 53 4.386 0.441 -3.510 1.00 0.00 C ATOM 751 SG CYS A 53 3.581 1.913 -2.833 1.00 0.00 S ATOM 0 H CYS A 53 2.710 1.284 -5.939 1.00 0.00 H new ATOM 0 HA CYS A 53 4.276 -0.978 -5.118 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.422 -0.328 -2.738 1.00 0.00 H new ATOM 0 HB3 CYS A 53 5.417 0.688 -3.763 1.00 0.00 H new ATOM 0 HG CYS A 53 4.236 2.324 -1.788 1.00 0.00 H new ATOM 757 N VAL A 54 2.243 -1.679 -3.573 1.00 0.00 N ATOM 758 CA VAL A 54 0.970 -2.249 -3.149 1.00 0.00 C ATOM 759 C VAL A 54 0.737 -2.027 -1.659 1.00 0.00 C ATOM 760 O VAL A 54 1.607 -2.311 -0.835 1.00 0.00 O ATOM 761 CB VAL A 54 0.904 -3.759 -3.449 1.00 0.00 C ATOM 762 CG1 VAL A 54 -0.341 -4.373 -2.828 1.00 0.00 C ATOM 763 CG2 VAL A 54 0.938 -4.005 -4.949 1.00 0.00 C ATOM 0 H VAL A 54 3.064 -2.153 -3.196 1.00 0.00 H new ATOM 0 HA VAL A 54 0.190 -1.739 -3.715 1.00 0.00 H new ATOM 0 HB VAL A 54 1.776 -4.239 -3.005 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.370 -5.440 -3.050 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.318 -4.228 -1.748 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.228 -3.892 -3.240 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.891 -5.077 -5.143 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.086 -3.513 -5.418 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.862 -3.602 -5.363 1.00 0.00 H new ATOM 773 N ILE A 55 -0.443 -1.520 -1.320 1.00 0.00 N ATOM 774 CA ILE A 55 -0.792 -1.261 0.072 1.00 0.00 C ATOM 775 C ILE A 55 -1.626 -2.400 0.650 1.00 0.00 C ATOM 776 O ILE A 55 -2.733 -2.670 0.186 1.00 0.00 O ATOM 777 CB ILE A 55 -1.571 0.058 0.222 1.00 0.00 C ATOM 778 CG1 ILE A 55 -0.698 1.242 -0.200 1.00 0.00 C ATOM 779 CG2 ILE A 55 -2.050 0.231 1.655 1.00 0.00 C ATOM 780 CD1 ILE A 55 0.428 1.537 0.766 1.00 0.00 C ATOM 0 H ILE A 55 -1.174 -1.280 -1.990 1.00 0.00 H new ATOM 0 HA ILE A 55 0.145 -1.183 0.623 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.444 0.023 -0.430 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.277 1.040 -1.185 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.325 2.129 -0.297 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.599 1.168 1.744 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.703 -0.599 1.923 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.191 0.248 2.326 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.005 2.388 0.403 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.014 1.771 1.747 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.078 0.665 0.845 1.00 0.00 H new ATOM 792 N ALA A 56 -1.087 -3.063 1.668 1.00 0.00 N ATOM 793 CA ALA A 56 -1.782 -4.169 2.313 1.00 0.00 C ATOM 794 C ALA A 56 -1.477 -4.214 3.807 1.00 0.00 C ATOM 795 O ALA A 56 -0.329 -4.390 4.211 1.00 0.00 O ATOM 796 CB ALA A 56 -1.401 -5.487 1.655 1.00 0.00 C ATOM 0 H ALA A 56 -0.171 -2.853 2.064 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.854 -4.011 2.193 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.928 -6.305 2.147 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.676 -5.460 0.601 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.326 -5.641 1.745 1.00 0.00 H new ATOM 802 N GLY A 57 -2.515 -4.052 4.623 1.00 0.00 N ATOM 803 CA GLY A 57 -2.336 -4.076 6.063 1.00 0.00 C ATOM 804 C GLY A 57 -2.365 -5.482 6.627 1.00 0.00 C ATOM 805 O GLY A 57 -1.906 -5.720 7.745 1.00 0.00 O ATOM 0 H GLY A 57 -3.475 -3.905 4.313 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.386 -3.606 6.316 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.120 -3.483 6.533 1.00 0.00 H new ATOM 809 N SER A 58 -2.906 -6.418 5.854 1.00 0.00 N ATOM 810 CA SER A 58 -2.998 -7.807 6.286 1.00 0.00 C ATOM 811 C SER A 58 -2.447 -8.746 5.216 1.00 0.00 C ATOM 812 O SER A 58 -2.365 -8.386 4.043 1.00 0.00 O ATOM 813 CB SER A 58 -4.451 -8.171 6.600 1.00 0.00 C ATOM 814 OG SER A 58 -4.520 -9.239 7.529 1.00 0.00 O ATOM 0 H SER A 58 -3.287 -6.239 4.925 1.00 0.00 H new ATOM 0 HA SER A 58 -2.399 -7.921 7.189 1.00 0.00 H new ATOM 0 HB2 SER A 58 -4.968 -7.300 7.003 1.00 0.00 H new ATOM 0 HB3 SER A 58 -4.966 -8.451 5.681 1.00 0.00 H new ATOM 0 HG SER A 58 -5.459 -9.451 7.714 1.00 0.00 H new ATOM 820 N GLU A 59 -2.072 -9.952 5.632 1.00 0.00 N ATOM 821 CA GLU A 59 -1.529 -10.942 4.711 1.00 0.00 C ATOM 822 C GLU A 59 -2.629 -11.861 4.188 1.00 0.00 C ATOM 823 O GLU A 59 -3.428 -12.390 4.958 1.00 0.00 O ATOM 824 CB GLU A 59 -0.442 -11.770 5.400 1.00 0.00 C ATOM 825 CG GLU A 59 0.855 -11.011 5.619 1.00 0.00 C ATOM 826 CD GLU A 59 2.059 -11.928 5.714 1.00 0.00 C ATOM 827 OE1 GLU A 59 2.515 -12.421 4.662 1.00 0.00 O ATOM 828 OE2 GLU A 59 2.545 -12.153 6.843 1.00 0.00 O ATOM 0 H GLU A 59 -2.135 -10.266 6.600 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.091 -10.412 3.866 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.817 -12.117 6.363 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.237 -12.656 4.800 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.003 -10.308 4.800 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.778 -10.423 6.534 1.00 0.00 H new ATOM 835 N ASN A 60 -2.663 -12.044 2.872 1.00 0.00 N ATOM 836 CA ASN A 60 -3.665 -12.897 2.244 1.00 0.00 C ATOM 837 C ASN A 60 -3.187 -13.387 0.881 1.00 0.00 C ATOM 838 O ASN A 60 -2.176 -12.914 0.360 1.00 0.00 O ATOM 839 CB ASN A 60 -4.986 -12.141 2.092 1.00 0.00 C ATOM 840 CG ASN A 60 -6.084 -13.006 1.505 1.00 0.00 C ATOM 841 OD1 ASN A 60 -6.394 -14.076 2.029 1.00 0.00 O ATOM 842 ND2 ASN A 60 -6.679 -12.546 0.410 1.00 0.00 N ATOM 0 H ASN A 60 -2.008 -11.613 2.220 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.822 -13.763 2.887 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.302 -11.769 3.066 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.832 -11.271 1.453 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.425 -13.085 -0.030 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.390 -11.654 0.009 1.00 0.00 H new ATOM 849 N ILE A 61 -3.920 -14.336 0.308 1.00 0.00 N ATOM 850 CA ILE A 61 -3.572 -14.887 -0.995 1.00 0.00 C ATOM 851 C ILE A 61 -3.262 -13.780 -1.996 1.00 0.00 C ATOM 852 O ILE A 61 -2.155 -13.703 -2.530 1.00 0.00 O ATOM 853 CB ILE A 61 -4.705 -15.768 -1.555 1.00 0.00 C ATOM 854 CG1 ILE A 61 -4.753 -17.106 -0.815 1.00 0.00 C ATOM 855 CG2 ILE A 61 -4.516 -15.988 -3.049 1.00 0.00 C ATOM 856 CD1 ILE A 61 -5.142 -16.978 0.641 1.00 0.00 C ATOM 0 H ILE A 61 -4.759 -14.739 0.726 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.683 -15.501 -0.850 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.654 -15.255 -1.401 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.463 -17.764 -1.316 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.775 -17.584 -0.881 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.324 -16.612 -3.430 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.527 -15.027 -3.563 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.561 -16.483 -3.226 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.156 -17.966 1.102 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.419 -16.347 1.157 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.133 -16.530 0.715 1.00 0.00 H new ATOM 868 N ARG A 62 -4.246 -12.922 -2.245 1.00 0.00 N ATOM 869 CA ARG A 62 -4.078 -11.817 -3.181 1.00 0.00 C ATOM 870 C ARG A 62 -2.730 -11.132 -2.978 1.00 0.00 C ATOM 871 O ARG A 62 -1.878 -11.138 -3.867 1.00 0.00 O ATOM 872 CB ARG A 62 -5.209 -10.801 -3.012 1.00 0.00 C ATOM 873 CG ARG A 62 -6.526 -11.248 -3.625 1.00 0.00 C ATOM 874 CD ARG A 62 -7.345 -12.074 -2.645 1.00 0.00 C ATOM 875 NE ARG A 62 -8.707 -12.299 -3.123 1.00 0.00 N ATOM 876 CZ ARG A 62 -9.041 -13.281 -3.953 1.00 0.00 C ATOM 877 NH1 ARG A 62 -8.118 -14.124 -4.393 1.00 0.00 N ATOM 878 NH2 ARG A 62 -10.302 -13.421 -4.343 1.00 0.00 N ATOM 0 H ARG A 62 -5.168 -12.971 -1.811 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.111 -12.223 -4.192 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.359 -10.610 -1.949 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.909 -9.857 -3.466 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.100 -10.374 -3.934 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -6.330 -11.835 -4.522 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.855 -13.034 -2.482 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.378 -11.565 -1.682 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.441 -11.668 -2.802 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.148 -14.020 -4.094 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.377 -14.877 -5.030 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -11.015 -12.774 -4.005 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.558 -14.175 -4.980 1.00 0.00 H new ATOM 892 N VAL A 63 -2.544 -10.540 -1.802 1.00 0.00 N ATOM 893 CA VAL A 63 -1.300 -9.851 -1.482 1.00 0.00 C ATOM 894 C VAL A 63 -0.092 -10.742 -1.753 1.00 0.00 C ATOM 895 O VAL A 63 0.933 -10.281 -2.254 1.00 0.00 O ATOM 896 CB VAL A 63 -1.271 -9.400 -0.009 1.00 0.00 C ATOM 897 CG1 VAL A 63 0.051 -8.723 0.317 1.00 0.00 C ATOM 898 CG2 VAL A 63 -2.441 -8.474 0.287 1.00 0.00 C ATOM 0 H VAL A 63 -3.239 -10.524 -1.056 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.251 -8.972 -2.125 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.365 -10.282 0.625 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.052 -8.412 1.362 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.870 -9.422 0.146 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.180 -7.850 -0.322 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.405 -8.165 1.332 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.380 -7.594 -0.354 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.377 -8.998 0.096 1.00 0.00 H new ATOM 908 N LYS A 64 -0.221 -12.021 -1.418 1.00 0.00 N ATOM 909 CA LYS A 64 0.858 -12.979 -1.626 1.00 0.00 C ATOM 910 C LYS A 64 1.265 -13.030 -3.095 1.00 0.00 C ATOM 911 O LYS A 64 2.418 -12.771 -3.438 1.00 0.00 O ATOM 912 CB LYS A 64 0.429 -14.371 -1.156 1.00 0.00 C ATOM 913 CG LYS A 64 1.582 -15.229 -0.663 1.00 0.00 C ATOM 914 CD LYS A 64 1.114 -16.619 -0.268 1.00 0.00 C ATOM 915 CE LYS A 64 2.009 -17.226 0.801 1.00 0.00 C ATOM 916 NZ LYS A 64 1.947 -16.461 2.077 1.00 0.00 N ATOM 0 H LYS A 64 -1.063 -12.418 -1.001 1.00 0.00 H new ATOM 0 HA LYS A 64 1.718 -12.653 -1.040 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.303 -14.265 -0.355 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.070 -14.885 -1.978 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.338 -15.307 -1.444 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.056 -14.747 0.192 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.089 -16.568 0.100 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.106 -17.264 -1.146 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.710 -18.258 0.982 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.038 -17.251 0.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.147 -17.098 2.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.653 -15.697 2.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.998 -16.052 2.191 1.00 0.00 H new ATOM 930 N ASN A 65 0.310 -13.363 -3.958 1.00 0.00 N ATOM 931 CA ASN A 65 0.570 -13.446 -5.390 1.00 0.00 C ATOM 932 C ASN A 65 1.497 -12.321 -5.841 1.00 0.00 C ATOM 933 O ASN A 65 2.435 -12.546 -6.608 1.00 0.00 O ATOM 934 CB ASN A 65 -0.744 -13.384 -6.172 1.00 0.00 C ATOM 935 CG ASN A 65 -1.514 -14.689 -6.114 1.00 0.00 C ATOM 936 OD1 ASN A 65 -1.508 -15.468 -7.067 1.00 0.00 O ATOM 937 ND2 ASN A 65 -2.181 -14.932 -4.992 1.00 0.00 N ATOM 0 H ASN A 65 -0.650 -13.579 -3.690 1.00 0.00 H new ATOM 0 HA ASN A 65 1.060 -14.399 -5.591 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.364 -12.582 -5.772 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -0.533 -13.136 -7.212 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.717 -15.794 -4.894 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.157 -14.257 -4.228 1.00 0.00 H new ATOM 944 N ILE A 66 1.229 -11.112 -5.360 1.00 0.00 N ATOM 945 CA ILE A 66 2.040 -9.953 -5.712 1.00 0.00 C ATOM 946 C ILE A 66 3.446 -10.070 -5.135 1.00 0.00 C ATOM 947 O ILE A 66 4.428 -9.718 -5.789 1.00 0.00 O ATOM 948 CB ILE A 66 1.399 -8.645 -5.212 1.00 0.00 C ATOM 949 CG1 ILE A 66 0.142 -8.325 -6.024 1.00 0.00 C ATOM 950 CG2 ILE A 66 2.397 -7.500 -5.298 1.00 0.00 C ATOM 951 CD1 ILE A 66 -1.080 -9.094 -5.573 1.00 0.00 C ATOM 0 H ILE A 66 0.457 -10.909 -4.725 1.00 0.00 H new ATOM 0 HA ILE A 66 2.098 -9.927 -6.800 1.00 0.00 H new ATOM 0 HB ILE A 66 1.112 -8.774 -4.168 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.064 -7.257 -5.954 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.332 -8.544 -7.075 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.929 -6.582 -4.941 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.266 -7.728 -4.681 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.711 -7.368 -6.333 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.933 -8.817 -6.192 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.893 -10.163 -5.670 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.296 -8.856 -4.531 1.00 0.00 H new ATOM 963 N ILE A 67 3.536 -10.569 -3.907 1.00 0.00 N ATOM 964 CA ILE A 67 4.822 -10.736 -3.242 1.00 0.00 C ATOM 965 C ILE A 67 5.683 -11.768 -3.963 1.00 0.00 C ATOM 966 O ILE A 67 6.880 -11.559 -4.169 1.00 0.00 O ATOM 967 CB ILE A 67 4.646 -11.166 -1.774 1.00 0.00 C ATOM 968 CG1 ILE A 67 4.037 -10.026 -0.955 1.00 0.00 C ATOM 969 CG2 ILE A 67 5.981 -11.594 -1.184 1.00 0.00 C ATOM 970 CD1 ILE A 67 3.488 -10.469 0.383 1.00 0.00 C ATOM 0 H ILE A 67 2.733 -10.865 -3.352 1.00 0.00 H new ATOM 0 HA ILE A 67 5.320 -9.767 -3.270 1.00 0.00 H new ATOM 0 HB ILE A 67 3.966 -12.017 -1.739 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.796 -9.261 -0.792 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.236 -9.563 -1.532 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.840 -11.895 -0.146 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.379 -12.433 -1.755 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.682 -10.761 -1.228 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.072 -9.609 0.908 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.706 -11.212 0.227 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.290 -10.906 0.979 1.00 0.00 H new ATOM 982 N LEU A 68 5.067 -12.881 -4.345 1.00 0.00 N ATOM 983 CA LEU A 68 5.777 -13.946 -5.045 1.00 0.00 C ATOM 984 C LEU A 68 6.431 -13.419 -6.318 1.00 0.00 C ATOM 985 O LEU A 68 7.618 -13.641 -6.555 1.00 0.00 O ATOM 986 CB LEU A 68 4.817 -15.087 -5.386 1.00 0.00 C ATOM 987 CG LEU A 68 3.915 -15.568 -4.249 1.00 0.00 C ATOM 988 CD1 LEU A 68 2.870 -16.542 -4.771 1.00 0.00 C ATOM 989 CD2 LEU A 68 4.743 -16.212 -3.147 1.00 0.00 C ATOM 0 H LEU A 68 4.078 -13.070 -4.182 1.00 0.00 H new ATOM 0 HA LEU A 68 6.559 -14.322 -4.386 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.185 -14.768 -6.214 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.403 -15.934 -5.741 1.00 0.00 H new ATOM 0 HG LEU A 68 3.399 -14.704 -3.831 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.238 -16.873 -3.947 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.256 -16.048 -5.524 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.366 -17.404 -5.217 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.084 -16.548 -2.346 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.287 -17.065 -3.552 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.452 -15.484 -2.752 1.00 0.00 H new ATOM 1001 N SER A 69 5.649 -12.719 -7.134 1.00 0.00 N ATOM 1002 CA SER A 69 6.151 -12.162 -8.384 1.00 0.00 C ATOM 1003 C SER A 69 7.470 -11.428 -8.160 1.00 0.00 C ATOM 1004 O SER A 69 8.309 -11.350 -9.056 1.00 0.00 O ATOM 1005 CB SER A 69 5.121 -11.208 -8.992 1.00 0.00 C ATOM 1006 OG SER A 69 4.222 -11.902 -9.840 1.00 0.00 O ATOM 0 H SER A 69 4.665 -12.524 -6.951 1.00 0.00 H new ATOM 0 HA SER A 69 6.326 -12.986 -9.076 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.566 -10.712 -8.196 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.632 -10.429 -9.558 1.00 0.00 H new ATOM 0 HG SER A 69 3.573 -11.271 -10.215 1.00 0.00 H new ATOM 1012 N ASN A 70 7.645 -10.892 -6.956 1.00 0.00 N ATOM 1013 CA ASN A 70 8.861 -10.164 -6.613 1.00 0.00 C ATOM 1014 C ASN A 70 9.039 -8.946 -7.515 1.00 0.00 C ATOM 1015 O ASN A 70 10.131 -8.687 -8.020 1.00 0.00 O ATOM 1016 CB ASN A 70 10.080 -11.081 -6.730 1.00 0.00 C ATOM 1017 CG ASN A 70 10.374 -11.820 -5.439 1.00 0.00 C ATOM 1018 OD1 ASN A 70 9.882 -12.926 -5.217 1.00 0.00 O ATOM 1019 ND2 ASN A 70 11.180 -11.208 -4.579 1.00 0.00 N ATOM 0 H ASN A 70 6.960 -10.948 -6.202 1.00 0.00 H new ATOM 0 HA ASN A 70 8.770 -9.821 -5.582 1.00 0.00 H new ATOM 0 HB2 ASN A 70 9.912 -11.803 -7.529 1.00 0.00 H new ATOM 0 HB3 ASN A 70 10.951 -10.489 -7.013 1.00 0.00 H new ATOM 0 HD21 ASN A 70 11.414 -11.655 -3.693 1.00 0.00 H new ATOM 0 HD22 ASN A 70 11.565 -10.291 -4.805 1.00 0.00 H new ATOM 1026 N LYS A 71 7.957 -8.201 -7.713 1.00 0.00 N ATOM 1027 CA LYS A 71 7.992 -7.009 -8.552 1.00 0.00 C ATOM 1028 C LYS A 71 7.586 -5.772 -7.757 1.00 0.00 C ATOM 1029 O LYS A 71 8.309 -4.776 -7.728 1.00 0.00 O ATOM 1030 CB LYS A 71 7.064 -7.181 -9.757 1.00 0.00 C ATOM 1031 CG LYS A 71 7.746 -7.795 -10.967 1.00 0.00 C ATOM 1032 CD LYS A 71 8.184 -9.224 -10.695 1.00 0.00 C ATOM 1033 CE LYS A 71 8.909 -9.822 -11.891 1.00 0.00 C ATOM 1034 NZ LYS A 71 8.813 -11.308 -11.912 1.00 0.00 N ATOM 0 H LYS A 71 7.045 -8.402 -7.304 1.00 0.00 H new ATOM 0 HA LYS A 71 9.014 -6.873 -8.905 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.220 -7.808 -9.469 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.658 -6.208 -10.034 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.064 -7.778 -11.817 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.613 -7.194 -11.241 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.838 -9.245 -9.824 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.313 -9.833 -10.454 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.487 -9.418 -12.811 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.958 -9.526 -11.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.714 -11.709 -12.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.608 -11.656 -10.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.049 -11.597 -12.556 1.00 0.00 H new ATOM 1048 N HIS A 72 6.425 -5.843 -7.113 1.00 0.00 N ATOM 1049 CA HIS A 72 5.924 -4.729 -6.315 1.00 0.00 C ATOM 1050 C HIS A 72 6.195 -4.958 -4.831 1.00 0.00 C ATOM 1051 O HIS A 72 6.290 -6.098 -4.376 1.00 0.00 O ATOM 1052 CB HIS A 72 4.425 -4.540 -6.549 1.00 0.00 C ATOM 1053 CG HIS A 72 4.076 -4.213 -7.968 1.00 0.00 C ATOM 1054 ND1 HIS A 72 2.777 -4.114 -8.420 1.00 0.00 N ATOM 1055 CD2 HIS A 72 4.866 -3.960 -9.038 1.00 0.00 C ATOM 1056 CE1 HIS A 72 2.783 -3.815 -9.707 1.00 0.00 C ATOM 1057 NE2 HIS A 72 4.038 -3.716 -10.106 1.00 0.00 N ATOM 0 H HIS A 72 5.814 -6.660 -7.128 1.00 0.00 H new ATOM 0 HA HIS A 72 6.449 -3.826 -6.627 1.00 0.00 H new ATOM 0 HB2 HIS A 72 3.902 -5.451 -6.256 1.00 0.00 H new ATOM 0 HB3 HIS A 72 4.063 -3.742 -5.901 1.00 0.00 H new ATOM 0 HD2 HIS A 72 5.946 -3.952 -9.049 1.00 0.00 H new ATOM 0 HE1 HIS A 72 1.910 -3.675 -10.327 1.00 0.00 H new ATOM 0 HE2 HIS A 72 4.343 -3.494 -11.054 1.00 0.00 H new ATOM 1065 N ASP A 73 6.319 -3.868 -4.082 1.00 0.00 N ATOM 1066 CA ASP A 73 6.579 -3.950 -2.650 1.00 0.00 C ATOM 1067 C ASP A 73 5.285 -3.814 -1.854 1.00 0.00 C ATOM 1068 O ASP A 73 4.345 -3.147 -2.287 1.00 0.00 O ATOM 1069 CB ASP A 73 7.569 -2.863 -2.226 1.00 0.00 C ATOM 1070 CG ASP A 73 7.282 -1.529 -2.887 1.00 0.00 C ATOM 1071 OD1 ASP A 73 7.807 -1.290 -3.995 1.00 0.00 O ATOM 1072 OD2 ASP A 73 6.532 -0.725 -2.297 1.00 0.00 O ATOM 0 H ASP A 73 6.244 -2.917 -4.443 1.00 0.00 H new ATOM 0 HA ASP A 73 7.013 -4.928 -2.440 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.532 -2.744 -1.143 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.581 -3.179 -2.477 1.00 0.00 H new ATOM 1077 N VAL A 74 5.243 -4.452 -0.689 1.00 0.00 N ATOM 1078 CA VAL A 74 4.064 -4.402 0.168 1.00 0.00 C ATOM 1079 C VAL A 74 4.272 -3.443 1.334 1.00 0.00 C ATOM 1080 O VAL A 74 5.117 -3.674 2.200 1.00 0.00 O ATOM 1081 CB VAL A 74 3.713 -5.796 0.721 1.00 0.00 C ATOM 1082 CG1 VAL A 74 2.462 -5.730 1.582 1.00 0.00 C ATOM 1083 CG2 VAL A 74 3.536 -6.791 -0.416 1.00 0.00 C ATOM 0 H VAL A 74 6.012 -5.010 -0.317 1.00 0.00 H new ATOM 0 HA VAL A 74 3.239 -4.045 -0.449 1.00 0.00 H new ATOM 0 HB VAL A 74 4.538 -6.137 1.347 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.230 -6.724 1.964 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.631 -5.051 2.418 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.627 -5.367 0.983 1.00 0.00 H new ATOM 0 HG21 VAL A 74 3.288 -7.771 -0.007 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.731 -6.457 -1.070 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.462 -6.860 -0.987 1.00 0.00 H new ATOM 1093 N VAL A 75 3.495 -2.364 1.351 1.00 0.00 N ATOM 1094 CA VAL A 75 3.593 -1.369 2.412 1.00 0.00 C ATOM 1095 C VAL A 75 2.301 -1.298 3.219 1.00 0.00 C ATOM 1096 O VAL A 75 1.211 -1.512 2.688 1.00 0.00 O ATOM 1097 CB VAL A 75 3.908 0.028 1.844 1.00 0.00 C ATOM 1098 CG1 VAL A 75 4.556 0.903 2.907 1.00 0.00 C ATOM 1099 CG2 VAL A 75 4.800 -0.085 0.618 1.00 0.00 C ATOM 0 H VAL A 75 2.791 -2.157 0.642 1.00 0.00 H new ATOM 0 HA VAL A 75 4.409 -1.680 3.064 1.00 0.00 H new ATOM 0 HB VAL A 75 2.972 0.498 1.542 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.771 1.886 2.488 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.877 1.010 3.753 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.484 0.441 3.243 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.013 0.911 0.230 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.734 -0.575 0.892 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.293 -0.672 -0.148 1.00 0.00 H new ATOM 1109 N LYS A 76 2.430 -0.995 4.506 1.00 0.00 N ATOM 1110 CA LYS A 76 1.274 -0.893 5.389 1.00 0.00 C ATOM 1111 C LYS A 76 0.451 0.350 5.066 1.00 0.00 C ATOM 1112 O LYS A 76 0.984 1.401 4.708 1.00 0.00 O ATOM 1113 CB LYS A 76 1.724 -0.855 6.851 1.00 0.00 C ATOM 1114 CG LYS A 76 1.872 -2.230 7.478 1.00 0.00 C ATOM 1115 CD LYS A 76 2.600 -2.161 8.810 1.00 0.00 C ATOM 1116 CE LYS A 76 2.720 -3.534 9.452 1.00 0.00 C ATOM 1117 NZ LYS A 76 2.924 -3.442 10.924 1.00 0.00 N ATOM 0 H LYS A 76 3.325 -0.816 4.961 1.00 0.00 H new ATOM 0 HA LYS A 76 0.649 -1.772 5.231 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.678 -0.331 6.915 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.003 -0.277 7.429 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.886 -2.672 7.624 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.418 -2.884 6.798 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.594 -1.740 8.661 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.067 -1.489 9.483 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.819 -4.111 9.246 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.554 -4.073 9.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.001 -4.399 11.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.797 -2.913 11.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.116 -2.950 11.356 1.00 0.00 H new ATOM 1131 N PRO A 77 -0.878 0.232 5.197 1.00 0.00 N ATOM 1132 CA PRO A 77 -1.802 1.337 4.927 1.00 0.00 C ATOM 1133 C PRO A 77 -1.700 2.446 5.968 1.00 0.00 C ATOM 1134 O PRO A 77 -2.414 3.446 5.896 1.00 0.00 O ATOM 1135 CB PRO A 77 -3.179 0.672 4.988 1.00 0.00 C ATOM 1136 CG PRO A 77 -2.988 -0.516 5.867 1.00 0.00 C ATOM 1137 CD PRO A 77 -1.582 -0.991 5.621 1.00 0.00 C ATOM 0 HA PRO A 77 -1.589 1.821 3.974 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.928 1.350 5.396 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.521 0.379 3.996 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.134 -0.254 6.915 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.711 -1.297 5.630 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.139 -1.418 6.521 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.547 -1.762 4.851 1.00 0.00 H new ATOM 1145 N ALA A 78 -0.807 2.263 6.935 1.00 0.00 N ATOM 1146 CA ALA A 78 -0.610 3.250 7.990 1.00 0.00 C ATOM 1147 C ALA A 78 0.313 4.372 7.527 1.00 0.00 C ATOM 1148 O ALA A 78 0.103 5.538 7.859 1.00 0.00 O ATOM 1149 CB ALA A 78 -0.050 2.584 9.238 1.00 0.00 C ATOM 0 H ALA A 78 -0.208 1.440 7.010 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.579 3.688 8.229 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.092 3.333 10.017 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.747 1.823 9.588 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.907 2.118 9.004 1.00 0.00 H new ATOM 1155 N TRP A 79 1.336 4.011 6.760 1.00 0.00 N ATOM 1156 CA TRP A 79 2.292 4.988 6.252 1.00 0.00 C ATOM 1157 C TRP A 79 1.584 6.079 5.455 1.00 0.00 C ATOM 1158 O TRP A 79 1.921 7.259 5.565 1.00 0.00 O ATOM 1159 CB TRP A 79 3.340 4.299 5.377 1.00 0.00 C ATOM 1160 CG TRP A 79 3.964 5.213 4.366 1.00 0.00 C ATOM 1161 CD1 TRP A 79 4.777 6.281 4.619 1.00 0.00 C ATOM 1162 CD2 TRP A 79 3.824 5.141 2.943 1.00 0.00 C ATOM 1163 NE1 TRP A 79 5.151 6.877 3.439 1.00 0.00 N ATOM 1164 CE2 TRP A 79 4.580 6.196 2.396 1.00 0.00 C ATOM 1165 CE3 TRP A 79 3.136 4.286 2.078 1.00 0.00 C ATOM 1166 CZ2 TRP A 79 4.664 6.418 1.024 1.00 0.00 C ATOM 1167 CZ3 TRP A 79 3.220 4.508 0.717 1.00 0.00 C ATOM 1168 CH2 TRP A 79 3.980 5.566 0.200 1.00 0.00 C ATOM 0 H TRP A 79 1.524 3.049 6.477 1.00 0.00 H new ATOM 0 HA TRP A 79 2.788 5.451 7.105 1.00 0.00 H new ATOM 0 HB2 TRP A 79 4.122 3.887 6.015 1.00 0.00 H new ATOM 0 HB3 TRP A 79 2.876 3.459 4.860 1.00 0.00 H new ATOM 0 HD1 TRP A 79 5.081 6.609 5.602 1.00 0.00 H new ATOM 0 HE1 TRP A 79 5.756 7.694 3.353 1.00 0.00 H new ATOM 0 HE3 TRP A 79 2.549 3.467 2.466 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 5.248 7.234 0.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 2.691 3.855 0.039 1.00 0.00 H new ATOM 0 HH2 TRP A 79 4.027 5.712 -0.869 1.00 0.00 H new ATOM 1179 N LEU A 80 0.603 5.678 4.654 1.00 0.00 N ATOM 1180 CA LEU A 80 -0.153 6.623 3.839 1.00 0.00 C ATOM 1181 C LEU A 80 -0.739 7.738 4.700 1.00 0.00 C ATOM 1182 O LEU A 80 -0.762 8.901 4.296 1.00 0.00 O ATOM 1183 CB LEU A 80 -1.273 5.898 3.090 1.00 0.00 C ATOM 1184 CG LEU A 80 -0.865 5.179 1.805 1.00 0.00 C ATOM 1185 CD1 LEU A 80 -1.920 4.159 1.406 1.00 0.00 C ATOM 1186 CD2 LEU A 80 -0.637 6.181 0.682 1.00 0.00 C ATOM 0 H LEU A 80 0.312 4.706 4.551 1.00 0.00 H new ATOM 0 HA LEU A 80 0.530 7.069 3.116 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.721 5.168 3.765 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.049 6.624 2.846 1.00 0.00 H new ATOM 0 HG LEU A 80 0.071 4.651 1.989 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.612 3.657 0.489 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.034 3.423 2.202 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.871 4.665 1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.347 5.651 -0.225 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.556 6.738 0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.156 6.873 0.967 1.00 0.00 H new ATOM 1198 N LEU A 81 -1.209 7.375 5.888 1.00 0.00 N ATOM 1199 CA LEU A 81 -1.794 8.345 6.808 1.00 0.00 C ATOM 1200 C LEU A 81 -0.804 9.462 7.122 1.00 0.00 C ATOM 1201 O LEU A 81 -1.164 10.639 7.132 1.00 0.00 O ATOM 1202 CB LEU A 81 -2.228 7.654 8.101 1.00 0.00 C ATOM 1203 CG LEU A 81 -3.470 6.766 8.004 1.00 0.00 C ATOM 1204 CD1 LEU A 81 -3.797 6.156 9.357 1.00 0.00 C ATOM 1205 CD2 LEU A 81 -4.654 7.562 7.474 1.00 0.00 C ATOM 0 H LEU A 81 -1.197 6.417 6.237 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.668 8.784 6.327 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.398 7.045 8.460 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.411 8.420 8.855 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.261 5.956 7.305 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.683 5.528 9.268 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.956 5.551 9.696 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.987 6.951 10.078 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.529 6.915 7.411 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.865 8.393 8.147 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.418 7.949 6.483 1.00 0.00 H new ATOM 1217 N GLU A 82 0.445 9.085 7.377 1.00 0.00 N ATOM 1218 CA GLU A 82 1.487 10.056 7.691 1.00 0.00 C ATOM 1219 C GLU A 82 1.511 11.180 6.660 1.00 0.00 C ATOM 1220 O GLU A 82 1.877 12.314 6.971 1.00 0.00 O ATOM 1221 CB GLU A 82 2.854 9.370 7.746 1.00 0.00 C ATOM 1222 CG GLU A 82 3.060 8.523 8.990 1.00 0.00 C ATOM 1223 CD GLU A 82 3.440 9.351 10.203 1.00 0.00 C ATOM 1224 OE1 GLU A 82 4.637 9.674 10.351 1.00 0.00 O ATOM 1225 OE2 GLU A 82 2.538 9.675 11.004 1.00 0.00 O ATOM 0 H GLU A 82 0.760 8.115 7.372 1.00 0.00 H new ATOM 0 HA GLU A 82 1.265 10.487 8.667 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.971 8.740 6.864 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.634 10.130 7.701 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.145 7.970 9.204 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.840 7.786 8.798 1.00 0.00 H new ATOM 1232 N CYS A 83 1.118 10.858 5.432 1.00 0.00 N ATOM 1233 CA CYS A 83 1.096 11.840 4.354 1.00 0.00 C ATOM 1234 C CYS A 83 -0.178 12.676 4.408 1.00 0.00 C ATOM 1235 O CYS A 83 -0.221 13.796 3.897 1.00 0.00 O ATOM 1236 CB CYS A 83 1.205 11.141 2.998 1.00 0.00 C ATOM 1237 SG CYS A 83 2.306 9.707 2.993 1.00 0.00 S ATOM 0 H CYS A 83 0.810 9.925 5.159 1.00 0.00 H new ATOM 0 HA CYS A 83 1.951 12.504 4.482 1.00 0.00 H new ATOM 0 HB2 CYS A 83 0.211 10.823 2.684 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.558 11.859 2.258 1.00 0.00 H new ATOM 0 HG CYS A 83 1.990 8.914 3.973 1.00 0.00 H new ATOM 1243 N PHE A 84 -1.216 12.125 5.028 1.00 0.00 N ATOM 1244 CA PHE A 84 -2.493 12.820 5.146 1.00 0.00 C ATOM 1245 C PHE A 84 -2.502 13.738 6.364 1.00 0.00 C ATOM 1246 O PHE A 84 -3.269 14.700 6.426 1.00 0.00 O ATOM 1247 CB PHE A 84 -3.639 11.811 5.245 1.00 0.00 C ATOM 1248 CG PHE A 84 -3.641 10.795 4.139 1.00 0.00 C ATOM 1249 CD1 PHE A 84 -2.910 11.010 2.982 1.00 0.00 C ATOM 1250 CD2 PHE A 84 -4.374 9.625 4.256 1.00 0.00 C ATOM 1251 CE1 PHE A 84 -2.910 10.077 1.962 1.00 0.00 C ATOM 1252 CE2 PHE A 84 -4.378 8.688 3.239 1.00 0.00 C ATOM 1253 CZ PHE A 84 -3.645 8.914 2.092 1.00 0.00 C ATOM 0 H PHE A 84 -1.198 11.200 5.456 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.631 13.430 4.253 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.575 11.294 6.202 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.587 12.348 5.236 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.333 11.917 2.876 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.949 9.443 5.152 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -2.336 10.257 1.065 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.954 7.780 3.342 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.646 8.183 1.297 1.00 0.00 H new ATOM 1263 N LYS A 85 -1.645 13.434 7.333 1.00 0.00 N ATOM 1264 CA LYS A 85 -1.552 14.231 8.551 1.00 0.00 C ATOM 1265 C LYS A 85 -0.456 15.284 8.429 1.00 0.00 C ATOM 1266 O LYS A 85 -0.574 16.385 8.969 1.00 0.00 O ATOM 1267 CB LYS A 85 -1.276 13.329 9.755 1.00 0.00 C ATOM 1268 CG LYS A 85 -1.113 14.089 11.060 1.00 0.00 C ATOM 1269 CD LYS A 85 -1.445 13.217 12.259 1.00 0.00 C ATOM 1270 CE LYS A 85 -0.463 12.065 12.400 1.00 0.00 C ATOM 1271 NZ LYS A 85 0.816 12.500 13.028 1.00 0.00 N ATOM 0 H LYS A 85 -1.004 12.641 7.299 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.505 14.739 8.697 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -2.094 12.616 9.859 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.372 12.751 9.566 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.089 14.452 11.145 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.762 14.965 11.055 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -1.430 13.822 13.165 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -2.456 12.824 12.155 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.913 11.276 13.002 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -0.259 11.639 11.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 1.459 11.686 13.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 1.259 13.235 12.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 0.625 12.883 13.976 1.00 0.00 H new ATOM 1285 N THR A 86 0.612 14.941 7.716 1.00 0.00 N ATOM 1286 CA THR A 86 1.730 15.857 7.523 1.00 0.00 C ATOM 1287 C THR A 86 1.624 16.580 6.185 1.00 0.00 C ATOM 1288 O THR A 86 2.183 17.662 6.006 1.00 0.00 O ATOM 1289 CB THR A 86 3.080 15.118 7.588 1.00 0.00 C ATOM 1290 OG1 THR A 86 3.337 14.457 6.344 1.00 0.00 O ATOM 1291 CG2 THR A 86 3.085 14.100 8.719 1.00 0.00 C ATOM 0 H THR A 86 0.727 14.035 7.262 1.00 0.00 H new ATOM 0 HA THR A 86 1.684 16.586 8.332 1.00 0.00 H new ATOM 0 HB THR A 86 3.863 15.853 7.777 1.00 0.00 H new ATOM 0 HG1 THR A 86 2.768 13.662 6.272 1.00 0.00 H new ATOM 0 HG21 THR A 86 4.048 13.590 8.746 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.918 14.610 9.668 1.00 0.00 H new ATOM 0 HG23 THR A 86 2.293 13.370 8.555 1.00 0.00 H new ATOM 1299 N LYS A 87 0.902 15.976 5.247 1.00 0.00 N ATOM 1300 CA LYS A 87 0.720 16.562 3.925 1.00 0.00 C ATOM 1301 C LYS A 87 2.055 16.694 3.200 1.00 0.00 C ATOM 1302 O LYS A 87 2.292 17.670 2.487 1.00 0.00 O ATOM 1303 CB LYS A 87 0.053 17.935 4.041 1.00 0.00 C ATOM 1304 CG LYS A 87 -1.386 17.873 4.524 1.00 0.00 C ATOM 1305 CD LYS A 87 -1.469 17.953 6.039 1.00 0.00 C ATOM 1306 CE LYS A 87 -2.903 18.145 6.509 1.00 0.00 C ATOM 1307 NZ LYS A 87 -3.273 19.585 6.585 1.00 0.00 N ATOM 0 H LYS A 87 0.433 15.080 5.379 1.00 0.00 H new ATOM 0 HA LYS A 87 0.076 15.899 3.347 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.631 18.554 4.727 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.080 18.426 3.068 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.954 18.692 4.084 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.846 16.946 4.182 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.061 17.041 6.476 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -0.854 18.780 6.395 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.581 17.631 5.827 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.029 17.685 7.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.257 19.674 6.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -2.643 20.070 7.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.178 20.018 5.644 1.00 0.00 H new ATOM 1321 N SER A 88 2.925 15.706 3.385 1.00 0.00 N ATOM 1322 CA SER A 88 4.237 15.714 2.750 1.00 0.00 C ATOM 1323 C SER A 88 4.564 14.344 2.162 1.00 0.00 C ATOM 1324 O SER A 88 3.766 13.411 2.251 1.00 0.00 O ATOM 1325 CB SER A 88 5.314 16.117 3.760 1.00 0.00 C ATOM 1326 OG SER A 88 5.194 17.483 4.115 1.00 0.00 O ATOM 0 H SER A 88 2.744 14.890 3.970 1.00 0.00 H new ATOM 0 HA SER A 88 4.217 16.443 1.940 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.230 15.497 4.653 1.00 0.00 H new ATOM 0 HB3 SER A 88 6.301 15.933 3.336 1.00 0.00 H new ATOM 0 HG SER A 88 5.892 17.715 4.762 1.00 0.00 H new ATOM 1332 N PHE A 89 5.743 14.232 1.559 1.00 0.00 N ATOM 1333 CA PHE A 89 6.176 12.978 0.954 1.00 0.00 C ATOM 1334 C PHE A 89 7.074 12.196 1.908 1.00 0.00 C ATOM 1335 O PHE A 89 8.299 12.303 1.853 1.00 0.00 O ATOM 1336 CB PHE A 89 6.918 13.249 -0.356 1.00 0.00 C ATOM 1337 CG PHE A 89 6.824 12.121 -1.343 1.00 0.00 C ATOM 1338 CD1 PHE A 89 7.207 10.838 -0.987 1.00 0.00 C ATOM 1339 CD2 PHE A 89 6.354 12.343 -2.627 1.00 0.00 C ATOM 1340 CE1 PHE A 89 7.122 9.797 -1.892 1.00 0.00 C ATOM 1341 CE2 PHE A 89 6.265 11.307 -3.537 1.00 0.00 C ATOM 1342 CZ PHE A 89 6.651 10.032 -3.169 1.00 0.00 C ATOM 0 H PHE A 89 6.415 14.994 1.476 1.00 0.00 H new ATOM 0 HA PHE A 89 5.290 12.379 0.744 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.516 14.154 -0.811 1.00 0.00 H new ATOM 0 HB3 PHE A 89 7.968 13.442 -0.136 1.00 0.00 H new ATOM 0 HD1 PHE A 89 7.577 10.649 0.010 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.053 13.338 -2.920 1.00 0.00 H new ATOM 0 HE1 PHE A 89 7.423 8.801 -1.601 1.00 0.00 H new ATOM 0 HE2 PHE A 89 5.894 11.493 -4.534 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.584 9.221 -3.879 1.00 0.00 H new ATOM 1352 N VAL A 90 6.455 11.409 2.782 1.00 0.00 N ATOM 1353 CA VAL A 90 7.197 10.608 3.748 1.00 0.00 C ATOM 1354 C VAL A 90 7.750 9.342 3.103 1.00 0.00 C ATOM 1355 O VAL A 90 7.045 8.611 2.408 1.00 0.00 O ATOM 1356 CB VAL A 90 6.314 10.215 4.948 1.00 0.00 C ATOM 1357 CG1 VAL A 90 4.894 9.917 4.490 1.00 0.00 C ATOM 1358 CG2 VAL A 90 6.909 9.021 5.679 1.00 0.00 C ATOM 0 H VAL A 90 5.442 11.309 2.841 1.00 0.00 H new ATOM 0 HA VAL A 90 8.024 11.224 4.101 1.00 0.00 H new ATOM 0 HB VAL A 90 6.278 11.055 5.642 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.284 9.641 5.351 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.472 10.802 4.015 1.00 0.00 H new ATOM 0 HG13 VAL A 90 4.907 9.094 3.776 1.00 0.00 H new ATOM 0 HG21 VAL A 90 6.272 8.757 6.524 1.00 0.00 H new ATOM 0 HG22 VAL A 90 6.977 8.173 4.997 1.00 0.00 H new ATOM 0 HG23 VAL A 90 7.905 9.276 6.041 1.00 0.00 H new ATOM 1368 N PRO A 91 9.044 9.076 3.338 1.00 0.00 N ATOM 1369 CA PRO A 91 9.721 7.897 2.789 1.00 0.00 C ATOM 1370 C PRO A 91 9.237 6.600 3.428 1.00 0.00 C ATOM 1371 O PRO A 91 8.318 6.607 4.247 1.00 0.00 O ATOM 1372 CB PRO A 91 11.193 8.144 3.129 1.00 0.00 C ATOM 1373 CG PRO A 91 11.162 9.037 4.321 1.00 0.00 C ATOM 1374 CD PRO A 91 9.944 9.904 4.157 1.00 0.00 C ATOM 0 HA PRO A 91 9.529 7.776 1.723 1.00 0.00 H new ATOM 0 HB2 PRO A 91 11.711 7.210 3.347 1.00 0.00 H new ATOM 0 HB3 PRO A 91 11.718 8.613 2.297 1.00 0.00 H new ATOM 0 HG2 PRO A 91 11.107 8.457 5.242 1.00 0.00 H new ATOM 0 HG3 PRO A 91 12.067 9.642 4.379 1.00 0.00 H new ATOM 0 HD2 PRO A 91 9.496 10.154 5.119 1.00 0.00 H new ATOM 0 HD3 PRO A 91 10.184 10.846 3.663 1.00 0.00 H new ATOM 1382 N TRP A 92 9.861 5.491 3.049 1.00 0.00 N ATOM 1383 CA TRP A 92 9.493 4.186 3.586 1.00 0.00 C ATOM 1384 C TRP A 92 10.256 3.892 4.873 1.00 0.00 C ATOM 1385 O TRP A 92 11.443 4.196 4.983 1.00 0.00 O ATOM 1386 CB TRP A 92 9.768 3.091 2.554 1.00 0.00 C ATOM 1387 CG TRP A 92 8.657 2.916 1.562 1.00 0.00 C ATOM 1388 CD1 TRP A 92 7.330 3.168 1.765 1.00 0.00 C ATOM 1389 CD2 TRP A 92 8.777 2.450 0.214 1.00 0.00 C ATOM 1390 NE1 TRP A 92 6.618 2.887 0.624 1.00 0.00 N ATOM 1391 CE2 TRP A 92 7.483 2.446 -0.342 1.00 0.00 C ATOM 1392 CE3 TRP A 92 9.852 2.039 -0.578 1.00 0.00 C ATOM 1393 CZ2 TRP A 92 7.238 2.044 -1.653 1.00 0.00 C ATOM 1394 CZ3 TRP A 92 9.607 1.640 -1.878 1.00 0.00 C ATOM 1395 CH2 TRP A 92 8.309 1.646 -2.406 1.00 0.00 C ATOM 0 H TRP A 92 10.624 5.469 2.372 1.00 0.00 H new ATOM 0 HA TRP A 92 8.427 4.202 3.813 1.00 0.00 H new ATOM 0 HB2 TRP A 92 10.688 3.328 2.020 1.00 0.00 H new ATOM 0 HB3 TRP A 92 9.935 2.147 3.072 1.00 0.00 H new ATOM 0 HD1 TRP A 92 6.903 3.534 2.687 1.00 0.00 H new ATOM 0 HE1 TRP A 92 5.609 2.990 0.514 1.00 0.00 H new ATOM 0 HE3 TRP A 92 10.856 2.033 -0.181 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 6.238 2.046 -2.061 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 10.430 1.318 -2.498 1.00 0.00 H new ATOM 0 HH2 TRP A 92 8.151 1.330 -3.427 1.00 0.00 H new ATOM 1406 N GLN A 93 9.567 3.299 5.842 1.00 0.00 N ATOM 1407 CA GLN A 93 10.181 2.965 7.121 1.00 0.00 C ATOM 1408 C GLN A 93 10.169 1.458 7.354 1.00 0.00 C ATOM 1409 O GLN A 93 9.371 0.722 6.773 1.00 0.00 O ATOM 1410 CB GLN A 93 9.452 3.675 8.263 1.00 0.00 C ATOM 1411 CG GLN A 93 9.916 5.106 8.485 1.00 0.00 C ATOM 1412 CD GLN A 93 9.908 5.927 7.211 1.00 0.00 C ATOM 1413 OE1 GLN A 93 10.951 6.154 6.598 1.00 0.00 O ATOM 1414 NE2 GLN A 93 8.726 6.377 6.804 1.00 0.00 N ATOM 0 H GLN A 93 8.583 3.040 5.766 1.00 0.00 H new ATOM 0 HA GLN A 93 11.217 3.302 7.096 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.382 3.677 8.054 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.596 3.108 9.183 1.00 0.00 H new ATOM 0 HG2 GLN A 93 9.271 5.582 9.224 1.00 0.00 H new ATOM 0 HG3 GLN A 93 10.924 5.097 8.900 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.886 6.165 7.343 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.658 6.934 5.952 1.00 0.00 H new ATOM 1423 N PRO A 94 11.074 0.986 8.225 1.00 0.00 N ATOM 1424 CA PRO A 94 11.187 -0.438 8.555 1.00 0.00 C ATOM 1425 C PRO A 94 9.998 -0.941 9.367 1.00 0.00 C ATOM 1426 O PRO A 94 9.843 -2.144 9.577 1.00 0.00 O ATOM 1427 CB PRO A 94 12.471 -0.509 9.385 1.00 0.00 C ATOM 1428 CG PRO A 94 12.617 0.852 9.973 1.00 0.00 C ATOM 1429 CD PRO A 94 12.056 1.805 8.954 1.00 0.00 C ATOM 0 HA PRO A 94 11.206 -1.063 7.662 1.00 0.00 H new ATOM 0 HB2 PRO A 94 12.399 -1.270 10.162 1.00 0.00 H new ATOM 0 HB3 PRO A 94 13.330 -0.767 8.765 1.00 0.00 H new ATOM 0 HG2 PRO A 94 12.078 0.929 10.918 1.00 0.00 H new ATOM 0 HG3 PRO A 94 13.663 1.076 10.183 1.00 0.00 H new ATOM 0 HD2 PRO A 94 11.587 2.668 9.426 1.00 0.00 H new ATOM 0 HD3 PRO A 94 12.832 2.187 8.291 1.00 0.00 H new ATOM 1437 N ARG A 95 9.162 -0.013 9.821 1.00 0.00 N ATOM 1438 CA ARG A 95 7.988 -0.363 10.611 1.00 0.00 C ATOM 1439 C ARG A 95 6.737 -0.400 9.738 1.00 0.00 C ATOM 1440 O ARG A 95 5.782 -1.119 10.034 1.00 0.00 O ATOM 1441 CB ARG A 95 7.797 0.638 11.752 1.00 0.00 C ATOM 1442 CG ARG A 95 6.348 0.813 12.173 1.00 0.00 C ATOM 1443 CD ARG A 95 6.240 1.360 13.587 1.00 0.00 C ATOM 1444 NE ARG A 95 6.228 0.295 14.587 1.00 0.00 N ATOM 1445 CZ ARG A 95 6.481 0.494 15.876 1.00 0.00 C ATOM 1446 NH1 ARG A 95 6.764 1.711 16.319 1.00 0.00 N ATOM 1447 NH2 ARG A 95 6.451 -0.526 16.724 1.00 0.00 N ATOM 0 H ARG A 95 9.276 0.987 9.655 1.00 0.00 H new ATOM 0 HA ARG A 95 8.147 -1.356 11.031 1.00 0.00 H new ATOM 0 HB2 ARG A 95 8.379 0.310 12.613 1.00 0.00 H new ATOM 0 HB3 ARG A 95 8.197 1.605 11.446 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.846 1.489 11.481 1.00 0.00 H new ATOM 0 HG3 ARG A 95 5.832 -0.145 12.112 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.077 2.030 13.781 1.00 0.00 H new ATOM 0 HD3 ARG A 95 5.330 1.953 13.678 1.00 0.00 H new ATOM 0 HE ARG A 95 6.014 -0.653 14.279 1.00 0.00 H new ATOM 0 HH11 ARG A 95 6.788 2.497 15.670 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.958 1.861 17.309 1.00 0.00 H new ATOM 0 HH21 ARG A 95 6.234 -1.464 16.386 1.00 0.00 H new ATOM 0 HH22 ARG A 95 6.645 -0.372 17.713 1.00 0.00 H new ATOM 1461 N PHE A 96 6.749 0.379 8.662 1.00 0.00 N ATOM 1462 CA PHE A 96 5.615 0.437 7.747 1.00 0.00 C ATOM 1463 C PHE A 96 5.710 -0.664 6.694 1.00 0.00 C ATOM 1464 O PHE A 96 4.741 -1.378 6.439 1.00 0.00 O ATOM 1465 CB PHE A 96 5.552 1.806 7.065 1.00 0.00 C ATOM 1466 CG PHE A 96 5.377 2.946 8.027 1.00 0.00 C ATOM 1467 CD1 PHE A 96 4.527 2.828 9.115 1.00 0.00 C ATOM 1468 CD2 PHE A 96 6.061 4.137 7.842 1.00 0.00 C ATOM 1469 CE1 PHE A 96 4.364 3.875 10.002 1.00 0.00 C ATOM 1470 CE2 PHE A 96 5.902 5.187 8.726 1.00 0.00 C ATOM 1471 CZ PHE A 96 5.052 5.057 9.806 1.00 0.00 C ATOM 0 H PHE A 96 7.532 0.979 8.402 1.00 0.00 H new ATOM 0 HA PHE A 96 4.704 0.285 8.326 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.467 1.961 6.493 1.00 0.00 H new ATOM 0 HB3 PHE A 96 4.726 1.811 6.353 1.00 0.00 H new ATOM 0 HD1 PHE A 96 3.985 1.907 9.272 1.00 0.00 H new ATOM 0 HD2 PHE A 96 6.726 4.246 6.998 1.00 0.00 H new ATOM 0 HE1 PHE A 96 3.700 3.769 10.847 1.00 0.00 H new ATOM 0 HE2 PHE A 96 6.443 6.109 8.572 1.00 0.00 H new ATOM 0 HZ PHE A 96 4.925 5.878 10.496 1.00 0.00 H new ATOM 1481 N MET A 97 6.884 -0.793 6.085 1.00 0.00 N ATOM 1482 CA MET A 97 7.105 -1.807 5.060 1.00 0.00 C ATOM 1483 C MET A 97 6.938 -3.209 5.637 1.00 0.00 C ATOM 1484 O MET A 97 7.246 -3.450 6.804 1.00 0.00 O ATOM 1485 CB MET A 97 8.503 -1.655 4.456 1.00 0.00 C ATOM 1486 CG MET A 97 8.795 -0.253 3.945 1.00 0.00 C ATOM 1487 SD MET A 97 7.846 0.158 2.467 1.00 0.00 S ATOM 1488 CE MET A 97 8.625 -0.908 1.257 1.00 0.00 C ATOM 0 H MET A 97 7.696 -0.209 6.283 1.00 0.00 H new ATOM 0 HA MET A 97 6.360 -1.665 4.277 1.00 0.00 H new ATOM 0 HB2 MET A 97 9.246 -1.921 5.208 1.00 0.00 H new ATOM 0 HB3 MET A 97 8.614 -2.363 3.635 1.00 0.00 H new ATOM 0 HG2 MET A 97 8.570 0.470 4.729 1.00 0.00 H new ATOM 0 HG3 MET A 97 9.859 -0.165 3.725 1.00 0.00 H new ATOM 0 HE1 MET A 97 8.208 -0.705 0.271 1.00 0.00 H new ATOM 0 HE2 MET A 97 9.698 -0.719 1.243 1.00 0.00 H new ATOM 0 HE3 MET A 97 8.444 -1.950 1.520 1.00 0.00 H new ATOM 1498 N ILE A 98 6.448 -4.128 4.813 1.00 0.00 N ATOM 1499 CA ILE A 98 6.241 -5.506 5.242 1.00 0.00 C ATOM 1500 C ILE A 98 7.169 -6.459 4.497 1.00 0.00 C ATOM 1501 O ILE A 98 7.746 -7.370 5.091 1.00 0.00 O ATOM 1502 CB ILE A 98 4.783 -5.950 5.022 1.00 0.00 C ATOM 1503 CG1 ILE A 98 3.837 -5.122 5.893 1.00 0.00 C ATOM 1504 CG2 ILE A 98 4.630 -7.433 5.326 1.00 0.00 C ATOM 1505 CD1 ILE A 98 2.376 -5.315 5.552 1.00 0.00 C ATOM 0 H ILE A 98 6.187 -3.944 3.844 1.00 0.00 H new ATOM 0 HA ILE A 98 6.467 -5.543 6.308 1.00 0.00 H new ATOM 0 HB ILE A 98 4.522 -5.784 3.977 1.00 0.00 H new ATOM 0 HG12 ILE A 98 3.995 -5.385 6.939 1.00 0.00 H new ATOM 0 HG13 ILE A 98 4.090 -4.067 5.788 1.00 0.00 H new ATOM 0 HG21 ILE A 98 3.594 -7.732 5.166 1.00 0.00 H new ATOM 0 HG22 ILE A 98 5.280 -8.008 4.667 1.00 0.00 H new ATOM 0 HG23 ILE A 98 4.906 -7.622 6.363 1.00 0.00 H new ATOM 0 HD11 ILE A 98 1.764 -4.697 6.210 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.203 -5.024 4.516 1.00 0.00 H new ATOM 0 HD13 ILE A 98 2.107 -6.363 5.685 1.00 0.00 H new ATOM 1517 N HIS A 99 7.310 -6.241 3.193 1.00 0.00 N ATOM 1518 CA HIS A 99 8.171 -7.080 2.367 1.00 0.00 C ATOM 1519 C HIS A 99 8.908 -6.243 1.327 1.00 0.00 C ATOM 1520 O HIS A 99 8.321 -5.808 0.336 1.00 0.00 O ATOM 1521 CB HIS A 99 7.348 -8.166 1.674 1.00 0.00 C ATOM 1522 CG HIS A 99 8.179 -9.158 0.919 1.00 0.00 C ATOM 1523 ND1 HIS A 99 8.842 -10.202 1.528 1.00 0.00 N ATOM 1524 CD2 HIS A 99 8.450 -9.261 -0.403 1.00 0.00 C ATOM 1525 CE1 HIS A 99 9.488 -10.903 0.614 1.00 0.00 C ATOM 1526 NE2 HIS A 99 9.266 -10.354 -0.567 1.00 0.00 N ATOM 0 H HIS A 99 6.840 -5.491 2.686 1.00 0.00 H new ATOM 0 HA HIS A 99 8.908 -7.552 3.017 1.00 0.00 H new ATOM 0 HB2 HIS A 99 6.756 -8.694 2.422 1.00 0.00 H new ATOM 0 HB3 HIS A 99 6.646 -7.695 0.986 1.00 0.00 H new ATOM 0 HD2 HIS A 99 8.092 -8.606 -1.183 1.00 0.00 H new ATOM 0 HE1 HIS A 99 10.095 -11.777 0.800 1.00 0.00 H new ATOM 0 HE2 HIS A 99 9.640 -10.687 -1.456 1.00 0.00 H new ATOM 1534 N MET A 100 10.198 -6.020 1.559 1.00 0.00 N ATOM 1535 CA MET A 100 11.015 -5.235 0.641 1.00 0.00 C ATOM 1536 C MET A 100 11.834 -6.143 -0.271 1.00 0.00 C ATOM 1537 O MET A 100 12.546 -7.032 0.199 1.00 0.00 O ATOM 1538 CB MET A 100 11.945 -4.304 1.421 1.00 0.00 C ATOM 1539 CG MET A 100 11.337 -2.941 1.711 1.00 0.00 C ATOM 1540 SD MET A 100 12.579 -1.700 2.122 1.00 0.00 S ATOM 1541 CE MET A 100 12.711 -1.928 3.894 1.00 0.00 C ATOM 0 H MET A 100 10.700 -6.372 2.375 1.00 0.00 H new ATOM 0 HA MET A 100 10.347 -4.635 0.022 1.00 0.00 H new ATOM 0 HB2 MET A 100 12.215 -4.780 2.364 1.00 0.00 H new ATOM 0 HB3 MET A 100 12.867 -4.169 0.856 1.00 0.00 H new ATOM 0 HG2 MET A 100 10.770 -2.608 0.842 1.00 0.00 H new ATOM 0 HG3 MET A 100 10.631 -3.031 2.537 1.00 0.00 H new ATOM 0 HE1 MET A 100 12.173 -1.129 4.405 1.00 0.00 H new ATOM 0 HE2 MET A 100 12.280 -2.890 4.170 1.00 0.00 H new ATOM 0 HE3 MET A 100 13.761 -1.903 4.187 1.00 0.00 H new ATOM 1551 N CYS A 101 11.728 -5.915 -1.575 1.00 0.00 N ATOM 1552 CA CYS A 101 12.458 -6.714 -2.553 1.00 0.00 C ATOM 1553 C CYS A 101 13.928 -6.836 -2.166 1.00 0.00 C ATOM 1554 O CYS A 101 14.452 -6.060 -1.367 1.00 0.00 O ATOM 1555 CB CYS A 101 12.334 -6.093 -3.945 1.00 0.00 C ATOM 1556 SG CYS A 101 10.916 -6.688 -4.895 1.00 0.00 S ATOM 0 H CYS A 101 11.144 -5.183 -1.980 1.00 0.00 H new ATOM 0 HA CYS A 101 12.021 -7.712 -2.569 1.00 0.00 H new ATOM 0 HB2 CYS A 101 12.261 -5.010 -3.843 1.00 0.00 H new ATOM 0 HB3 CYS A 101 13.246 -6.299 -4.506 1.00 0.00 H new ATOM 0 HG CYS A 101 10.895 -6.104 -6.056 1.00 0.00 H new ATOM 1562 N PRO A 102 14.612 -7.835 -2.744 1.00 0.00 N ATOM 1563 CA PRO A 102 16.031 -8.084 -2.475 1.00 0.00 C ATOM 1564 C PRO A 102 16.930 -7.000 -3.058 1.00 0.00 C ATOM 1565 O PRO A 102 18.117 -6.925 -2.739 1.00 0.00 O ATOM 1566 CB PRO A 102 16.294 -9.425 -3.164 1.00 0.00 C ATOM 1567 CG PRO A 102 15.267 -9.505 -4.240 1.00 0.00 C ATOM 1568 CD PRO A 102 14.051 -8.799 -3.706 1.00 0.00 C ATOM 0 HA PRO A 102 16.248 -8.089 -1.407 1.00 0.00 H new ATOM 0 HB2 PRO A 102 17.303 -9.468 -3.575 1.00 0.00 H new ATOM 0 HB3 PRO A 102 16.200 -10.255 -2.464 1.00 0.00 H new ATOM 0 HG2 PRO A 102 15.623 -9.031 -5.155 1.00 0.00 H new ATOM 0 HG3 PRO A 102 15.039 -10.542 -4.486 1.00 0.00 H new ATOM 0 HD2 PRO A 102 13.496 -8.298 -4.499 1.00 0.00 H new ATOM 0 HD3 PRO A 102 13.362 -9.493 -3.224 1.00 0.00 H new ATOM 1576 N SER A 103 16.358 -6.161 -3.916 1.00 0.00 N ATOM 1577 CA SER A 103 17.109 -5.082 -4.547 1.00 0.00 C ATOM 1578 C SER A 103 16.954 -3.781 -3.765 1.00 0.00 C ATOM 1579 O SER A 103 17.814 -2.901 -3.821 1.00 0.00 O ATOM 1580 CB SER A 103 16.641 -4.882 -5.990 1.00 0.00 C ATOM 1581 OG SER A 103 16.874 -6.044 -6.767 1.00 0.00 O ATOM 0 H SER A 103 15.377 -6.208 -4.190 1.00 0.00 H new ATOM 0 HA SER A 103 18.163 -5.360 -4.549 1.00 0.00 H new ATOM 0 HB2 SER A 103 15.578 -4.640 -6.001 1.00 0.00 H new ATOM 0 HB3 SER A 103 17.165 -4.034 -6.431 1.00 0.00 H new ATOM 0 HG SER A 103 16.565 -5.892 -7.684 1.00 0.00 H new ATOM 1587 N THR A 104 15.849 -3.666 -3.034 1.00 0.00 N ATOM 1588 CA THR A 104 15.578 -2.474 -2.241 1.00 0.00 C ATOM 1589 C THR A 104 15.960 -2.686 -0.781 1.00 0.00 C ATOM 1590 O THR A 104 16.365 -1.750 -0.092 1.00 0.00 O ATOM 1591 CB THR A 104 14.093 -2.073 -2.319 1.00 0.00 C ATOM 1592 OG1 THR A 104 13.768 -1.648 -3.647 1.00 0.00 O ATOM 1593 CG2 THR A 104 13.781 -0.956 -1.334 1.00 0.00 C ATOM 0 H THR A 104 15.127 -4.385 -2.975 1.00 0.00 H new ATOM 0 HA THR A 104 16.186 -1.671 -2.659 1.00 0.00 H new ATOM 0 HB THR A 104 13.491 -2.944 -2.059 1.00 0.00 H new ATOM 0 HG1 THR A 104 12.822 -1.397 -3.688 1.00 0.00 H new ATOM 0 HG21 THR A 104 12.727 -0.690 -1.408 1.00 0.00 H new ATOM 0 HG22 THR A 104 14.000 -1.293 -0.321 1.00 0.00 H new ATOM 0 HG23 THR A 104 14.392 -0.084 -1.567 1.00 0.00 H new ATOM 1601 N LYS A 105 15.828 -3.923 -0.314 1.00 0.00 N ATOM 1602 CA LYS A 105 16.161 -4.260 1.065 1.00 0.00 C ATOM 1603 C LYS A 105 17.618 -3.928 1.370 1.00 0.00 C ATOM 1604 O LYS A 105 17.936 -3.416 2.442 1.00 0.00 O ATOM 1605 CB LYS A 105 15.900 -5.745 1.326 1.00 0.00 C ATOM 1606 CG LYS A 105 16.098 -6.152 2.776 1.00 0.00 C ATOM 1607 CD LYS A 105 15.793 -7.626 2.988 1.00 0.00 C ATOM 1608 CE LYS A 105 16.990 -8.498 2.641 1.00 0.00 C ATOM 1609 NZ LYS A 105 17.984 -8.543 3.749 1.00 0.00 N ATOM 0 H LYS A 105 15.493 -4.709 -0.871 1.00 0.00 H new ATOM 0 HA LYS A 105 15.526 -3.665 1.721 1.00 0.00 H new ATOM 0 HB2 LYS A 105 14.880 -5.984 1.026 1.00 0.00 H new ATOM 0 HB3 LYS A 105 16.564 -6.338 0.697 1.00 0.00 H new ATOM 0 HG2 LYS A 105 17.125 -5.945 3.076 1.00 0.00 H new ATOM 0 HG3 LYS A 105 15.452 -5.550 3.415 1.00 0.00 H new ATOM 0 HD2 LYS A 105 15.508 -7.794 4.027 1.00 0.00 H new ATOM 0 HD3 LYS A 105 14.941 -7.915 2.373 1.00 0.00 H new ATOM 0 HE2 LYS A 105 16.650 -9.509 2.417 1.00 0.00 H new ATOM 0 HE3 LYS A 105 17.468 -8.116 1.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 18.784 -9.147 3.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 18.328 -7.582 3.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 17.535 -8.932 4.603 1.00 0.00 H new ATOM 1623 N GLU A 106 18.499 -4.223 0.419 1.00 0.00 N ATOM 1624 CA GLU A 106 19.922 -3.954 0.587 1.00 0.00 C ATOM 1625 C GLU A 106 20.180 -2.457 0.730 1.00 0.00 C ATOM 1626 O GLU A 106 21.049 -2.036 1.494 1.00 0.00 O ATOM 1627 CB GLU A 106 20.712 -4.508 -0.601 1.00 0.00 C ATOM 1628 CG GLU A 106 20.650 -3.626 -1.837 1.00 0.00 C ATOM 1629 CD GLU A 106 21.718 -3.973 -2.856 1.00 0.00 C ATOM 1630 OE1 GLU A 106 22.880 -3.559 -2.662 1.00 0.00 O ATOM 1631 OE2 GLU A 106 21.392 -4.659 -3.847 1.00 0.00 O ATOM 0 H GLU A 106 18.252 -4.648 -0.475 1.00 0.00 H new ATOM 0 HA GLU A 106 20.254 -4.451 1.499 1.00 0.00 H new ATOM 0 HB2 GLU A 106 21.754 -4.634 -0.307 1.00 0.00 H new ATOM 0 HB3 GLU A 106 20.329 -5.497 -0.851 1.00 0.00 H new ATOM 0 HG2 GLU A 106 19.667 -3.723 -2.299 1.00 0.00 H new ATOM 0 HG3 GLU A 106 20.761 -2.583 -1.540 1.00 0.00 H new ATOM 1638 N HIS A 107 19.419 -1.658 -0.011 1.00 0.00 N ATOM 1639 CA HIS A 107 19.565 -0.207 0.033 1.00 0.00 C ATOM 1640 C HIS A 107 19.314 0.321 1.442 1.00 0.00 C ATOM 1641 O HIS A 107 20.009 1.223 1.911 1.00 0.00 O ATOM 1642 CB HIS A 107 18.600 0.453 -0.952 1.00 0.00 C ATOM 1643 CG HIS A 107 18.282 1.878 -0.614 1.00 0.00 C ATOM 1644 ND1 HIS A 107 19.247 2.808 -0.291 1.00 0.00 N ATOM 1645 CD2 HIS A 107 17.098 2.530 -0.553 1.00 0.00 C ATOM 1646 CE1 HIS A 107 18.670 3.970 -0.044 1.00 0.00 C ATOM 1647 NE2 HIS A 107 17.366 3.829 -0.197 1.00 0.00 N ATOM 0 H HIS A 107 18.696 -1.990 -0.649 1.00 0.00 H new ATOM 0 HA HIS A 107 20.588 0.040 -0.251 1.00 0.00 H new ATOM 0 HB2 HIS A 107 19.031 0.413 -1.952 1.00 0.00 H new ATOM 0 HB3 HIS A 107 17.674 -0.121 -0.980 1.00 0.00 H new ATOM 0 HD2 HIS A 107 16.123 2.107 -0.748 1.00 0.00 H new ATOM 0 HE1 HIS A 107 19.178 4.881 0.236 1.00 0.00 H new ATOM 0 HE2 HIS A 107 16.671 4.565 -0.071 1.00 0.00 H new ATOM 1655 N PHE A 108 18.316 -0.245 2.112 1.00 0.00 N ATOM 1656 CA PHE A 108 17.971 0.170 3.467 1.00 0.00 C ATOM 1657 C PHE A 108 19.046 -0.266 4.459 1.00 0.00 C ATOM 1658 O PHE A 108 19.398 0.477 5.375 1.00 0.00 O ATOM 1659 CB PHE A 108 16.618 -0.415 3.874 1.00 0.00 C ATOM 1660 CG PHE A 108 15.454 0.472 3.533 1.00 0.00 C ATOM 1661 CD1 PHE A 108 15.050 0.631 2.217 1.00 0.00 C ATOM 1662 CD2 PHE A 108 14.765 1.147 4.528 1.00 0.00 C ATOM 1663 CE1 PHE A 108 13.980 1.447 1.901 1.00 0.00 C ATOM 1664 CE2 PHE A 108 13.694 1.964 4.217 1.00 0.00 C ATOM 1665 CZ PHE A 108 13.301 2.113 2.902 1.00 0.00 C ATOM 0 H PHE A 108 17.731 -0.993 1.739 1.00 0.00 H new ATOM 0 HA PHE A 108 17.907 1.258 3.482 1.00 0.00 H new ATOM 0 HB2 PHE A 108 16.486 -1.379 3.383 1.00 0.00 H new ATOM 0 HB3 PHE A 108 16.620 -0.601 4.948 1.00 0.00 H new ATOM 0 HD1 PHE A 108 15.577 0.112 1.430 1.00 0.00 H new ATOM 0 HD2 PHE A 108 15.068 1.034 5.558 1.00 0.00 H new ATOM 0 HE1 PHE A 108 13.675 1.564 0.871 1.00 0.00 H new ATOM 0 HE2 PHE A 108 13.166 2.485 5.002 1.00 0.00 H new ATOM 0 HZ PHE A 108 12.464 2.750 2.657 1.00 0.00 H new ATOM 1675 N ALA A 109 19.562 -1.476 4.270 1.00 0.00 N ATOM 1676 CA ALA A 109 20.596 -2.011 5.146 1.00 0.00 C ATOM 1677 C ALA A 109 21.759 -1.034 5.283 1.00 0.00 C ATOM 1678 O ALA A 109 22.236 -0.773 6.388 1.00 0.00 O ATOM 1679 CB ALA A 109 21.090 -3.351 4.622 1.00 0.00 C ATOM 0 H ALA A 109 19.280 -2.104 3.517 1.00 0.00 H new ATOM 0 HA ALA A 109 20.160 -2.158 6.134 1.00 0.00 H new ATOM 0 HB1 ALA A 109 21.862 -3.739 5.286 1.00 0.00 H new ATOM 0 HB2 ALA A 109 20.259 -4.055 4.582 1.00 0.00 H new ATOM 0 HB3 ALA A 109 21.504 -3.221 3.622 1.00 0.00 H new ATOM 1685 N ARG A 110 22.211 -0.496 4.155 1.00 0.00 N ATOM 1686 CA ARG A 110 23.319 0.451 4.150 1.00 0.00 C ATOM 1687 C ARG A 110 22.871 1.815 4.669 1.00 0.00 C ATOM 1688 O ARG A 110 23.589 2.467 5.425 1.00 0.00 O ATOM 1689 CB ARG A 110 23.890 0.593 2.738 1.00 0.00 C ATOM 1690 CG ARG A 110 22.880 1.097 1.720 1.00 0.00 C ATOM 1691 CD ARG A 110 23.489 1.189 0.330 1.00 0.00 C ATOM 1692 NE ARG A 110 23.881 -0.121 -0.184 1.00 0.00 N ATOM 1693 CZ ARG A 110 24.595 -0.292 -1.291 1.00 0.00 C ATOM 1694 NH1 ARG A 110 24.993 0.758 -1.996 1.00 0.00 N ATOM 1695 NH2 ARG A 110 24.912 -1.515 -1.695 1.00 0.00 N ATOM 0 H ARG A 110 21.827 -0.700 3.232 1.00 0.00 H new ATOM 0 HA ARG A 110 24.095 0.067 4.812 1.00 0.00 H new ATOM 0 HB2 ARG A 110 24.738 1.277 2.765 1.00 0.00 H new ATOM 0 HB3 ARG A 110 24.271 -0.374 2.411 1.00 0.00 H new ATOM 0 HG2 ARG A 110 22.019 0.428 1.698 1.00 0.00 H new ATOM 0 HG3 ARG A 110 22.514 2.078 2.024 1.00 0.00 H new ATOM 0 HD2 ARG A 110 22.771 1.645 -0.351 1.00 0.00 H new ATOM 0 HD3 ARG A 110 24.361 1.843 0.359 1.00 0.00 H new ATOM 0 HE ARG A 110 23.591 -0.949 0.335 1.00 0.00 H new ATOM 0 HH11 ARG A 110 24.751 1.700 -1.689 1.00 0.00 H new ATOM 0 HH12 ARG A 110 25.541 0.624 -2.846 1.00 0.00 H new ATOM 0 HH21 ARG A 110 24.607 -2.325 -1.155 1.00 0.00 H new ATOM 0 HH22 ARG A 110 25.460 -1.645 -2.545 1.00 0.00 H new ATOM 1709 N GLU A 111 21.680 2.237 4.256 1.00 0.00 N ATOM 1710 CA GLU A 111 21.138 3.523 4.678 1.00 0.00 C ATOM 1711 C GLU A 111 21.328 3.728 6.178 1.00 0.00 C ATOM 1712 O GLU A 111 21.864 4.747 6.614 1.00 0.00 O ATOM 1713 CB GLU A 111 19.653 3.617 4.323 1.00 0.00 C ATOM 1714 CG GLU A 111 19.393 4.177 2.935 1.00 0.00 C ATOM 1715 CD GLU A 111 19.999 5.553 2.738 1.00 0.00 C ATOM 1716 OE1 GLU A 111 19.386 6.542 3.191 1.00 0.00 O ATOM 1717 OE2 GLU A 111 21.086 5.641 2.131 1.00 0.00 O ATOM 0 H GLU A 111 21.073 1.708 3.630 1.00 0.00 H new ATOM 0 HA GLU A 111 21.680 4.308 4.150 1.00 0.00 H new ATOM 0 HB2 GLU A 111 19.208 2.625 4.394 1.00 0.00 H new ATOM 0 HB3 GLU A 111 19.151 4.245 5.059 1.00 0.00 H new ATOM 0 HG2 GLU A 111 19.801 3.494 2.190 1.00 0.00 H new ATOM 0 HG3 GLU A 111 18.318 4.230 2.764 1.00 0.00 H new ATOM 1724 N TYR A 112 20.884 2.752 6.963 1.00 0.00 N ATOM 1725 CA TYR A 112 21.002 2.825 8.414 1.00 0.00 C ATOM 1726 C TYR A 112 22.320 3.477 8.822 1.00 0.00 C ATOM 1727 O TYR A 112 22.345 4.386 9.651 1.00 0.00 O ATOM 1728 CB TYR A 112 20.901 1.427 9.026 1.00 0.00 C ATOM 1729 CG TYR A 112 19.485 1.012 9.357 1.00 0.00 C ATOM 1730 CD1 TYR A 112 18.464 1.151 8.424 1.00 0.00 C ATOM 1731 CD2 TYR A 112 19.168 0.481 10.601 1.00 0.00 C ATOM 1732 CE1 TYR A 112 17.169 0.774 8.722 1.00 0.00 C ATOM 1733 CE2 TYR A 112 17.876 0.099 10.906 1.00 0.00 C ATOM 1734 CZ TYR A 112 16.880 0.248 9.964 1.00 0.00 C ATOM 1735 OH TYR A 112 15.591 -0.129 10.265 1.00 0.00 O ATOM 0 H TYR A 112 20.439 1.901 6.618 1.00 0.00 H new ATOM 0 HA TYR A 112 20.183 3.439 8.789 1.00 0.00 H new ATOM 0 HB2 TYR A 112 21.330 0.704 8.332 1.00 0.00 H new ATOM 0 HB3 TYR A 112 21.503 1.393 9.934 1.00 0.00 H new ATOM 0 HD1 TYR A 112 18.687 1.561 7.450 1.00 0.00 H new ATOM 0 HD2 TYR A 112 19.945 0.365 11.342 1.00 0.00 H new ATOM 0 HE1 TYR A 112 16.387 0.890 7.986 1.00 0.00 H new ATOM 0 HE2 TYR A 112 17.647 -0.314 11.877 1.00 0.00 H new ATOM 0 HH TYR A 112 15.558 -0.480 11.179 1.00 0.00 H new ATOM 1745 N ASP A 113 23.412 3.005 8.232 1.00 0.00 N ATOM 1746 CA ASP A 113 24.735 3.542 8.531 1.00 0.00 C ATOM 1747 C ASP A 113 25.340 4.213 7.301 1.00 0.00 C ATOM 1748 O ASP A 113 26.455 4.733 7.352 1.00 0.00 O ATOM 1749 CB ASP A 113 25.660 2.430 9.027 1.00 0.00 C ATOM 1750 CG ASP A 113 25.509 2.172 10.514 1.00 0.00 C ATOM 1751 OD1 ASP A 113 25.950 3.025 11.311 1.00 0.00 O ATOM 1752 OD2 ASP A 113 24.951 1.116 10.879 1.00 0.00 O ATOM 0 H ASP A 113 23.408 2.252 7.544 1.00 0.00 H new ATOM 0 HA ASP A 113 24.627 4.291 9.315 1.00 0.00 H new ATOM 0 HB2 ASP A 113 25.447 1.512 8.478 1.00 0.00 H new ATOM 0 HB3 ASP A 113 26.694 2.698 8.811 1.00 0.00 H new TER 1757 ASP A 113