USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 815 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 108 SER OG : rot 180:sc= 0.893 USER MOD Set 1.2: A 124 THR OG1 : rot -119:sc= 1.23 USER MOD Set 2.1: A 95 CYS SG : rot -170:sc= -1.65 USER MOD Set 2.2: A 97 GLN : amide:sc= -1.71 K(o=-3.4,f=-4.3) USER MOD Single : A 4 SER OG : rot -2:sc= 0.749! USER MOD Single : A 6 ASN : amide:sc= -1.56 X(o=-1.6,f=-1.5) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -160:sc= -1.83 USER MOD Single : A 14 ASN : amide:sc= -1.35 X(o=-1.3,f=-1!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -4.05! C(o=-4!,f=-6.4!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 0:sc= -1.3! USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN :FLIP amide:sc= -2.62! C(o=-3.6!,f=-2.6!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 CYS SG : rot 180:sc= -0.483 USER MOD Single : A 82 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.177) USER MOD Single : A 83 SER OG : rot 129:sc= 0.153 USER MOD Single : A 86 LYS NZ :NH3+ -171:sc= -0.0886 (180deg=-0.176) USER MOD Single : A 89 SER OG : rot 180:sc= -0.111 USER MOD Single : A 91 ASN : amide:sc= -1.7 K(o=-1.7,f=-8.7!) USER MOD Single : A 92 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.0444) USER MOD Single : A 93 MET CE :methyl 177:sc= -5.26! (180deg=-5.35!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= -0.373 (180deg=-0.373) USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.0676 USER MOD Single : A 110 THR OG1 : rot 36:sc= 0.939 USER MOD Single : A 122 THR OG1 : rot 180:sc= -2.92! USER MOD Single : A 123 MET CE :methyl -143:sc= -0.658 (180deg=-2.79!) USER MOD Single : A 130 CYS SG : rot 180:sc= 0 USER MOD Single : A 131 THR OG1 : rot 180:sc= -1.23 USER MOD Single : A 134 TYR OH : rot 80:sc= -2.86 USER MOD ----------------------------------------------------------------- ATOM 31 N PHE A 3 -12.654 4.285 5.762 1.00 0.00 N ATOM 32 CA PHE A 3 -11.892 3.895 4.515 1.00 0.00 C ATOM 33 C PHE A 3 -12.672 4.289 3.243 1.00 0.00 C ATOM 34 O PHE A 3 -12.105 4.826 2.312 1.00 0.00 O ATOM 35 CB PHE A 3 -11.591 2.388 4.433 1.00 0.00 C ATOM 36 CG PHE A 3 -10.726 1.926 5.582 1.00 0.00 C ATOM 37 CD1 PHE A 3 -11.301 1.569 6.809 1.00 0.00 C ATOM 38 CD2 PHE A 3 -9.342 1.799 5.401 1.00 0.00 C ATOM 39 CE1 PHE A 3 -10.513 1.086 7.837 1.00 0.00 C ATOM 40 CE2 PHE A 3 -8.546 1.324 6.446 1.00 0.00 C ATOM 41 CZ PHE A 3 -9.139 0.958 7.670 1.00 0.00 C ATOM 0 HA PHE A 3 -10.948 4.436 4.577 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -12.527 1.830 4.435 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -11.091 2.168 3.490 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -12.366 1.672 6.952 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -8.892 2.068 4.456 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -10.968 0.806 8.776 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -7.477 1.238 6.316 1.00 0.00 H new ATOM 0 HZ PHE A 3 -8.528 0.579 8.476 1.00 0.00 H new ATOM 51 N SER A 4 -13.955 4.002 3.178 1.00 0.00 N ATOM 52 CA SER A 4 -14.760 4.330 1.956 1.00 0.00 C ATOM 53 C SER A 4 -14.554 5.794 1.539 1.00 0.00 C ATOM 54 O SER A 4 -14.823 6.702 2.303 1.00 0.00 O ATOM 55 CB SER A 4 -16.244 4.108 2.256 1.00 0.00 C ATOM 56 OG SER A 4 -16.745 5.196 3.026 1.00 0.00 O ATOM 0 H SER A 4 -14.481 3.551 3.926 1.00 0.00 H new ATOM 0 HA SER A 4 -14.431 3.682 1.143 1.00 0.00 H new ATOM 0 HB2 SER A 4 -16.804 4.020 1.325 1.00 0.00 H new ATOM 0 HB3 SER A 4 -16.379 3.173 2.799 1.00 0.00 H new ATOM 0 HG SER A 4 -16.017 5.824 3.217 1.00 0.00 H new ATOM 62 N GLY A 5 -14.095 6.029 0.334 1.00 0.00 N ATOM 63 CA GLY A 5 -13.893 7.433 -0.126 1.00 0.00 C ATOM 64 C GLY A 5 -12.660 7.525 -1.011 1.00 0.00 C ATOM 65 O GLY A 5 -11.728 6.754 -0.889 1.00 0.00 O ATOM 0 H GLY A 5 -13.853 5.310 -0.347 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -14.770 7.773 -0.676 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -13.782 8.093 0.735 1.00 0.00 H new ATOM 69 N ASN A 6 -12.646 8.496 -1.875 1.00 0.00 N ATOM 70 CA ASN A 6 -11.478 8.707 -2.759 1.00 0.00 C ATOM 71 C ASN A 6 -10.417 9.373 -1.902 1.00 0.00 C ATOM 72 O ASN A 6 -10.752 10.078 -0.965 1.00 0.00 O ATOM 73 CB ASN A 6 -11.892 9.615 -3.920 1.00 0.00 C ATOM 74 CG ASN A 6 -11.341 9.067 -5.239 1.00 0.00 C ATOM 75 OD1 ASN A 6 -12.067 8.471 -6.010 1.00 0.00 O ATOM 76 ND2 ASN A 6 -10.084 9.243 -5.533 1.00 0.00 N ATOM 0 H ASN A 6 -13.408 9.161 -2.006 1.00 0.00 H new ATOM 0 HA ASN A 6 -11.100 7.776 -3.182 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -12.979 9.681 -3.970 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -11.519 10.625 -3.753 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -9.710 8.881 -6.410 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -9.474 9.743 -4.886 1.00 0.00 H new ATOM 83 N TRP A 7 -9.155 9.130 -2.152 1.00 0.00 N ATOM 84 CA TRP A 7 -8.124 9.737 -1.259 1.00 0.00 C ATOM 85 C TRP A 7 -7.067 10.517 -2.012 1.00 0.00 C ATOM 86 O TRP A 7 -6.520 10.073 -3.004 1.00 0.00 O ATOM 87 CB TRP A 7 -7.449 8.626 -0.484 1.00 0.00 C ATOM 88 CG TRP A 7 -8.464 7.882 0.303 1.00 0.00 C ATOM 89 CD1 TRP A 7 -9.073 6.739 -0.076 1.00 0.00 C ATOM 90 CD2 TRP A 7 -9.013 8.234 1.590 1.00 0.00 C ATOM 91 NE1 TRP A 7 -9.926 6.338 0.934 1.00 0.00 N ATOM 92 CE2 TRP A 7 -9.930 7.239 1.984 1.00 0.00 C ATOM 93 CE3 TRP A 7 -8.786 9.313 2.446 1.00 0.00 C ATOM 94 CZ2 TRP A 7 -10.603 7.315 3.205 1.00 0.00 C ATOM 95 CZ3 TRP A 7 -9.462 9.411 3.661 1.00 0.00 C ATOM 96 CH2 TRP A 7 -10.372 8.412 4.049 1.00 0.00 C ATOM 0 H TRP A 7 -8.801 8.553 -2.915 1.00 0.00 H new ATOM 0 HA TRP A 7 -8.635 10.441 -0.602 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -6.937 7.950 -1.169 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -6.691 9.041 0.180 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -8.919 6.224 -1.013 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -10.483 5.484 0.909 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -8.079 10.080 2.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -11.294 6.538 3.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -9.286 10.258 4.307 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -10.891 8.489 4.993 1.00 0.00 H new ATOM 107 N LYS A 8 -6.760 11.679 -1.504 1.00 0.00 N ATOM 108 CA LYS A 8 -5.715 12.522 -2.127 1.00 0.00 C ATOM 109 C LYS A 8 -4.417 12.329 -1.345 1.00 0.00 C ATOM 110 O LYS A 8 -4.427 12.251 -0.130 1.00 0.00 O ATOM 111 CB LYS A 8 -6.139 13.996 -2.078 1.00 0.00 C ATOM 112 CG LYS A 8 -7.627 14.125 -2.429 1.00 0.00 C ATOM 113 CD LYS A 8 -7.865 13.641 -3.862 1.00 0.00 C ATOM 114 CE LYS A 8 -7.504 14.753 -4.848 1.00 0.00 C ATOM 115 NZ LYS A 8 -7.320 14.171 -6.208 1.00 0.00 N ATOM 0 H LYS A 8 -7.197 12.080 -0.674 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.572 12.236 -3.169 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.955 14.403 -1.084 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.540 14.579 -2.778 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -8.227 13.538 -1.733 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -7.945 15.163 -2.328 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.262 12.755 -4.062 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -8.908 13.353 -3.990 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -8.291 15.507 -4.867 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.590 15.254 -4.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.074 14.927 -6.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.554 13.467 -6.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -8.203 13.712 -6.512 1.00 0.00 H new ATOM 129 N ILE A 9 -3.302 12.238 -2.026 1.00 0.00 N ATOM 130 CA ILE A 9 -2.004 12.034 -1.317 1.00 0.00 C ATOM 131 C ILE A 9 -1.742 13.204 -0.370 1.00 0.00 C ATOM 132 O ILE A 9 -2.172 14.315 -0.601 1.00 0.00 O ATOM 133 CB ILE A 9 -0.872 11.900 -2.345 1.00 0.00 C ATOM 134 CG1 ILE A 9 0.463 11.595 -1.622 1.00 0.00 C ATOM 135 CG2 ILE A 9 -0.769 13.170 -3.197 1.00 0.00 C ATOM 136 CD1 ILE A 9 1.154 12.868 -1.079 1.00 0.00 C ATOM 0 H ILE A 9 -3.236 12.296 -3.042 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.048 11.118 -0.727 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.094 11.070 -3.016 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.275 10.909 -0.796 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.137 11.087 -2.312 1.00 0.00 H new ATOM 0 HG21 ILE A 9 0.038 13.058 -3.921 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.709 13.332 -3.724 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.563 14.025 -2.553 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.085 12.593 -0.582 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.370 13.545 -1.905 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.495 13.364 -0.366 1.00 0.00 H new ATOM 148 N ILE A 10 -1.037 12.943 0.691 1.00 0.00 N ATOM 149 CA ILE A 10 -0.725 13.996 1.688 1.00 0.00 C ATOM 150 C ILE A 10 0.465 13.493 2.522 1.00 0.00 C ATOM 151 O ILE A 10 0.387 12.477 3.182 1.00 0.00 O ATOM 152 CB ILE A 10 -1.995 14.256 2.544 1.00 0.00 C ATOM 153 CG1 ILE A 10 -2.852 15.347 1.863 1.00 0.00 C ATOM 154 CG2 ILE A 10 -1.648 14.718 3.971 1.00 0.00 C ATOM 155 CD1 ILE A 10 -4.145 14.740 1.300 1.00 0.00 C ATOM 0 H ILE A 10 -0.656 12.023 0.913 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.448 14.945 1.228 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.542 13.316 2.617 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.094 16.130 2.582 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.284 15.816 1.060 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.567 14.887 4.532 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.056 13.950 4.468 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.075 15.644 3.924 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.737 15.522 0.824 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.897 13.974 0.565 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.720 14.293 2.111 1.00 0.00 H new ATOM 167 N ARG A 11 1.565 14.192 2.465 1.00 0.00 N ATOM 168 CA ARG A 11 2.784 13.777 3.224 1.00 0.00 C ATOM 169 C ARG A 11 3.281 12.429 2.691 1.00 0.00 C ATOM 170 O ARG A 11 3.163 11.409 3.343 1.00 0.00 O ATOM 171 CB ARG A 11 2.460 13.665 4.721 1.00 0.00 C ATOM 172 CG ARG A 11 2.908 14.940 5.442 1.00 0.00 C ATOM 173 CD ARG A 11 2.085 16.128 4.938 1.00 0.00 C ATOM 174 NE ARG A 11 2.328 17.309 5.813 1.00 0.00 N ATOM 175 CZ ARG A 11 1.865 18.481 5.472 1.00 0.00 C ATOM 176 NH1 ARG A 11 2.326 19.080 4.408 1.00 0.00 N ATOM 177 NH2 ARG A 11 0.942 19.053 6.195 1.00 0.00 N ATOM 0 H ARG A 11 1.675 15.046 1.917 1.00 0.00 H new ATOM 0 HA ARG A 11 3.564 14.527 3.092 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.390 13.513 4.861 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.964 12.798 5.148 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.780 14.826 6.518 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.969 15.117 5.264 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.358 16.362 3.909 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.025 15.875 4.937 1.00 0.00 H new ATOM 0 HE ARG A 11 2.856 17.202 6.679 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.048 18.632 3.843 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.964 19.996 4.141 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.582 18.585 7.027 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.580 19.969 5.929 1.00 0.00 H new ATOM 191 N SER A 12 3.838 12.425 1.505 1.00 0.00 N ATOM 192 CA SER A 12 4.351 11.156 0.909 1.00 0.00 C ATOM 193 C SER A 12 5.847 11.304 0.612 1.00 0.00 C ATOM 194 O SER A 12 6.232 11.886 -0.385 1.00 0.00 O ATOM 195 CB SER A 12 3.606 10.868 -0.400 1.00 0.00 C ATOM 196 OG SER A 12 3.844 9.522 -0.791 1.00 0.00 O ATOM 0 H SER A 12 3.959 13.253 0.922 1.00 0.00 H new ATOM 0 HA SER A 12 4.192 10.336 1.609 1.00 0.00 H new ATOM 0 HB2 SER A 12 2.537 11.037 -0.268 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.942 11.550 -1.181 1.00 0.00 H new ATOM 0 HG SER A 12 3.653 9.420 -1.747 1.00 0.00 H new ATOM 202 N GLU A 13 6.691 10.782 1.467 1.00 0.00 N ATOM 203 CA GLU A 13 8.163 10.889 1.236 1.00 0.00 C ATOM 204 C GLU A 13 8.847 9.598 1.694 1.00 0.00 C ATOM 205 O GLU A 13 9.639 9.591 2.619 1.00 0.00 O ATOM 206 CB GLU A 13 8.717 12.080 2.023 1.00 0.00 C ATOM 207 CG GLU A 13 9.894 12.693 1.262 1.00 0.00 C ATOM 208 CD GLU A 13 10.497 13.832 2.085 1.00 0.00 C ATOM 209 OE1 GLU A 13 9.753 14.725 2.458 1.00 0.00 O ATOM 210 OE2 GLU A 13 11.691 13.792 2.330 1.00 0.00 O ATOM 0 H GLU A 13 6.423 10.285 2.317 1.00 0.00 H new ATOM 0 HA GLU A 13 8.357 11.039 0.174 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.937 12.827 2.170 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.039 11.757 3.013 1.00 0.00 H new ATOM 0 HG2 GLU A 13 10.650 11.932 1.066 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.560 13.067 0.294 1.00 0.00 H new ATOM 217 N ASN A 14 8.532 8.503 1.054 1.00 0.00 N ATOM 218 CA ASN A 14 9.144 7.195 1.442 1.00 0.00 C ATOM 219 C ASN A 14 9.789 6.506 0.228 1.00 0.00 C ATOM 220 O ASN A 14 10.558 5.584 0.394 1.00 0.00 O ATOM 221 CB ASN A 14 8.056 6.285 2.011 1.00 0.00 C ATOM 222 CG ASN A 14 8.010 6.429 3.534 1.00 0.00 C ATOM 223 OD1 ASN A 14 8.493 5.576 4.252 1.00 0.00 O ATOM 224 ND2 ASN A 14 7.444 7.481 4.061 1.00 0.00 N ATOM 0 H ASN A 14 7.874 8.457 0.276 1.00 0.00 H new ATOM 0 HA ASN A 14 9.917 7.381 2.187 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.089 6.546 1.582 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.256 5.248 1.740 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.407 7.586 5.075 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.038 8.197 3.459 1.00 0.00 H new ATOM 231 N PHE A 15 9.476 6.929 -0.985 1.00 0.00 N ATOM 232 CA PHE A 15 10.058 6.277 -2.212 1.00 0.00 C ATOM 233 C PHE A 15 11.587 6.085 -2.070 1.00 0.00 C ATOM 234 O PHE A 15 12.103 5.003 -2.289 1.00 0.00 O ATOM 235 CB PHE A 15 9.727 7.144 -3.466 1.00 0.00 C ATOM 236 CG PHE A 15 10.892 7.125 -4.440 1.00 0.00 C ATOM 237 CD1 PHE A 15 11.052 6.053 -5.324 1.00 0.00 C ATOM 238 CD2 PHE A 15 11.855 8.138 -4.385 1.00 0.00 C ATOM 239 CE1 PHE A 15 12.167 6.005 -6.160 1.00 0.00 C ATOM 240 CE2 PHE A 15 12.977 8.080 -5.208 1.00 0.00 C ATOM 241 CZ PHE A 15 13.132 7.016 -6.096 1.00 0.00 C ATOM 0 H PHE A 15 8.839 7.702 -1.176 1.00 0.00 H new ATOM 0 HA PHE A 15 9.613 5.289 -2.329 1.00 0.00 H new ATOM 0 HB2 PHE A 15 8.830 6.763 -3.954 1.00 0.00 H new ATOM 0 HB3 PHE A 15 9.514 8.169 -3.162 1.00 0.00 H new ATOM 0 HD1 PHE A 15 10.314 5.265 -5.359 1.00 0.00 H new ATOM 0 HD2 PHE A 15 11.728 8.966 -3.703 1.00 0.00 H new ATOM 0 HE1 PHE A 15 12.286 5.188 -6.856 1.00 0.00 H new ATOM 0 HE2 PHE A 15 13.725 8.857 -5.159 1.00 0.00 H new ATOM 0 HZ PHE A 15 14.000 6.972 -6.737 1.00 0.00 H new ATOM 251 N GLU A 16 12.307 7.125 -1.759 1.00 0.00 N ATOM 252 CA GLU A 16 13.784 6.985 -1.657 1.00 0.00 C ATOM 253 C GLU A 16 14.119 6.102 -0.461 1.00 0.00 C ATOM 254 O GLU A 16 15.033 5.304 -0.512 1.00 0.00 O ATOM 255 CB GLU A 16 14.439 8.361 -1.506 1.00 0.00 C ATOM 256 CG GLU A 16 13.875 9.075 -0.274 1.00 0.00 C ATOM 257 CD GLU A 16 14.604 10.406 -0.077 1.00 0.00 C ATOM 258 OE1 GLU A 16 15.801 10.443 -0.310 1.00 0.00 O ATOM 259 OE2 GLU A 16 13.953 11.365 0.303 1.00 0.00 O ATOM 0 H GLU A 16 11.940 8.058 -1.572 1.00 0.00 H new ATOM 0 HA GLU A 16 14.170 6.524 -2.566 1.00 0.00 H new ATOM 0 HB2 GLU A 16 15.519 8.251 -1.410 1.00 0.00 H new ATOM 0 HB3 GLU A 16 14.258 8.960 -2.399 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.806 9.249 -0.399 1.00 0.00 H new ATOM 0 HG3 GLU A 16 13.995 8.448 0.610 1.00 0.00 H new ATOM 266 N GLU A 17 13.361 6.210 0.602 1.00 0.00 N ATOM 267 CA GLU A 17 13.608 5.338 1.791 1.00 0.00 C ATOM 268 C GLU A 17 13.479 3.867 1.358 1.00 0.00 C ATOM 269 O GLU A 17 14.015 2.973 1.982 1.00 0.00 O ATOM 270 CB GLU A 17 12.568 5.646 2.868 1.00 0.00 C ATOM 271 CG GLU A 17 13.193 5.468 4.252 1.00 0.00 C ATOM 272 CD GLU A 17 12.387 6.260 5.284 1.00 0.00 C ATOM 273 OE1 GLU A 17 12.415 7.478 5.221 1.00 0.00 O ATOM 274 OE2 GLU A 17 11.755 5.634 6.120 1.00 0.00 O ATOM 0 H GLU A 17 12.583 6.863 0.698 1.00 0.00 H new ATOM 0 HA GLU A 17 14.605 5.522 2.190 1.00 0.00 H new ATOM 0 HB2 GLU A 17 12.201 6.666 2.752 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.709 4.984 2.758 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.210 4.412 4.521 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.227 5.811 4.242 1.00 0.00 H new ATOM 281 N LEU A 18 12.770 3.626 0.279 1.00 0.00 N ATOM 282 CA LEU A 18 12.588 2.246 -0.231 1.00 0.00 C ATOM 283 C LEU A 18 13.872 1.760 -0.861 1.00 0.00 C ATOM 284 O LEU A 18 14.323 0.665 -0.601 1.00 0.00 O ATOM 285 CB LEU A 18 11.507 2.233 -1.317 1.00 0.00 C ATOM 286 CG LEU A 18 10.276 3.077 -0.961 1.00 0.00 C ATOM 287 CD1 LEU A 18 9.129 2.639 -1.856 1.00 0.00 C ATOM 288 CD2 LEU A 18 9.841 2.919 0.497 1.00 0.00 C ATOM 0 H LEU A 18 12.305 4.347 -0.273 1.00 0.00 H new ATOM 0 HA LEU A 18 12.303 1.605 0.603 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.934 2.602 -2.249 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.194 1.204 -1.495 1.00 0.00 H new ATOM 0 HG LEU A 18 10.540 4.124 -1.108 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.240 3.225 -1.622 1.00 0.00 H new ATOM 0 HD12 LEU A 18 9.402 2.795 -2.900 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.921 1.582 -1.689 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.966 3.541 0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.593 1.876 0.692 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.654 3.227 1.155 1.00 0.00 H new ATOM 300 N LEU A 19 14.453 2.560 -1.702 1.00 0.00 N ATOM 301 CA LEU A 19 15.713 2.140 -2.361 1.00 0.00 C ATOM 302 C LEU A 19 16.893 2.341 -1.399 1.00 0.00 C ATOM 303 O LEU A 19 18.008 1.946 -1.680 1.00 0.00 O ATOM 304 CB LEU A 19 15.946 2.955 -3.642 1.00 0.00 C ATOM 305 CG LEU A 19 14.689 3.015 -4.550 1.00 0.00 C ATOM 306 CD1 LEU A 19 13.779 1.783 -4.404 1.00 0.00 C ATOM 307 CD2 LEU A 19 13.891 4.277 -4.223 1.00 0.00 C ATOM 0 H LEU A 19 14.111 3.485 -1.962 1.00 0.00 H new ATOM 0 HA LEU A 19 15.635 1.085 -2.625 1.00 0.00 H new ATOM 0 HB2 LEU A 19 16.244 3.969 -3.374 1.00 0.00 H new ATOM 0 HB3 LEU A 19 16.773 2.517 -4.201 1.00 0.00 H new ATOM 0 HG LEU A 19 15.039 3.031 -5.582 1.00 0.00 H new ATOM 0 HD11 LEU A 19 12.918 1.886 -5.065 1.00 0.00 H new ATOM 0 HD12 LEU A 19 14.336 0.885 -4.671 1.00 0.00 H new ATOM 0 HD13 LEU A 19 13.437 1.704 -3.372 1.00 0.00 H new ATOM 0 HD21 LEU A 19 13.007 4.323 -4.859 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.585 4.253 -3.177 1.00 0.00 H new ATOM 0 HD23 LEU A 19 14.511 5.156 -4.400 1.00 0.00 H new ATOM 319 N LYS A 20 16.649 2.951 -0.264 1.00 0.00 N ATOM 320 CA LYS A 20 17.723 3.187 0.728 1.00 0.00 C ATOM 321 C LYS A 20 17.740 2.047 1.749 1.00 0.00 C ATOM 322 O LYS A 20 18.739 1.795 2.397 1.00 0.00 O ATOM 323 CB LYS A 20 17.420 4.497 1.451 1.00 0.00 C ATOM 324 CG LYS A 20 18.115 5.647 0.728 1.00 0.00 C ATOM 325 CD LYS A 20 18.284 6.828 1.685 1.00 0.00 C ATOM 326 CE LYS A 20 18.859 8.025 0.924 1.00 0.00 C ATOM 327 NZ LYS A 20 19.755 8.802 1.826 1.00 0.00 N ATOM 0 H LYS A 20 15.731 3.298 0.014 1.00 0.00 H new ATOM 0 HA LYS A 20 18.691 3.236 0.229 1.00 0.00 H new ATOM 0 HB2 LYS A 20 16.344 4.669 1.480 1.00 0.00 H new ATOM 0 HB3 LYS A 20 17.762 4.443 2.484 1.00 0.00 H new ATOM 0 HG2 LYS A 20 19.088 5.323 0.359 1.00 0.00 H new ATOM 0 HG3 LYS A 20 17.530 5.950 -0.140 1.00 0.00 H new ATOM 0 HD2 LYS A 20 17.323 7.092 2.127 1.00 0.00 H new ATOM 0 HD3 LYS A 20 18.947 6.553 2.505 1.00 0.00 H new ATOM 0 HE2 LYS A 20 19.413 7.682 0.050 1.00 0.00 H new ATOM 0 HE3 LYS A 20 18.052 8.660 0.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 20.146 9.616 1.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 19.213 9.141 2.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 20.532 8.193 2.152 1.00 0.00 H new ATOM 341 N VAL A 21 16.631 1.372 1.907 1.00 0.00 N ATOM 342 CA VAL A 21 16.551 0.265 2.891 1.00 0.00 C ATOM 343 C VAL A 21 16.705 -1.079 2.187 1.00 0.00 C ATOM 344 O VAL A 21 17.297 -1.996 2.725 1.00 0.00 O ATOM 345 CB VAL A 21 15.206 0.337 3.609 1.00 0.00 C ATOM 346 CG1 VAL A 21 15.122 1.650 4.387 1.00 0.00 C ATOM 347 CG2 VAL A 21 14.060 0.268 2.595 1.00 0.00 C ATOM 0 H VAL A 21 15.771 1.547 1.388 1.00 0.00 H new ATOM 0 HA VAL A 21 17.357 0.362 3.618 1.00 0.00 H new ATOM 0 HB VAL A 21 15.120 -0.506 4.294 1.00 0.00 H new ATOM 0 HG11 VAL A 21 14.163 1.707 4.902 1.00 0.00 H new ATOM 0 HG12 VAL A 21 15.930 1.692 5.118 1.00 0.00 H new ATOM 0 HG13 VAL A 21 15.213 2.488 3.697 1.00 0.00 H new ATOM 0 HG21 VAL A 21 13.106 0.320 3.120 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.138 1.104 1.900 1.00 0.00 H new ATOM 0 HG23 VAL A 21 14.119 -0.670 2.042 1.00 0.00 H new ATOM 357 N LEU A 22 16.220 -1.199 0.974 1.00 0.00 N ATOM 358 CA LEU A 22 16.394 -2.480 0.232 1.00 0.00 C ATOM 359 C LEU A 22 17.896 -2.711 0.028 1.00 0.00 C ATOM 360 O LEU A 22 18.341 -3.820 -0.197 1.00 0.00 O ATOM 361 CB LEU A 22 15.663 -2.421 -1.129 1.00 0.00 C ATOM 362 CG LEU A 22 16.127 -1.257 -2.005 1.00 0.00 C ATOM 363 CD1 LEU A 22 17.526 -1.514 -2.581 1.00 0.00 C ATOM 364 CD2 LEU A 22 15.129 -1.135 -3.159 1.00 0.00 C ATOM 0 H LEU A 22 15.715 -0.469 0.472 1.00 0.00 H new ATOM 0 HA LEU A 22 15.964 -3.304 0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 22 15.824 -3.357 -1.663 1.00 0.00 H new ATOM 0 HB3 LEU A 22 14.590 -2.333 -0.956 1.00 0.00 H new ATOM 0 HG LEU A 22 16.174 -0.346 -1.408 1.00 0.00 H new ATOM 0 HD11 LEU A 22 17.826 -0.668 -3.199 1.00 0.00 H new ATOM 0 HD12 LEU A 22 18.238 -1.638 -1.765 1.00 0.00 H new ATOM 0 HD13 LEU A 22 17.509 -2.419 -3.189 1.00 0.00 H new ATOM 0 HD21 LEU A 22 15.425 -0.313 -3.810 1.00 0.00 H new ATOM 0 HD22 LEU A 22 15.117 -2.064 -3.730 1.00 0.00 H new ATOM 0 HD23 LEU A 22 14.133 -0.942 -2.760 1.00 0.00 H new ATOM 643 N VAL A 41 -5.632 7.571 -5.264 1.00 0.00 N ATOM 644 CA VAL A 41 -6.291 6.245 -5.083 1.00 0.00 C ATOM 645 C VAL A 41 -7.799 6.452 -4.916 1.00 0.00 C ATOM 646 O VAL A 41 -8.272 7.566 -4.815 1.00 0.00 O ATOM 647 CB VAL A 41 -5.687 5.537 -3.841 1.00 0.00 C ATOM 648 CG1 VAL A 41 -6.341 6.017 -2.537 1.00 0.00 C ATOM 649 CG2 VAL A 41 -5.866 4.017 -3.970 1.00 0.00 C ATOM 0 HA VAL A 41 -6.120 5.616 -5.956 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.627 5.788 -3.801 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.890 5.498 -1.691 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.188 7.091 -2.427 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.410 5.804 -2.566 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.440 3.525 -3.096 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.928 3.780 -4.039 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.357 3.666 -4.868 1.00 0.00 H new ATOM 659 N GLU A 42 -8.537 5.384 -4.849 1.00 0.00 N ATOM 660 CA GLU A 42 -10.001 5.497 -4.644 1.00 0.00 C ATOM 661 C GLU A 42 -10.490 4.223 -3.973 1.00 0.00 C ATOM 662 O GLU A 42 -10.433 3.149 -4.543 1.00 0.00 O ATOM 663 CB GLU A 42 -10.710 5.706 -5.981 1.00 0.00 C ATOM 664 CG GLU A 42 -10.341 4.575 -6.939 1.00 0.00 C ATOM 665 CD GLU A 42 -10.536 5.043 -8.382 1.00 0.00 C ATOM 666 OE1 GLU A 42 -11.653 4.958 -8.865 1.00 0.00 O ATOM 667 OE2 GLU A 42 -9.565 5.478 -8.980 1.00 0.00 O ATOM 0 H GLU A 42 -8.185 4.430 -4.928 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.224 6.356 -4.011 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.789 5.732 -5.832 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.424 6.667 -6.409 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.306 4.273 -6.780 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.962 3.701 -6.742 1.00 0.00 H new ATOM 674 N ILE A 43 -10.948 4.334 -2.755 1.00 0.00 N ATOM 675 CA ILE A 43 -11.417 3.132 -2.027 1.00 0.00 C ATOM 676 C ILE A 43 -12.933 3.035 -2.109 1.00 0.00 C ATOM 677 O ILE A 43 -13.642 4.023 -2.104 1.00 0.00 O ATOM 678 CB ILE A 43 -10.962 3.208 -0.573 1.00 0.00 C ATOM 679 CG1 ILE A 43 -9.438 3.377 -0.540 1.00 0.00 C ATOM 680 CG2 ILE A 43 -11.349 1.921 0.161 1.00 0.00 C ATOM 681 CD1 ILE A 43 -8.960 3.568 0.901 1.00 0.00 C ATOM 0 H ILE A 43 -11.016 5.210 -2.236 1.00 0.00 H new ATOM 0 HA ILE A 43 -10.990 2.239 -2.484 1.00 0.00 H new ATOM 0 HB ILE A 43 -11.442 4.054 -0.082 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -8.958 2.502 -0.977 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -9.147 4.236 -1.145 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -11.021 1.981 1.199 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -12.431 1.795 0.129 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -10.870 1.069 -0.322 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -7.877 3.687 0.912 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -9.427 4.457 1.324 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -9.235 2.696 1.494 1.00 0.00 H new ATOM 693 N LYS A 44 -13.418 1.837 -2.201 1.00 0.00 N ATOM 694 CA LYS A 44 -14.878 1.601 -2.304 1.00 0.00 C ATOM 695 C LYS A 44 -15.191 0.398 -1.425 1.00 0.00 C ATOM 696 O LYS A 44 -14.669 -0.676 -1.642 1.00 0.00 O ATOM 697 CB LYS A 44 -15.209 1.312 -3.771 1.00 0.00 C ATOM 698 CG LYS A 44 -14.661 2.446 -4.644 1.00 0.00 C ATOM 699 CD LYS A 44 -15.359 2.446 -6.002 1.00 0.00 C ATOM 700 CE LYS A 44 -15.071 1.139 -6.747 1.00 0.00 C ATOM 701 NZ LYS A 44 -16.311 0.673 -7.429 1.00 0.00 N ATOM 0 H LYS A 44 -12.850 0.990 -2.209 1.00 0.00 H new ATOM 0 HA LYS A 44 -15.467 2.458 -1.979 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -14.773 0.360 -4.074 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -16.287 1.224 -3.902 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.814 3.404 -4.148 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -13.586 2.325 -4.779 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -16.434 2.566 -5.866 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -15.016 3.294 -6.595 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.277 1.292 -7.478 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.720 0.379 -6.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.116 -0.214 -7.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.056 0.512 -6.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.627 1.396 -8.107 1.00 0.00 H new ATOM 715 N GLN A 45 -15.982 0.572 -0.398 1.00 0.00 N ATOM 716 CA GLN A 45 -16.234 -0.576 0.516 1.00 0.00 C ATOM 717 C GLN A 45 -17.673 -0.626 1.026 1.00 0.00 C ATOM 718 O GLN A 45 -18.331 0.380 1.210 1.00 0.00 O ATOM 719 CB GLN A 45 -15.286 -0.440 1.708 1.00 0.00 C ATOM 720 CG GLN A 45 -15.502 0.911 2.395 1.00 0.00 C ATOM 721 CD GLN A 45 -16.615 0.784 3.442 1.00 0.00 C ATOM 722 OE1 GLN A 45 -17.632 1.441 3.347 1.00 0.00 O ATOM 723 NE2 GLN A 45 -16.466 -0.040 4.441 1.00 0.00 N ATOM 0 H GLN A 45 -16.455 1.443 -0.157 1.00 0.00 H new ATOM 0 HA GLN A 45 -16.064 -1.498 -0.041 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -15.460 -1.250 2.416 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -14.252 -0.526 1.373 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -14.578 1.241 2.870 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -15.768 1.667 1.657 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -15.613 -0.593 4.523 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -17.203 -0.132 5.141 1.00 0.00 H new ATOM 732 N GLU A 46 -18.137 -1.818 1.284 1.00 0.00 N ATOM 733 CA GLU A 46 -19.502 -2.023 1.822 1.00 0.00 C ATOM 734 C GLU A 46 -19.395 -3.002 2.997 1.00 0.00 C ATOM 735 O GLU A 46 -19.547 -4.199 2.835 1.00 0.00 O ATOM 736 CB GLU A 46 -20.389 -2.620 0.732 1.00 0.00 C ATOM 737 CG GLU A 46 -21.852 -2.311 1.043 1.00 0.00 C ATOM 738 CD GLU A 46 -22.696 -2.500 -0.219 1.00 0.00 C ATOM 739 OE1 GLU A 46 -22.432 -3.442 -0.948 1.00 0.00 O ATOM 740 OE2 GLU A 46 -23.590 -1.699 -0.436 1.00 0.00 O ATOM 0 H GLU A 46 -17.608 -2.678 1.139 1.00 0.00 H new ATOM 0 HA GLU A 46 -19.937 -1.079 2.151 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -20.117 -2.208 -0.240 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -20.238 -3.698 0.674 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -22.212 -2.967 1.835 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -21.949 -1.288 1.408 1.00 0.00 H new ATOM 747 N GLY A 47 -19.101 -2.505 4.173 1.00 0.00 N ATOM 748 CA GLY A 47 -18.953 -3.403 5.359 1.00 0.00 C ATOM 749 C GLY A 47 -17.559 -4.040 5.332 1.00 0.00 C ATOM 750 O GLY A 47 -16.567 -3.362 5.145 1.00 0.00 O ATOM 0 H GLY A 47 -18.957 -1.513 4.363 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -19.090 -2.836 6.280 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -19.721 -4.177 5.344 1.00 0.00 H new ATOM 754 N ASP A 48 -17.477 -5.337 5.508 1.00 0.00 N ATOM 755 CA ASP A 48 -16.151 -6.018 5.483 1.00 0.00 C ATOM 756 C ASP A 48 -15.663 -6.193 4.039 1.00 0.00 C ATOM 757 O ASP A 48 -14.570 -6.677 3.812 1.00 0.00 O ATOM 758 CB ASP A 48 -16.272 -7.382 6.147 1.00 0.00 C ATOM 759 CG ASP A 48 -17.384 -8.188 5.472 1.00 0.00 C ATOM 760 OD1 ASP A 48 -17.213 -8.545 4.318 1.00 0.00 O ATOM 761 OD2 ASP A 48 -18.387 -8.435 6.121 1.00 0.00 O ATOM 0 H ASP A 48 -18.275 -5.952 5.668 1.00 0.00 H new ATOM 0 HA ASP A 48 -15.430 -5.405 6.024 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -15.326 -7.918 6.074 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -16.489 -7.262 7.208 1.00 0.00 H new ATOM 766 N THR A 49 -16.440 -5.787 3.063 1.00 0.00 N ATOM 767 CA THR A 49 -15.991 -5.913 1.651 1.00 0.00 C ATOM 768 C THR A 49 -15.257 -4.622 1.278 1.00 0.00 C ATOM 769 O THR A 49 -15.687 -3.544 1.634 1.00 0.00 O ATOM 770 CB THR A 49 -17.212 -6.092 0.745 1.00 0.00 C ATOM 771 OG1 THR A 49 -17.943 -7.237 1.162 1.00 0.00 O ATOM 772 CG2 THR A 49 -16.759 -6.274 -0.703 1.00 0.00 C ATOM 0 H THR A 49 -17.364 -5.375 3.189 1.00 0.00 H new ATOM 0 HA THR A 49 -15.333 -6.773 1.530 1.00 0.00 H new ATOM 0 HB THR A 49 -17.846 -5.208 0.813 1.00 0.00 H new ATOM 0 HG1 THR A 49 -18.726 -7.353 0.585 1.00 0.00 H new ATOM 0 HG21 THR A 49 -17.631 -6.401 -1.344 1.00 0.00 H new ATOM 0 HG22 THR A 49 -16.199 -5.395 -1.022 1.00 0.00 H new ATOM 0 HG23 THR A 49 -16.123 -7.156 -0.777 1.00 0.00 H new ATOM 780 N PHE A 50 -14.153 -4.714 0.584 1.00 0.00 N ATOM 781 CA PHE A 50 -13.411 -3.474 0.213 1.00 0.00 C ATOM 782 C PHE A 50 -12.884 -3.554 -1.221 1.00 0.00 C ATOM 783 O PHE A 50 -12.726 -4.614 -1.798 1.00 0.00 O ATOM 784 CB PHE A 50 -12.229 -3.268 1.165 1.00 0.00 C ATOM 785 CG PHE A 50 -12.745 -3.166 2.575 1.00 0.00 C ATOM 786 CD1 PHE A 50 -12.977 -4.327 3.305 1.00 0.00 C ATOM 787 CD2 PHE A 50 -13.013 -1.916 3.140 1.00 0.00 C ATOM 788 CE1 PHE A 50 -13.483 -4.250 4.601 1.00 0.00 C ATOM 789 CE2 PHE A 50 -13.514 -1.835 4.445 1.00 0.00 C ATOM 790 CZ PHE A 50 -13.752 -3.008 5.173 1.00 0.00 C ATOM 0 H PHE A 50 -13.736 -5.587 0.260 1.00 0.00 H new ATOM 0 HA PHE A 50 -14.104 -2.636 0.288 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -11.528 -4.099 1.080 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -11.684 -2.363 0.898 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -12.764 -5.291 2.866 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -12.834 -1.015 2.572 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -13.667 -5.154 5.163 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -13.716 -0.871 4.889 1.00 0.00 H new ATOM 0 HZ PHE A 50 -14.144 -2.950 6.178 1.00 0.00 H new ATOM 800 N TYR A 51 -12.587 -2.414 -1.771 1.00 0.00 N ATOM 801 CA TYR A 51 -12.034 -2.317 -3.146 1.00 0.00 C ATOM 802 C TYR A 51 -10.948 -1.246 -3.051 1.00 0.00 C ATOM 803 O TYR A 51 -11.069 -0.317 -2.272 1.00 0.00 O ATOM 804 CB TYR A 51 -13.182 -1.948 -4.120 1.00 0.00 C ATOM 805 CG TYR A 51 -12.721 -1.133 -5.318 1.00 0.00 C ATOM 806 CD1 TYR A 51 -12.420 0.222 -5.164 1.00 0.00 C ATOM 807 CD2 TYR A 51 -12.651 -1.719 -6.584 1.00 0.00 C ATOM 808 CE1 TYR A 51 -12.053 0.992 -6.262 1.00 0.00 C ATOM 809 CE2 TYR A 51 -12.269 -0.946 -7.692 1.00 0.00 C ATOM 810 CZ TYR A 51 -11.974 0.411 -7.529 1.00 0.00 C ATOM 811 OH TYR A 51 -11.619 1.177 -8.622 1.00 0.00 O ATOM 0 H TYR A 51 -12.709 -1.514 -1.307 1.00 0.00 H new ATOM 0 HA TYR A 51 -11.607 -3.244 -3.528 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -13.656 -2.863 -4.474 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -13.941 -1.385 -3.578 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -12.473 0.675 -4.185 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -12.890 -2.765 -6.710 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -11.829 2.041 -6.135 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -12.203 -1.399 -8.670 1.00 0.00 H new ATOM 0 HH TYR A 51 -11.459 2.101 -8.336 1.00 0.00 H new ATOM 821 N ILE A 52 -9.876 -1.380 -3.780 1.00 0.00 N ATOM 822 CA ILE A 52 -8.780 -0.369 -3.654 1.00 0.00 C ATOM 823 C ILE A 52 -8.097 -0.163 -5.005 1.00 0.00 C ATOM 824 O ILE A 52 -7.328 -0.994 -5.450 1.00 0.00 O ATOM 825 CB ILE A 52 -7.746 -0.859 -2.620 1.00 0.00 C ATOM 826 CG1 ILE A 52 -8.464 -1.508 -1.418 1.00 0.00 C ATOM 827 CG2 ILE A 52 -6.916 0.330 -2.134 1.00 0.00 C ATOM 828 CD1 ILE A 52 -7.446 -1.966 -0.367 1.00 0.00 C ATOM 0 H ILE A 52 -9.708 -2.132 -4.449 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.205 0.579 -3.325 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.096 -1.599 -3.087 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -9.158 -0.795 -0.974 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -9.054 -2.360 -1.756 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.184 -0.012 -1.403 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.399 0.783 -2.980 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -7.572 1.068 -1.672 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.970 -2.421 0.473 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.769 -2.696 -0.810 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.874 -1.107 -0.016 1.00 0.00 H new ATOM 840 N LYS A 53 -8.373 0.938 -5.662 1.00 0.00 N ATOM 841 CA LYS A 53 -7.745 1.190 -6.991 1.00 0.00 C ATOM 842 C LYS A 53 -6.747 2.349 -6.910 1.00 0.00 C ATOM 843 O LYS A 53 -7.119 3.505 -6.973 1.00 0.00 O ATOM 844 CB LYS A 53 -8.837 1.518 -8.012 1.00 0.00 C ATOM 845 CG LYS A 53 -8.219 1.677 -9.406 1.00 0.00 C ATOM 846 CD LYS A 53 -9.221 2.370 -10.335 1.00 0.00 C ATOM 847 CE LYS A 53 -9.988 1.320 -11.141 1.00 0.00 C ATOM 848 NZ LYS A 53 -9.356 1.164 -12.482 1.00 0.00 N ATOM 0 H LYS A 53 -9.004 1.669 -5.334 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.206 0.295 -7.300 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.585 0.725 -8.025 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.351 2.436 -7.726 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.301 2.261 -9.344 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.949 0.701 -9.809 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.916 2.973 -9.751 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.698 3.049 -11.009 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.985 0.367 -10.613 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.030 1.620 -11.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.877 0.450 -13.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.381 2.074 -12.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.368 0.859 -12.367 1.00 0.00 H new ATOM 983 N GLU A 62 -6.741 -2.909 -9.334 1.00 0.00 N ATOM 984 CA GLU A 62 -7.236 -2.640 -7.953 1.00 0.00 C ATOM 985 C GLU A 62 -7.594 -3.962 -7.271 1.00 0.00 C ATOM 986 O GLU A 62 -7.935 -4.928 -7.929 1.00 0.00 O ATOM 987 CB GLU A 62 -8.477 -1.732 -8.022 1.00 0.00 C ATOM 988 CG GLU A 62 -9.625 -2.424 -8.773 1.00 0.00 C ATOM 989 CD GLU A 62 -10.436 -3.309 -7.816 1.00 0.00 C ATOM 990 OE1 GLU A 62 -10.304 -3.139 -6.613 1.00 0.00 O ATOM 991 OE2 GLU A 62 -11.180 -4.142 -8.305 1.00 0.00 O ATOM 0 HA GLU A 62 -6.458 -2.141 -7.376 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.800 -1.475 -7.013 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.221 -0.798 -8.522 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.276 -1.675 -9.225 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.223 -3.029 -9.586 1.00 0.00 H new ATOM 998 N ILE A 63 -7.544 -4.010 -5.961 1.00 0.00 N ATOM 999 CA ILE A 63 -7.913 -5.271 -5.259 1.00 0.00 C ATOM 1000 C ILE A 63 -9.374 -5.201 -4.842 1.00 0.00 C ATOM 1001 O ILE A 63 -9.723 -4.598 -3.846 1.00 0.00 O ATOM 1002 CB ILE A 63 -7.036 -5.535 -4.023 1.00 0.00 C ATOM 1003 CG1 ILE A 63 -6.771 -4.242 -3.241 1.00 0.00 C ATOM 1004 CG2 ILE A 63 -5.716 -6.145 -4.478 1.00 0.00 C ATOM 1005 CD1 ILE A 63 -5.957 -4.553 -1.980 1.00 0.00 C ATOM 0 H ILE A 63 -7.266 -3.237 -5.356 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.750 -6.096 -5.953 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.561 -6.222 -3.360 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -6.231 -3.532 -3.867 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -7.716 -3.772 -2.968 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -5.085 -6.337 -3.610 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -5.909 -7.082 -5.000 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -5.208 -5.453 -5.150 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -5.772 -3.631 -1.429 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.513 -5.247 -1.350 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.006 -5.003 -2.263 1.00 0.00 H new ATOM 1017 N ASN A 64 -10.224 -5.838 -5.598 1.00 0.00 N ATOM 1018 CA ASN A 64 -11.672 -5.853 -5.241 1.00 0.00 C ATOM 1019 C ASN A 64 -11.904 -7.097 -4.393 1.00 0.00 C ATOM 1020 O ASN A 64 -12.408 -8.107 -4.847 1.00 0.00 O ATOM 1021 CB ASN A 64 -12.586 -5.871 -6.486 1.00 0.00 C ATOM 1022 CG ASN A 64 -11.986 -6.683 -7.653 1.00 0.00 C ATOM 1023 OD1 ASN A 64 -11.238 -7.733 -7.429 1.00 0.00 O flip ATOM 1024 ND2 ASN A 64 -12.210 -6.350 -8.800 1.00 0.00 N flip ATOM 0 H ASN A 64 -9.980 -6.349 -6.447 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.924 -4.943 -4.697 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -13.554 -6.293 -6.215 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -12.765 -4.847 -6.815 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -12.791 -5.534 -8.990 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -11.817 -6.887 -9.573 1.00 0.00 H new ATOM 1031 N PHE A 65 -11.483 -7.029 -3.169 1.00 0.00 N ATOM 1032 CA PHE A 65 -11.587 -8.197 -2.259 1.00 0.00 C ATOM 1033 C PHE A 65 -12.569 -7.903 -1.120 1.00 0.00 C ATOM 1034 O PHE A 65 -13.377 -7.006 -1.192 1.00 0.00 O ATOM 1035 CB PHE A 65 -10.169 -8.452 -1.684 1.00 0.00 C ATOM 1036 CG PHE A 65 -9.783 -7.322 -0.732 1.00 0.00 C ATOM 1037 CD1 PHE A 65 -9.290 -6.115 -1.242 1.00 0.00 C ATOM 1038 CD2 PHE A 65 -9.965 -7.465 0.654 1.00 0.00 C ATOM 1039 CE1 PHE A 65 -8.979 -5.062 -0.387 1.00 0.00 C ATOM 1040 CE2 PHE A 65 -9.659 -6.406 1.512 1.00 0.00 C ATOM 1041 CZ PHE A 65 -9.166 -5.203 0.992 1.00 0.00 C ATOM 0 H PHE A 65 -11.063 -6.199 -2.751 1.00 0.00 H new ATOM 0 HA PHE A 65 -11.955 -9.071 -2.796 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -10.147 -9.406 -1.158 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -9.445 -8.519 -2.496 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.150 -6.000 -2.307 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.342 -8.394 1.056 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -8.593 -4.136 -0.788 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.803 -6.515 2.577 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.930 -4.384 1.656 1.00 0.00 H new ATOM 1051 N LYS A 66 -12.447 -8.649 -0.061 1.00 0.00 N ATOM 1052 CA LYS A 66 -13.275 -8.454 1.147 1.00 0.00 C ATOM 1053 C LYS A 66 -12.411 -8.937 2.300 1.00 0.00 C ATOM 1054 O LYS A 66 -11.949 -10.062 2.294 1.00 0.00 O ATOM 1055 CB LYS A 66 -14.563 -9.268 1.062 1.00 0.00 C ATOM 1056 CG LYS A 66 -14.242 -10.707 0.667 1.00 0.00 C ATOM 1057 CD LYS A 66 -15.537 -11.448 0.331 1.00 0.00 C ATOM 1058 CE LYS A 66 -16.213 -11.908 1.624 1.00 0.00 C ATOM 1059 NZ LYS A 66 -17.249 -12.931 1.306 1.00 0.00 N ATOM 0 H LYS A 66 -11.778 -9.416 0.014 1.00 0.00 H new ATOM 0 HA LYS A 66 -13.577 -7.414 1.268 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -15.078 -9.251 2.022 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -15.238 -8.823 0.331 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -13.571 -10.718 -0.192 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -13.724 -11.212 1.482 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -16.207 -10.796 -0.230 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -15.322 -12.307 -0.305 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -15.472 -12.325 2.306 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -16.670 -11.058 2.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -17.709 -13.244 2.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -17.961 -12.518 0.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -16.801 -13.746 0.840 1.00 0.00 H new ATOM 1073 N VAL A 67 -12.132 -8.082 3.252 1.00 0.00 N ATOM 1074 CA VAL A 67 -11.230 -8.455 4.390 1.00 0.00 C ATOM 1075 C VAL A 67 -11.560 -9.860 4.919 1.00 0.00 C ATOM 1076 O VAL A 67 -12.701 -10.281 4.945 1.00 0.00 O ATOM 1077 CB VAL A 67 -11.350 -7.414 5.501 1.00 0.00 C ATOM 1078 CG1 VAL A 67 -10.423 -7.798 6.657 1.00 0.00 C ATOM 1079 CG2 VAL A 67 -10.918 -6.049 4.964 1.00 0.00 C ATOM 0 H VAL A 67 -12.494 -7.129 3.291 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.201 -8.474 4.031 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.383 -7.371 5.847 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.506 -7.057 7.452 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.708 -8.777 7.042 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.393 -7.834 6.301 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.003 -5.304 5.755 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.884 -6.102 4.625 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -11.560 -5.767 4.129 1.00 0.00 H new ATOM 1089 N GLY A 68 -10.544 -10.590 5.282 1.00 0.00 N ATOM 1090 CA GLY A 68 -10.741 -11.988 5.751 1.00 0.00 C ATOM 1091 C GLY A 68 -10.439 -12.942 4.583 1.00 0.00 C ATOM 1092 O GLY A 68 -10.795 -14.104 4.615 1.00 0.00 O ATOM 0 H GLY A 68 -9.574 -10.273 5.273 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -10.083 -12.201 6.594 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -11.764 -12.130 6.101 1.00 0.00 H new ATOM 1096 N GLU A 69 -9.781 -12.453 3.549 1.00 0.00 N ATOM 1097 CA GLU A 69 -9.452 -13.314 2.382 1.00 0.00 C ATOM 1098 C GLU A 69 -8.082 -12.908 1.829 1.00 0.00 C ATOM 1099 O GLU A 69 -7.516 -11.902 2.222 1.00 0.00 O ATOM 1100 CB GLU A 69 -10.516 -13.136 1.297 1.00 0.00 C ATOM 1101 CG GLU A 69 -11.821 -13.795 1.749 1.00 0.00 C ATOM 1102 CD GLU A 69 -11.664 -15.316 1.715 1.00 0.00 C ATOM 1103 OE1 GLU A 69 -11.117 -15.814 0.745 1.00 0.00 O ATOM 1104 OE2 GLU A 69 -12.094 -15.957 2.660 1.00 0.00 O ATOM 0 H GLU A 69 -9.461 -11.488 3.473 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.428 -14.359 2.692 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.680 -12.076 1.104 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.176 -13.582 0.362 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.076 -13.468 2.757 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.640 -13.489 1.098 1.00 0.00 H new ATOM 1111 N GLU A 70 -7.540 -13.695 0.937 1.00 0.00 N ATOM 1112 CA GLU A 70 -6.194 -13.381 0.368 1.00 0.00 C ATOM 1113 C GLU A 70 -6.263 -13.109 -1.129 1.00 0.00 C ATOM 1114 O GLU A 70 -7.234 -13.411 -1.795 1.00 0.00 O ATOM 1115 CB GLU A 70 -5.258 -14.581 0.555 1.00 0.00 C ATOM 1116 CG GLU A 70 -5.974 -15.877 0.155 1.00 0.00 C ATOM 1117 CD GLU A 70 -6.499 -16.584 1.406 1.00 0.00 C ATOM 1118 OE1 GLU A 70 -7.164 -15.934 2.196 1.00 0.00 O ATOM 1119 OE2 GLU A 70 -6.227 -17.765 1.554 1.00 0.00 O ATOM 0 H GLU A 70 -7.973 -14.545 0.576 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.829 -12.496 0.890 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.361 -14.450 -0.051 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -4.935 -14.641 1.594 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.799 -15.654 -0.522 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.288 -16.531 -0.383 1.00 0.00 H new ATOM 1126 N PHE A 71 -5.184 -12.598 -1.659 1.00 0.00 N ATOM 1127 CA PHE A 71 -5.090 -12.357 -3.119 1.00 0.00 C ATOM 1128 C PHE A 71 -3.908 -13.177 -3.610 1.00 0.00 C ATOM 1129 O PHE A 71 -3.316 -13.930 -2.860 1.00 0.00 O ATOM 1130 CB PHE A 71 -4.818 -10.877 -3.464 1.00 0.00 C ATOM 1131 CG PHE A 71 -5.455 -9.912 -2.483 1.00 0.00 C ATOM 1132 CD1 PHE A 71 -6.711 -10.169 -1.919 1.00 0.00 C ATOM 1133 CD2 PHE A 71 -4.777 -8.729 -2.163 1.00 0.00 C ATOM 1134 CE1 PHE A 71 -7.278 -9.241 -1.034 1.00 0.00 C ATOM 1135 CE2 PHE A 71 -5.351 -7.805 -1.289 1.00 0.00 C ATOM 1136 CZ PHE A 71 -6.595 -8.060 -0.725 1.00 0.00 C ATOM 0 H PHE A 71 -4.353 -12.335 -1.129 1.00 0.00 H new ATOM 0 HA PHE A 71 -6.037 -12.630 -3.585 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -3.742 -10.707 -3.485 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -5.194 -10.668 -4.466 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -7.240 -11.078 -2.165 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -3.807 -8.531 -2.594 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -8.243 -9.438 -0.591 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.828 -6.891 -1.051 1.00 0.00 H new ATOM 0 HZ PHE A 71 -7.036 -7.345 -0.046 1.00 0.00 H new ATOM 1146 N GLU A 72 -3.547 -13.023 -4.844 1.00 0.00 N ATOM 1147 CA GLU A 72 -2.379 -13.777 -5.373 1.00 0.00 C ATOM 1148 C GLU A 72 -1.449 -12.822 -6.100 1.00 0.00 C ATOM 1149 O GLU A 72 -1.849 -11.765 -6.551 1.00 0.00 O ATOM 1150 CB GLU A 72 -2.833 -14.858 -6.341 1.00 0.00 C ATOM 1151 CG GLU A 72 -3.884 -15.731 -5.667 1.00 0.00 C ATOM 1152 CD GLU A 72 -4.690 -16.480 -6.730 1.00 0.00 C ATOM 1153 OE1 GLU A 72 -4.128 -17.361 -7.359 1.00 0.00 O ATOM 1154 OE2 GLU A 72 -5.855 -16.159 -6.898 1.00 0.00 O ATOM 0 H GLU A 72 -4.008 -12.408 -5.514 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.860 -14.245 -4.536 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.245 -14.405 -7.243 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.983 -15.466 -6.650 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.404 -16.441 -4.994 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.548 -15.115 -5.060 1.00 0.00 H new ATOM 1161 N GLU A 73 -0.211 -13.196 -6.214 1.00 0.00 N ATOM 1162 CA GLU A 73 0.774 -12.322 -6.914 1.00 0.00 C ATOM 1163 C GLU A 73 2.037 -13.112 -7.245 1.00 0.00 C ATOM 1164 O GLU A 73 2.106 -14.310 -7.053 1.00 0.00 O ATOM 1165 CB GLU A 73 1.133 -11.137 -6.011 1.00 0.00 C ATOM 1166 CG GLU A 73 0.278 -9.925 -6.390 1.00 0.00 C ATOM 1167 CD GLU A 73 1.093 -8.644 -6.205 1.00 0.00 C ATOM 1168 OE1 GLU A 73 1.730 -8.515 -5.172 1.00 0.00 O ATOM 1169 OE2 GLU A 73 1.065 -7.813 -7.098 1.00 0.00 O ATOM 0 H GLU A 73 0.167 -14.072 -5.853 1.00 0.00 H new ATOM 0 HA GLU A 73 0.332 -11.958 -7.841 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.967 -11.400 -4.966 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.191 -10.895 -6.115 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.054 -10.011 -7.425 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.618 -9.891 -5.770 1.00 0.00 H new ATOM 1280 N CYS A 81 4.202 -14.931 -4.793 1.00 0.00 N ATOM 1281 CA CYS A 81 3.790 -14.255 -3.528 1.00 0.00 C ATOM 1282 C CYS A 81 2.307 -13.903 -3.555 1.00 0.00 C ATOM 1283 O CYS A 81 1.773 -13.440 -4.542 1.00 0.00 O ATOM 1284 CB CYS A 81 4.617 -12.976 -3.334 1.00 0.00 C ATOM 1285 SG CYS A 81 4.401 -11.875 -4.756 1.00 0.00 S ATOM 0 HA CYS A 81 3.967 -14.940 -2.699 1.00 0.00 H new ATOM 0 HB2 CYS A 81 4.307 -12.468 -2.421 1.00 0.00 H new ATOM 0 HB3 CYS A 81 5.671 -13.229 -3.217 1.00 0.00 H new ATOM 0 HG CYS A 81 5.104 -10.796 -4.580 1.00 0.00 H new ATOM 1291 N LYS A 82 1.658 -14.108 -2.449 1.00 0.00 N ATOM 1292 CA LYS A 82 0.215 -13.787 -2.328 1.00 0.00 C ATOM 1293 C LYS A 82 0.058 -12.738 -1.237 1.00 0.00 C ATOM 1294 O LYS A 82 1.029 -12.204 -0.733 1.00 0.00 O ATOM 1295 CB LYS A 82 -0.553 -15.048 -1.941 1.00 0.00 C ATOM 1296 CG LYS A 82 0.044 -15.657 -0.659 1.00 0.00 C ATOM 1297 CD LYS A 82 -0.650 -16.990 -0.322 1.00 0.00 C ATOM 1298 CE LYS A 82 -2.173 -16.839 -0.407 1.00 0.00 C ATOM 1299 NZ LYS A 82 -2.821 -17.667 0.651 1.00 0.00 N ATOM 0 H LYS A 82 2.078 -14.494 -1.603 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.175 -13.411 -3.274 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -1.605 -14.809 -1.784 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -0.509 -15.774 -2.753 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.114 -15.820 -0.791 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.072 -14.960 0.171 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -0.316 -17.765 -1.012 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -0.366 -17.312 0.680 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.452 -15.792 -0.284 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.524 -17.149 -1.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -3.794 -17.896 0.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -2.282 -18.547 0.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.839 -17.136 1.545 1.00 0.00 H new ATOM 1313 N SER A 83 -1.151 -12.438 -0.875 1.00 0.00 N ATOM 1314 CA SER A 83 -1.380 -11.414 0.186 1.00 0.00 C ATOM 1315 C SER A 83 -2.598 -11.772 1.022 1.00 0.00 C ATOM 1316 O SER A 83 -3.263 -12.752 0.774 1.00 0.00 O ATOM 1317 CB SER A 83 -1.620 -10.065 -0.479 1.00 0.00 C ATOM 1318 OG SER A 83 -2.629 -10.219 -1.470 1.00 0.00 O ATOM 0 H SER A 83 -1.996 -12.855 -1.265 1.00 0.00 H new ATOM 0 HA SER A 83 -0.505 -11.375 0.835 1.00 0.00 H new ATOM 0 HB2 SER A 83 -1.928 -9.328 0.262 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.699 -9.697 -0.931 1.00 0.00 H new ATOM 0 HG SER A 83 -3.326 -9.543 -1.335 1.00 0.00 H new ATOM 1324 N LEU A 84 -2.895 -10.968 2.008 1.00 0.00 N ATOM 1325 CA LEU A 84 -4.092 -11.247 2.860 1.00 0.00 C ATOM 1326 C LEU A 84 -4.408 -10.043 3.742 1.00 0.00 C ATOM 1327 O LEU A 84 -3.613 -9.641 4.565 1.00 0.00 O ATOM 1328 CB LEU A 84 -3.837 -12.477 3.725 1.00 0.00 C ATOM 1329 CG LEU A 84 -5.098 -13.339 3.745 1.00 0.00 C ATOM 1330 CD1 LEU A 84 -4.718 -14.790 4.019 1.00 0.00 C ATOM 1331 CD2 LEU A 84 -6.045 -12.838 4.833 1.00 0.00 C ATOM 0 H LEU A 84 -2.365 -10.134 2.261 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.948 -11.438 2.212 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.997 -13.048 3.330 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.570 -12.176 4.738 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.598 -13.274 2.778 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.618 -15.405 4.033 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.048 -15.145 3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.216 -14.859 4.984 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.944 -13.455 4.845 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.550 -12.899 5.802 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.318 -11.803 4.629 1.00 0.00 H new ATOM 1343 N VAL A 85 -5.571 -9.467 3.560 1.00 0.00 N ATOM 1344 CA VAL A 85 -5.963 -8.269 4.361 1.00 0.00 C ATOM 1345 C VAL A 85 -6.685 -8.684 5.655 1.00 0.00 C ATOM 1346 O VAL A 85 -7.431 -9.641 5.694 1.00 0.00 O ATOM 1347 CB VAL A 85 -6.876 -7.378 3.496 1.00 0.00 C ATOM 1348 CG1 VAL A 85 -7.495 -6.244 4.333 1.00 0.00 C ATOM 1349 CG2 VAL A 85 -6.046 -6.767 2.366 1.00 0.00 C ATOM 0 H VAL A 85 -6.270 -9.779 2.885 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.069 -7.716 4.648 1.00 0.00 H new ATOM 0 HB VAL A 85 -7.682 -7.992 3.093 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -8.134 -5.631 3.698 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -8.088 -6.671 5.142 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -6.701 -5.626 4.753 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.683 -6.134 1.748 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.240 -6.167 2.790 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -5.622 -7.563 1.754 1.00 0.00 H new ATOM 1359 N LYS A 86 -6.468 -7.929 6.703 1.00 0.00 N ATOM 1360 CA LYS A 86 -7.123 -8.202 8.009 1.00 0.00 C ATOM 1361 C LYS A 86 -7.324 -6.870 8.742 1.00 0.00 C ATOM 1362 O LYS A 86 -7.305 -5.816 8.140 1.00 0.00 O ATOM 1363 CB LYS A 86 -6.233 -9.132 8.840 1.00 0.00 C ATOM 1364 CG LYS A 86 -7.087 -10.183 9.559 1.00 0.00 C ATOM 1365 CD LYS A 86 -7.851 -11.040 8.538 1.00 0.00 C ATOM 1366 CE LYS A 86 -9.342 -10.674 8.556 1.00 0.00 C ATOM 1367 NZ LYS A 86 -10.119 -11.791 9.165 1.00 0.00 N ATOM 0 H LYS A 86 -5.850 -7.118 6.703 1.00 0.00 H new ATOM 0 HA LYS A 86 -8.088 -8.685 7.855 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.506 -9.624 8.194 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.669 -8.551 9.569 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.451 -10.819 10.174 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.791 -9.692 10.231 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.442 -10.883 7.540 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.725 -12.097 8.771 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.496 -9.757 9.125 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.693 -10.483 7.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.136 -11.614 9.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.864 -12.685 8.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.900 -11.854 10.180 1.00 0.00 H new ATOM 1381 N TRP A 87 -7.534 -6.919 10.027 1.00 0.00 N ATOM 1382 CA TRP A 87 -7.758 -5.668 10.815 1.00 0.00 C ATOM 1383 C TRP A 87 -6.762 -5.556 11.964 1.00 0.00 C ATOM 1384 O TRP A 87 -5.890 -6.381 12.150 1.00 0.00 O ATOM 1385 CB TRP A 87 -9.153 -5.705 11.405 1.00 0.00 C ATOM 1386 CG TRP A 87 -10.120 -5.711 10.298 1.00 0.00 C ATOM 1387 CD1 TRP A 87 -10.724 -6.806 9.820 1.00 0.00 C ATOM 1388 CD2 TRP A 87 -10.581 -4.592 9.499 1.00 0.00 C ATOM 1389 NE1 TRP A 87 -11.567 -6.431 8.804 1.00 0.00 N ATOM 1390 CE2 TRP A 87 -11.506 -5.077 8.558 1.00 0.00 C ATOM 1391 CE3 TRP A 87 -10.295 -3.217 9.507 1.00 0.00 C ATOM 1392 CZ2 TRP A 87 -12.131 -4.232 7.652 1.00 0.00 C ATOM 1393 CZ3 TRP A 87 -10.920 -2.359 8.590 1.00 0.00 C ATOM 1394 CH2 TRP A 87 -11.838 -2.869 7.664 1.00 0.00 C ATOM 0 H TRP A 87 -7.561 -7.780 10.574 1.00 0.00 H new ATOM 0 HA TRP A 87 -7.631 -4.815 10.148 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -9.280 -6.592 12.025 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -9.317 -4.840 12.048 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -10.573 -7.815 10.174 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -12.167 -7.078 8.292 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -9.591 -2.818 10.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -12.841 -4.628 6.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -10.693 -1.303 8.598 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -12.319 -2.207 6.959 1.00 0.00 H new ATOM 1405 N GLU A 88 -6.923 -4.526 12.740 1.00 0.00 N ATOM 1406 CA GLU A 88 -6.043 -4.289 13.914 1.00 0.00 C ATOM 1407 C GLU A 88 -6.946 -3.843 15.068 1.00 0.00 C ATOM 1408 O GLU A 88 -6.983 -4.446 16.124 1.00 0.00 O ATOM 1409 CB GLU A 88 -5.016 -3.194 13.535 1.00 0.00 C ATOM 1410 CG GLU A 88 -4.539 -2.387 14.756 1.00 0.00 C ATOM 1411 CD GLU A 88 -3.842 -3.318 15.750 1.00 0.00 C ATOM 1412 OE1 GLU A 88 -4.493 -4.225 16.239 1.00 0.00 O ATOM 1413 OE2 GLU A 88 -2.667 -3.107 16.004 1.00 0.00 O ATOM 0 H GLU A 88 -7.647 -3.820 12.606 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.492 -5.181 14.213 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.156 -3.658 13.052 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -5.463 -2.517 12.808 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.855 -1.600 14.439 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.387 -1.898 15.235 1.00 0.00 H new ATOM 1420 N SER A 89 -7.668 -2.783 14.851 1.00 0.00 N ATOM 1421 CA SER A 89 -8.581 -2.250 15.894 1.00 0.00 C ATOM 1422 C SER A 89 -10.012 -2.246 15.356 1.00 0.00 C ATOM 1423 O SER A 89 -10.928 -2.754 15.970 1.00 0.00 O ATOM 1424 CB SER A 89 -8.168 -0.815 16.220 1.00 0.00 C ATOM 1425 OG SER A 89 -8.007 -0.091 15.002 1.00 0.00 O ATOM 0 H SER A 89 -7.663 -2.254 13.979 1.00 0.00 H new ATOM 0 HA SER A 89 -8.527 -2.870 16.789 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.924 -0.338 16.844 1.00 0.00 H new ATOM 0 HB3 SER A 89 -7.237 -0.811 16.787 1.00 0.00 H new ATOM 0 HG SER A 89 -7.744 0.831 15.202 1.00 0.00 H new ATOM 1431 N GLU A 90 -10.187 -1.663 14.204 1.00 0.00 N ATOM 1432 CA GLU A 90 -11.530 -1.570 13.550 1.00 0.00 C ATOM 1433 C GLU A 90 -11.402 -0.595 12.382 1.00 0.00 C ATOM 1434 O GLU A 90 -11.980 -0.778 11.330 1.00 0.00 O ATOM 1435 CB GLU A 90 -12.591 -1.045 14.531 1.00 0.00 C ATOM 1436 CG GLU A 90 -12.097 0.246 15.193 1.00 0.00 C ATOM 1437 CD GLU A 90 -12.576 0.293 16.645 1.00 0.00 C ATOM 1438 OE1 GLU A 90 -12.579 -0.748 17.282 1.00 0.00 O ATOM 1439 OE2 GLU A 90 -12.931 1.369 17.097 1.00 0.00 O ATOM 0 H GLU A 90 -9.433 -1.232 13.669 1.00 0.00 H new ATOM 0 HA GLU A 90 -11.844 -2.559 13.216 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -13.526 -0.858 14.003 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -12.799 -1.797 15.292 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -11.009 0.292 15.157 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.471 1.113 14.648 1.00 0.00 H new ATOM 1446 N ASN A 91 -10.602 0.421 12.563 1.00 0.00 N ATOM 1447 CA ASN A 91 -10.358 1.413 11.481 1.00 0.00 C ATOM 1448 C ASN A 91 -8.919 1.255 10.983 1.00 0.00 C ATOM 1449 O ASN A 91 -8.484 1.982 10.111 1.00 0.00 O ATOM 1450 CB ASN A 91 -10.548 2.825 12.016 1.00 0.00 C ATOM 1451 CG ASN A 91 -11.978 3.011 12.532 1.00 0.00 C ATOM 1452 OD1 ASN A 91 -12.722 2.061 12.670 1.00 0.00 O ATOM 1453 ND2 ASN A 91 -12.396 4.215 12.815 1.00 0.00 N ATOM 0 H ASN A 91 -10.099 0.607 13.431 1.00 0.00 H new ATOM 0 HA ASN A 91 -11.062 1.242 10.667 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -9.837 3.015 12.820 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -10.341 3.550 11.229 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -13.348 4.358 13.152 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -11.771 5.012 12.699 1.00 0.00 H new ATOM 1460 N LYS A 92 -8.175 0.307 11.521 1.00 0.00 N ATOM 1461 CA LYS A 92 -6.793 0.093 11.053 1.00 0.00 C ATOM 1462 C LYS A 92 -6.715 -1.341 10.538 1.00 0.00 C ATOM 1463 O LYS A 92 -6.992 -2.275 11.257 1.00 0.00 O ATOM 1464 CB LYS A 92 -5.818 0.289 12.213 1.00 0.00 C ATOM 1465 CG LYS A 92 -4.418 0.526 11.658 1.00 0.00 C ATOM 1466 CD LYS A 92 -3.674 -0.804 11.537 1.00 0.00 C ATOM 1467 CE LYS A 92 -2.203 -0.537 11.214 1.00 0.00 C ATOM 1468 NZ LYS A 92 -1.484 -0.152 12.461 1.00 0.00 N ATOM 0 H LYS A 92 -8.482 -0.320 12.265 1.00 0.00 H new ATOM 0 HA LYS A 92 -6.530 0.801 10.268 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.128 1.136 12.825 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -5.822 -0.589 12.859 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.481 1.007 10.682 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.868 1.202 12.312 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -3.757 -1.366 12.468 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -4.124 -1.415 10.755 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.748 -1.427 10.779 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -2.121 0.258 10.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.813 0.614 12.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -2.171 0.173 13.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -0.966 -0.975 12.831 1.00 0.00 H new ATOM 1482 N MET A 93 -6.360 -1.522 9.300 1.00 0.00 N ATOM 1483 CA MET A 93 -6.279 -2.890 8.731 1.00 0.00 C ATOM 1484 C MET A 93 -4.904 -3.120 8.141 1.00 0.00 C ATOM 1485 O MET A 93 -4.155 -2.199 7.880 1.00 0.00 O ATOM 1486 CB MET A 93 -7.337 -3.132 7.637 1.00 0.00 C ATOM 1487 CG MET A 93 -7.722 -1.836 6.909 1.00 0.00 C ATOM 1488 SD MET A 93 -8.031 -2.184 5.156 1.00 0.00 S ATOM 1489 CE MET A 93 -9.233 -3.515 5.399 1.00 0.00 C ATOM 0 H MET A 93 -6.120 -0.772 8.652 1.00 0.00 H new ATOM 0 HA MET A 93 -6.469 -3.588 9.546 1.00 0.00 H new ATOM 0 HB2 MET A 93 -6.953 -3.853 6.915 1.00 0.00 H new ATOM 0 HB3 MET A 93 -8.227 -3.574 8.085 1.00 0.00 H new ATOM 0 HG2 MET A 93 -8.612 -1.402 7.365 1.00 0.00 H new ATOM 0 HG3 MET A 93 -6.923 -1.101 7.008 1.00 0.00 H new ATOM 0 HE1 MET A 93 -9.605 -3.850 4.431 1.00 0.00 H new ATOM 0 HE2 MET A 93 -8.754 -4.349 5.912 1.00 0.00 H new ATOM 0 HE3 MET A 93 -10.065 -3.149 6.001 1.00 0.00 H new ATOM 1499 N VAL A 94 -4.576 -4.357 7.948 1.00 0.00 N ATOM 1500 CA VAL A 94 -3.248 -4.716 7.387 1.00 0.00 C ATOM 1501 C VAL A 94 -3.426 -5.524 6.112 1.00 0.00 C ATOM 1502 O VAL A 94 -4.522 -5.747 5.639 1.00 0.00 O ATOM 1503 CB VAL A 94 -2.484 -5.572 8.399 1.00 0.00 C ATOM 1504 CG1 VAL A 94 -1.950 -4.695 9.531 1.00 0.00 C ATOM 1505 CG2 VAL A 94 -3.428 -6.631 8.966 1.00 0.00 C ATOM 0 H VAL A 94 -5.180 -5.152 8.158 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.697 -3.801 7.171 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.641 -6.055 7.905 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.408 -5.314 10.246 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.278 -3.941 9.121 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.783 -4.204 10.035 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.892 -7.247 9.689 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.269 -6.143 9.458 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -3.797 -7.260 8.156 1.00 0.00 H new ATOM 1515 N CYS A 95 -2.338 -5.973 5.575 1.00 0.00 N ATOM 1516 CA CYS A 95 -2.371 -6.799 4.347 1.00 0.00 C ATOM 1517 C CYS A 95 -1.016 -7.465 4.225 1.00 0.00 C ATOM 1518 O CYS A 95 -0.171 -7.035 3.469 1.00 0.00 O ATOM 1519 CB CYS A 95 -2.636 -5.927 3.131 1.00 0.00 C ATOM 1520 SG CYS A 95 -2.860 -6.979 1.675 1.00 0.00 S ATOM 0 H CYS A 95 -1.403 -5.798 5.944 1.00 0.00 H new ATOM 0 HA CYS A 95 -3.167 -7.541 4.402 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -3.525 -5.318 3.293 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -1.804 -5.241 2.973 1.00 0.00 H new ATOM 0 HG CYS A 95 -2.871 -6.242 0.604 1.00 0.00 H new ATOM 1526 N GLU A 96 -0.790 -8.487 5.002 1.00 0.00 N ATOM 1527 CA GLU A 96 0.538 -9.154 4.975 1.00 0.00 C ATOM 1528 C GLU A 96 0.757 -9.874 3.649 1.00 0.00 C ATOM 1529 O GLU A 96 0.119 -10.868 3.353 1.00 0.00 O ATOM 1530 CB GLU A 96 0.649 -10.159 6.118 1.00 0.00 C ATOM 1531 CG GLU A 96 2.098 -10.642 6.205 1.00 0.00 C ATOM 1532 CD GLU A 96 2.194 -11.806 7.193 1.00 0.00 C ATOM 1533 OE1 GLU A 96 1.605 -11.704 8.257 1.00 0.00 O ATOM 1534 OE2 GLU A 96 2.855 -12.779 6.870 1.00 0.00 O ATOM 0 H GLU A 96 -1.466 -8.887 5.652 1.00 0.00 H new ATOM 0 HA GLU A 96 1.302 -8.385 5.091 1.00 0.00 H new ATOM 0 HB2 GLU A 96 0.347 -9.697 7.058 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -0.021 -11.002 5.947 1.00 0.00 H new ATOM 0 HG2 GLU A 96 2.446 -10.957 5.221 1.00 0.00 H new ATOM 0 HG3 GLU A 96 2.745 -9.826 6.526 1.00 0.00 H new ATOM 1541 N GLN A 97 1.676 -9.386 2.861 1.00 0.00 N ATOM 1542 CA GLN A 97 1.981 -10.029 1.564 1.00 0.00 C ATOM 1543 C GLN A 97 3.261 -10.857 1.722 1.00 0.00 C ATOM 1544 O GLN A 97 4.280 -10.347 2.150 1.00 0.00 O ATOM 1545 CB GLN A 97 2.198 -8.942 0.514 1.00 0.00 C ATOM 1546 CG GLN A 97 0.932 -8.095 0.379 1.00 0.00 C ATOM 1547 CD GLN A 97 0.739 -7.682 -1.083 1.00 0.00 C ATOM 1548 OE1 GLN A 97 1.677 -7.680 -1.856 1.00 0.00 O ATOM 1549 NE2 GLN A 97 -0.447 -7.328 -1.496 1.00 0.00 N ATOM 0 H GLN A 97 2.233 -8.557 3.069 1.00 0.00 H new ATOM 0 HA GLN A 97 1.160 -10.675 1.253 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.040 -8.311 0.798 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.448 -9.395 -0.445 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.066 -8.660 0.724 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.007 -7.209 1.010 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -1.234 -7.330 -0.848 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.587 -7.050 -2.467 1.00 0.00 H new ATOM 1558 N LYS A 98 3.220 -12.128 1.402 1.00 0.00 N ATOM 1559 CA LYS A 98 4.450 -12.973 1.559 1.00 0.00 C ATOM 1560 C LYS A 98 4.770 -13.696 0.248 1.00 0.00 C ATOM 1561 O LYS A 98 3.952 -13.761 -0.646 1.00 0.00 O ATOM 1562 CB LYS A 98 4.215 -14.008 2.662 1.00 0.00 C ATOM 1563 CG LYS A 98 2.938 -14.795 2.362 1.00 0.00 C ATOM 1564 CD LYS A 98 2.760 -15.898 3.406 1.00 0.00 C ATOM 1565 CE LYS A 98 1.891 -17.015 2.826 1.00 0.00 C ATOM 1566 NZ LYS A 98 1.110 -17.657 3.922 1.00 0.00 N ATOM 0 H LYS A 98 2.399 -12.614 1.043 1.00 0.00 H new ATOM 0 HA LYS A 98 5.290 -12.330 1.823 1.00 0.00 H new ATOM 0 HB2 LYS A 98 5.066 -14.686 2.726 1.00 0.00 H new ATOM 0 HB3 LYS A 98 4.130 -13.512 3.629 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.076 -14.128 2.372 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.992 -15.230 1.364 1.00 0.00 H new ATOM 0 HD2 LYS A 98 3.732 -16.295 3.701 1.00 0.00 H new ATOM 0 HD3 LYS A 98 2.296 -15.491 4.305 1.00 0.00 H new ATOM 0 HE2 LYS A 98 1.215 -16.611 2.072 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.517 -17.756 2.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 0.519 -18.417 3.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 1.763 -18.056 4.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 0.502 -16.946 4.378 1.00 0.00 H new ATOM 1580 N LEU A 99 5.956 -14.253 0.135 1.00 0.00 N ATOM 1581 CA LEU A 99 6.322 -14.991 -1.120 1.00 0.00 C ATOM 1582 C LEU A 99 6.168 -16.494 -0.888 1.00 0.00 C ATOM 1583 O LEU A 99 6.905 -17.296 -1.427 1.00 0.00 O ATOM 1584 CB LEU A 99 7.758 -14.678 -1.594 1.00 0.00 C ATOM 1585 CG LEU A 99 8.688 -14.403 -0.415 1.00 0.00 C ATOM 1586 CD1 LEU A 99 10.107 -14.862 -0.762 1.00 0.00 C ATOM 1587 CD2 LEU A 99 8.702 -12.902 -0.128 1.00 0.00 C ATOM 0 H LEU A 99 6.681 -14.229 0.852 1.00 0.00 H new ATOM 0 HA LEU A 99 5.646 -14.657 -1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 99 8.142 -15.517 -2.174 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.743 -13.813 -2.257 1.00 0.00 H new ATOM 0 HG LEU A 99 8.335 -14.946 0.462 1.00 0.00 H new ATOM 0 HD11 LEU A 99 10.769 -14.665 0.081 1.00 0.00 H new ATOM 0 HD12 LEU A 99 10.101 -15.931 -0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 99 10.462 -14.318 -1.637 1.00 0.00 H new ATOM 0 HD21 LEU A 99 9.365 -12.699 0.713 1.00 0.00 H new ATOM 0 HD22 LEU A 99 9.058 -12.367 -1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 99 7.693 -12.569 0.116 1.00 0.00 H new ATOM 1599 N LEU A 100 5.195 -16.876 -0.097 1.00 0.00 N ATOM 1600 CA LEU A 100 4.953 -18.327 0.175 1.00 0.00 C ATOM 1601 C LEU A 100 6.209 -18.996 0.745 1.00 0.00 C ATOM 1602 O LEU A 100 6.363 -20.201 0.678 1.00 0.00 O ATOM 1603 CB LEU A 100 4.573 -19.015 -1.128 1.00 0.00 C ATOM 1604 CG LEU A 100 3.271 -18.410 -1.661 1.00 0.00 C ATOM 1605 CD1 LEU A 100 3.053 -18.848 -3.112 1.00 0.00 C ATOM 1606 CD2 LEU A 100 2.099 -18.887 -0.800 1.00 0.00 C ATOM 0 H LEU A 100 4.553 -16.239 0.375 1.00 0.00 H new ATOM 0 HA LEU A 100 4.150 -18.416 0.907 1.00 0.00 H new ATOM 0 HB2 LEU A 100 5.370 -18.895 -1.862 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.449 -20.086 -0.964 1.00 0.00 H new ATOM 0 HG LEU A 100 3.334 -17.323 -1.620 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.126 -18.415 -3.487 1.00 0.00 H new ATOM 0 HD12 LEU A 100 3.887 -18.506 -3.725 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.991 -19.935 -3.158 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.171 -18.457 -1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.038 -19.975 -0.839 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.252 -18.569 0.231 1.00 0.00 H new ATOM 1618 N LYS A 101 7.102 -18.226 1.301 1.00 0.00 N ATOM 1619 CA LYS A 101 8.350 -18.804 1.879 1.00 0.00 C ATOM 1620 C LYS A 101 9.150 -17.693 2.553 1.00 0.00 C ATOM 1621 O LYS A 101 9.442 -17.748 3.733 1.00 0.00 O ATOM 1622 CB LYS A 101 9.187 -19.427 0.764 1.00 0.00 C ATOM 1623 CG LYS A 101 10.110 -20.493 1.354 1.00 0.00 C ATOM 1624 CD LYS A 101 11.409 -19.839 1.829 1.00 0.00 C ATOM 1625 CE LYS A 101 12.497 -20.906 1.969 1.00 0.00 C ATOM 1626 NZ LYS A 101 13.805 -20.248 2.247 1.00 0.00 N ATOM 0 H LYS A 101 7.021 -17.212 1.381 1.00 0.00 H new ATOM 0 HA LYS A 101 8.095 -19.570 2.611 1.00 0.00 H new ATOM 0 HB2 LYS A 101 8.536 -19.871 0.011 1.00 0.00 H new ATOM 0 HB3 LYS A 101 9.775 -18.658 0.263 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.617 -20.995 2.187 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.327 -21.256 0.606 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.724 -19.074 1.119 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.249 -19.340 2.785 1.00 0.00 H new ATOM 0 HE2 LYS A 101 12.245 -21.594 2.776 1.00 0.00 H new ATOM 0 HE3 LYS A 101 12.562 -21.497 1.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 14.545 -20.973 2.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 14.046 -19.609 1.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 13.739 -19.703 3.130 1.00 0.00 H new ATOM 1640 N GLY A 102 9.496 -16.684 1.805 1.00 0.00 N ATOM 1641 CA GLY A 102 10.273 -15.547 2.376 1.00 0.00 C ATOM 1642 C GLY A 102 11.765 -15.875 2.362 1.00 0.00 C ATOM 1643 O GLY A 102 12.173 -16.982 2.660 1.00 0.00 O ATOM 0 H GLY A 102 9.272 -16.597 0.814 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.086 -14.642 1.799 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.945 -15.348 3.396 1.00 0.00 H new ATOM 1647 N GLU A 103 12.577 -14.908 2.031 1.00 0.00 N ATOM 1648 CA GLU A 103 14.050 -15.128 2.008 1.00 0.00 C ATOM 1649 C GLU A 103 14.703 -14.151 2.984 1.00 0.00 C ATOM 1650 O GLU A 103 15.578 -14.510 3.749 1.00 0.00 O ATOM 1651 CB GLU A 103 14.595 -14.902 0.592 1.00 0.00 C ATOM 1652 CG GLU A 103 14.127 -13.545 0.059 1.00 0.00 C ATOM 1653 CD GLU A 103 14.577 -13.388 -1.394 1.00 0.00 C ATOM 1654 OE1 GLU A 103 14.188 -14.211 -2.207 1.00 0.00 O ATOM 1655 OE2 GLU A 103 15.304 -12.448 -1.671 1.00 0.00 O ATOM 0 H GLU A 103 12.279 -13.967 1.773 1.00 0.00 H new ATOM 0 HA GLU A 103 14.276 -16.153 2.303 1.00 0.00 H new ATOM 0 HB2 GLU A 103 15.684 -14.941 0.602 1.00 0.00 H new ATOM 0 HB3 GLU A 103 14.254 -15.699 -0.069 1.00 0.00 H new ATOM 0 HG2 GLU A 103 13.042 -13.470 0.125 1.00 0.00 H new ATOM 0 HG3 GLU A 103 14.540 -12.741 0.668 1.00 0.00 H new ATOM 1662 N GLY A 104 14.261 -12.922 2.973 1.00 0.00 N ATOM 1663 CA GLY A 104 14.815 -11.904 3.903 1.00 0.00 C ATOM 1664 C GLY A 104 13.665 -10.994 4.364 1.00 0.00 C ATOM 1665 O GLY A 104 13.016 -11.295 5.346 1.00 0.00 O ATOM 0 H GLY A 104 13.530 -12.579 2.350 1.00 0.00 H new ATOM 0 HA2 GLY A 104 15.283 -12.388 4.760 1.00 0.00 H new ATOM 0 HA3 GLY A 104 15.588 -11.317 3.407 1.00 0.00 H new ATOM 1669 N PRO A 105 13.420 -9.910 3.645 1.00 0.00 N ATOM 1670 CA PRO A 105 12.331 -8.984 3.989 1.00 0.00 C ATOM 1671 C PRO A 105 10.998 -9.501 3.427 1.00 0.00 C ATOM 1672 O PRO A 105 10.864 -10.674 3.129 1.00 0.00 O ATOM 1673 CB PRO A 105 12.750 -7.675 3.320 1.00 0.00 C ATOM 1674 CG PRO A 105 13.727 -8.050 2.179 1.00 0.00 C ATOM 1675 CD PRO A 105 14.192 -9.496 2.447 1.00 0.00 C ATOM 0 HA PRO A 105 12.179 -8.870 5.062 1.00 0.00 H new ATOM 0 HB2 PRO A 105 11.882 -7.146 2.927 1.00 0.00 H new ATOM 0 HB3 PRO A 105 13.231 -7.010 4.038 1.00 0.00 H new ATOM 0 HG2 PRO A 105 13.235 -7.976 1.209 1.00 0.00 H new ATOM 0 HG3 PRO A 105 14.577 -7.368 2.158 1.00 0.00 H new ATOM 0 HD2 PRO A 105 13.985 -10.145 1.596 1.00 0.00 H new ATOM 0 HD3 PRO A 105 15.266 -9.542 2.630 1.00 0.00 H new ATOM 1683 N LYS A 106 10.010 -8.646 3.294 1.00 0.00 N ATOM 1684 CA LYS A 106 8.690 -9.101 2.770 1.00 0.00 C ATOM 1685 C LYS A 106 7.817 -7.895 2.412 1.00 0.00 C ATOM 1686 O LYS A 106 8.138 -6.765 2.727 1.00 0.00 O ATOM 1687 CB LYS A 106 8.001 -9.917 3.857 1.00 0.00 C ATOM 1688 CG LYS A 106 7.366 -11.169 3.248 1.00 0.00 C ATOM 1689 CD LYS A 106 7.411 -12.312 4.264 1.00 0.00 C ATOM 1690 CE LYS A 106 8.831 -12.877 4.336 1.00 0.00 C ATOM 1691 NZ LYS A 106 8.853 -14.049 5.257 1.00 0.00 N ATOM 0 H LYS A 106 10.065 -7.654 3.527 1.00 0.00 H new ATOM 0 HA LYS A 106 8.838 -9.702 1.873 1.00 0.00 H new ATOM 0 HB2 LYS A 106 8.723 -10.201 4.623 1.00 0.00 H new ATOM 0 HB3 LYS A 106 7.237 -9.313 4.347 1.00 0.00 H new ATOM 0 HG2 LYS A 106 6.335 -10.964 2.962 1.00 0.00 H new ATOM 0 HG3 LYS A 106 7.898 -11.454 2.340 1.00 0.00 H new ATOM 0 HD2 LYS A 106 7.101 -11.953 5.245 1.00 0.00 H new ATOM 0 HD3 LYS A 106 6.711 -13.096 3.976 1.00 0.00 H new ATOM 0 HE2 LYS A 106 9.166 -13.175 3.343 1.00 0.00 H new ATOM 0 HE3 LYS A 106 9.521 -12.111 4.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 9.818 -14.434 5.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 8.550 -13.750 6.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 8.206 -14.782 4.902 1.00 0.00 H new ATOM 1705 N THR A 107 6.706 -8.139 1.765 1.00 0.00 N ATOM 1706 CA THR A 107 5.792 -7.031 1.380 1.00 0.00 C ATOM 1707 C THR A 107 4.567 -7.044 2.296 1.00 0.00 C ATOM 1708 O THR A 107 4.315 -8.004 2.996 1.00 0.00 O ATOM 1709 CB THR A 107 5.343 -7.242 -0.071 1.00 0.00 C ATOM 1710 OG1 THR A 107 5.204 -8.633 -0.333 1.00 0.00 O ATOM 1711 CG2 THR A 107 6.377 -6.659 -1.028 1.00 0.00 C ATOM 0 H THR A 107 6.393 -9.069 1.486 1.00 0.00 H new ATOM 0 HA THR A 107 6.306 -6.075 1.475 1.00 0.00 H new ATOM 0 HB THR A 107 4.387 -6.740 -0.218 1.00 0.00 H new ATOM 0 HG1 THR A 107 4.915 -8.764 -1.260 1.00 0.00 H new ATOM 0 HG21 THR A 107 6.049 -6.814 -2.056 1.00 0.00 H new ATOM 0 HG22 THR A 107 6.486 -5.591 -0.839 1.00 0.00 H new ATOM 0 HG23 THR A 107 7.335 -7.155 -0.874 1.00 0.00 H new ATOM 1719 N SER A 108 3.807 -5.976 2.295 1.00 0.00 N ATOM 1720 CA SER A 108 2.586 -5.895 3.158 1.00 0.00 C ATOM 1721 C SER A 108 2.044 -4.465 3.104 1.00 0.00 C ATOM 1722 O SER A 108 2.700 -3.574 2.601 1.00 0.00 O ATOM 1723 CB SER A 108 2.943 -6.230 4.611 1.00 0.00 C ATOM 1724 OG SER A 108 4.242 -5.730 4.902 1.00 0.00 O ATOM 0 H SER A 108 3.982 -5.147 1.727 1.00 0.00 H new ATOM 0 HA SER A 108 1.842 -6.605 2.798 1.00 0.00 H new ATOM 0 HB2 SER A 108 2.211 -5.790 5.288 1.00 0.00 H new ATOM 0 HB3 SER A 108 2.913 -7.309 4.766 1.00 0.00 H new ATOM 0 HG SER A 108 4.473 -5.941 5.831 1.00 0.00 H new ATOM 1730 N TRP A 109 0.878 -4.224 3.656 1.00 0.00 N ATOM 1731 CA TRP A 109 0.343 -2.827 3.675 1.00 0.00 C ATOM 1732 C TRP A 109 -0.739 -2.698 4.714 1.00 0.00 C ATOM 1733 O TRP A 109 -1.524 -3.602 4.931 1.00 0.00 O ATOM 1734 CB TRP A 109 -0.173 -2.352 2.298 1.00 0.00 C ATOM 1735 CG TRP A 109 -1.407 -3.043 1.798 1.00 0.00 C ATOM 1736 CD1 TRP A 109 -1.434 -3.789 0.675 1.00 0.00 C ATOM 1737 CD2 TRP A 109 -2.791 -3.003 2.297 1.00 0.00 C ATOM 1738 NE1 TRP A 109 -2.726 -4.224 0.447 1.00 0.00 N ATOM 1739 CE2 TRP A 109 -3.598 -3.774 1.417 1.00 0.00 C ATOM 1740 CE3 TRP A 109 -3.430 -2.401 3.412 1.00 0.00 C ATOM 1741 CZ2 TRP A 109 -4.968 -3.935 1.628 1.00 0.00 C ATOM 1742 CZ3 TRP A 109 -4.806 -2.570 3.618 1.00 0.00 C ATOM 1743 CH2 TRP A 109 -5.569 -3.333 2.730 1.00 0.00 C ATOM 0 H TRP A 109 0.280 -4.927 4.090 1.00 0.00 H new ATOM 0 HA TRP A 109 1.179 -2.177 3.932 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -0.374 -1.282 2.354 1.00 0.00 H new ATOM 0 HB3 TRP A 109 0.622 -2.489 1.565 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -0.580 -4.012 0.052 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -3.002 -4.807 -0.343 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -2.852 -1.809 4.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -5.558 -4.523 0.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -5.281 -2.107 4.470 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -6.629 -3.456 2.899 1.00 0.00 H new ATOM 1754 N THR A 110 -0.779 -1.569 5.371 1.00 0.00 N ATOM 1755 CA THR A 110 -1.814 -1.359 6.415 1.00 0.00 C ATOM 1756 C THR A 110 -2.506 -0.018 6.210 1.00 0.00 C ATOM 1757 O THR A 110 -1.934 1.034 6.402 1.00 0.00 O ATOM 1758 CB THR A 110 -1.182 -1.404 7.801 1.00 0.00 C ATOM 1759 OG1 THR A 110 -0.408 -0.231 8.009 1.00 0.00 O ATOM 1760 CG2 THR A 110 -0.291 -2.641 7.923 1.00 0.00 C ATOM 0 H THR A 110 -0.140 -0.787 5.228 1.00 0.00 H new ATOM 0 HA THR A 110 -2.553 -2.156 6.334 1.00 0.00 H new ATOM 0 HB THR A 110 -1.968 -1.455 8.555 1.00 0.00 H new ATOM 0 HG1 THR A 110 -0.848 0.532 7.579 1.00 0.00 H new ATOM 0 HG21 THR A 110 0.159 -2.669 8.915 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.891 -3.538 7.771 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.495 -2.599 7.169 1.00 0.00 H new ATOM 1768 N ARG A 111 -3.750 -0.069 5.842 1.00 0.00 N ATOM 1769 CA ARG A 111 -4.541 1.180 5.627 1.00 0.00 C ATOM 1770 C ARG A 111 -5.131 1.601 6.967 1.00 0.00 C ATOM 1771 O ARG A 111 -5.786 0.822 7.608 1.00 0.00 O ATOM 1772 CB ARG A 111 -5.668 0.892 4.627 1.00 0.00 C ATOM 1773 CG ARG A 111 -5.102 0.852 3.207 1.00 0.00 C ATOM 1774 CD ARG A 111 -6.210 0.468 2.226 1.00 0.00 C ATOM 1775 NE ARG A 111 -5.822 0.885 0.848 1.00 0.00 N ATOM 1776 CZ ARG A 111 -4.784 0.343 0.270 1.00 0.00 C ATOM 1777 NH1 ARG A 111 -4.582 -0.943 0.361 1.00 0.00 N ATOM 1778 NH2 ARG A 111 -3.947 1.088 -0.400 1.00 0.00 N ATOM 0 H ARG A 111 -4.265 -0.934 5.677 1.00 0.00 H new ATOM 0 HA ARG A 111 -3.910 1.976 5.231 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -6.144 -0.059 4.866 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -6.437 1.661 4.700 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -4.688 1.825 2.942 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -4.286 0.132 3.150 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -6.381 -0.608 2.257 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -7.146 0.948 2.512 1.00 0.00 H new ATOM 0 HE ARG A 111 -6.367 1.593 0.357 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -5.235 -1.526 0.884 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -3.771 -1.365 -0.091 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -4.104 2.093 -0.472 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -3.136 0.665 -0.851 1.00 0.00 H new ATOM 1792 N GLU A 112 -4.905 2.813 7.407 1.00 0.00 N ATOM 1793 CA GLU A 112 -5.470 3.228 8.726 1.00 0.00 C ATOM 1794 C GLU A 112 -6.227 4.539 8.580 1.00 0.00 C ATOM 1795 O GLU A 112 -5.921 5.352 7.737 1.00 0.00 O ATOM 1796 CB GLU A 112 -4.343 3.389 9.749 1.00 0.00 C ATOM 1797 CG GLU A 112 -4.944 3.566 11.145 1.00 0.00 C ATOM 1798 CD GLU A 112 -3.819 3.672 12.178 1.00 0.00 C ATOM 1799 OE1 GLU A 112 -2.781 4.219 11.842 1.00 0.00 O ATOM 1800 OE2 GLU A 112 -4.015 3.204 13.287 1.00 0.00 O ATOM 0 H GLU A 112 -4.361 3.524 6.918 1.00 0.00 H new ATOM 0 HA GLU A 112 -6.159 2.458 9.073 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -3.692 2.515 9.730 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -3.727 4.251 9.495 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.564 4.462 11.174 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -5.592 2.722 11.383 1.00 0.00 H new ATOM 1807 N LEU A 113 -7.226 4.729 9.393 1.00 0.00 N ATOM 1808 CA LEU A 113 -8.045 5.967 9.328 1.00 0.00 C ATOM 1809 C LEU A 113 -7.698 6.865 10.519 1.00 0.00 C ATOM 1810 O LEU A 113 -7.066 6.431 11.464 1.00 0.00 O ATOM 1811 CB LEU A 113 -9.518 5.547 9.400 1.00 0.00 C ATOM 1812 CG LEU A 113 -10.072 5.132 8.026 1.00 0.00 C ATOM 1813 CD1 LEU A 113 -10.507 6.372 7.249 1.00 0.00 C ATOM 1814 CD2 LEU A 113 -9.045 4.337 7.218 1.00 0.00 C ATOM 0 H LEU A 113 -7.514 4.066 10.113 1.00 0.00 H new ATOM 0 HA LEU A 113 -7.851 6.519 8.408 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -9.624 4.717 10.098 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -10.111 6.372 9.794 1.00 0.00 H new ATOM 0 HG LEU A 113 -10.933 4.484 8.192 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -10.899 6.073 6.277 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -11.282 6.897 7.807 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -9.651 7.032 7.108 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -9.474 4.062 6.254 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -8.156 4.947 7.059 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -8.772 3.434 7.764 1.00 0.00 H new ATOM 1873 N GLU A 118 -8.316 11.324 7.379 1.00 0.00 N ATOM 1874 CA GLU A 118 -6.827 11.285 7.431 1.00 0.00 C ATOM 1875 C GLU A 118 -6.400 9.822 7.328 1.00 0.00 C ATOM 1876 O GLU A 118 -5.952 9.217 8.283 1.00 0.00 O ATOM 1877 CB GLU A 118 -6.335 11.885 8.750 1.00 0.00 C ATOM 1878 CG GLU A 118 -5.929 13.343 8.529 1.00 0.00 C ATOM 1879 CD GLU A 118 -7.179 14.225 8.514 1.00 0.00 C ATOM 1880 OE1 GLU A 118 -7.992 14.080 9.412 1.00 0.00 O ATOM 1881 OE2 GLU A 118 -7.302 15.029 7.605 1.00 0.00 O ATOM 0 HA GLU A 118 -6.399 11.865 6.614 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -7.120 11.826 9.504 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -5.487 11.314 9.127 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -5.252 13.667 9.320 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -5.390 13.442 7.587 1.00 0.00 H new ATOM 1888 N LEU A 119 -6.582 9.248 6.173 1.00 0.00 N ATOM 1889 CA LEU A 119 -6.247 7.812 5.966 1.00 0.00 C ATOM 1890 C LEU A 119 -4.748 7.626 5.708 1.00 0.00 C ATOM 1891 O LEU A 119 -4.271 7.874 4.624 1.00 0.00 O ATOM 1892 CB LEU A 119 -7.038 7.320 4.752 1.00 0.00 C ATOM 1893 CG LEU A 119 -7.101 5.790 4.738 1.00 0.00 C ATOM 1894 CD1 LEU A 119 -8.508 5.331 4.340 1.00 0.00 C ATOM 1895 CD2 LEU A 119 -6.089 5.254 3.727 1.00 0.00 C ATOM 0 H LEU A 119 -6.955 9.721 5.350 1.00 0.00 H new ATOM 0 HA LEU A 119 -6.504 7.245 6.861 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.047 7.731 4.777 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -6.570 7.679 3.835 1.00 0.00 H new ATOM 0 HG LEU A 119 -6.867 5.410 5.732 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -8.547 4.242 4.332 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -9.233 5.714 5.058 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -8.747 5.710 3.346 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -6.130 4.165 3.713 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.327 5.638 2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -5.087 5.576 4.010 1.00 0.00 H new ATOM 1907 N ILE A 120 -4.003 7.161 6.682 1.00 0.00 N ATOM 1908 CA ILE A 120 -2.540 6.935 6.457 1.00 0.00 C ATOM 1909 C ILE A 120 -2.350 5.494 5.984 1.00 0.00 C ATOM 1910 O ILE A 120 -2.551 4.555 6.721 1.00 0.00 O ATOM 1911 CB ILE A 120 -1.764 7.209 7.750 1.00 0.00 C ATOM 1912 CG1 ILE A 120 -2.184 6.226 8.848 1.00 0.00 C ATOM 1913 CG2 ILE A 120 -2.076 8.628 8.207 1.00 0.00 C ATOM 1914 CD1 ILE A 120 -1.143 5.111 8.960 1.00 0.00 C ATOM 0 H ILE A 120 -4.341 6.930 7.616 1.00 0.00 H new ATOM 0 HA ILE A 120 -2.155 7.615 5.697 1.00 0.00 H new ATOM 0 HB ILE A 120 -0.697 7.088 7.563 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -2.278 6.747 9.801 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -3.162 5.803 8.618 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -1.532 8.842 9.127 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -1.773 9.334 7.434 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -3.147 8.725 8.387 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -1.441 4.412 9.741 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -1.071 4.584 8.009 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -0.174 5.542 9.210 1.00 0.00 H new ATOM 1926 N LEU A 121 -2.006 5.322 4.740 1.00 0.00 N ATOM 1927 CA LEU A 121 -1.855 3.952 4.182 1.00 0.00 C ATOM 1928 C LEU A 121 -0.371 3.632 3.927 1.00 0.00 C ATOM 1929 O LEU A 121 0.305 4.280 3.150 1.00 0.00 O ATOM 1930 CB LEU A 121 -2.709 3.882 2.891 1.00 0.00 C ATOM 1931 CG LEU A 121 -2.425 2.631 2.034 1.00 0.00 C ATOM 1932 CD1 LEU A 121 -1.196 2.877 1.163 1.00 0.00 C ATOM 1933 CD2 LEU A 121 -2.184 1.400 2.906 1.00 0.00 C ATOM 0 H LEU A 121 -1.822 6.078 4.081 1.00 0.00 H new ATOM 0 HA LEU A 121 -2.206 3.198 4.886 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.765 3.895 3.162 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -2.522 4.773 2.292 1.00 0.00 H new ATOM 0 HG LEU A 121 -3.299 2.444 1.410 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -0.996 1.993 0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -1.378 3.730 0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -0.335 3.084 1.799 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -1.987 0.537 2.270 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -1.326 1.576 3.555 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -3.067 1.208 3.516 1.00 0.00 H new ATOM 1945 N THR A 122 0.120 2.618 4.598 1.00 0.00 N ATOM 1946 CA THR A 122 1.541 2.184 4.451 1.00 0.00 C ATOM 1947 C THR A 122 1.593 0.944 3.559 1.00 0.00 C ATOM 1948 O THR A 122 0.627 0.235 3.427 1.00 0.00 O ATOM 1949 CB THR A 122 2.079 1.796 5.822 1.00 0.00 C ATOM 1950 OG1 THR A 122 1.887 2.867 6.734 1.00 0.00 O ATOM 1951 CG2 THR A 122 3.565 1.459 5.722 1.00 0.00 C ATOM 0 H THR A 122 -0.422 2.060 5.258 1.00 0.00 H new ATOM 0 HA THR A 122 2.130 2.993 4.018 1.00 0.00 H new ATOM 0 HB THR A 122 1.540 0.919 6.181 1.00 0.00 H new ATOM 0 HG1 THR A 122 2.233 2.613 7.615 1.00 0.00 H new ATOM 0 HG21 THR A 122 3.942 1.183 6.706 1.00 0.00 H new ATOM 0 HG22 THR A 122 3.704 0.626 5.033 1.00 0.00 H new ATOM 0 HG23 THR A 122 4.111 2.328 5.355 1.00 0.00 H new ATOM 1959 N MET A 123 2.722 0.658 2.981 1.00 0.00 N ATOM 1960 CA MET A 123 2.837 -0.563 2.127 1.00 0.00 C ATOM 1961 C MET A 123 4.299 -0.969 2.026 1.00 0.00 C ATOM 1962 O MET A 123 5.032 -0.497 1.178 1.00 0.00 O ATOM 1963 CB MET A 123 2.277 -0.293 0.738 1.00 0.00 C ATOM 1964 CG MET A 123 2.243 -1.609 -0.054 1.00 0.00 C ATOM 1965 SD MET A 123 3.603 -1.653 -1.248 1.00 0.00 S ATOM 1966 CE MET A 123 3.150 -0.146 -2.131 1.00 0.00 C ATOM 0 H MET A 123 3.573 1.214 3.060 1.00 0.00 H new ATOM 0 HA MET A 123 2.263 -1.371 2.580 1.00 0.00 H new ATOM 0 HB2 MET A 123 1.274 0.128 0.812 1.00 0.00 H new ATOM 0 HB3 MET A 123 2.893 0.442 0.220 1.00 0.00 H new ATOM 0 HG2 MET A 123 2.321 -2.455 0.629 1.00 0.00 H new ATOM 0 HG3 MET A 123 1.290 -1.705 -0.574 1.00 0.00 H new ATOM 0 HE1 MET A 123 3.352 -0.273 -3.195 1.00 0.00 H new ATOM 0 HE2 MET A 123 2.089 0.056 -1.985 1.00 0.00 H new ATOM 0 HE3 MET A 123 3.735 0.690 -1.747 1.00 0.00 H new ATOM 1976 N THR A 124 4.728 -1.831 2.904 1.00 0.00 N ATOM 1977 CA THR A 124 6.156 -2.265 2.899 1.00 0.00 C ATOM 1978 C THR A 124 6.450 -3.120 1.683 1.00 0.00 C ATOM 1979 O THR A 124 5.559 -3.547 0.971 1.00 0.00 O ATOM 1980 CB THR A 124 6.520 -3.054 4.178 1.00 0.00 C ATOM 1981 OG1 THR A 124 6.296 -4.447 3.985 1.00 0.00 O ATOM 1982 CG2 THR A 124 5.696 -2.582 5.379 1.00 0.00 C ATOM 0 H THR A 124 4.150 -2.257 3.629 1.00 0.00 H new ATOM 0 HA THR A 124 6.764 -1.361 2.867 1.00 0.00 H new ATOM 0 HB THR A 124 7.576 -2.873 4.380 1.00 0.00 H new ATOM 0 HG1 THR A 124 5.628 -4.763 4.628 1.00 0.00 H new ATOM 0 HG21 THR A 124 5.977 -3.157 6.261 1.00 0.00 H new ATOM 0 HG22 THR A 124 5.888 -1.524 5.559 1.00 0.00 H new ATOM 0 HG23 THR A 124 4.636 -2.728 5.173 1.00 0.00 H new ATOM 1990 N ALA A 125 7.710 -3.372 1.450 1.00 0.00 N ATOM 1991 CA ALA A 125 8.089 -4.209 0.278 1.00 0.00 C ATOM 1992 C ALA A 125 9.589 -4.496 0.238 1.00 0.00 C ATOM 1993 O ALA A 125 10.381 -3.672 -0.168 1.00 0.00 O ATOM 1994 CB ALA A 125 7.691 -3.494 -1.008 1.00 0.00 C ATOM 0 H ALA A 125 8.488 -3.036 2.017 1.00 0.00 H new ATOM 0 HA ALA A 125 7.564 -5.159 0.371 1.00 0.00 H new ATOM 0 HB1 ALA A 125 7.968 -4.107 -1.866 1.00 0.00 H new ATOM 0 HB2 ALA A 125 6.614 -3.328 -1.014 1.00 0.00 H new ATOM 0 HB3 ALA A 125 8.206 -2.535 -1.065 1.00 0.00 H new ATOM 2000 N ASP A 126 9.987 -5.681 0.616 1.00 0.00 N ATOM 2001 CA ASP A 126 11.440 -6.032 0.575 1.00 0.00 C ATOM 2002 C ASP A 126 12.200 -5.162 1.579 1.00 0.00 C ATOM 2003 O ASP A 126 13.343 -4.811 1.363 1.00 0.00 O ATOM 2004 CB ASP A 126 11.997 -5.791 -0.832 1.00 0.00 C ATOM 2005 CG ASP A 126 12.907 -6.952 -1.239 1.00 0.00 C ATOM 2006 OD1 ASP A 126 12.381 -7.981 -1.633 1.00 0.00 O ATOM 2007 OD2 ASP A 126 14.113 -6.794 -1.150 1.00 0.00 O ATOM 0 H ASP A 126 9.371 -6.422 0.951 1.00 0.00 H new ATOM 0 HA ASP A 126 11.562 -7.084 0.832 1.00 0.00 H new ATOM 0 HB2 ASP A 126 11.178 -5.693 -1.545 1.00 0.00 H new ATOM 0 HB3 ASP A 126 12.555 -4.855 -0.856 1.00 0.00 H new ATOM 2012 N ASP A 127 11.546 -4.827 2.671 1.00 0.00 N ATOM 2013 CA ASP A 127 12.142 -3.984 3.774 1.00 0.00 C ATOM 2014 C ASP A 127 11.814 -2.505 3.561 1.00 0.00 C ATOM 2015 O ASP A 127 12.057 -1.692 4.436 1.00 0.00 O ATOM 2016 CB ASP A 127 13.665 -4.158 3.888 1.00 0.00 C ATOM 2017 CG ASP A 127 14.127 -3.724 5.280 1.00 0.00 C ATOM 2018 OD1 ASP A 127 13.636 -4.282 6.247 1.00 0.00 O ATOM 2019 OD2 ASP A 127 14.965 -2.840 5.355 1.00 0.00 O ATOM 0 H ASP A 127 10.584 -5.114 2.852 1.00 0.00 H new ATOM 0 HA ASP A 127 11.695 -4.330 4.706 1.00 0.00 H new ATOM 0 HB2 ASP A 127 13.937 -5.199 3.711 1.00 0.00 H new ATOM 0 HB3 ASP A 127 14.167 -3.563 3.125 1.00 0.00 H new ATOM 2024 N VAL A 128 11.253 -2.140 2.432 1.00 0.00 N ATOM 2025 CA VAL A 128 10.907 -0.716 2.212 1.00 0.00 C ATOM 2026 C VAL A 128 9.562 -0.442 2.874 1.00 0.00 C ATOM 2027 O VAL A 128 8.923 -1.340 3.381 1.00 0.00 O ATOM 2028 CB VAL A 128 10.832 -0.427 0.702 1.00 0.00 C ATOM 2029 CG1 VAL A 128 12.108 -0.919 0.015 1.00 0.00 C ATOM 2030 CG2 VAL A 128 9.624 -1.128 0.078 1.00 0.00 C ATOM 0 H VAL A 128 11.024 -2.769 1.662 1.00 0.00 H new ATOM 0 HA VAL A 128 11.669 -0.068 2.646 1.00 0.00 H new ATOM 0 HB VAL A 128 10.729 0.649 0.564 1.00 0.00 H new ATOM 0 HG11 VAL A 128 12.049 -0.712 -1.053 1.00 0.00 H new ATOM 0 HG12 VAL A 128 12.971 -0.404 0.438 1.00 0.00 H new ATOM 0 HG13 VAL A 128 12.214 -1.993 0.171 1.00 0.00 H new ATOM 0 HG21 VAL A 128 9.589 -0.911 -0.990 1.00 0.00 H new ATOM 0 HG22 VAL A 128 9.711 -2.204 0.227 1.00 0.00 H new ATOM 0 HG23 VAL A 128 8.710 -0.769 0.551 1.00 0.00 H new ATOM 2040 N VAL A 129 9.132 0.782 2.858 1.00 0.00 N ATOM 2041 CA VAL A 129 7.820 1.122 3.461 1.00 0.00 C ATOM 2042 C VAL A 129 7.292 2.406 2.826 1.00 0.00 C ATOM 2043 O VAL A 129 7.834 3.479 3.002 1.00 0.00 O ATOM 2044 CB VAL A 129 7.975 1.212 4.999 1.00 0.00 C ATOM 2045 CG1 VAL A 129 7.136 2.359 5.607 1.00 0.00 C ATOM 2046 CG2 VAL A 129 7.526 -0.126 5.611 1.00 0.00 C ATOM 0 H VAL A 129 9.637 1.569 2.450 1.00 0.00 H new ATOM 0 HA VAL A 129 7.080 0.346 3.263 1.00 0.00 H new ATOM 0 HB VAL A 129 9.021 1.420 5.225 1.00 0.00 H new ATOM 0 HG11 VAL A 129 7.278 2.381 6.687 1.00 0.00 H new ATOM 0 HG12 VAL A 129 7.455 3.309 5.180 1.00 0.00 H new ATOM 0 HG13 VAL A 129 6.082 2.197 5.383 1.00 0.00 H new ATOM 0 HG21 VAL A 129 7.628 -0.083 6.695 1.00 0.00 H new ATOM 0 HG22 VAL A 129 6.484 -0.313 5.352 1.00 0.00 H new ATOM 0 HG23 VAL A 129 8.148 -0.932 5.220 1.00 0.00 H new ATOM 2056 N CYS A 130 6.221 2.278 2.099 1.00 0.00 N ATOM 2057 CA CYS A 130 5.605 3.461 1.437 1.00 0.00 C ATOM 2058 C CYS A 130 4.528 4.031 2.357 1.00 0.00 C ATOM 2059 O CYS A 130 3.382 3.628 2.306 1.00 0.00 O ATOM 2060 CB CYS A 130 4.973 3.037 0.109 1.00 0.00 C ATOM 2061 SG CYS A 130 4.964 4.442 -1.032 1.00 0.00 S ATOM 0 H CYS A 130 5.739 1.394 1.932 1.00 0.00 H new ATOM 0 HA CYS A 130 6.367 4.216 1.243 1.00 0.00 H new ATOM 0 HB2 CYS A 130 5.532 2.207 -0.323 1.00 0.00 H new ATOM 0 HB3 CYS A 130 3.955 2.683 0.275 1.00 0.00 H new ATOM 0 HG CYS A 130 4.429 4.081 -2.161 1.00 0.00 H new ATOM 2067 N THR A 131 4.896 4.953 3.207 1.00 0.00 N ATOM 2068 CA THR A 131 3.908 5.549 4.151 1.00 0.00 C ATOM 2069 C THR A 131 3.531 6.955 3.694 1.00 0.00 C ATOM 2070 O THR A 131 4.365 7.838 3.624 1.00 0.00 O ATOM 2071 CB THR A 131 4.529 5.636 5.547 1.00 0.00 C ATOM 2072 OG1 THR A 131 5.500 4.610 5.699 1.00 0.00 O ATOM 2073 CG2 THR A 131 3.440 5.471 6.610 1.00 0.00 C ATOM 0 H THR A 131 5.844 5.320 3.288 1.00 0.00 H new ATOM 0 HA THR A 131 3.017 4.921 4.173 1.00 0.00 H new ATOM 0 HB THR A 131 5.005 6.609 5.669 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.899 4.667 6.592 1.00 0.00 H new ATOM 0 HG21 THR A 131 3.887 5.534 7.602 1.00 0.00 H new ATOM 0 HG22 THR A 131 2.698 6.261 6.496 1.00 0.00 H new ATOM 0 HG23 THR A 131 2.958 4.501 6.490 1.00 0.00 H new ATOM 2081 N ARG A 132 2.277 7.173 3.403 1.00 0.00 N ATOM 2082 CA ARG A 132 1.833 8.533 2.971 1.00 0.00 C ATOM 2083 C ARG A 132 0.431 8.791 3.507 1.00 0.00 C ATOM 2084 O ARG A 132 -0.467 7.987 3.336 1.00 0.00 O ATOM 2085 CB ARG A 132 1.836 8.668 1.436 1.00 0.00 C ATOM 2086 CG ARG A 132 1.535 7.329 0.757 1.00 0.00 C ATOM 2087 CD ARG A 132 1.280 7.568 -0.731 1.00 0.00 C ATOM 2088 NE ARG A 132 1.292 6.266 -1.454 1.00 0.00 N ATOM 2089 CZ ARG A 132 1.146 6.238 -2.751 1.00 0.00 C ATOM 2090 NH1 ARG A 132 2.006 6.852 -3.517 1.00 0.00 N ATOM 2091 NH2 ARG A 132 0.142 5.595 -3.281 1.00 0.00 N ATOM 0 H ARG A 132 1.540 6.469 3.445 1.00 0.00 H new ATOM 0 HA ARG A 132 2.532 9.268 3.371 1.00 0.00 H new ATOM 0 HB2 ARG A 132 1.094 9.406 1.133 1.00 0.00 H new ATOM 0 HB3 ARG A 132 2.807 9.036 1.103 1.00 0.00 H new ATOM 0 HG2 ARG A 132 2.372 6.644 0.890 1.00 0.00 H new ATOM 0 HG3 ARG A 132 0.665 6.861 1.217 1.00 0.00 H new ATOM 0 HD2 ARG A 132 0.320 8.065 -0.871 1.00 0.00 H new ATOM 0 HD3 ARG A 132 2.044 8.230 -1.140 1.00 0.00 H new ATOM 0 HE ARG A 132 1.414 5.396 -0.936 1.00 0.00 H new ATOM 0 HH11 ARG A 132 2.792 7.353 -3.102 1.00 0.00 H new ATOM 0 HH12 ARG A 132 1.893 6.831 -4.530 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -0.529 5.114 -2.682 1.00 0.00 H new ATOM 0 HH22 ARG A 132 0.028 5.573 -4.294 1.00 0.00 H new ATOM 2105 N VAL A 133 0.240 9.908 4.159 1.00 0.00 N ATOM 2106 CA VAL A 133 -1.100 10.227 4.716 1.00 0.00 C ATOM 2107 C VAL A 133 -2.041 10.578 3.574 1.00 0.00 C ATOM 2108 O VAL A 133 -1.628 11.045 2.534 1.00 0.00 O ATOM 2109 CB VAL A 133 -0.985 11.412 5.687 1.00 0.00 C ATOM 2110 CG1 VAL A 133 -2.375 11.830 6.180 1.00 0.00 C ATOM 2111 CG2 VAL A 133 -0.128 11.000 6.885 1.00 0.00 C ATOM 0 H VAL A 133 0.958 10.612 4.328 1.00 0.00 H new ATOM 0 HA VAL A 133 -1.492 9.365 5.256 1.00 0.00 H new ATOM 0 HB VAL A 133 -0.524 12.253 5.169 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -2.280 12.671 6.867 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -2.989 12.125 5.329 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -2.846 10.992 6.694 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -0.043 11.838 7.577 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -0.594 10.156 7.393 1.00 0.00 H new ATOM 0 HG23 VAL A 133 0.865 10.713 6.540 1.00 0.00 H new ATOM 2121 N TYR A 134 -3.304 10.368 3.781 1.00 0.00 N ATOM 2122 CA TYR A 134 -4.299 10.698 2.736 1.00 0.00 C ATOM 2123 C TYR A 134 -5.429 11.494 3.365 1.00 0.00 C ATOM 2124 O TYR A 134 -5.524 11.616 4.571 1.00 0.00 O ATOM 2125 CB TYR A 134 -4.921 9.436 2.161 1.00 0.00 C ATOM 2126 CG TYR A 134 -3.931 8.668 1.329 1.00 0.00 C ATOM 2127 CD1 TYR A 134 -2.890 7.971 1.946 1.00 0.00 C ATOM 2128 CD2 TYR A 134 -4.077 8.627 -0.060 1.00 0.00 C ATOM 2129 CE1 TYR A 134 -1.994 7.232 1.175 1.00 0.00 C ATOM 2130 CE2 TYR A 134 -3.177 7.893 -0.835 1.00 0.00 C ATOM 2131 CZ TYR A 134 -2.134 7.192 -0.218 1.00 0.00 C ATOM 2132 OH TYR A 134 -1.249 6.459 -0.981 1.00 0.00 O ATOM 0 H TYR A 134 -3.693 9.978 4.639 1.00 0.00 H new ATOM 0 HA TYR A 134 -3.790 11.258 1.951 1.00 0.00 H new ATOM 0 HB2 TYR A 134 -5.284 8.805 2.972 1.00 0.00 H new ATOM 0 HB3 TYR A 134 -5.785 9.699 1.551 1.00 0.00 H new ATOM 0 HD1 TYR A 134 -2.779 8.004 3.020 1.00 0.00 H new ATOM 0 HD2 TYR A 134 -4.886 9.163 -0.534 1.00 0.00 H new ATOM 0 HE1 TYR A 134 -1.191 6.690 1.652 1.00 0.00 H new ATOM 0 HE2 TYR A 134 -3.285 7.866 -1.909 1.00 0.00 H new ATOM 0 HH TYR A 134 -1.499 5.512 -0.953 1.00 0.00 H new ATOM 2142 N VAL A 135 -6.310 11.988 2.552 1.00 0.00 N ATOM 2143 CA VAL A 135 -7.479 12.729 3.061 1.00 0.00 C ATOM 2144 C VAL A 135 -8.642 12.399 2.150 1.00 0.00 C ATOM 2145 O VAL A 135 -8.440 11.937 1.047 1.00 0.00 O ATOM 2146 CB VAL A 135 -7.212 14.214 3.034 1.00 0.00 C ATOM 2147 CG1 VAL A 135 -8.409 14.937 3.631 1.00 0.00 C ATOM 2148 CG2 VAL A 135 -5.971 14.505 3.864 1.00 0.00 C ATOM 0 H VAL A 135 -6.265 11.906 1.536 1.00 0.00 H new ATOM 0 HA VAL A 135 -7.694 12.447 4.092 1.00 0.00 H new ATOM 0 HB VAL A 135 -7.053 14.554 2.010 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -8.229 16.012 3.617 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -9.300 14.711 3.045 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -8.558 14.607 4.659 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -5.768 15.576 3.852 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -6.135 14.178 4.891 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -5.119 13.969 3.445 1.00 0.00 H new ATOM 2158 N ARG A 136 -9.846 12.609 2.579 1.00 0.00 N ATOM 2159 CA ARG A 136 -10.977 12.264 1.679 1.00 0.00 C ATOM 2160 C ARG A 136 -11.246 13.429 0.737 1.00 0.00 C ATOM 2161 O ARG A 136 -11.628 14.507 1.148 1.00 0.00 O ATOM 2162 CB ARG A 136 -12.250 11.925 2.457 1.00 0.00 C ATOM 2163 CG ARG A 136 -12.530 10.422 2.357 1.00 0.00 C ATOM 2164 CD ARG A 136 -13.542 10.010 3.428 1.00 0.00 C ATOM 2165 NE ARG A 136 -13.075 10.474 4.764 1.00 0.00 N ATOM 2166 CZ ARG A 136 -13.938 10.912 5.639 1.00 0.00 C ATOM 2167 NH1 ARG A 136 -14.520 12.066 5.460 1.00 0.00 N ATOM 2168 NH2 ARG A 136 -14.219 10.195 6.693 1.00 0.00 N ATOM 0 H ARG A 136 -10.097 12.994 3.489 1.00 0.00 H new ATOM 0 HA ARG A 136 -10.694 11.377 1.113 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -12.138 12.215 3.502 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -13.093 12.489 2.058 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -12.916 10.180 1.367 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -11.604 9.861 2.484 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -14.518 10.439 3.204 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -13.663 8.927 3.430 1.00 0.00 H new ATOM 0 HE ARG A 136 -12.082 10.449 4.995 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -14.300 12.626 4.636 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -15.195 12.408 6.144 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -13.764 9.293 6.832 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -14.894 10.537 7.377 1.00 0.00 H new ATOM 2182 N GLU A 137 -11.043 13.202 -0.529 1.00 0.00 N ATOM 2183 CA GLU A 137 -11.273 14.263 -1.561 1.00 0.00 C ATOM 2184 C GLU A 137 -12.625 14.961 -1.340 1.00 0.00 C ATOM 2185 O GLU A 137 -13.636 14.371 -1.680 1.00 0.00 O ATOM 2186 CB GLU A 137 -11.278 13.619 -2.947 1.00 0.00 C ATOM 2187 CG GLU A 137 -11.015 14.690 -4.007 1.00 0.00 C ATOM 2188 CD GLU A 137 -11.221 14.091 -5.400 1.00 0.00 C ATOM 2189 OE1 GLU A 137 -10.613 13.071 -5.681 1.00 0.00 O ATOM 2190 OE2 GLU A 137 -11.983 14.663 -6.162 1.00 0.00 O ATOM 2191 OXT GLU A 137 -12.620 16.071 -0.834 1.00 0.00 O ATOM 0 H GLU A 137 -10.721 12.310 -0.904 1.00 0.00 H new ATOM 0 HA GLU A 137 -10.476 15.002 -1.480 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -10.515 12.843 -3.002 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -12.238 13.136 -3.132 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -11.687 15.535 -3.860 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -9.998 15.071 -3.910 1.00 0.00 H new