USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 777 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 82 SER OG : rot -91:sc= -1.27! USER MOD Set 1.2: A 84 ASN : amide:sc= -11.1! C(o=-12!,f=-14!) USER MOD Single : A 8 SER OG : rot 15:sc= 0.0476 USER MOD Single : A 9 CYS SG : rot 129:sc= -6.31! USER MOD Single : A 12 ASN : amide:sc= -0.0172 K(o=-0.017,f=-1.4!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -151:sc= -0.298 (180deg=-1.34!) USER MOD Single : A 20 ASN : amide:sc= 0.144 K(o=0.14,f=-0.8) USER MOD Single : A 23 GLN : amide:sc= 0.821 K(o=0.82,f=-0.083) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0.122! USER MOD Single : A 27 ASN : amide:sc= -0.179 K(o=-0.18,f=-1.6!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 8:sc= -5.87! USER MOD Single : A 37 SER OG : rot 50:sc= -0.585 USER MOD Single : A 39 THR OG1 : rot 87:sc= 0.7 USER MOD Single : A 41 GLN : amide:sc= -0.454 K(o=-0.45,f=-3.7!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot -160:sc= -0.838 USER MOD Single : A 61 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.332) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0285 USER MOD Single : A 64 GLN :FLIP amide:sc= 0 F(o=-1.7!,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HE2:sc= -3.23! C(o=-3.2!,f=-8.3!) USER MOD Single : A 83 SER OG : rot 56:sc= 0.492 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.0575 USER MOD ----------------------------------------------------------------- ATOM 13 N TRP A 2 9.151 -12.220 -6.992 1.00 0.00 N ATOM 14 CA TRP A 2 8.031 -11.247 -7.041 1.00 0.00 C ATOM 15 C TRP A 2 6.844 -11.733 -6.217 1.00 0.00 C ATOM 16 O TRP A 2 6.094 -12.582 -6.649 1.00 0.00 O ATOM 17 CB TRP A 2 7.590 -11.107 -8.512 1.00 0.00 C ATOM 18 CG TRP A 2 8.321 -9.928 -9.177 1.00 0.00 C ATOM 19 CD1 TRP A 2 9.372 -9.294 -8.658 1.00 0.00 C ATOM 20 CD2 TRP A 2 7.969 -9.395 -10.322 1.00 0.00 C ATOM 21 NE1 TRP A 2 9.630 -8.327 -9.561 1.00 0.00 N ATOM 22 CE2 TRP A 2 8.782 -8.327 -10.651 1.00 0.00 C ATOM 23 CE3 TRP A 2 6.960 -9.780 -11.188 1.00 0.00 C ATOM 24 CZ2 TRP A 2 8.585 -7.647 -11.832 1.00 0.00 C ATOM 25 CZ3 TRP A 2 6.772 -9.099 -12.372 1.00 0.00 C ATOM 26 CH2 TRP A 2 7.588 -8.033 -12.694 1.00 0.00 C ATOM 0 HA TRP A 2 8.365 -10.294 -6.631 1.00 0.00 H new ATOM 0 HB2 TRP A 2 7.805 -12.029 -9.053 1.00 0.00 H new ATOM 0 HB3 TRP A 2 6.512 -10.951 -8.563 1.00 0.00 H new ATOM 0 HD1 TRP A 2 9.892 -9.504 -7.735 1.00 0.00 H new ATOM 0 HE1 TRP A 2 10.387 -7.653 -9.449 1.00 0.00 H new ATOM 0 HE3 TRP A 2 6.321 -10.613 -10.936 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 9.217 -6.807 -12.081 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 5.986 -9.400 -13.048 1.00 0.00 H new ATOM 0 HH2 TRP A 2 7.442 -7.503 -13.624 1.00 0.00 H new ATOM 37 N VAL A 3 6.697 -11.181 -5.038 1.00 0.00 N ATOM 38 CA VAL A 3 5.563 -11.600 -4.175 1.00 0.00 C ATOM 39 C VAL A 3 5.274 -10.555 -3.095 1.00 0.00 C ATOM 40 O VAL A 3 5.820 -10.617 -2.010 1.00 0.00 O ATOM 41 CB VAL A 3 5.942 -12.927 -3.484 1.00 0.00 C ATOM 42 CG1 VAL A 3 5.294 -14.104 -4.225 1.00 0.00 C ATOM 43 CG2 VAL A 3 7.462 -13.090 -3.513 1.00 0.00 C ATOM 0 H VAL A 3 7.309 -10.466 -4.644 1.00 0.00 H new ATOM 0 HA VAL A 3 4.674 -11.714 -4.795 1.00 0.00 H new ATOM 0 HB VAL A 3 5.588 -12.912 -2.453 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.565 -15.038 -3.732 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.210 -13.989 -4.213 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.646 -14.122 -5.257 1.00 0.00 H new ATOM 0 HG21 VAL A 3 7.737 -14.026 -3.026 1.00 0.00 H new ATOM 0 HG22 VAL A 3 7.807 -13.104 -4.547 1.00 0.00 H new ATOM 0 HG23 VAL A 3 7.927 -12.257 -2.986 1.00 0.00 H new ATOM 53 N ILE A 4 4.426 -9.609 -3.408 1.00 0.00 N ATOM 54 CA ILE A 4 4.103 -8.568 -2.401 1.00 0.00 C ATOM 55 C ILE A 4 2.715 -7.958 -2.665 1.00 0.00 C ATOM 56 O ILE A 4 2.583 -6.940 -3.312 1.00 0.00 O ATOM 57 CB ILE A 4 5.164 -7.466 -2.514 1.00 0.00 C ATOM 58 CG1 ILE A 4 4.899 -6.376 -1.480 1.00 0.00 C ATOM 59 CG2 ILE A 4 5.088 -6.840 -3.920 1.00 0.00 C ATOM 60 CD1 ILE A 4 5.992 -5.309 -1.581 1.00 0.00 C ATOM 0 H ILE A 4 3.951 -9.517 -4.306 1.00 0.00 H new ATOM 0 HA ILE A 4 4.095 -9.013 -1.406 1.00 0.00 H new ATOM 0 HB ILE A 4 6.149 -7.899 -2.341 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.920 -5.928 -1.649 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.884 -6.805 -0.478 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.839 -6.055 -4.010 1.00 0.00 H new ATOM 0 HG22 ILE A 4 5.274 -7.608 -4.671 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.097 -6.413 -4.075 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.807 -4.528 -0.844 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.964 -5.765 -1.391 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.985 -4.874 -2.580 1.00 0.00 H new ATOM 72 N PRO A 5 1.701 -8.616 -2.144 1.00 0.00 N ATOM 73 CA PRO A 5 0.317 -8.153 -2.312 1.00 0.00 C ATOM 74 C PRO A 5 0.012 -6.804 -1.603 1.00 0.00 C ATOM 75 O PRO A 5 -0.651 -5.953 -2.161 1.00 0.00 O ATOM 76 CB PRO A 5 -0.551 -9.281 -1.699 1.00 0.00 C ATOM 77 CG PRO A 5 0.415 -10.434 -1.268 1.00 0.00 C ATOM 78 CD PRO A 5 1.853 -9.929 -1.483 1.00 0.00 C ATOM 0 HA PRO A 5 0.114 -7.962 -3.366 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.112 -8.910 -0.841 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.280 -9.642 -2.425 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.253 -10.701 -0.224 1.00 0.00 H new ATOM 0 HG3 PRO A 5 0.230 -11.331 -1.859 1.00 0.00 H new ATOM 0 HD2 PRO A 5 2.384 -9.835 -0.536 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.425 -10.619 -2.103 1.00 0.00 H new ATOM 86 N PRO A 6 0.498 -6.645 -0.385 1.00 0.00 N ATOM 87 CA PRO A 6 0.270 -5.415 0.382 1.00 0.00 C ATOM 88 C PRO A 6 1.108 -4.240 -0.124 1.00 0.00 C ATOM 89 O PRO A 6 2.222 -4.412 -0.579 1.00 0.00 O ATOM 90 CB PRO A 6 0.719 -5.765 1.813 1.00 0.00 C ATOM 91 CG PRO A 6 1.387 -7.171 1.754 1.00 0.00 C ATOM 92 CD PRO A 6 1.273 -7.667 0.304 1.00 0.00 C ATOM 0 HA PRO A 6 -0.772 -5.104 0.303 1.00 0.00 H new ATOM 0 HB2 PRO A 6 1.421 -5.021 2.189 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.133 -5.772 2.493 1.00 0.00 H new ATOM 0 HG2 PRO A 6 2.432 -7.114 2.060 1.00 0.00 H new ATOM 0 HG3 PRO A 6 0.892 -7.861 2.437 1.00 0.00 H new ATOM 0 HD2 PRO A 6 2.257 -7.789 -0.150 1.00 0.00 H new ATOM 0 HD3 PRO A 6 0.778 -8.637 0.257 1.00 0.00 H new ATOM 100 N ILE A 7 0.542 -3.062 -0.031 1.00 0.00 N ATOM 101 CA ILE A 7 1.266 -1.845 -0.490 1.00 0.00 C ATOM 102 C ILE A 7 0.936 -0.672 0.434 1.00 0.00 C ATOM 103 O ILE A 7 0.053 -0.772 1.263 1.00 0.00 O ATOM 104 CB ILE A 7 0.811 -1.490 -1.917 1.00 0.00 C ATOM 105 CG1 ILE A 7 0.966 -2.693 -2.853 1.00 0.00 C ATOM 106 CG2 ILE A 7 1.697 -0.345 -2.439 1.00 0.00 C ATOM 107 CD1 ILE A 7 2.448 -2.900 -3.191 1.00 0.00 C ATOM 0 H ILE A 7 -0.392 -2.894 0.344 1.00 0.00 H new ATOM 0 HA ILE A 7 2.339 -2.039 -0.474 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.238 -1.197 -1.892 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.563 -3.588 -2.380 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.394 -2.531 -3.767 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.389 -0.079 -3.450 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.592 0.523 -1.788 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.738 -0.666 -2.449 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.553 -3.757 -3.857 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.837 -2.008 -3.683 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.008 -3.082 -2.274 1.00 0.00 H new ATOM 119 N SER A 8 1.653 0.418 0.283 1.00 0.00 N ATOM 120 CA SER A 8 1.383 1.602 1.155 1.00 0.00 C ATOM 121 C SER A 8 1.488 2.906 0.369 1.00 0.00 C ATOM 122 O SER A 8 2.261 3.005 -0.564 1.00 0.00 O ATOM 123 CB SER A 8 2.430 1.625 2.278 1.00 0.00 C ATOM 124 OG SER A 8 1.859 2.466 3.268 1.00 0.00 O ATOM 0 H SER A 8 2.403 0.537 -0.398 1.00 0.00 H new ATOM 0 HA SER A 8 0.372 1.518 1.553 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.620 0.624 2.666 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.384 2.016 1.925 1.00 0.00 H new ATOM 0 HG SER A 8 0.905 2.591 3.081 1.00 0.00 H new ATOM 130 N CYS A 9 0.696 3.887 0.759 1.00 0.00 N ATOM 131 CA CYS A 9 0.739 5.193 0.042 1.00 0.00 C ATOM 132 C CYS A 9 0.614 6.382 1.031 1.00 0.00 C ATOM 133 O CYS A 9 -0.132 6.314 1.987 1.00 0.00 O ATOM 134 CB CYS A 9 -0.440 5.242 -0.928 1.00 0.00 C ATOM 135 SG CYS A 9 -0.664 6.768 -1.871 1.00 0.00 S ATOM 0 H CYS A 9 0.034 3.833 1.533 1.00 0.00 H new ATOM 0 HA CYS A 9 1.692 5.277 -0.481 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.331 4.420 -1.635 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.353 5.057 -0.362 1.00 0.00 H new ATOM 0 HG CYS A 9 -0.779 6.484 -3.134 1.00 0.00 H new ATOM 141 N PRO A 10 1.358 7.464 0.767 1.00 0.00 N ATOM 142 CA PRO A 10 1.329 8.659 1.630 1.00 0.00 C ATOM 143 C PRO A 10 -0.003 9.411 1.577 1.00 0.00 C ATOM 144 O PRO A 10 -0.712 9.390 0.579 1.00 0.00 O ATOM 145 CB PRO A 10 2.434 9.577 1.066 1.00 0.00 C ATOM 146 CG PRO A 10 2.920 8.947 -0.274 1.00 0.00 C ATOM 147 CD PRO A 10 2.291 7.548 -0.372 1.00 0.00 C ATOM 0 HA PRO A 10 1.471 8.368 2.671 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.050 10.584 0.900 1.00 0.00 H new ATOM 0 HB3 PRO A 10 3.260 9.663 1.772 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.620 9.564 -1.121 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.008 8.882 -0.297 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.769 7.416 -1.320 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.052 6.769 -0.316 1.00 0.00 H new ATOM 155 N GLU A 11 -0.301 10.074 2.671 1.00 0.00 N ATOM 156 CA GLU A 11 -1.550 10.844 2.759 1.00 0.00 C ATOM 157 C GLU A 11 -1.257 12.341 2.772 1.00 0.00 C ATOM 158 O GLU A 11 -0.158 12.757 3.087 1.00 0.00 O ATOM 159 CB GLU A 11 -2.238 10.478 4.073 1.00 0.00 C ATOM 160 CG GLU A 11 -3.720 10.739 3.924 1.00 0.00 C ATOM 161 CD GLU A 11 -4.346 10.932 5.306 1.00 0.00 C ATOM 162 OE1 GLU A 11 -3.960 10.181 6.185 1.00 0.00 O ATOM 163 OE2 GLU A 11 -5.177 11.820 5.404 1.00 0.00 O ATOM 0 H GLU A 11 0.284 10.105 3.506 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.179 10.612 1.899 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.060 9.430 4.316 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.829 11.069 4.893 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.884 11.626 3.312 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.197 9.904 3.410 1.00 0.00 H new ATOM 170 N ASN A 12 -2.243 13.119 2.430 1.00 0.00 N ATOM 171 CA ASN A 12 -2.046 14.591 2.415 1.00 0.00 C ATOM 172 C ASN A 12 -0.698 14.964 1.804 1.00 0.00 C ATOM 173 O ASN A 12 -0.102 15.957 2.174 1.00 0.00 O ATOM 174 CB ASN A 12 -2.082 15.099 3.867 1.00 0.00 C ATOM 175 CG ASN A 12 -3.506 14.979 4.412 1.00 0.00 C ATOM 176 OD1 ASN A 12 -4.465 14.935 3.669 1.00 0.00 O ATOM 177 ND2 ASN A 12 -3.687 14.923 5.704 1.00 0.00 N ATOM 0 H ASN A 12 -3.174 12.800 2.161 1.00 0.00 H new ATOM 0 HA ASN A 12 -2.835 15.043 1.814 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.395 14.520 4.484 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -1.751 16.137 3.909 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -4.630 14.843 6.084 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -2.885 14.959 6.333 1.00 0.00 H new ATOM 184 N GLU A 13 -0.240 14.164 0.883 1.00 0.00 N ATOM 185 CA GLU A 13 1.064 14.464 0.243 1.00 0.00 C ATOM 186 C GLU A 13 1.007 15.790 -0.508 1.00 0.00 C ATOM 187 O GLU A 13 -0.020 16.162 -1.037 1.00 0.00 O ATOM 188 CB GLU A 13 1.382 13.342 -0.756 1.00 0.00 C ATOM 189 CG GLU A 13 2.870 12.995 -0.665 1.00 0.00 C ATOM 190 CD GLU A 13 3.216 11.974 -1.749 1.00 0.00 C ATOM 191 OE1 GLU A 13 2.404 11.845 -2.651 1.00 0.00 O ATOM 192 OE2 GLU A 13 4.272 11.378 -1.614 1.00 0.00 O ATOM 0 H GLU A 13 -0.710 13.322 0.550 1.00 0.00 H new ATOM 0 HA GLU A 13 1.832 14.533 1.013 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.777 12.462 -0.538 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.131 13.658 -1.769 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.473 13.894 -0.790 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.101 12.590 0.320 1.00 0.00 H new ATOM 199 N LYS A 14 2.115 16.481 -0.540 1.00 0.00 N ATOM 200 CA LYS A 14 2.139 17.782 -1.252 1.00 0.00 C ATOM 201 C LYS A 14 3.517 18.050 -1.845 1.00 0.00 C ATOM 202 O LYS A 14 4.524 17.841 -1.199 1.00 0.00 O ATOM 203 CB LYS A 14 1.808 18.893 -0.244 1.00 0.00 C ATOM 204 CG LYS A 14 2.804 18.832 0.919 1.00 0.00 C ATOM 205 CD LYS A 14 3.751 20.031 0.834 1.00 0.00 C ATOM 206 CE LYS A 14 4.557 20.127 2.131 1.00 0.00 C ATOM 207 NZ LYS A 14 5.613 21.171 2.010 1.00 0.00 N ATOM 0 H LYS A 14 2.995 16.201 -0.107 1.00 0.00 H new ATOM 0 HA LYS A 14 1.410 17.758 -2.062 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.857 19.868 -0.730 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.790 18.773 0.127 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.272 18.841 1.870 1.00 0.00 H new ATOM 0 HG3 LYS A 14 3.371 17.902 0.879 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.422 19.920 -0.018 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.183 20.948 0.676 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.894 20.366 2.962 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.014 19.163 2.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.152 21.224 2.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.255 20.926 1.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.170 22.092 1.818 1.00 0.00 H new ATOM 221 N GLY A 15 3.536 18.509 -3.066 1.00 0.00 N ATOM 222 CA GLY A 15 4.844 18.797 -3.717 1.00 0.00 C ATOM 223 C GLY A 15 4.705 18.754 -5.241 1.00 0.00 C ATOM 224 O GLY A 15 3.951 19.515 -5.817 1.00 0.00 O ATOM 0 H GLY A 15 2.711 18.695 -3.636 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.203 19.778 -3.406 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.587 18.068 -3.393 1.00 0.00 H new ATOM 228 N GLU A 16 5.439 17.857 -5.857 1.00 0.00 N ATOM 229 CA GLU A 16 5.375 17.736 -7.341 1.00 0.00 C ATOM 230 C GLU A 16 4.659 16.456 -7.758 1.00 0.00 C ATOM 231 O GLU A 16 4.696 15.464 -7.056 1.00 0.00 O ATOM 232 CB GLU A 16 6.814 17.691 -7.879 1.00 0.00 C ATOM 233 CG GLU A 16 7.606 18.859 -7.287 1.00 0.00 C ATOM 234 CD GLU A 16 9.092 18.678 -7.602 1.00 0.00 C ATOM 235 OE1 GLU A 16 9.358 18.023 -8.597 1.00 0.00 O ATOM 236 OE2 GLU A 16 9.878 19.204 -6.831 1.00 0.00 O ATOM 0 H GLU A 16 6.076 17.208 -5.395 1.00 0.00 H new ATOM 0 HA GLU A 16 4.825 18.587 -7.743 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.285 16.744 -7.614 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.811 17.752 -8.967 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.248 19.802 -7.700 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.455 18.906 -6.209 1.00 0.00 H new ATOM 243 N PHE A 17 4.018 16.507 -8.898 1.00 0.00 N ATOM 244 CA PHE A 17 3.287 15.312 -9.396 1.00 0.00 C ATOM 245 C PHE A 17 3.523 15.141 -10.901 1.00 0.00 C ATOM 246 O PHE A 17 3.763 16.105 -11.601 1.00 0.00 O ATOM 247 CB PHE A 17 1.784 15.535 -9.148 1.00 0.00 C ATOM 248 CG PHE A 17 1.513 15.517 -7.640 1.00 0.00 C ATOM 249 CD1 PHE A 17 1.828 14.403 -6.881 1.00 0.00 C ATOM 250 CD2 PHE A 17 0.949 16.617 -7.016 1.00 0.00 C ATOM 251 CE1 PHE A 17 1.584 14.392 -5.522 1.00 0.00 C ATOM 252 CE2 PHE A 17 0.706 16.601 -5.657 1.00 0.00 C ATOM 253 CZ PHE A 17 1.022 15.489 -4.913 1.00 0.00 C ATOM 0 H PHE A 17 3.972 17.327 -9.503 1.00 0.00 H new ATOM 0 HA PHE A 17 3.639 14.420 -8.878 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.471 16.488 -9.574 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.202 14.757 -9.643 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.267 13.537 -7.355 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.698 17.493 -7.596 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.835 13.520 -4.936 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.267 17.463 -5.178 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.829 15.477 -3.850 1.00 0.00 H new ATOM 263 N PRO A 18 3.447 13.909 -11.380 1.00 0.00 N ATOM 264 CA PRO A 18 3.178 12.724 -10.551 1.00 0.00 C ATOM 265 C PRO A 18 4.378 12.344 -9.688 1.00 0.00 C ATOM 266 O PRO A 18 5.470 12.843 -9.887 1.00 0.00 O ATOM 267 CB PRO A 18 2.923 11.590 -11.569 1.00 0.00 C ATOM 268 CG PRO A 18 3.234 12.162 -12.988 1.00 0.00 C ATOM 269 CD PRO A 18 3.594 13.645 -12.813 1.00 0.00 C ATOM 0 HA PRO A 18 2.346 12.908 -9.871 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.558 10.730 -11.354 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.890 11.246 -11.511 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.058 11.618 -13.449 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.371 12.051 -13.645 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.612 13.845 -13.148 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.934 14.283 -13.401 1.00 0.00 H new ATOM 277 N LYS A 19 4.144 11.467 -8.740 1.00 0.00 N ATOM 278 CA LYS A 19 5.248 11.030 -7.843 1.00 0.00 C ATOM 279 C LYS A 19 5.286 9.512 -7.735 1.00 0.00 C ATOM 280 O LYS A 19 4.291 8.884 -7.433 1.00 0.00 O ATOM 281 CB LYS A 19 4.998 11.617 -6.445 1.00 0.00 C ATOM 282 CG LYS A 19 6.303 11.583 -5.647 1.00 0.00 C ATOM 283 CD LYS A 19 5.997 11.857 -4.173 1.00 0.00 C ATOM 284 CE LYS A 19 5.830 13.364 -3.970 1.00 0.00 C ATOM 285 NZ LYS A 19 7.072 14.084 -4.368 1.00 0.00 N ATOM 0 H LYS A 19 3.237 11.039 -8.553 1.00 0.00 H new ATOM 0 HA LYS A 19 6.197 11.377 -8.251 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.634 12.641 -6.527 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.227 11.045 -5.929 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.785 10.612 -5.756 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.998 12.329 -6.032 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.089 11.334 -3.874 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.804 11.480 -3.545 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.988 13.725 -4.560 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.600 13.573 -2.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.161 14.957 -3.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.897 13.476 -4.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.026 14.322 -5.379 1.00 0.00 H new ATOM 299 N ASN A 20 6.435 8.947 -7.987 1.00 0.00 N ATOM 300 CA ASN A 20 6.552 7.472 -7.903 1.00 0.00 C ATOM 301 C ASN A 20 6.583 7.014 -6.456 1.00 0.00 C ATOM 302 O ASN A 20 7.039 7.737 -5.591 1.00 0.00 O ATOM 303 CB ASN A 20 7.857 7.051 -8.581 1.00 0.00 C ATOM 304 CG ASN A 20 7.718 7.214 -10.096 1.00 0.00 C ATOM 305 OD1 ASN A 20 7.590 8.311 -10.604 1.00 0.00 O ATOM 306 ND2 ASN A 20 7.738 6.150 -10.852 1.00 0.00 N ATOM 0 H ASN A 20 7.289 9.442 -8.245 1.00 0.00 H new ATOM 0 HA ASN A 20 5.691 7.019 -8.394 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.683 7.659 -8.213 1.00 0.00 H new ATOM 0 HB3 ASN A 20 8.090 6.015 -8.335 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.646 6.241 -11.864 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.845 5.227 -10.431 1.00 0.00 H new ATOM 313 N LEU A 21 6.095 5.811 -6.217 1.00 0.00 N ATOM 314 CA LEU A 21 6.087 5.285 -4.821 1.00 0.00 C ATOM 315 C LEU A 21 6.794 3.941 -4.731 1.00 0.00 C ATOM 316 O LEU A 21 7.717 3.780 -3.957 1.00 0.00 O ATOM 317 CB LEU A 21 4.626 5.102 -4.375 1.00 0.00 C ATOM 318 CG LEU A 21 3.987 6.478 -4.150 1.00 0.00 C ATOM 319 CD1 LEU A 21 2.575 6.288 -3.596 1.00 0.00 C ATOM 320 CD2 LEU A 21 4.820 7.267 -3.136 1.00 0.00 C ATOM 0 H LEU A 21 5.709 5.185 -6.923 1.00 0.00 H new ATOM 0 HA LEU A 21 6.611 5.995 -4.180 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.069 4.550 -5.132 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.585 4.515 -3.457 1.00 0.00 H new ATOM 0 HG LEU A 21 3.947 7.022 -5.094 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.114 7.262 -3.433 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.978 5.718 -4.308 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.625 5.748 -2.651 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.367 8.245 -2.975 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.854 6.723 -2.192 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.833 7.395 -3.518 1.00 0.00 H new ATOM 332 N VAL A 22 6.359 2.994 -5.515 1.00 0.00 N ATOM 333 CA VAL A 22 7.020 1.664 -5.460 1.00 0.00 C ATOM 334 C VAL A 22 6.744 0.845 -6.711 1.00 0.00 C ATOM 335 O VAL A 22 5.796 1.096 -7.429 1.00 0.00 O ATOM 336 CB VAL A 22 6.463 0.904 -4.249 1.00 0.00 C ATOM 337 CG1 VAL A 22 5.029 0.464 -4.550 1.00 0.00 C ATOM 338 CG2 VAL A 22 7.326 -0.334 -3.991 1.00 0.00 C ATOM 0 H VAL A 22 5.589 3.081 -6.179 1.00 0.00 H new ATOM 0 HA VAL A 22 8.097 1.815 -5.383 1.00 0.00 H new ATOM 0 HB VAL A 22 6.474 1.550 -3.371 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.627 -0.077 -3.693 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.413 1.341 -4.747 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.024 -0.186 -5.425 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.934 -0.878 -3.131 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.307 -0.980 -4.869 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.352 -0.027 -3.789 1.00 0.00 H new ATOM 348 N GLN A 23 7.583 -0.129 -6.947 1.00 0.00 N ATOM 349 CA GLN A 23 7.394 -0.980 -8.139 1.00 0.00 C ATOM 350 C GLN A 23 6.444 -2.123 -7.825 1.00 0.00 C ATOM 351 O GLN A 23 6.236 -2.459 -6.675 1.00 0.00 O ATOM 352 CB GLN A 23 8.756 -1.562 -8.547 1.00 0.00 C ATOM 353 CG GLN A 23 9.646 -0.435 -9.074 1.00 0.00 C ATOM 354 CD GLN A 23 10.717 -1.026 -9.994 1.00 0.00 C ATOM 355 OE1 GLN A 23 11.868 -1.152 -9.626 1.00 0.00 O ATOM 356 NE2 GLN A 23 10.380 -1.397 -11.200 1.00 0.00 N ATOM 0 H GLN A 23 8.386 -0.365 -6.363 1.00 0.00 H new ATOM 0 HA GLN A 23 6.974 -0.381 -8.947 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.229 -2.046 -7.693 1.00 0.00 H new ATOM 0 HB3 GLN A 23 8.624 -2.326 -9.313 1.00 0.00 H new ATOM 0 HG2 GLN A 23 9.045 0.295 -9.617 1.00 0.00 H new ATOM 0 HG3 GLN A 23 10.114 0.093 -8.243 1.00 0.00 H new ATOM 0 HE21 GLN A 23 9.415 -1.294 -11.514 1.00 0.00 H new ATOM 0 HE22 GLN A 23 11.082 -1.790 -11.827 1.00 0.00 H new ATOM 365 N ILE A 24 5.888 -2.703 -8.853 1.00 0.00 N ATOM 366 CA ILE A 24 4.942 -3.830 -8.644 1.00 0.00 C ATOM 367 C ILE A 24 5.603 -5.180 -8.930 1.00 0.00 C ATOM 368 O ILE A 24 6.573 -5.263 -9.658 1.00 0.00 O ATOM 369 CB ILE A 24 3.766 -3.631 -9.607 1.00 0.00 C ATOM 370 CG1 ILE A 24 2.666 -2.825 -8.923 1.00 0.00 C ATOM 371 CG2 ILE A 24 3.202 -5.003 -10.013 1.00 0.00 C ATOM 372 CD1 ILE A 24 1.840 -3.747 -8.019 1.00 0.00 C ATOM 0 H ILE A 24 6.049 -2.444 -9.826 1.00 0.00 H new ATOM 0 HA ILE A 24 4.614 -3.836 -7.604 1.00 0.00 H new ATOM 0 HB ILE A 24 4.114 -3.095 -10.490 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.104 -2.019 -8.334 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.023 -2.361 -9.671 1.00 0.00 H new ATOM 0 HG21 ILE A 24 2.365 -4.864 -10.698 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.981 -5.586 -10.505 1.00 0.00 H new ATOM 0 HG23 ILE A 24 2.859 -5.533 -9.124 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.055 -3.170 -7.531 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.390 -4.537 -8.620 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.488 -4.190 -7.263 1.00 0.00 H new ATOM 384 N LYS A 25 5.051 -6.213 -8.342 1.00 0.00 N ATOM 385 CA LYS A 25 5.608 -7.573 -8.551 1.00 0.00 C ATOM 386 C LYS A 25 4.479 -8.599 -8.673 1.00 0.00 C ATOM 387 O LYS A 25 3.608 -8.666 -7.827 1.00 0.00 O ATOM 388 CB LYS A 25 6.480 -7.927 -7.337 1.00 0.00 C ATOM 389 CG LYS A 25 7.648 -6.938 -7.255 1.00 0.00 C ATOM 390 CD LYS A 25 8.556 -7.321 -6.083 1.00 0.00 C ATOM 391 CE LYS A 25 9.595 -6.217 -5.870 1.00 0.00 C ATOM 392 NZ LYS A 25 9.269 -5.419 -4.654 1.00 0.00 N ATOM 0 H LYS A 25 4.238 -6.167 -7.727 1.00 0.00 H new ATOM 0 HA LYS A 25 6.196 -7.590 -9.469 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.887 -7.886 -6.423 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.856 -8.946 -7.428 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.214 -6.948 -8.187 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.272 -5.924 -7.122 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.964 -7.459 -5.178 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.052 -8.270 -6.287 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.587 -6.658 -5.767 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.625 -5.565 -6.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.984 -4.675 -4.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.332 -4.983 -4.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.264 -6.042 -3.821 1.00 0.00 H new ATOM 406 N SER A 26 4.515 -9.383 -9.727 1.00 0.00 N ATOM 407 CA SER A 26 3.452 -10.411 -9.924 1.00 0.00 C ATOM 408 C SER A 26 3.948 -11.792 -9.537 1.00 0.00 C ATOM 409 O SER A 26 4.424 -12.001 -8.442 1.00 0.00 O ATOM 410 CB SER A 26 3.071 -10.430 -11.413 1.00 0.00 C ATOM 411 OG SER A 26 2.052 -11.415 -11.498 1.00 0.00 O ATOM 0 H SER A 26 5.231 -9.353 -10.452 1.00 0.00 H new ATOM 0 HA SER A 26 2.597 -10.159 -9.296 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.712 -9.456 -11.745 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.925 -10.685 -12.040 1.00 0.00 H new ATOM 0 HG SER A 26 1.747 -11.491 -12.426 1.00 0.00 H new ATOM 417 N ASN A 27 3.820 -12.712 -10.447 1.00 0.00 N ATOM 418 CA ASN A 27 4.274 -14.090 -10.165 1.00 0.00 C ATOM 419 C ASN A 27 4.619 -14.802 -11.462 1.00 0.00 C ATOM 420 O ASN A 27 5.678 -15.378 -11.595 1.00 0.00 O ATOM 421 CB ASN A 27 3.132 -14.846 -9.468 1.00 0.00 C ATOM 422 CG ASN A 27 3.701 -16.072 -8.754 1.00 0.00 C ATOM 423 OD1 ASN A 27 4.502 -16.805 -9.296 1.00 0.00 O ATOM 424 ND2 ASN A 27 3.313 -16.332 -7.534 1.00 0.00 N ATOM 0 H ASN A 27 3.420 -12.565 -11.374 1.00 0.00 H new ATOM 0 HA ASN A 27 5.159 -14.060 -9.530 1.00 0.00 H new ATOM 0 HB2 ASN A 27 2.632 -14.193 -8.752 1.00 0.00 H new ATOM 0 HB3 ASN A 27 2.383 -15.151 -10.199 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.683 -17.146 -7.044 1.00 0.00 H new ATOM 0 HD22 ASN A 27 2.640 -15.721 -7.072 1.00 0.00 H new ATOM 431 N ARG A 28 3.719 -14.740 -12.404 1.00 0.00 N ATOM 432 CA ARG A 28 3.980 -15.409 -13.702 1.00 0.00 C ATOM 433 C ARG A 28 5.309 -14.935 -14.276 1.00 0.00 C ATOM 434 O ARG A 28 5.830 -15.509 -15.216 1.00 0.00 O ATOM 435 CB ARG A 28 2.856 -15.032 -14.682 1.00 0.00 C ATOM 436 CG ARG A 28 1.498 -15.273 -14.014 1.00 0.00 C ATOM 437 CD ARG A 28 1.221 -16.778 -13.961 1.00 0.00 C ATOM 438 NE ARG A 28 -0.124 -17.043 -14.548 1.00 0.00 N ATOM 439 CZ ARG A 28 -1.098 -17.429 -13.770 1.00 0.00 C ATOM 440 NH1 ARG A 28 -1.102 -17.040 -12.524 1.00 0.00 N ATOM 441 NH2 ARG A 28 -2.038 -18.188 -14.263 1.00 0.00 N ATOM 0 H ARG A 28 2.823 -14.259 -12.330 1.00 0.00 H new ATOM 0 HA ARG A 28 4.017 -16.488 -13.553 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.949 -13.986 -14.975 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.937 -15.627 -15.592 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.496 -14.855 -13.007 1.00 0.00 H new ATOM 0 HG3 ARG A 28 0.710 -14.766 -14.571 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.987 -17.322 -14.514 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.259 -17.132 -12.931 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.281 -16.924 -15.549 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.352 -16.444 -12.173 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.855 -17.332 -11.901 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.004 -18.471 -15.243 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.807 -18.499 -13.669 1.00 0.00 H new ATOM 455 N ASP A 29 5.837 -13.898 -13.688 1.00 0.00 N ATOM 456 CA ASP A 29 7.129 -13.356 -14.171 1.00 0.00 C ATOM 457 C ASP A 29 8.246 -14.376 -13.983 1.00 0.00 C ATOM 458 O ASP A 29 9.412 -14.045 -14.070 1.00 0.00 O ATOM 459 CB ASP A 29 7.456 -12.099 -13.345 1.00 0.00 C ATOM 460 CG ASP A 29 8.135 -12.512 -12.039 1.00 0.00 C ATOM 461 OD1 ASP A 29 7.678 -13.495 -11.478 1.00 0.00 O ATOM 462 OD2 ASP A 29 9.074 -11.821 -11.675 1.00 0.00 O ATOM 0 H ASP A 29 5.427 -13.405 -12.895 1.00 0.00 H new ATOM 0 HA ASP A 29 7.050 -13.121 -15.232 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.109 -11.437 -13.913 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.543 -11.542 -13.133 1.00 0.00 H new ATOM 467 N LYS A 30 7.865 -15.602 -13.728 1.00 0.00 N ATOM 468 CA LYS A 30 8.885 -16.661 -13.530 1.00 0.00 C ATOM 469 C LYS A 30 9.099 -17.462 -14.808 1.00 0.00 C ATOM 470 O LYS A 30 10.078 -18.174 -14.934 1.00 0.00 O ATOM 471 CB LYS A 30 8.380 -17.613 -12.435 1.00 0.00 C ATOM 472 CG LYS A 30 8.487 -16.917 -11.076 1.00 0.00 C ATOM 473 CD LYS A 30 7.787 -17.770 -10.017 1.00 0.00 C ATOM 474 CE LYS A 30 8.546 -19.087 -9.852 1.00 0.00 C ATOM 475 NZ LYS A 30 8.206 -19.727 -8.550 1.00 0.00 N ATOM 0 H LYS A 30 6.895 -15.909 -13.650 1.00 0.00 H new ATOM 0 HA LYS A 30 9.830 -16.195 -13.250 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.346 -17.897 -12.631 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.968 -18.531 -12.435 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.534 -16.772 -10.810 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.031 -15.928 -11.124 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.751 -17.236 -9.068 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.756 -17.965 -10.313 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.297 -19.762 -10.671 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.619 -18.904 -9.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.730 -20.620 -8.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.465 -19.088 -7.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.185 -19.920 -8.514 1.00 0.00 H new ATOM 489 N GLU A 31 8.178 -17.330 -15.739 1.00 0.00 N ATOM 490 CA GLU A 31 8.312 -18.082 -17.023 1.00 0.00 C ATOM 491 C GLU A 31 8.685 -17.156 -18.173 1.00 0.00 C ATOM 492 O GLU A 31 9.434 -17.530 -19.054 1.00 0.00 O ATOM 493 CB GLU A 31 6.959 -18.736 -17.346 1.00 0.00 C ATOM 494 CG GLU A 31 5.835 -17.742 -17.059 1.00 0.00 C ATOM 495 CD GLU A 31 4.581 -18.162 -17.828 1.00 0.00 C ATOM 496 OE1 GLU A 31 4.469 -17.724 -18.961 1.00 0.00 O ATOM 497 OE2 GLU A 31 3.806 -18.899 -17.241 1.00 0.00 O ATOM 0 H GLU A 31 7.350 -16.740 -15.663 1.00 0.00 H new ATOM 0 HA GLU A 31 9.099 -18.827 -16.908 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.931 -19.042 -18.392 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.825 -19.636 -16.747 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.626 -17.710 -15.990 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.138 -16.738 -17.355 1.00 0.00 H new ATOM 504 N THR A 32 8.158 -15.963 -18.150 1.00 0.00 N ATOM 505 CA THR A 32 8.478 -15.010 -19.239 1.00 0.00 C ATOM 506 C THR A 32 8.235 -13.571 -18.793 1.00 0.00 C ATOM 507 O THR A 32 7.387 -13.314 -17.961 1.00 0.00 O ATOM 508 CB THR A 32 7.556 -15.329 -20.430 1.00 0.00 C ATOM 509 OG1 THR A 32 8.189 -14.759 -21.558 1.00 0.00 O ATOM 510 CG2 THR A 32 6.220 -14.582 -20.318 1.00 0.00 C ATOM 0 H THR A 32 7.526 -15.613 -17.430 1.00 0.00 H new ATOM 0 HA THR A 32 9.528 -15.110 -19.512 1.00 0.00 H new ATOM 0 HB THR A 32 7.383 -16.404 -20.478 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.649 -14.930 -22.357 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.592 -14.829 -21.174 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.714 -14.878 -19.399 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.404 -13.508 -20.301 1.00 0.00 H new ATOM 518 N LYS A 33 8.995 -12.650 -19.340 1.00 0.00 N ATOM 519 CA LYS A 33 8.798 -11.235 -18.942 1.00 0.00 C ATOM 520 C LYS A 33 7.316 -10.915 -18.986 1.00 0.00 C ATOM 521 O LYS A 33 6.610 -11.420 -19.834 1.00 0.00 O ATOM 522 CB LYS A 33 9.551 -10.329 -19.940 1.00 0.00 C ATOM 523 CG LYS A 33 10.028 -9.052 -19.227 1.00 0.00 C ATOM 524 CD LYS A 33 11.300 -8.537 -19.908 1.00 0.00 C ATOM 525 CE LYS A 33 10.928 -7.877 -21.237 1.00 0.00 C ATOM 526 NZ LYS A 33 12.025 -6.979 -21.699 1.00 0.00 N ATOM 0 H LYS A 33 9.727 -12.820 -20.030 1.00 0.00 H new ATOM 0 HA LYS A 33 9.179 -11.068 -17.934 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.404 -10.863 -20.358 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.898 -10.069 -20.773 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.249 -8.290 -19.261 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.224 -9.260 -18.175 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.808 -7.821 -19.262 1.00 0.00 H new ATOM 0 HD3 LYS A 33 11.994 -9.360 -20.079 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.736 -8.643 -21.989 1.00 0.00 H new ATOM 0 HE3 LYS A 33 10.007 -7.306 -21.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 11.756 -6.539 -22.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 12.189 -6.238 -20.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.896 -7.533 -21.829 1.00 0.00 H new ATOM 540 N VAL A 34 6.863 -10.086 -18.084 1.00 0.00 N ATOM 541 CA VAL A 34 5.415 -9.748 -18.087 1.00 0.00 C ATOM 542 C VAL A 34 5.151 -8.274 -17.780 1.00 0.00 C ATOM 543 O VAL A 34 5.789 -7.678 -16.935 1.00 0.00 O ATOM 544 CB VAL A 34 4.754 -10.624 -17.004 1.00 0.00 C ATOM 545 CG1 VAL A 34 5.629 -10.618 -15.751 1.00 0.00 C ATOM 546 CG2 VAL A 34 3.377 -10.077 -16.650 1.00 0.00 C ATOM 0 H VAL A 34 7.422 -9.637 -17.359 1.00 0.00 H new ATOM 0 HA VAL A 34 5.006 -9.933 -19.080 1.00 0.00 H new ATOM 0 HB VAL A 34 4.648 -11.640 -17.386 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.167 -11.236 -14.981 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.614 -11.017 -15.993 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.731 -9.597 -15.384 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.922 -10.705 -15.884 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.476 -9.059 -16.273 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.747 -10.075 -17.539 1.00 0.00 H new ATOM 556 N PHE A 35 4.197 -7.724 -18.493 1.00 0.00 N ATOM 557 CA PHE A 35 3.835 -6.303 -18.297 1.00 0.00 C ATOM 558 C PHE A 35 2.602 -6.218 -17.408 1.00 0.00 C ATOM 559 O PHE A 35 1.865 -7.185 -17.280 1.00 0.00 O ATOM 560 CB PHE A 35 3.500 -5.685 -19.673 1.00 0.00 C ATOM 561 CG PHE A 35 4.701 -5.810 -20.645 1.00 0.00 C ATOM 562 CD1 PHE A 35 5.996 -6.046 -20.184 1.00 0.00 C ATOM 563 CD2 PHE A 35 4.499 -5.664 -22.009 1.00 0.00 C ATOM 564 CE1 PHE A 35 7.049 -6.128 -21.071 1.00 0.00 C ATOM 565 CE2 PHE A 35 5.560 -5.750 -22.888 1.00 0.00 C ATOM 566 CZ PHE A 35 6.831 -5.981 -22.419 1.00 0.00 C ATOM 0 H PHE A 35 3.655 -8.211 -19.206 1.00 0.00 H new ATOM 0 HA PHE A 35 4.663 -5.768 -17.832 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.630 -6.185 -20.098 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.235 -4.635 -19.549 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.175 -6.165 -19.126 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.504 -5.482 -22.387 1.00 0.00 H new ATOM 0 HE1 PHE A 35 8.049 -6.308 -20.704 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.391 -5.635 -23.948 1.00 0.00 H new ATOM 0 HZ PHE A 35 7.658 -6.047 -23.110 1.00 0.00 H new ATOM 576 N TYR A 36 2.386 -5.059 -16.819 1.00 0.00 N ATOM 577 CA TYR A 36 1.199 -4.899 -15.924 1.00 0.00 C ATOM 578 C TYR A 36 0.117 -3.995 -16.491 1.00 0.00 C ATOM 579 O TYR A 36 0.266 -3.376 -17.525 1.00 0.00 O ATOM 580 CB TYR A 36 1.679 -4.270 -14.615 1.00 0.00 C ATOM 581 CG TYR A 36 2.444 -5.310 -13.818 1.00 0.00 C ATOM 582 CD1 TYR A 36 3.747 -5.605 -14.138 1.00 0.00 C ATOM 583 CD2 TYR A 36 1.842 -5.977 -12.773 1.00 0.00 C ATOM 584 CE1 TYR A 36 4.439 -6.553 -13.429 1.00 0.00 C ATOM 585 CE2 TYR A 36 2.535 -6.926 -12.061 1.00 0.00 C ATOM 586 CZ TYR A 36 3.842 -7.223 -12.386 1.00 0.00 C ATOM 587 OH TYR A 36 4.541 -8.171 -11.677 1.00 0.00 O ATOM 0 H TYR A 36 2.974 -4.231 -16.920 1.00 0.00 H new ATOM 0 HA TYR A 36 0.763 -5.890 -15.796 1.00 0.00 H new ATOM 0 HB2 TYR A 36 2.317 -3.411 -14.822 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.829 -3.905 -14.039 1.00 0.00 H new ATOM 0 HD1 TYR A 36 4.230 -5.087 -14.953 1.00 0.00 H new ATOM 0 HD2 TYR A 36 0.818 -5.752 -12.512 1.00 0.00 H new ATOM 0 HE1 TYR A 36 5.463 -6.776 -13.692 1.00 0.00 H new ATOM 0 HE2 TYR A 36 2.054 -7.442 -11.243 1.00 0.00 H new ATOM 0 HH TYR A 36 5.482 -8.156 -11.951 1.00 0.00 H new ATOM 597 N SER A 37 -0.963 -3.960 -15.763 1.00 0.00 N ATOM 598 CA SER A 37 -2.130 -3.138 -16.140 1.00 0.00 C ATOM 599 C SER A 37 -2.972 -2.943 -14.888 1.00 0.00 C ATOM 600 O SER A 37 -2.994 -3.812 -14.039 1.00 0.00 O ATOM 601 CB SER A 37 -2.951 -3.891 -17.200 1.00 0.00 C ATOM 602 OG SER A 37 -2.376 -5.190 -17.228 1.00 0.00 O ATOM 0 H SER A 37 -1.082 -4.486 -14.897 1.00 0.00 H new ATOM 0 HA SER A 37 -1.819 -2.176 -16.547 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.007 -3.929 -16.933 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.885 -3.405 -18.174 1.00 0.00 H new ATOM 0 HG SER A 37 -2.307 -5.537 -16.314 1.00 0.00 H new ATOM 608 N ILE A 38 -3.642 -1.823 -14.769 1.00 0.00 N ATOM 609 CA ILE A 38 -4.469 -1.619 -13.541 1.00 0.00 C ATOM 610 C ILE A 38 -5.799 -0.944 -13.820 1.00 0.00 C ATOM 611 O ILE A 38 -5.935 -0.159 -14.738 1.00 0.00 O ATOM 612 CB ILE A 38 -3.671 -0.748 -12.580 1.00 0.00 C ATOM 613 CG1 ILE A 38 -4.434 -0.596 -11.272 1.00 0.00 C ATOM 614 CG2 ILE A 38 -3.492 0.641 -13.211 1.00 0.00 C ATOM 615 CD1 ILE A 38 -3.503 -0.010 -10.208 1.00 0.00 C ATOM 0 H ILE A 38 -3.654 -1.062 -15.448 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.693 -2.601 -13.123 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.702 -1.209 -12.386 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.297 0.054 -11.415 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.815 -1.564 -10.945 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.922 1.277 -12.534 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.957 0.545 -14.156 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.470 1.087 -13.391 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.047 0.100 -9.270 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.654 -0.678 -10.059 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.144 0.966 -10.536 1.00 0.00 H new ATOM 627 N THR A 39 -6.759 -1.279 -12.996 1.00 0.00 N ATOM 628 CA THR A 39 -8.110 -0.700 -13.143 1.00 0.00 C ATOM 629 C THR A 39 -8.868 -0.824 -11.824 1.00 0.00 C ATOM 630 O THR A 39 -8.701 -1.791 -11.103 1.00 0.00 O ATOM 631 CB THR A 39 -8.864 -1.479 -14.228 1.00 0.00 C ATOM 632 OG1 THR A 39 -10.232 -1.217 -13.993 1.00 0.00 O ATOM 633 CG2 THR A 39 -8.719 -2.995 -14.018 1.00 0.00 C ATOM 0 H THR A 39 -6.654 -1.936 -12.223 1.00 0.00 H new ATOM 0 HA THR A 39 -8.031 0.352 -13.418 1.00 0.00 H new ATOM 0 HB THR A 39 -8.491 -1.194 -15.212 1.00 0.00 H new ATOM 0 HG1 THR A 39 -10.491 -0.391 -14.453 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.263 -3.524 -14.800 1.00 0.00 H new ATOM 0 HG22 THR A 39 -7.665 -3.269 -14.060 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.127 -3.268 -13.045 1.00 0.00 H new ATOM 641 N GLY A 40 -9.677 0.158 -11.524 1.00 0.00 N ATOM 642 CA GLY A 40 -10.456 0.110 -10.247 1.00 0.00 C ATOM 643 C GLY A 40 -10.434 1.475 -9.564 1.00 0.00 C ATOM 644 O GLY A 40 -9.905 2.428 -10.095 1.00 0.00 O ATOM 0 H GLY A 40 -9.833 0.985 -12.101 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.485 -0.186 -10.451 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.033 -0.644 -9.583 1.00 0.00 H new ATOM 648 N GLN A 41 -11.010 1.541 -8.396 1.00 0.00 N ATOM 649 CA GLN A 41 -11.029 2.833 -7.671 1.00 0.00 C ATOM 650 C GLN A 41 -9.628 3.432 -7.612 1.00 0.00 C ATOM 651 O GLN A 41 -8.717 2.828 -7.082 1.00 0.00 O ATOM 652 CB GLN A 41 -11.527 2.582 -6.238 1.00 0.00 C ATOM 653 CG GLN A 41 -10.982 1.243 -5.741 1.00 0.00 C ATOM 654 CD GLN A 41 -11.424 1.025 -4.292 1.00 0.00 C ATOM 655 OE1 GLN A 41 -10.740 0.393 -3.512 1.00 0.00 O ATOM 656 NE2 GLN A 41 -12.560 1.530 -3.894 1.00 0.00 N ATOM 0 H GLN A 41 -11.463 0.762 -7.919 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.687 3.528 -8.192 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -11.200 3.387 -5.581 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -12.617 2.575 -6.215 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -11.347 0.432 -6.371 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.894 1.233 -5.807 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -13.138 2.061 -4.545 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.870 1.393 -2.932 1.00 0.00 H new ATOM 665 N GLY A 42 -9.488 4.614 -8.161 1.00 0.00 N ATOM 666 CA GLY A 42 -8.151 5.289 -8.156 1.00 0.00 C ATOM 667 C GLY A 42 -7.618 5.406 -9.586 1.00 0.00 C ATOM 668 O GLY A 42 -6.813 6.267 -9.885 1.00 0.00 O ATOM 0 H GLY A 42 -10.238 5.139 -8.611 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.236 6.279 -7.709 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.450 4.722 -7.543 1.00 0.00 H new ATOM 672 N ALA A 43 -8.087 4.527 -10.437 1.00 0.00 N ATOM 673 CA ALA A 43 -7.638 4.549 -11.856 1.00 0.00 C ATOM 674 C ALA A 43 -8.801 4.900 -12.769 1.00 0.00 C ATOM 675 O ALA A 43 -8.831 5.964 -13.359 1.00 0.00 O ATOM 676 CB ALA A 43 -7.129 3.145 -12.222 1.00 0.00 C ATOM 0 H ALA A 43 -8.761 3.797 -10.207 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.852 5.294 -11.978 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.794 3.138 -13.259 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.297 2.878 -11.571 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.935 2.422 -12.096 1.00 0.00 H new ATOM 682 N ASP A 44 -9.743 3.994 -12.861 1.00 0.00 N ATOM 683 CA ASP A 44 -10.927 4.236 -13.728 1.00 0.00 C ATOM 684 C ASP A 44 -12.171 4.517 -12.889 1.00 0.00 C ATOM 685 O ASP A 44 -13.103 5.144 -13.352 1.00 0.00 O ATOM 686 CB ASP A 44 -11.174 2.970 -14.563 1.00 0.00 C ATOM 687 CG ASP A 44 -11.469 1.797 -13.627 1.00 0.00 C ATOM 688 OD1 ASP A 44 -11.188 1.959 -12.450 1.00 0.00 O ATOM 689 OD2 ASP A 44 -11.959 0.805 -14.141 1.00 0.00 O ATOM 0 H ASP A 44 -9.739 3.099 -12.372 1.00 0.00 H new ATOM 0 HA ASP A 44 -10.734 5.101 -14.363 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.011 3.127 -15.243 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.301 2.749 -15.177 1.00 0.00 H new ATOM 694 N LYS A 45 -12.157 4.049 -11.662 1.00 0.00 N ATOM 695 CA LYS A 45 -13.330 4.277 -10.774 1.00 0.00 C ATOM 696 C LYS A 45 -13.070 5.451 -9.819 1.00 0.00 C ATOM 697 O LYS A 45 -11.943 5.718 -9.453 1.00 0.00 O ATOM 698 CB LYS A 45 -13.551 3.009 -9.936 1.00 0.00 C ATOM 699 CG LYS A 45 -14.705 2.202 -10.537 1.00 0.00 C ATOM 700 CD LYS A 45 -14.598 0.749 -10.066 1.00 0.00 C ATOM 701 CE LYS A 45 -15.438 -0.138 -10.987 1.00 0.00 C ATOM 702 NZ LYS A 45 -15.884 -1.362 -10.264 1.00 0.00 N ATOM 0 H LYS A 45 -11.388 3.524 -11.245 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.202 4.507 -11.386 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -12.642 2.408 -9.918 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.777 3.276 -8.904 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.661 2.627 -10.231 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.670 2.248 -11.625 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -13.557 0.425 -10.078 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.947 0.660 -9.037 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.305 0.417 -11.345 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -14.854 -0.418 -11.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.453 -1.954 -10.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.053 -1.898 -9.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.458 -1.089 -9.441 1.00 0.00 H new ATOM 716 N PRO A 46 -14.136 6.135 -9.432 1.00 0.00 N ATOM 717 CA PRO A 46 -14.024 7.274 -8.524 1.00 0.00 C ATOM 718 C PRO A 46 -13.391 6.860 -7.175 1.00 0.00 C ATOM 719 O PRO A 46 -13.810 5.891 -6.574 1.00 0.00 O ATOM 720 CB PRO A 46 -15.483 7.726 -8.281 1.00 0.00 C ATOM 721 CG PRO A 46 -16.411 6.759 -9.078 1.00 0.00 C ATOM 722 CD PRO A 46 -15.503 5.809 -9.869 1.00 0.00 C ATOM 0 HA PRO A 46 -13.392 8.055 -8.946 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -15.721 7.697 -7.218 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.626 8.755 -8.612 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -17.056 6.200 -8.401 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -17.062 7.318 -9.750 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -15.746 4.767 -9.661 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -15.619 5.955 -10.943 1.00 0.00 H new ATOM 730 N PRO A 47 -12.383 7.609 -6.715 1.00 0.00 N ATOM 731 CA PRO A 47 -11.818 8.767 -7.432 1.00 0.00 C ATOM 732 C PRO A 47 -11.066 8.324 -8.692 1.00 0.00 C ATOM 733 O PRO A 47 -10.096 7.597 -8.613 1.00 0.00 O ATOM 734 CB PRO A 47 -10.816 9.391 -6.438 1.00 0.00 C ATOM 735 CG PRO A 47 -10.765 8.467 -5.183 1.00 0.00 C ATOM 736 CD PRO A 47 -11.770 7.328 -5.414 1.00 0.00 C ATOM 0 HA PRO A 47 -12.599 9.458 -7.750 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -9.829 9.477 -6.892 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -11.128 10.398 -6.161 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.760 8.070 -5.039 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -11.019 9.027 -4.283 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -11.272 6.359 -5.415 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -12.520 7.300 -4.624 1.00 0.00 H new ATOM 744 N VAL A 48 -11.527 8.775 -9.827 1.00 0.00 N ATOM 745 CA VAL A 48 -10.853 8.390 -11.095 1.00 0.00 C ATOM 746 C VAL A 48 -9.611 9.236 -11.348 1.00 0.00 C ATOM 747 O VAL A 48 -9.573 10.405 -11.024 1.00 0.00 O ATOM 748 CB VAL A 48 -11.844 8.614 -12.250 1.00 0.00 C ATOM 749 CG1 VAL A 48 -12.516 9.980 -12.082 1.00 0.00 C ATOM 750 CG2 VAL A 48 -11.084 8.585 -13.580 1.00 0.00 C ATOM 0 H VAL A 48 -12.335 9.389 -9.929 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.546 7.347 -11.025 1.00 0.00 H new ATOM 0 HB VAL A 48 -12.601 7.829 -12.242 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -13.219 10.142 -12.899 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -13.050 10.008 -11.132 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -11.758 10.763 -12.095 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -11.782 8.743 -14.402 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -10.331 9.374 -13.586 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.597 7.617 -13.700 1.00 0.00 H new ATOM 760 N GLY A 49 -8.611 8.623 -11.924 1.00 0.00 N ATOM 761 CA GLY A 49 -7.357 9.374 -12.213 1.00 0.00 C ATOM 762 C GLY A 49 -6.594 9.709 -10.926 1.00 0.00 C ATOM 763 O GLY A 49 -6.627 10.830 -10.458 1.00 0.00 O ATOM 0 H GLY A 49 -8.609 7.642 -12.205 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.721 8.782 -12.871 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.597 10.295 -12.745 1.00 0.00 H new ATOM 767 N VAL A 50 -5.920 8.731 -10.383 1.00 0.00 N ATOM 768 CA VAL A 50 -5.152 8.977 -9.136 1.00 0.00 C ATOM 769 C VAL A 50 -3.901 8.107 -9.103 1.00 0.00 C ATOM 770 O VAL A 50 -2.836 8.564 -8.711 1.00 0.00 O ATOM 771 CB VAL A 50 -6.035 8.624 -7.925 1.00 0.00 C ATOM 772 CG1 VAL A 50 -5.221 8.794 -6.636 1.00 0.00 C ATOM 773 CG2 VAL A 50 -7.239 9.567 -7.887 1.00 0.00 C ATOM 0 H VAL A 50 -5.870 7.780 -10.748 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.859 10.026 -9.102 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.377 7.593 -8.010 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.844 8.545 -5.777 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.356 8.131 -6.662 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.884 9.827 -6.552 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.867 9.321 -7.031 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.892 10.597 -7.798 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.817 9.457 -8.805 1.00 0.00 H new ATOM 783 N PHE A 51 -4.056 6.861 -9.526 1.00 0.00 N ATOM 784 CA PHE A 51 -2.894 5.919 -9.537 1.00 0.00 C ATOM 785 C PHE A 51 -2.626 5.371 -10.932 1.00 0.00 C ATOM 786 O PHE A 51 -3.536 4.967 -11.630 1.00 0.00 O ATOM 787 CB PHE A 51 -3.217 4.712 -8.636 1.00 0.00 C ATOM 788 CG PHE A 51 -2.969 5.064 -7.178 1.00 0.00 C ATOM 789 CD1 PHE A 51 -1.685 5.051 -6.665 1.00 0.00 C ATOM 790 CD2 PHE A 51 -4.025 5.361 -6.341 1.00 0.00 C ATOM 791 CE1 PHE A 51 -1.464 5.328 -5.336 1.00 0.00 C ATOM 792 CE2 PHE A 51 -3.803 5.638 -5.012 1.00 0.00 C ATOM 793 CZ PHE A 51 -2.522 5.622 -4.510 1.00 0.00 C ATOM 0 H PHE A 51 -4.935 6.467 -9.860 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.022 6.472 -9.188 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.256 4.414 -8.774 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -2.600 3.860 -8.922 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -0.851 4.822 -7.312 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.032 5.376 -6.732 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.459 5.314 -4.942 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -4.635 5.868 -4.362 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.348 5.841 -3.467 1.00 0.00 H new ATOM 803 N ILE A 52 -1.379 5.369 -11.310 1.00 0.00 N ATOM 804 CA ILE A 52 -1.011 4.852 -12.648 1.00 0.00 C ATOM 805 C ILE A 52 0.274 4.073 -12.534 1.00 0.00 C ATOM 806 O ILE A 52 1.069 4.314 -11.640 1.00 0.00 O ATOM 807 CB ILE A 52 -0.846 6.017 -13.641 1.00 0.00 C ATOM 808 CG1 ILE A 52 0.273 6.956 -13.196 1.00 0.00 C ATOM 809 CG2 ILE A 52 -2.173 6.799 -13.704 1.00 0.00 C ATOM 810 CD1 ILE A 52 -0.266 8.000 -12.206 1.00 0.00 C ATOM 0 H ILE A 52 -0.599 5.705 -10.745 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.801 4.198 -13.019 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.588 5.617 -14.622 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.074 6.382 -12.729 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.703 7.456 -14.064 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.073 7.629 -14.404 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.971 6.136 -14.039 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.415 7.186 -12.714 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.544 8.662 -11.898 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.051 8.585 -12.686 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.674 7.495 -11.331 1.00 0.00 H new ATOM 822 N ILE A 53 0.462 3.148 -13.429 1.00 0.00 N ATOM 823 CA ILE A 53 1.695 2.342 -13.376 1.00 0.00 C ATOM 824 C ILE A 53 2.265 2.066 -14.752 1.00 0.00 C ATOM 825 O ILE A 53 1.542 1.957 -15.722 1.00 0.00 O ATOM 826 CB ILE A 53 1.325 1.011 -12.739 1.00 0.00 C ATOM 827 CG1 ILE A 53 2.583 0.244 -12.408 1.00 0.00 C ATOM 828 CG2 ILE A 53 0.495 0.202 -13.754 1.00 0.00 C ATOM 829 CD1 ILE A 53 2.267 -1.254 -12.332 1.00 0.00 C ATOM 0 H ILE A 53 -0.182 2.921 -14.187 1.00 0.00 H new ATOM 0 HA ILE A 53 2.450 2.890 -12.812 1.00 0.00 H new ATOM 0 HB ILE A 53 0.753 1.179 -11.826 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.343 0.427 -13.167 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.992 0.588 -11.458 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.219 -0.757 -13.316 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.408 0.757 -14.010 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.085 0.033 -14.655 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.176 -1.806 -12.093 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.521 -1.430 -11.557 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.879 -1.593 -13.292 1.00 0.00 H new ATOM 841 N GLU A 54 3.567 1.957 -14.808 1.00 0.00 N ATOM 842 CA GLU A 54 4.218 1.685 -16.105 1.00 0.00 C ATOM 843 C GLU A 54 4.143 0.194 -16.408 1.00 0.00 C ATOM 844 O GLU A 54 4.943 -0.581 -15.928 1.00 0.00 O ATOM 845 CB GLU A 54 5.694 2.111 -16.011 1.00 0.00 C ATOM 846 CG GLU A 54 5.932 3.294 -16.951 1.00 0.00 C ATOM 847 CD GLU A 54 6.128 2.774 -18.376 1.00 0.00 C ATOM 848 OE1 GLU A 54 5.543 1.743 -18.662 1.00 0.00 O ATOM 849 OE2 GLU A 54 6.852 3.438 -19.098 1.00 0.00 O ATOM 0 H GLU A 54 4.197 2.045 -14.011 1.00 0.00 H new ATOM 0 HA GLU A 54 3.716 2.239 -16.898 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.941 2.389 -14.986 1.00 0.00 H new ATOM 0 HB3 GLU A 54 6.344 1.279 -16.281 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.085 3.979 -16.915 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.810 3.856 -16.632 1.00 0.00 H new ATOM 856 N ARG A 55 3.173 -0.179 -17.193 1.00 0.00 N ATOM 857 CA ARG A 55 3.023 -1.614 -17.541 1.00 0.00 C ATOM 858 C ARG A 55 4.360 -2.248 -17.897 1.00 0.00 C ATOM 859 O ARG A 55 4.482 -3.453 -17.924 1.00 0.00 O ATOM 860 CB ARG A 55 2.090 -1.721 -18.756 1.00 0.00 C ATOM 861 CG ARG A 55 2.696 -0.940 -19.923 1.00 0.00 C ATOM 862 CD ARG A 55 1.575 -0.495 -20.864 1.00 0.00 C ATOM 863 NE ARG A 55 0.641 0.395 -20.117 1.00 0.00 N ATOM 864 CZ ARG A 55 -0.564 -0.024 -19.840 1.00 0.00 C ATOM 865 NH1 ARG A 55 -0.809 -1.307 -19.864 1.00 0.00 N ATOM 866 NH2 ARG A 55 -1.484 0.854 -19.546 1.00 0.00 N ATOM 0 H ARG A 55 2.481 0.446 -17.606 1.00 0.00 H new ATOM 0 HA ARG A 55 2.616 -2.139 -16.677 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.953 -2.766 -19.034 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.105 -1.325 -18.510 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.242 -0.073 -19.552 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.413 -1.562 -20.460 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.991 0.031 -21.723 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.040 -1.363 -21.250 1.00 0.00 H new ATOM 0 HE ARG A 55 0.941 1.325 -19.824 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -0.064 -1.964 -20.097 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -1.745 -1.652 -19.650 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.256 1.848 -19.536 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -2.431 0.546 -19.327 1.00 0.00 H new ATOM 880 N GLU A 56 5.342 -1.429 -18.158 1.00 0.00 N ATOM 881 CA GLU A 56 6.674 -1.983 -18.515 1.00 0.00 C ATOM 882 C GLU A 56 7.546 -2.171 -17.276 1.00 0.00 C ATOM 883 O GLU A 56 7.850 -3.284 -16.893 1.00 0.00 O ATOM 884 CB GLU A 56 7.372 -0.993 -19.463 1.00 0.00 C ATOM 885 CG GLU A 56 6.825 -1.182 -20.881 1.00 0.00 C ATOM 886 CD GLU A 56 7.843 -0.649 -21.892 1.00 0.00 C ATOM 887 OE1 GLU A 56 8.762 0.012 -21.438 1.00 0.00 O ATOM 888 OE2 GLU A 56 7.643 -0.933 -23.062 1.00 0.00 O ATOM 0 H GLU A 56 5.279 -0.411 -18.139 1.00 0.00 H new ATOM 0 HA GLU A 56 6.534 -2.955 -18.989 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.202 0.030 -19.128 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.449 -1.158 -19.451 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.627 -2.237 -21.069 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.877 -0.655 -20.990 1.00 0.00 H new ATOM 895 N THR A 57 7.935 -1.081 -16.676 1.00 0.00 N ATOM 896 CA THR A 57 8.788 -1.180 -15.463 1.00 0.00 C ATOM 897 C THR A 57 7.950 -1.441 -14.213 1.00 0.00 C ATOM 898 O THR A 57 8.458 -1.431 -13.109 1.00 0.00 O ATOM 899 CB THR A 57 9.530 0.146 -15.296 1.00 0.00 C ATOM 900 OG1 THR A 57 8.550 1.071 -14.873 1.00 0.00 O ATOM 901 CG2 THR A 57 10.002 0.679 -16.656 1.00 0.00 C ATOM 0 H THR A 57 7.701 -0.133 -16.971 1.00 0.00 H new ATOM 0 HA THR A 57 9.482 -2.011 -15.584 1.00 0.00 H new ATOM 0 HB THR A 57 10.376 0.015 -14.621 1.00 0.00 H new ATOM 0 HG1 THR A 57 8.864 1.983 -15.048 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.528 1.623 -16.514 1.00 0.00 H new ATOM 0 HG22 THR A 57 10.674 -0.045 -17.117 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.140 0.837 -17.304 1.00 0.00 H new ATOM 909 N GLY A 58 6.684 -1.668 -14.410 1.00 0.00 N ATOM 910 CA GLY A 58 5.794 -1.933 -13.242 1.00 0.00 C ATOM 911 C GLY A 58 5.950 -0.849 -12.169 1.00 0.00 C ATOM 912 O GLY A 58 5.586 -1.051 -11.027 1.00 0.00 O ATOM 0 H GLY A 58 6.226 -1.682 -15.321 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.757 -1.973 -13.574 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.030 -2.908 -12.815 1.00 0.00 H new ATOM 916 N TRP A 59 6.492 0.278 -12.549 1.00 0.00 N ATOM 917 CA TRP A 59 6.669 1.367 -11.556 1.00 0.00 C ATOM 918 C TRP A 59 5.320 1.970 -11.191 1.00 0.00 C ATOM 919 O TRP A 59 4.630 2.492 -12.045 1.00 0.00 O ATOM 920 CB TRP A 59 7.544 2.467 -12.182 1.00 0.00 C ATOM 921 CG TRP A 59 8.947 2.414 -11.572 1.00 0.00 C ATOM 922 CD1 TRP A 59 10.043 2.092 -12.242 1.00 0.00 C ATOM 923 CD2 TRP A 59 9.222 2.683 -10.322 1.00 0.00 C ATOM 924 NE1 TRP A 59 11.018 2.179 -11.319 1.00 0.00 N ATOM 925 CE2 TRP A 59 10.575 2.553 -10.064 1.00 0.00 C ATOM 926 CE3 TRP A 59 8.362 3.060 -9.312 1.00 0.00 C ATOM 927 CZ2 TRP A 59 11.062 2.799 -8.798 1.00 0.00 C ATOM 928 CZ3 TRP A 59 8.851 3.306 -8.044 1.00 0.00 C ATOM 929 CH2 TRP A 59 10.201 3.175 -7.788 1.00 0.00 C ATOM 0 H TRP A 59 6.815 0.486 -13.494 1.00 0.00 H new ATOM 0 HA TRP A 59 7.138 0.962 -10.659 1.00 0.00 H new ATOM 0 HB2 TRP A 59 7.600 2.331 -13.262 1.00 0.00 H new ATOM 0 HB3 TRP A 59 7.097 3.446 -12.007 1.00 0.00 H new ATOM 0 HD1 TRP A 59 10.133 1.823 -13.284 1.00 0.00 H new ATOM 0 HE1 TRP A 59 11.998 1.986 -11.527 1.00 0.00 H new ATOM 0 HE3 TRP A 59 7.306 3.163 -9.513 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 12.118 2.697 -8.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 8.177 3.601 -7.253 1.00 0.00 H new ATOM 0 HH2 TRP A 59 10.583 3.367 -6.796 1.00 0.00 H new ATOM 940 N LEU A 60 4.962 1.883 -9.931 1.00 0.00 N ATOM 941 CA LEU A 60 3.653 2.453 -9.506 1.00 0.00 C ATOM 942 C LEU A 60 3.817 3.874 -8.992 1.00 0.00 C ATOM 943 O LEU A 60 4.546 4.120 -8.031 1.00 0.00 O ATOM 944 CB LEU A 60 3.069 1.584 -8.372 1.00 0.00 C ATOM 945 CG LEU A 60 1.540 1.466 -8.552 1.00 0.00 C ATOM 946 CD1 LEU A 60 0.944 0.707 -7.369 1.00 0.00 C ATOM 947 CD2 LEU A 60 0.911 2.863 -8.593 1.00 0.00 C ATOM 0 H LEU A 60 5.514 1.448 -9.192 1.00 0.00 H new ATOM 0 HA LEU A 60 2.987 2.465 -10.369 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.525 0.594 -8.386 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.299 2.028 -7.403 1.00 0.00 H new ATOM 0 HG LEU A 60 1.336 0.937 -9.483 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.135 0.624 -7.496 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.381 -0.290 -7.319 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.160 1.245 -6.446 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.168 2.773 -8.720 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.124 3.385 -7.660 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.329 3.426 -9.428 1.00 0.00 H new ATOM 959 N LYS A 61 3.139 4.786 -9.647 1.00 0.00 N ATOM 960 CA LYS A 61 3.218 6.206 -9.236 1.00 0.00 C ATOM 961 C LYS A 61 1.818 6.785 -9.138 1.00 0.00 C ATOM 962 O LYS A 61 0.894 6.271 -9.745 1.00 0.00 O ATOM 963 CB LYS A 61 4.026 6.989 -10.295 1.00 0.00 C ATOM 964 CG LYS A 61 3.309 6.904 -11.636 1.00 0.00 C ATOM 965 CD LYS A 61 4.288 7.250 -12.767 1.00 0.00 C ATOM 966 CE LYS A 61 4.344 8.771 -12.944 1.00 0.00 C ATOM 967 NZ LYS A 61 4.961 9.120 -14.255 1.00 0.00 N ATOM 0 H LYS A 61 2.536 4.599 -10.448 1.00 0.00 H new ATOM 0 HA LYS A 61 3.707 6.283 -8.265 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.133 8.030 -9.992 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.032 6.577 -10.380 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.908 5.901 -11.783 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.463 7.591 -11.651 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.280 6.863 -12.535 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.970 6.776 -13.696 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.338 9.187 -12.886 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.921 9.217 -12.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.376 10.072 -14.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.705 8.430 -14.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.233 9.102 -14.997 1.00 0.00 H new ATOM 981 N VAL A 62 1.681 7.842 -8.374 1.00 0.00 N ATOM 982 CA VAL A 62 0.333 8.471 -8.219 1.00 0.00 C ATOM 983 C VAL A 62 0.355 9.957 -8.562 1.00 0.00 C ATOM 984 O VAL A 62 1.364 10.625 -8.411 1.00 0.00 O ATOM 985 CB VAL A 62 -0.118 8.284 -6.742 1.00 0.00 C ATOM 986 CG1 VAL A 62 0.927 7.450 -6.004 1.00 0.00 C ATOM 987 CG2 VAL A 62 -0.253 9.645 -6.040 1.00 0.00 C ATOM 0 H VAL A 62 2.436 8.292 -7.856 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.361 7.990 -8.908 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.086 7.782 -6.732 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.618 7.314 -4.967 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.021 6.476 -6.485 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.888 7.963 -6.032 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.569 9.492 -5.008 1.00 0.00 H new ATOM 0 HG22 VAL A 62 0.709 10.158 -6.053 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.994 10.251 -6.561 1.00 0.00 H new ATOM 997 N THR A 63 -0.772 10.436 -9.032 1.00 0.00 N ATOM 998 CA THR A 63 -0.878 11.865 -9.398 1.00 0.00 C ATOM 999 C THR A 63 -1.646 12.621 -8.329 1.00 0.00 C ATOM 1000 O THR A 63 -1.529 13.826 -8.218 1.00 0.00 O ATOM 1001 CB THR A 63 -1.652 11.976 -10.717 1.00 0.00 C ATOM 1002 OG1 THR A 63 -2.774 11.132 -10.561 1.00 0.00 O ATOM 1003 CG2 THR A 63 -0.860 11.355 -11.871 1.00 0.00 C ATOM 0 H THR A 63 -1.621 9.889 -9.175 1.00 0.00 H new ATOM 0 HA THR A 63 0.122 12.287 -9.495 1.00 0.00 H new ATOM 0 HB THR A 63 -1.874 13.022 -10.928 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.318 11.157 -11.376 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.431 11.447 -12.795 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.092 11.874 -11.980 1.00 0.00 H new ATOM 0 HG23 THR A 63 -0.677 10.301 -11.661 1.00 0.00 H new ATOM 1011 N GLN A 64 -2.428 11.888 -7.556 1.00 0.00 N ATOM 1012 CA GLN A 64 -3.224 12.543 -6.475 1.00 0.00 C ATOM 1013 C GLN A 64 -2.981 11.860 -5.105 1.00 0.00 C ATOM 1014 O GLN A 64 -3.094 10.656 -4.991 1.00 0.00 O ATOM 1015 CB GLN A 64 -4.712 12.392 -6.835 1.00 0.00 C ATOM 1016 CG GLN A 64 -5.045 13.326 -8.002 1.00 0.00 C ATOM 1017 CD GLN A 64 -6.406 13.980 -7.754 1.00 0.00 C ATOM 1018 OE1 GLN A 64 -7.471 13.226 -7.706 1.00 0.00 O flip ATOM 1019 NE2 GLN A 64 -6.511 15.180 -7.600 1.00 0.00 N flip ATOM 0 H GLN A 64 -2.543 10.877 -7.632 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.927 13.589 -6.396 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.930 11.359 -7.107 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.333 12.632 -5.972 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.274 14.090 -8.102 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.063 12.766 -8.937 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -5.682 15.773 -7.637 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.428 15.595 -7.434 1.00 0.00 H new ATOM 1028 N PRO A 65 -2.648 12.655 -4.079 1.00 0.00 N ATOM 1029 CA PRO A 65 -2.398 12.107 -2.741 1.00 0.00 C ATOM 1030 C PRO A 65 -3.654 11.445 -2.178 1.00 0.00 C ATOM 1031 O PRO A 65 -4.724 11.576 -2.741 1.00 0.00 O ATOM 1032 CB PRO A 65 -2.030 13.329 -1.872 1.00 0.00 C ATOM 1033 CG PRO A 65 -2.157 14.597 -2.773 1.00 0.00 C ATOM 1034 CD PRO A 65 -2.503 14.116 -4.191 1.00 0.00 C ATOM 0 HA PRO A 65 -1.616 11.348 -2.761 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -2.694 13.402 -1.011 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.016 13.233 -1.485 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.932 15.263 -2.393 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.225 15.162 -2.775 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -3.424 14.577 -4.549 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.718 14.381 -4.899 1.00 0.00 H new ATOM 1042 N LEU A 66 -3.506 10.742 -1.073 1.00 0.00 N ATOM 1043 CA LEU A 66 -4.698 10.069 -0.474 1.00 0.00 C ATOM 1044 C LEU A 66 -5.277 10.891 0.670 1.00 0.00 C ATOM 1045 O LEU A 66 -4.680 11.852 1.112 1.00 0.00 O ATOM 1046 CB LEU A 66 -4.267 8.709 0.087 1.00 0.00 C ATOM 1047 CG LEU A 66 -3.527 7.922 -0.993 1.00 0.00 C ATOM 1048 CD1 LEU A 66 -3.552 6.437 -0.636 1.00 0.00 C ATOM 1049 CD2 LEU A 66 -4.226 8.119 -2.337 1.00 0.00 C ATOM 0 H LEU A 66 -2.627 10.610 -0.573 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.455 9.957 -1.250 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.623 8.850 0.955 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.140 8.150 0.425 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.498 8.274 -1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.025 5.869 -1.403 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.064 6.286 0.327 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.585 6.094 -0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.698 7.557 -3.108 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.254 7.763 -2.268 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.226 9.178 -2.595 1.00 0.00 H new ATOM 1061 N ASP A 67 -6.438 10.488 1.128 1.00 0.00 N ATOM 1062 CA ASP A 67 -7.086 11.226 2.246 1.00 0.00 C ATOM 1063 C ASP A 67 -7.731 10.253 3.228 1.00 0.00 C ATOM 1064 O ASP A 67 -8.791 9.721 2.971 1.00 0.00 O ATOM 1065 CB ASP A 67 -8.177 12.134 1.660 1.00 0.00 C ATOM 1066 CG ASP A 67 -9.063 12.656 2.794 1.00 0.00 C ATOM 1067 OD1 ASP A 67 -8.619 12.537 3.925 1.00 0.00 O ATOM 1068 OD2 ASP A 67 -10.132 13.145 2.465 1.00 0.00 O ATOM 0 H ASP A 67 -6.958 9.685 0.776 1.00 0.00 H new ATOM 0 HA ASP A 67 -6.333 11.811 2.774 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.723 12.968 1.124 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.778 11.581 0.939 1.00 0.00 H new ATOM 1073 N ARG A 68 -7.079 10.040 4.340 1.00 0.00 N ATOM 1074 CA ARG A 68 -7.638 9.107 5.351 1.00 0.00 C ATOM 1075 C ARG A 68 -9.092 9.439 5.662 1.00 0.00 C ATOM 1076 O ARG A 68 -9.893 8.557 5.910 1.00 0.00 O ATOM 1077 CB ARG A 68 -6.817 9.241 6.641 1.00 0.00 C ATOM 1078 CG ARG A 68 -5.850 8.061 6.742 1.00 0.00 C ATOM 1079 CD ARG A 68 -5.106 8.135 8.076 1.00 0.00 C ATOM 1080 NE ARG A 68 -4.296 6.896 8.247 1.00 0.00 N ATOM 1081 CZ ARG A 68 -4.158 6.380 9.438 1.00 0.00 C ATOM 1082 NH1 ARG A 68 -5.225 6.140 10.149 1.00 0.00 N ATOM 1083 NH2 ARG A 68 -2.956 6.120 9.876 1.00 0.00 N ATOM 0 H ARG A 68 -6.188 10.471 4.588 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.591 8.092 4.956 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.265 10.181 6.640 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.478 9.261 7.507 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -6.396 7.120 6.668 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.141 8.084 5.914 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.461 9.013 8.099 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.815 8.238 8.898 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.853 6.455 7.441 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.148 6.355 9.772 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.136 5.737 11.082 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.145 6.320 9.290 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -2.828 5.717 10.804 1.00 0.00 H new ATOM 1097 N GLU A 69 -9.412 10.702 5.645 1.00 0.00 N ATOM 1098 CA GLU A 69 -10.809 11.098 5.940 1.00 0.00 C ATOM 1099 C GLU A 69 -11.774 10.413 4.982 1.00 0.00 C ATOM 1100 O GLU A 69 -12.884 10.079 5.348 1.00 0.00 O ATOM 1101 CB GLU A 69 -10.933 12.620 5.769 1.00 0.00 C ATOM 1102 CG GLU A 69 -9.965 13.316 6.730 1.00 0.00 C ATOM 1103 CD GLU A 69 -10.729 14.356 7.554 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -11.288 13.947 8.559 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -10.711 15.500 7.131 1.00 0.00 O ATOM 0 H GLU A 69 -8.771 11.469 5.441 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.057 10.801 6.959 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.708 12.902 4.740 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.956 12.938 5.970 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.500 12.583 7.389 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.162 13.797 6.171 1.00 0.00 H new ATOM 1112 N ALA A 70 -11.332 10.216 3.769 1.00 0.00 N ATOM 1113 CA ALA A 70 -12.208 9.555 2.769 1.00 0.00 C ATOM 1114 C ALA A 70 -11.927 8.057 2.710 1.00 0.00 C ATOM 1115 O ALA A 70 -12.828 7.250 2.811 1.00 0.00 O ATOM 1116 CB ALA A 70 -11.916 10.169 1.389 1.00 0.00 C ATOM 0 H ALA A 70 -10.407 10.484 3.432 1.00 0.00 H new ATOM 0 HA ALA A 70 -13.250 9.704 3.052 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -12.550 9.696 0.639 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -12.122 11.239 1.416 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.869 10.007 1.133 1.00 0.00 H new ATOM 1122 N ILE A 71 -10.676 7.714 2.544 1.00 0.00 N ATOM 1123 CA ILE A 71 -10.316 6.275 2.477 1.00 0.00 C ATOM 1124 C ILE A 71 -8.949 6.027 3.106 1.00 0.00 C ATOM 1125 O ILE A 71 -7.974 6.656 2.745 1.00 0.00 O ATOM 1126 CB ILE A 71 -10.255 5.863 1.004 1.00 0.00 C ATOM 1127 CG1 ILE A 71 -11.615 6.067 0.351 1.00 0.00 C ATOM 1128 CG2 ILE A 71 -9.895 4.369 0.929 1.00 0.00 C ATOM 1129 CD1 ILE A 71 -11.512 5.720 -1.137 1.00 0.00 C ATOM 0 H ILE A 71 -9.897 8.366 2.453 1.00 0.00 H new ATOM 0 HA ILE A 71 -11.063 5.696 3.020 1.00 0.00 H new ATOM 0 HB ILE A 71 -9.510 6.468 0.488 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -12.362 5.437 0.833 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -11.941 7.100 0.475 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -9.847 4.058 -0.115 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -8.927 4.204 1.401 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.656 3.785 1.447 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.482 5.864 -1.612 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -10.776 6.369 -1.612 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -11.204 4.680 -1.248 1.00 0.00 H new ATOM 1141 N ALA A 72 -8.903 5.111 4.039 1.00 0.00 N ATOM 1142 CA ALA A 72 -7.609 4.806 4.704 1.00 0.00 C ATOM 1143 C ALA A 72 -6.940 3.607 4.046 1.00 0.00 C ATOM 1144 O ALA A 72 -5.860 3.201 4.433 1.00 0.00 O ATOM 1145 CB ALA A 72 -7.890 4.472 6.177 1.00 0.00 C ATOM 0 H ALA A 72 -9.702 4.566 4.365 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.947 5.668 4.619 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.952 4.245 6.684 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.366 5.326 6.659 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.552 3.608 6.234 1.00 0.00 H new ATOM 1151 N LYS A 73 -7.594 3.063 3.059 1.00 0.00 N ATOM 1152 CA LYS A 73 -7.023 1.890 2.354 1.00 0.00 C ATOM 1153 C LYS A 73 -7.622 1.762 0.956 1.00 0.00 C ATOM 1154 O LYS A 73 -8.815 1.582 0.805 1.00 0.00 O ATOM 1155 CB LYS A 73 -7.366 0.633 3.167 1.00 0.00 C ATOM 1156 CG LYS A 73 -7.263 -0.598 2.266 1.00 0.00 C ATOM 1157 CD LYS A 73 -7.347 -1.859 3.131 1.00 0.00 C ATOM 1158 CE LYS A 73 -8.209 -2.901 2.418 1.00 0.00 C ATOM 1159 NZ LYS A 73 -8.516 -4.038 3.332 1.00 0.00 N ATOM 0 H LYS A 73 -8.499 3.382 2.712 1.00 0.00 H new ATOM 0 HA LYS A 73 -5.944 2.010 2.258 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.685 0.536 4.013 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.373 0.715 3.576 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.066 -0.593 1.529 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -6.323 -0.582 1.714 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -6.349 -2.258 3.312 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -7.776 -1.619 4.104 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.136 -2.442 2.075 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -7.689 -3.268 1.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.102 -4.737 2.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.629 -4.486 3.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.031 -3.685 4.164 1.00 0.00 H new ATOM 1173 N TYR A 74 -6.779 1.857 -0.041 1.00 0.00 N ATOM 1174 CA TYR A 74 -7.275 1.745 -1.440 1.00 0.00 C ATOM 1175 C TYR A 74 -7.033 0.345 -2.004 1.00 0.00 C ATOM 1176 O TYR A 74 -6.035 -0.278 -1.712 1.00 0.00 O ATOM 1177 CB TYR A 74 -6.499 2.756 -2.306 1.00 0.00 C ATOM 1178 CG TYR A 74 -6.895 4.187 -1.922 1.00 0.00 C ATOM 1179 CD1 TYR A 74 -6.669 4.663 -0.644 1.00 0.00 C ATOM 1180 CD2 TYR A 74 -7.473 5.027 -2.853 1.00 0.00 C ATOM 1181 CE1 TYR A 74 -7.014 5.956 -0.306 1.00 0.00 C ATOM 1182 CE2 TYR A 74 -7.818 6.321 -2.512 1.00 0.00 C ATOM 1183 CZ TYR A 74 -7.591 6.795 -1.237 1.00 0.00 C ATOM 1184 OH TYR A 74 -7.932 8.089 -0.897 1.00 0.00 O ATOM 0 H TYR A 74 -5.775 2.006 0.055 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.347 1.944 -1.450 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.427 2.617 -2.169 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.711 2.582 -3.361 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.219 4.018 0.096 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -7.657 4.670 -3.856 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -6.831 6.314 0.696 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.269 6.967 -3.251 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.326 8.538 -1.674 1.00 0.00 H new ATOM 1194 N ILE A 75 -7.967 -0.116 -2.804 1.00 0.00 N ATOM 1195 CA ILE A 75 -7.832 -1.473 -3.413 1.00 0.00 C ATOM 1196 C ILE A 75 -7.983 -1.378 -4.923 1.00 0.00 C ATOM 1197 O ILE A 75 -8.977 -0.880 -5.409 1.00 0.00 O ATOM 1198 CB ILE A 75 -8.950 -2.364 -2.870 1.00 0.00 C ATOM 1199 CG1 ILE A 75 -8.869 -2.434 -1.354 1.00 0.00 C ATOM 1200 CG2 ILE A 75 -8.762 -3.781 -3.438 1.00 0.00 C ATOM 1201 CD1 ILE A 75 -10.072 -3.218 -0.826 1.00 0.00 C ATOM 0 H ILE A 75 -8.815 0.390 -3.059 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.853 -1.886 -3.168 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.917 -1.954 -3.161 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.941 -2.918 -1.049 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -8.859 -1.430 -0.931 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -9.551 -4.432 -3.061 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -8.809 -3.746 -4.526 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.792 -4.171 -3.129 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -10.022 -3.273 0.261 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -10.993 -2.715 -1.122 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -10.060 -4.226 -1.241 1.00 0.00 H new ATOM 1213 N LEU A 76 -6.994 -1.863 -5.642 1.00 0.00 N ATOM 1214 CA LEU A 76 -7.071 -1.804 -7.138 1.00 0.00 C ATOM 1215 C LEU A 76 -6.961 -3.186 -7.754 1.00 0.00 C ATOM 1216 O LEU A 76 -6.411 -4.082 -7.163 1.00 0.00 O ATOM 1217 CB LEU A 76 -5.890 -0.959 -7.664 1.00 0.00 C ATOM 1218 CG LEU A 76 -5.551 0.155 -6.669 1.00 0.00 C ATOM 1219 CD1 LEU A 76 -4.221 0.788 -7.067 1.00 0.00 C ATOM 1220 CD2 LEU A 76 -6.639 1.224 -6.716 1.00 0.00 C ATOM 0 H LEU A 76 -6.149 -2.291 -5.263 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.032 -1.368 -7.410 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.019 -1.595 -7.819 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.145 -0.527 -8.632 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.484 -0.260 -5.663 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.971 1.583 -6.364 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.438 0.030 -7.051 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.302 1.204 -8.071 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.400 2.018 -6.009 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.697 1.640 -7.722 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.598 0.779 -6.451 1.00 0.00 H new ATOM 1232 N TYR A 77 -7.501 -3.328 -8.938 1.00 0.00 N ATOM 1233 CA TYR A 77 -7.441 -4.645 -9.625 1.00 0.00 C ATOM 1234 C TYR A 77 -6.392 -4.579 -10.724 1.00 0.00 C ATOM 1235 O TYR A 77 -6.456 -3.720 -11.586 1.00 0.00 O ATOM 1236 CB TYR A 77 -8.815 -4.938 -10.243 1.00 0.00 C ATOM 1237 CG TYR A 77 -9.802 -5.271 -9.121 1.00 0.00 C ATOM 1238 CD1 TYR A 77 -10.347 -4.269 -8.342 1.00 0.00 C ATOM 1239 CD2 TYR A 77 -10.161 -6.580 -8.871 1.00 0.00 C ATOM 1240 CE1 TYR A 77 -11.233 -4.571 -7.329 1.00 0.00 C ATOM 1241 CE2 TYR A 77 -11.047 -6.883 -7.858 1.00 0.00 C ATOM 1242 CZ TYR A 77 -11.590 -5.881 -7.080 1.00 0.00 C ATOM 1243 OH TYR A 77 -12.478 -6.184 -6.068 1.00 0.00 O ATOM 0 H TYR A 77 -7.978 -2.589 -9.454 1.00 0.00 H new ATOM 0 HA TYR A 77 -7.179 -5.432 -8.918 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.165 -4.075 -10.810 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.744 -5.771 -10.942 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -10.077 -3.240 -8.528 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.745 -7.374 -9.474 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -11.650 -3.777 -6.727 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -11.318 -7.912 -7.672 1.00 0.00 H new ATOM 0 HH TYR A 77 -12.617 -7.154 -6.034 1.00 0.00 H new ATOM 1253 N SER A 78 -5.441 -5.488 -10.676 1.00 0.00 N ATOM 1254 CA SER A 78 -4.371 -5.485 -11.717 1.00 0.00 C ATOM 1255 C SER A 78 -4.461 -6.670 -12.669 1.00 0.00 C ATOM 1256 O SER A 78 -5.014 -7.712 -12.347 1.00 0.00 O ATOM 1257 CB SER A 78 -3.016 -5.543 -11.001 1.00 0.00 C ATOM 1258 OG SER A 78 -2.851 -6.915 -10.679 1.00 0.00 O ATOM 0 H SER A 78 -5.364 -6.220 -9.970 1.00 0.00 H new ATOM 0 HA SER A 78 -4.490 -4.580 -12.313 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.211 -5.185 -11.643 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.011 -4.921 -10.106 1.00 0.00 H new ATOM 0 HG SER A 78 -1.997 -7.042 -10.214 1.00 0.00 H new ATOM 1264 N HIS A 79 -3.896 -6.464 -13.834 1.00 0.00 N ATOM 1265 CA HIS A 79 -3.888 -7.512 -14.882 1.00 0.00 C ATOM 1266 C HIS A 79 -2.452 -7.711 -15.376 1.00 0.00 C ATOM 1267 O HIS A 79 -1.666 -6.784 -15.346 1.00 0.00 O ATOM 1268 CB HIS A 79 -4.756 -7.022 -16.056 1.00 0.00 C ATOM 1269 CG HIS A 79 -6.149 -6.656 -15.542 1.00 0.00 C ATOM 1270 ND1 HIS A 79 -7.135 -7.423 -15.536 1.00 0.00 N ATOM 1271 CD2 HIS A 79 -6.604 -5.469 -15.002 1.00 0.00 C ATOM 1272 CE1 HIS A 79 -8.163 -6.857 -15.055 1.00 0.00 C ATOM 1273 NE2 HIS A 79 -7.921 -5.598 -14.685 1.00 0.00 N ATOM 0 H HIS A 79 -3.433 -5.595 -14.100 1.00 0.00 H new ATOM 0 HA HIS A 79 -4.275 -8.451 -14.486 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.292 -6.156 -16.529 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -4.830 -7.799 -16.817 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -7.116 -8.385 -15.876 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -6.009 -4.580 -14.855 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -9.124 -7.339 -14.956 1.00 0.00 H new ATOM 1281 N ALA A 80 -2.133 -8.909 -15.819 1.00 0.00 N ATOM 1282 CA ALA A 80 -0.738 -9.166 -16.315 1.00 0.00 C ATOM 1283 C ALA A 80 -0.720 -9.735 -17.737 1.00 0.00 C ATOM 1284 O ALA A 80 -1.551 -10.548 -18.104 1.00 0.00 O ATOM 1285 CB ALA A 80 -0.078 -10.187 -15.375 1.00 0.00 C ATOM 0 H ALA A 80 -2.767 -9.707 -15.858 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.203 -8.216 -16.330 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.938 -10.391 -15.714 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.048 -9.784 -14.363 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.655 -11.112 -15.380 1.00 0.00 H new ATOM 1291 N VAL A 81 0.249 -9.291 -18.508 1.00 0.00 N ATOM 1292 CA VAL A 81 0.371 -9.773 -19.915 1.00 0.00 C ATOM 1293 C VAL A 81 1.811 -10.186 -20.205 1.00 0.00 C ATOM 1294 O VAL A 81 2.728 -9.513 -19.818 1.00 0.00 O ATOM 1295 CB VAL A 81 -0.006 -8.618 -20.855 1.00 0.00 C ATOM 1296 CG1 VAL A 81 -1.352 -8.923 -21.514 1.00 0.00 C ATOM 1297 CG2 VAL A 81 -0.125 -7.327 -20.041 1.00 0.00 C ATOM 0 H VAL A 81 0.957 -8.616 -18.219 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.286 -10.630 -20.065 1.00 0.00 H new ATOM 0 HB VAL A 81 0.760 -8.502 -21.622 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.624 -8.106 -22.182 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.276 -9.848 -22.085 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.117 -9.033 -20.745 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.392 -6.503 -20.703 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.896 -7.446 -19.280 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.829 -7.111 -19.560 1.00 0.00 H new ATOM 1307 N SER A 82 1.987 -11.278 -20.891 1.00 0.00 N ATOM 1308 CA SER A 82 3.379 -11.712 -21.192 1.00 0.00 C ATOM 1309 C SER A 82 3.968 -10.913 -22.347 1.00 0.00 C ATOM 1310 O SER A 82 3.384 -10.823 -23.408 1.00 0.00 O ATOM 1311 CB SER A 82 3.367 -13.194 -21.579 1.00 0.00 C ATOM 1312 OG SER A 82 2.421 -13.269 -22.637 1.00 0.00 O ATOM 0 H SER A 82 1.245 -11.879 -21.250 1.00 0.00 H new ATOM 0 HA SER A 82 3.989 -11.546 -20.304 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.353 -13.530 -21.901 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.075 -13.823 -20.738 1.00 0.00 H new ATOM 0 HG SER A 82 1.533 -13.458 -22.269 1.00 0.00 H new ATOM 1318 N SER A 83 5.123 -10.352 -22.117 1.00 0.00 N ATOM 1319 CA SER A 83 5.776 -9.552 -23.183 1.00 0.00 C ATOM 1320 C SER A 83 5.936 -10.360 -24.464 1.00 0.00 C ATOM 1321 O SER A 83 6.476 -9.877 -25.439 1.00 0.00 O ATOM 1322 CB SER A 83 7.170 -9.145 -22.690 1.00 0.00 C ATOM 1323 OG SER A 83 7.630 -8.228 -23.671 1.00 0.00 O ATOM 0 H SER A 83 5.639 -10.414 -21.239 1.00 0.00 H new ATOM 0 HA SER A 83 5.155 -8.682 -23.398 1.00 0.00 H new ATOM 0 HB2 SER A 83 7.125 -8.684 -21.703 1.00 0.00 H new ATOM 0 HB3 SER A 83 7.832 -10.007 -22.609 1.00 0.00 H new ATOM 0 HG SER A 83 6.987 -7.494 -23.760 1.00 0.00 H new ATOM 1329 N ASN A 84 5.470 -11.578 -24.445 1.00 0.00 N ATOM 1330 CA ASN A 84 5.597 -12.416 -25.663 1.00 0.00 C ATOM 1331 C ASN A 84 4.392 -12.228 -26.571 1.00 0.00 C ATOM 1332 O ASN A 84 4.505 -12.328 -27.777 1.00 0.00 O ATOM 1333 CB ASN A 84 5.681 -13.893 -25.239 1.00 0.00 C ATOM 1334 CG ASN A 84 4.278 -14.430 -24.942 1.00 0.00 C ATOM 1335 OD1 ASN A 84 3.434 -14.519 -25.814 1.00 0.00 O ATOM 1336 ND2 ASN A 84 3.991 -14.808 -23.729 1.00 0.00 N ATOM 0 H ASN A 84 5.013 -12.022 -23.649 1.00 0.00 H new ATOM 0 HA ASN A 84 6.494 -12.120 -26.207 1.00 0.00 H new ATOM 0 HB2 ASN A 84 6.145 -14.482 -26.030 1.00 0.00 H new ATOM 0 HB3 ASN A 84 6.312 -13.992 -24.356 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.064 -15.176 -23.515 1.00 0.00 H new ATOM 0 HD22 ASN A 84 4.693 -14.736 -22.993 1.00 0.00 H new ATOM 1343 N GLY A 85 3.259 -11.957 -25.970 1.00 0.00 N ATOM 1344 CA GLY A 85 2.017 -11.754 -26.778 1.00 0.00 C ATOM 1345 C GLY A 85 0.891 -12.660 -26.273 1.00 0.00 C ATOM 1346 O GLY A 85 0.022 -13.047 -27.031 1.00 0.00 O ATOM 0 H GLY A 85 3.141 -11.868 -24.961 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.705 -10.711 -26.720 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.220 -11.968 -27.827 1.00 0.00 H new ATOM 1350 N GLU A 86 0.934 -12.982 -24.998 1.00 0.00 N ATOM 1351 CA GLU A 86 -0.122 -13.860 -24.419 1.00 0.00 C ATOM 1352 C GLU A 86 -0.681 -13.250 -23.143 1.00 0.00 C ATOM 1353 O GLU A 86 0.057 -12.894 -22.245 1.00 0.00 O ATOM 1354 CB GLU A 86 0.502 -15.223 -24.084 1.00 0.00 C ATOM 1355 CG GLU A 86 0.769 -15.985 -25.383 1.00 0.00 C ATOM 1356 CD GLU A 86 -0.554 -16.510 -25.940 1.00 0.00 C ATOM 1357 OE1 GLU A 86 -1.041 -17.470 -25.364 1.00 0.00 O ATOM 1358 OE2 GLU A 86 -1.005 -15.923 -26.910 1.00 0.00 O ATOM 0 H GLU A 86 1.652 -12.674 -24.342 1.00 0.00 H new ATOM 0 HA GLU A 86 -0.930 -13.971 -25.142 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.431 -15.085 -23.531 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -0.168 -15.796 -23.443 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.249 -15.330 -26.110 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.454 -16.813 -25.199 1.00 0.00 H new ATOM 1365 N ALA A 87 -1.975 -13.136 -23.086 1.00 0.00 N ATOM 1366 CA ALA A 87 -2.599 -12.551 -21.879 1.00 0.00 C ATOM 1367 C ALA A 87 -2.476 -13.491 -20.684 1.00 0.00 C ATOM 1368 O ALA A 87 -3.072 -14.550 -20.663 1.00 0.00 O ATOM 1369 CB ALA A 87 -4.089 -12.315 -22.171 1.00 0.00 C ATOM 0 H ALA A 87 -2.622 -13.422 -23.821 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.091 -11.618 -21.637 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.568 -11.883 -21.292 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.191 -11.630 -23.013 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -4.567 -13.264 -22.415 1.00 0.00 H new ATOM 1375 N VAL A 88 -1.700 -13.077 -19.709 1.00 0.00 N ATOM 1376 CA VAL A 88 -1.511 -13.916 -18.493 1.00 0.00 C ATOM 1377 C VAL A 88 -2.048 -13.177 -17.289 1.00 0.00 C ATOM 1378 O VAL A 88 -1.573 -13.347 -16.185 1.00 0.00 O ATOM 1379 CB VAL A 88 -0.001 -14.158 -18.288 1.00 0.00 C ATOM 1380 CG1 VAL A 88 0.579 -14.832 -19.530 1.00 0.00 C ATOM 1381 CG2 VAL A 88 0.708 -12.817 -18.071 1.00 0.00 C ATOM 0 H VAL A 88 -1.191 -12.193 -19.708 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.036 -14.864 -18.613 1.00 0.00 H new ATOM 0 HB VAL A 88 0.146 -14.797 -17.418 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.646 -15.003 -19.386 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.077 -15.786 -19.694 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.428 -14.189 -20.397 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.775 -12.989 -17.926 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.558 -12.181 -18.943 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.296 -12.326 -17.189 1.00 0.00 H new ATOM 1391 N GLU A 89 -3.033 -12.364 -17.529 1.00 0.00 N ATOM 1392 CA GLU A 89 -3.624 -11.594 -16.422 1.00 0.00 C ATOM 1393 C GLU A 89 -4.596 -12.407 -15.600 1.00 0.00 C ATOM 1394 O GLU A 89 -5.288 -13.271 -16.100 1.00 0.00 O ATOM 1395 CB GLU A 89 -4.379 -10.398 -17.010 1.00 0.00 C ATOM 1396 CG GLU A 89 -5.393 -10.900 -18.041 1.00 0.00 C ATOM 1397 CD GLU A 89 -6.668 -11.346 -17.320 1.00 0.00 C ATOM 1398 OE1 GLU A 89 -7.141 -10.557 -16.520 1.00 0.00 O ATOM 1399 OE2 GLU A 89 -7.096 -12.451 -17.612 1.00 0.00 O ATOM 0 H GLU A 89 -3.450 -12.204 -18.446 1.00 0.00 H new ATOM 0 HA GLU A 89 -2.810 -11.283 -15.767 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.889 -9.850 -16.218 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.679 -9.705 -17.478 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -5.623 -10.110 -18.756 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -4.972 -11.731 -18.608 1.00 0.00 H new ATOM 1406 N ASP A 90 -4.623 -12.096 -14.341 1.00 0.00 N ATOM 1407 CA ASP A 90 -5.522 -12.799 -13.417 1.00 0.00 C ATOM 1408 C ASP A 90 -6.076 -11.783 -12.420 1.00 0.00 C ATOM 1409 O ASP A 90 -5.387 -10.861 -12.033 1.00 0.00 O ATOM 1410 CB ASP A 90 -4.713 -13.861 -12.655 1.00 0.00 C ATOM 1411 CG ASP A 90 -4.461 -15.061 -13.573 1.00 0.00 C ATOM 1412 OD1 ASP A 90 -5.381 -15.855 -13.693 1.00 0.00 O ATOM 1413 OD2 ASP A 90 -3.364 -15.118 -14.102 1.00 0.00 O ATOM 0 H ASP A 90 -4.048 -11.371 -13.913 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.337 -13.275 -13.962 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.765 -13.441 -12.319 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.255 -14.178 -11.764 1.00 0.00 H new ATOM 1418 N PRO A 91 -7.309 -11.959 -12.014 1.00 0.00 N ATOM 1419 CA PRO A 91 -7.917 -11.041 -11.067 1.00 0.00 C ATOM 1420 C PRO A 91 -7.045 -10.882 -9.818 1.00 0.00 C ATOM 1421 O PRO A 91 -7.184 -11.619 -8.859 1.00 0.00 O ATOM 1422 CB PRO A 91 -9.283 -11.684 -10.713 1.00 0.00 C ATOM 1423 CG PRO A 91 -9.408 -12.991 -11.556 1.00 0.00 C ATOM 1424 CD PRO A 91 -8.150 -13.084 -12.438 1.00 0.00 C ATOM 0 HA PRO A 91 -8.031 -10.040 -11.483 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -9.339 -11.906 -9.647 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -10.101 -11.000 -10.940 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -9.488 -13.862 -10.906 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -10.308 -12.968 -12.170 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -7.638 -14.036 -12.297 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -8.403 -13.012 -13.496 1.00 0.00 H new ATOM 1432 N MET A 92 -6.149 -9.917 -9.865 1.00 0.00 N ATOM 1433 CA MET A 92 -5.253 -9.682 -8.699 1.00 0.00 C ATOM 1434 C MET A 92 -5.640 -8.398 -7.987 1.00 0.00 C ATOM 1435 O MET A 92 -5.603 -7.335 -8.566 1.00 0.00 O ATOM 1436 CB MET A 92 -3.812 -9.548 -9.212 1.00 0.00 C ATOM 1437 CG MET A 92 -3.072 -10.863 -8.964 1.00 0.00 C ATOM 1438 SD MET A 92 -3.082 -11.516 -7.277 1.00 0.00 S ATOM 1439 CE MET A 92 -1.337 -11.991 -7.206 1.00 0.00 C ATOM 0 H MET A 92 -6.006 -9.291 -10.658 1.00 0.00 H new ATOM 0 HA MET A 92 -5.341 -10.515 -8.002 1.00 0.00 H new ATOM 0 HB2 MET A 92 -3.811 -9.310 -10.276 1.00 0.00 H new ATOM 0 HB3 MET A 92 -3.305 -8.729 -8.702 1.00 0.00 H new ATOM 0 HG2 MET A 92 -3.500 -11.620 -9.621 1.00 0.00 H new ATOM 0 HG3 MET A 92 -2.034 -10.728 -9.267 1.00 0.00 H new ATOM 0 HE1 MET A 92 -1.118 -12.426 -6.231 1.00 0.00 H new ATOM 0 HE2 MET A 92 -1.127 -12.723 -7.986 1.00 0.00 H new ATOM 0 HE3 MET A 92 -0.714 -11.110 -7.359 1.00 0.00 H new ATOM 1449 N GLU A 93 -6.003 -8.519 -6.743 1.00 0.00 N ATOM 1450 CA GLU A 93 -6.395 -7.310 -5.982 1.00 0.00 C ATOM 1451 C GLU A 93 -5.219 -6.729 -5.207 1.00 0.00 C ATOM 1452 O GLU A 93 -4.717 -7.336 -4.281 1.00 0.00 O ATOM 1453 CB GLU A 93 -7.494 -7.703 -4.989 1.00 0.00 C ATOM 1454 CG GLU A 93 -8.273 -8.897 -5.546 1.00 0.00 C ATOM 1455 CD GLU A 93 -9.610 -9.016 -4.810 1.00 0.00 C ATOM 1456 OE1 GLU A 93 -9.724 -8.367 -3.783 1.00 0.00 O ATOM 1457 OE2 GLU A 93 -10.442 -9.751 -5.318 1.00 0.00 O ATOM 0 H GLU A 93 -6.044 -9.397 -6.226 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.744 -6.554 -6.685 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.055 -7.958 -4.025 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.166 -6.862 -4.821 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.443 -8.768 -6.615 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.694 -9.813 -5.423 1.00 0.00 H new ATOM 1464 N ILE A 94 -4.806 -5.557 -5.602 1.00 0.00 N ATOM 1465 CA ILE A 94 -3.671 -4.905 -4.915 1.00 0.00 C ATOM 1466 C ILE A 94 -4.182 -4.066 -3.749 1.00 0.00 C ATOM 1467 O ILE A 94 -5.037 -3.208 -3.925 1.00 0.00 O ATOM 1468 CB ILE A 94 -2.970 -3.982 -5.921 1.00 0.00 C ATOM 1469 CG1 ILE A 94 -1.916 -4.760 -6.692 1.00 0.00 C ATOM 1470 CG2 ILE A 94 -2.273 -2.843 -5.155 1.00 0.00 C ATOM 1471 CD1 ILE A 94 -1.569 -3.996 -7.971 1.00 0.00 C ATOM 0 H ILE A 94 -5.210 -5.026 -6.373 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.983 -5.661 -4.537 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.710 -3.581 -6.614 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.024 -4.894 -6.080 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.287 -5.755 -6.937 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.772 -2.182 -5.862 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.014 -2.277 -4.592 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.538 -3.263 -4.468 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.813 -4.547 -8.530 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.464 -3.885 -8.583 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.182 -3.010 -7.712 1.00 0.00 H new ATOM 1483 N VAL A 95 -3.648 -4.327 -2.579 1.00 0.00 N ATOM 1484 CA VAL A 95 -4.084 -3.562 -1.384 1.00 0.00 C ATOM 1485 C VAL A 95 -3.079 -2.476 -1.032 1.00 0.00 C ATOM 1486 O VAL A 95 -1.905 -2.746 -0.865 1.00 0.00 O ATOM 1487 CB VAL A 95 -4.184 -4.536 -0.200 1.00 0.00 C ATOM 1488 CG1 VAL A 95 -4.289 -3.735 1.099 1.00 0.00 C ATOM 1489 CG2 VAL A 95 -5.438 -5.400 -0.362 1.00 0.00 C ATOM 0 H VAL A 95 -2.933 -5.034 -2.408 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.044 -3.092 -1.597 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.300 -5.174 -0.171 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.360 -4.420 1.944 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.404 -3.109 1.213 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -5.178 -3.105 1.067 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -5.513 -6.093 0.476 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.320 -4.760 -0.384 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -5.374 -5.963 -1.293 1.00 0.00 H new ATOM 1499 N ILE A 96 -3.567 -1.265 -0.926 1.00 0.00 N ATOM 1500 CA ILE A 96 -2.675 -0.126 -0.585 1.00 0.00 C ATOM 1501 C ILE A 96 -3.183 0.582 0.661 1.00 0.00 C ATOM 1502 O ILE A 96 -4.232 1.192 0.647 1.00 0.00 O ATOM 1503 CB ILE A 96 -2.684 0.865 -1.753 1.00 0.00 C ATOM 1504 CG1 ILE A 96 -2.079 0.214 -2.988 1.00 0.00 C ATOM 1505 CG2 ILE A 96 -1.825 2.081 -1.370 1.00 0.00 C ATOM 1506 CD1 ILE A 96 -2.839 0.693 -4.227 1.00 0.00 C ATOM 0 H ILE A 96 -4.548 -1.020 -1.062 1.00 0.00 H new ATOM 0 HA ILE A 96 -1.667 -0.497 -0.400 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.709 1.167 -1.966 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.023 0.472 -3.071 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.136 -0.872 -2.908 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.821 2.797 -2.192 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.240 2.553 -0.479 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -0.805 1.756 -1.167 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.412 0.231 -5.117 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.889 0.412 -4.141 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.759 1.777 -4.307 1.00 0.00 H new ATOM 1518 N THR A 97 -2.429 0.489 1.722 1.00 0.00 N ATOM 1519 CA THR A 97 -2.858 1.152 2.976 1.00 0.00 C ATOM 1520 C THR A 97 -2.340 2.579 3.041 1.00 0.00 C ATOM 1521 O THR A 97 -1.260 2.873 2.566 1.00 0.00 O ATOM 1522 CB THR A 97 -2.286 0.363 4.157 1.00 0.00 C ATOM 1523 OG1 THR A 97 -3.012 0.803 5.287 1.00 0.00 O ATOM 1524 CG2 THR A 97 -0.835 0.781 4.443 1.00 0.00 C ATOM 0 H THR A 97 -1.543 -0.014 1.771 1.00 0.00 H new ATOM 0 HA THR A 97 -3.947 1.178 3.011 1.00 0.00 H new ATOM 0 HB THR A 97 -2.341 -0.705 3.949 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.693 0.331 6.085 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.450 0.207 5.286 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.221 0.589 3.563 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.803 1.844 4.683 1.00 0.00 H new ATOM 1532 N VAL A 98 -3.124 3.442 3.629 1.00 0.00 N ATOM 1533 CA VAL A 98 -2.702 4.859 3.738 1.00 0.00 C ATOM 1534 C VAL A 98 -2.120 5.165 5.113 1.00 0.00 C ATOM 1535 O VAL A 98 -2.598 4.673 6.116 1.00 0.00 O ATOM 1536 CB VAL A 98 -3.941 5.734 3.519 1.00 0.00 C ATOM 1537 CG1 VAL A 98 -3.510 7.196 3.416 1.00 0.00 C ATOM 1538 CG2 VAL A 98 -4.626 5.312 2.215 1.00 0.00 C ATOM 0 H VAL A 98 -4.034 3.224 4.036 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.931 5.059 2.994 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.633 5.615 4.353 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.387 7.824 3.260 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.010 7.494 4.338 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.825 7.315 2.577 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.509 5.930 2.051 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -3.934 5.440 1.383 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -4.923 4.265 2.282 1.00 0.00 H new ATOM 1548 N THR A 99 -1.089 5.978 5.124 1.00 0.00 N ATOM 1549 CA THR A 99 -0.440 6.346 6.414 1.00 0.00 C ATOM 1550 C THR A 99 -0.746 7.796 6.770 1.00 0.00 C ATOM 1551 O THR A 99 -0.524 8.692 5.980 1.00 0.00 O ATOM 1552 CB THR A 99 1.075 6.185 6.253 1.00 0.00 C ATOM 1553 OG1 THR A 99 1.342 6.475 4.896 1.00 0.00 O ATOM 1554 CG2 THR A 99 1.488 4.716 6.424 1.00 0.00 C ATOM 0 H THR A 99 -0.673 6.400 4.294 1.00 0.00 H new ATOM 0 HA THR A 99 -0.819 5.701 7.207 1.00 0.00 H new ATOM 0 HB THR A 99 1.592 6.814 6.977 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.304 6.391 4.726 1.00 0.00 H new ATOM 0 HG21 THR A 99 2.568 4.625 6.306 1.00 0.00 H new ATOM 0 HG22 THR A 99 1.202 4.371 7.417 1.00 0.00 H new ATOM 0 HG23 THR A 99 0.988 4.107 5.670 1.00 0.00 H new