USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 505 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 18 THR OG1 : rot 70:sc= -1.85 USER MOD Set 1.2: A 21 MET CE :methyl -102:sc= -2.07 (180deg=-3.74!) USER MOD Single : A 2 GLN : amide:sc= -0.762 K(o=-0.76,f=-0.15) USER MOD Single : A 4 SER OG : rot -90:sc= -0.194 USER MOD Single : A 9 GLN : amide:sc= -4.02! C(o=-4!,f=-4.7!) USER MOD Single : A 14 ASN : amide:sc= -0.494 X(o=-0.49,f=-0.62) USER MOD Single : A 15 THR OG1 : rot -60:sc= -1.78 USER MOD Single : A 22 MET CE :methyl -159:sc= -3.39 (180deg=-3.96!) USER MOD Single : A 23 THR OG1 : rot -116:sc= 0.359! USER MOD Single : A 24 THR OG1 : rot 158:sc= 0.841 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.154 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -126:sc= -5.38! (180deg=-11.8!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -4.71! C(o=-4.7!,f=-4.9!) USER MOD Single : A 47 GLN : amide:sc= -2.29! K(o=-2.3!,f=-1.1) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 96:sc= 0.336 USER MOD Single : A 54 THR OG1 : rot 159:sc= -5.03! USER MOD Single : A 56 MET CE :methyl -167:sc= -4.19! (180deg=-4.74!) USER MOD Single : A 59 MET CE :methyl 177:sc= -4.97 (180deg=-5.23) USER MOD Single : A 61 LYS NZ :NH3+ -149:sc= -2.46! (180deg=-4.17!) USER MOD Single : A 63 TYR OH : rot 120:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 32 N GLN A 2 -1.349 -0.994 -5.226 1.00 32.43 N ATOM 33 CA GLN A 2 -1.931 -0.221 -6.309 1.00 53.14 C ATOM 34 C GLN A 2 -3.410 -0.574 -6.478 1.00 54.34 C ATOM 35 O GLN A 2 -3.744 -1.683 -6.891 1.00 73.23 O ATOM 36 CB GLN A 2 -1.163 -0.440 -7.614 1.00 23.30 C ATOM 37 CG GLN A 2 -1.946 0.104 -8.810 1.00 74.32 C ATOM 38 CD GLN A 2 -2.125 1.620 -8.705 1.00 63.32 C ATOM 39 OE1 GLN A 2 -1.175 2.386 -8.731 1.00 34.43 O ATOM 40 NE2 GLN A 2 -3.391 2.009 -8.586 1.00 70.51 N ATOM 0 HA GLN A 2 -1.856 0.836 -6.055 1.00 53.14 H new ATOM 0 HB2 GLN A 2 -0.193 0.053 -7.556 1.00 23.30 H new ATOM 0 HB3 GLN A 2 -0.972 -1.504 -7.753 1.00 23.30 H new ATOM 0 HG2 GLN A 2 -1.422 -0.141 -9.734 1.00 74.32 H new ATOM 0 HG3 GLN A 2 -2.922 -0.378 -8.860 1.00 74.32 H new ATOM 0 HE21 GLN A 2 -4.138 1.315 -8.571 1.00 70.51 H new ATOM 0 HE22 GLN A 2 -3.615 3.001 -8.510 1.00 70.51 H new ATOM 49 N GLU A 3 -4.257 0.391 -6.151 1.00 12.13 N ATOM 50 CA GLU A 3 -5.693 0.196 -6.261 1.00 41.31 C ATOM 51 C GLU A 3 -6.180 0.611 -7.651 1.00 44.11 C ATOM 52 O GLU A 3 -6.017 1.763 -8.051 1.00 71.23 O ATOM 53 CB GLU A 3 -6.436 0.966 -5.168 1.00 34.24 C ATOM 54 CG GLU A 3 -6.946 0.018 -4.080 1.00 4.23 C ATOM 55 CD GLU A 3 -8.088 0.657 -3.287 1.00 61.21 C ATOM 56 OE1 GLU A 3 -8.332 1.866 -3.416 1.00 24.24 O ATOM 57 OE2 GLU A 3 -8.734 -0.150 -2.516 1.00 33.41 O ATOM 0 H GLU A 3 -3.976 1.310 -5.810 1.00 12.13 H new ATOM 0 HA GLU A 3 -5.908 -0.864 -6.123 1.00 41.31 H new ATOM 0 HB2 GLU A 3 -5.772 1.709 -4.726 1.00 34.24 H new ATOM 0 HB3 GLU A 3 -7.274 1.508 -5.606 1.00 34.24 H new ATOM 0 HG2 GLU A 3 -7.289 -0.911 -4.534 1.00 4.23 H new ATOM 0 HG3 GLU A 3 -6.130 -0.240 -3.405 1.00 4.23 H new ATOM 65 N SER A 4 -6.767 -0.350 -8.349 1.00 23.02 N ATOM 66 CA SER A 4 -7.278 -0.099 -9.686 1.00 11.15 C ATOM 67 C SER A 4 -8.802 0.027 -9.647 1.00 54.25 C ATOM 68 O SER A 4 -9.459 -0.587 -8.808 1.00 60.11 O ATOM 69 CB SER A 4 -6.861 -1.209 -10.652 1.00 73.21 C ATOM 70 OG SER A 4 -5.465 -1.486 -10.577 1.00 75.21 O ATOM 0 H SER A 4 -6.900 -1.304 -8.014 1.00 23.02 H new ATOM 0 HA SER A 4 -6.851 0.837 -10.046 1.00 11.15 H new ATOM 0 HB2 SER A 4 -7.423 -2.115 -10.427 1.00 73.21 H new ATOM 0 HB3 SER A 4 -7.119 -0.919 -11.671 1.00 73.21 H new ATOM 0 HG SER A 4 -4.984 -0.920 -11.217 1.00 75.21 H new ATOM 76 N VAL A 5 -9.321 0.828 -10.567 1.00 30.20 N ATOM 77 CA VAL A 5 -10.756 1.042 -10.649 1.00 42.42 C ATOM 78 C VAL A 5 -11.454 -0.297 -10.893 1.00 53.22 C ATOM 79 O VAL A 5 -10.993 -1.104 -11.699 1.00 10.22 O ATOM 80 CB VAL A 5 -11.068 2.084 -11.725 1.00 52.42 C ATOM 81 CG1 VAL A 5 -12.577 2.214 -11.941 1.00 73.23 C ATOM 82 CG2 VAL A 5 -10.446 3.438 -11.375 1.00 33.33 C ATOM 0 H VAL A 5 -8.773 1.336 -11.261 1.00 30.20 H new ATOM 0 HA VAL A 5 -11.138 1.440 -9.709 1.00 42.42 H new ATOM 0 HB VAL A 5 -10.623 1.743 -12.660 1.00 52.42 H new ATOM 0 HG11 VAL A 5 -12.771 2.961 -12.711 1.00 73.23 H new ATOM 0 HG12 VAL A 5 -12.983 1.253 -12.257 1.00 73.23 H new ATOM 0 HG13 VAL A 5 -13.053 2.521 -11.009 1.00 73.23 H new ATOM 0 HG21 VAL A 5 -10.683 4.160 -12.156 1.00 33.33 H new ATOM 0 HG22 VAL A 5 -10.847 3.788 -10.424 1.00 33.33 H new ATOM 0 HG23 VAL A 5 -9.364 3.332 -11.295 1.00 33.33 H new ATOM 92 N VAL A 6 -12.555 -0.492 -10.183 1.00 14.43 N ATOM 93 CA VAL A 6 -13.322 -1.719 -10.312 1.00 31.10 C ATOM 94 C VAL A 6 -14.810 -1.377 -10.418 1.00 63.40 C ATOM 95 O VAL A 6 -15.349 -0.668 -9.570 1.00 73.03 O ATOM 96 CB VAL A 6 -13.006 -2.659 -9.146 1.00 52.44 C ATOM 97 CG1 VAL A 6 -13.746 -3.989 -9.299 1.00 14.05 C ATOM 98 CG2 VAL A 6 -11.498 -2.882 -9.015 1.00 52.25 C ATOM 0 H VAL A 6 -12.935 0.180 -9.516 1.00 14.43 H new ATOM 0 HA VAL A 6 -13.045 -2.249 -11.223 1.00 31.10 H new ATOM 0 HB VAL A 6 -13.355 -2.185 -8.229 1.00 52.44 H new ATOM 0 HG11 VAL A 6 -13.504 -4.639 -8.458 1.00 14.05 H new ATOM 0 HG12 VAL A 6 -14.821 -3.807 -9.320 1.00 14.05 H new ATOM 0 HG13 VAL A 6 -13.441 -4.470 -10.228 1.00 14.05 H new ATOM 0 HG21 VAL A 6 -11.301 -3.553 -8.179 1.00 52.25 H new ATOM 0 HG22 VAL A 6 -11.114 -3.325 -9.934 1.00 52.25 H new ATOM 0 HG23 VAL A 6 -11.003 -1.927 -8.838 1.00 52.25 H new ATOM 108 N ALA A 7 -15.430 -1.898 -11.466 1.00 54.04 N ATOM 109 CA ALA A 7 -16.845 -1.657 -11.694 1.00 51.13 C ATOM 110 C ALA A 7 -17.615 -1.900 -10.395 1.00 12.33 C ATOM 111 O ALA A 7 -17.788 -3.043 -9.975 1.00 64.14 O ATOM 112 CB ALA A 7 -17.337 -2.546 -12.838 1.00 62.02 C ATOM 0 H ALA A 7 -14.979 -2.486 -12.167 1.00 54.04 H new ATOM 0 HA ALA A 7 -17.015 -0.622 -11.989 1.00 51.13 H new ATOM 0 HB1 ALA A 7 -18.398 -2.365 -13.009 1.00 62.02 H new ATOM 0 HB2 ALA A 7 -16.779 -2.314 -13.745 1.00 62.02 H new ATOM 0 HB3 ALA A 7 -17.185 -3.593 -12.576 1.00 62.02 H new ATOM 118 N ALA A 8 -18.058 -0.805 -9.793 1.00 62.23 N ATOM 119 CA ALA A 8 -18.806 -0.885 -8.550 1.00 5.30 C ATOM 120 C ALA A 8 -20.117 -1.633 -8.796 1.00 14.42 C ATOM 121 O ALA A 8 -20.683 -2.221 -7.875 1.00 42.42 O ATOM 122 CB ALA A 8 -19.032 0.525 -7.999 1.00 72.44 C ATOM 0 H ALA A 8 -17.913 0.142 -10.143 1.00 62.23 H new ATOM 0 HA ALA A 8 -18.246 -1.442 -7.799 1.00 5.30 H new ATOM 0 HB1 ALA A 8 -19.593 0.466 -7.066 1.00 72.44 H new ATOM 0 HB2 ALA A 8 -18.070 1.002 -7.814 1.00 72.44 H new ATOM 0 HB3 ALA A 8 -19.595 1.113 -8.724 1.00 72.44 H new ATOM 128 N GLN A 9 -20.563 -1.586 -10.043 1.00 14.15 N ATOM 129 CA GLN A 9 -21.798 -2.252 -10.421 1.00 52.21 C ATOM 130 C GLN A 9 -21.795 -2.564 -11.919 1.00 32.22 C ATOM 131 O GLN A 9 -20.867 -2.188 -12.633 1.00 54.42 O ATOM 132 CB GLN A 9 -23.016 -1.407 -10.040 1.00 23.55 C ATOM 133 CG GLN A 9 -22.703 0.086 -10.149 1.00 52.33 C ATOM 134 CD GLN A 9 -23.914 0.931 -9.747 1.00 20.32 C ATOM 135 OE1 GLN A 9 -24.049 1.370 -8.617 1.00 22.04 O ATOM 136 NE2 GLN A 9 -24.784 1.132 -10.732 1.00 14.41 N ATOM 0 H GLN A 9 -20.091 -1.097 -10.804 1.00 14.15 H new ATOM 0 HA GLN A 9 -21.863 -3.192 -9.873 1.00 52.21 H new ATOM 0 HB2 GLN A 9 -23.854 -1.655 -10.692 1.00 23.55 H new ATOM 0 HB3 GLN A 9 -23.324 -1.644 -9.022 1.00 23.55 H new ATOM 0 HG2 GLN A 9 -21.855 0.331 -9.509 1.00 52.33 H new ATOM 0 HG3 GLN A 9 -22.411 0.326 -11.171 1.00 52.33 H new ATOM 0 HE21 GLN A 9 -24.610 0.735 -11.655 1.00 14.41 H new ATOM 0 HE22 GLN A 9 -25.626 1.683 -10.564 1.00 14.41 H new ATOM 145 N LEU A 10 -22.844 -3.249 -12.350 1.00 61.50 N ATOM 146 CA LEU A 10 -22.974 -3.617 -13.750 1.00 1.31 C ATOM 147 C LEU A 10 -22.936 -2.352 -14.610 1.00 63.01 C ATOM 148 O LEU A 10 -23.846 -1.527 -14.548 1.00 71.22 O ATOM 149 CB LEU A 10 -24.225 -4.470 -13.966 1.00 53.00 C ATOM 150 CG LEU A 10 -24.562 -4.810 -15.419 1.00 72.52 C ATOM 151 CD1 LEU A 10 -23.872 -6.105 -15.853 1.00 42.11 C ATOM 152 CD2 LEU A 10 -26.076 -4.869 -15.632 1.00 33.44 C ATOM 0 H LEU A 10 -23.612 -3.559 -11.754 1.00 61.50 H new ATOM 0 HA LEU A 10 -22.135 -4.240 -14.060 1.00 1.31 H new ATOM 0 HB2 LEU A 10 -24.105 -5.402 -13.414 1.00 53.00 H new ATOM 0 HB3 LEU A 10 -25.076 -3.948 -13.529 1.00 53.00 H new ATOM 0 HG LEU A 10 -24.178 -4.011 -16.054 1.00 72.52 H new ATOM 0 HD11 LEU A 10 -24.128 -6.324 -16.890 1.00 42.11 H new ATOM 0 HD12 LEU A 10 -22.792 -5.990 -15.763 1.00 42.11 H new ATOM 0 HD13 LEU A 10 -24.204 -6.925 -15.216 1.00 42.11 H new ATOM 0 HD21 LEU A 10 -26.288 -5.112 -16.673 1.00 33.44 H new ATOM 0 HD22 LEU A 10 -26.505 -5.635 -14.986 1.00 33.44 H new ATOM 0 HD23 LEU A 10 -26.516 -3.902 -15.389 1.00 33.44 H new ATOM 164 N ILE A 11 -21.873 -2.239 -15.393 1.00 23.12 N ATOM 165 CA ILE A 11 -21.704 -1.089 -16.264 1.00 41.15 C ATOM 166 C ILE A 11 -21.802 -1.541 -17.723 1.00 0.11 C ATOM 167 O ILE A 11 -20.894 -2.192 -18.237 1.00 60.01 O ATOM 168 CB ILE A 11 -20.404 -0.353 -15.935 1.00 4.02 C ATOM 169 CG1 ILE A 11 -20.413 0.158 -14.493 1.00 13.04 C ATOM 170 CG2 ILE A 11 -20.140 0.771 -16.939 1.00 63.43 C ATOM 171 CD1 ILE A 11 -19.024 0.044 -13.861 1.00 52.54 C ATOM 0 H ILE A 11 -21.120 -2.925 -15.442 1.00 23.12 H new ATOM 0 HA ILE A 11 -22.503 -0.366 -16.099 1.00 41.15 H new ATOM 0 HB ILE A 11 -19.580 -1.061 -16.021 1.00 4.02 H new ATOM 0 HG12 ILE A 11 -20.741 1.197 -14.474 1.00 13.04 H new ATOM 0 HG13 ILE A 11 -21.132 -0.414 -13.906 1.00 13.04 H new ATOM 0 HG21 ILE A 11 -19.210 1.278 -16.682 1.00 63.43 H new ATOM 0 HG22 ILE A 11 -20.059 0.352 -17.942 1.00 63.43 H new ATOM 0 HG23 ILE A 11 -20.963 1.486 -16.910 1.00 63.43 H new ATOM 0 HD11 ILE A 11 -19.059 0.414 -12.836 1.00 52.54 H new ATOM 0 HD12 ILE A 11 -18.710 -1.000 -13.859 1.00 52.54 H new ATOM 0 HD13 ILE A 11 -18.313 0.636 -14.437 1.00 52.54 H new ATOM 183 N PRO A 12 -22.941 -1.168 -18.365 1.00 14.12 N ATOM 184 CA PRO A 12 -23.170 -1.528 -19.754 1.00 0.12 C ATOM 185 C PRO A 12 -22.319 -0.667 -20.690 1.00 74.44 C ATOM 186 O PRO A 12 -21.697 0.300 -20.256 1.00 1.31 O ATOM 187 CB PRO A 12 -24.663 -1.341 -19.968 1.00 71.40 C ATOM 188 CG PRO A 12 -25.138 -0.445 -18.836 1.00 21.23 C ATOM 189 CD PRO A 12 -24.038 -0.396 -17.788 1.00 33.54 C ATOM 0 HA PRO A 12 -22.875 -2.553 -19.977 1.00 0.12 H new ATOM 0 HB2 PRO A 12 -24.864 -0.885 -20.937 1.00 71.40 H new ATOM 0 HB3 PRO A 12 -25.183 -2.299 -19.952 1.00 71.40 H new ATOM 0 HG2 PRO A 12 -25.356 0.556 -19.207 1.00 21.23 H new ATOM 0 HG3 PRO A 12 -26.060 -0.833 -18.404 1.00 21.23 H new ATOM 0 HD2 PRO A 12 -23.734 0.630 -17.581 1.00 33.54 H new ATOM 0 HD3 PRO A 12 -24.371 -0.827 -16.844 1.00 33.54 H new ATOM 197 N ILE A 13 -22.321 -1.051 -21.959 1.00 25.15 N ATOM 198 CA ILE A 13 -21.557 -0.327 -22.960 1.00 41.33 C ATOM 199 C ILE A 13 -22.238 1.013 -23.244 1.00 54.42 C ATOM 200 O ILE A 13 -23.462 1.082 -23.347 1.00 12.12 O ATOM 201 CB ILE A 13 -21.354 -1.190 -24.207 1.00 52.12 C ATOM 202 CG1 ILE A 13 -20.466 -0.477 -25.229 1.00 21.21 C ATOM 203 CG2 ILE A 13 -22.697 -1.608 -24.808 1.00 74.55 C ATOM 204 CD1 ILE A 13 -19.725 -1.486 -26.110 1.00 13.44 C ATOM 0 H ILE A 13 -22.839 -1.854 -22.316 1.00 25.15 H new ATOM 0 HA ILE A 13 -20.557 -0.105 -22.588 1.00 41.33 H new ATOM 0 HB ILE A 13 -20.835 -2.102 -23.911 1.00 52.12 H new ATOM 0 HG12 ILE A 13 -21.076 0.177 -25.853 1.00 21.21 H new ATOM 0 HG13 ILE A 13 -19.746 0.157 -24.711 1.00 21.21 H new ATOM 0 HG21 ILE A 13 -22.525 -2.220 -25.693 1.00 74.55 H new ATOM 0 HG22 ILE A 13 -23.261 -2.182 -24.073 1.00 74.55 H new ATOM 0 HG23 ILE A 13 -23.263 -0.719 -25.086 1.00 74.55 H new ATOM 0 HD11 ILE A 13 -19.101 -0.953 -26.828 1.00 13.44 H new ATOM 0 HD12 ILE A 13 -19.098 -2.122 -25.486 1.00 13.44 H new ATOM 0 HD13 ILE A 13 -20.448 -2.102 -26.645 1.00 13.44 H new ATOM 216 N ASN A 14 -21.416 2.046 -23.363 1.00 72.51 N ATOM 217 CA ASN A 14 -21.924 3.380 -23.633 1.00 73.21 C ATOM 218 C ASN A 14 -22.661 3.900 -22.397 1.00 40.12 C ATOM 219 O ASN A 14 -23.657 4.612 -22.518 1.00 5.54 O ATOM 220 CB ASN A 14 -22.912 3.367 -24.802 1.00 2.14 C ATOM 221 CG ASN A 14 -22.352 2.573 -25.984 1.00 11.51 C ATOM 222 OD1 ASN A 14 -21.236 2.781 -26.431 1.00 71.43 O ATOM 223 ND2 ASN A 14 -23.187 1.656 -26.463 1.00 70.03 N ATOM 0 H ASN A 14 -20.401 1.985 -23.277 1.00 72.51 H new ATOM 0 HA ASN A 14 -21.077 4.019 -23.883 1.00 73.21 H new ATOM 0 HB2 ASN A 14 -23.857 2.929 -24.480 1.00 2.14 H new ATOM 0 HB3 ASN A 14 -23.125 4.389 -25.114 1.00 2.14 H new ATOM 0 HD21 ASN A 14 -22.907 1.074 -27.253 1.00 70.03 H new ATOM 0 HD22 ASN A 14 -24.108 1.534 -26.041 1.00 70.03 H new ATOM 230 N THR A 15 -22.143 3.524 -21.237 1.00 52.01 N ATOM 231 CA THR A 15 -22.739 3.944 -19.980 1.00 74.22 C ATOM 232 C THR A 15 -21.844 4.969 -19.281 1.00 61.42 C ATOM 233 O THR A 15 -20.732 4.646 -18.865 1.00 34.50 O ATOM 234 CB THR A 15 -23.001 2.692 -19.140 1.00 13.31 C ATOM 235 OG1 THR A 15 -23.782 1.859 -19.992 1.00 54.21 O ATOM 236 CG2 THR A 15 -23.918 2.969 -17.947 1.00 55.40 C ATOM 0 H THR A 15 -21.317 2.933 -21.141 1.00 52.01 H new ATOM 0 HA THR A 15 -23.691 4.449 -20.143 1.00 74.22 H new ATOM 0 HB THR A 15 -22.053 2.289 -18.783 1.00 13.31 H new ATOM 0 HG1 THR A 15 -24.613 2.321 -20.230 1.00 54.21 H new ATOM 0 HG21 THR A 15 -24.072 2.048 -17.385 1.00 55.40 H new ATOM 0 HG22 THR A 15 -23.458 3.717 -17.301 1.00 55.40 H new ATOM 0 HG23 THR A 15 -24.878 3.340 -18.305 1.00 55.40 H new ATOM 244 N ALA A 16 -22.361 6.183 -19.174 1.00 14.51 N ATOM 245 CA ALA A 16 -21.623 7.258 -18.533 1.00 24.35 C ATOM 246 C ALA A 16 -21.207 6.817 -17.127 1.00 52.15 C ATOM 247 O ALA A 16 -22.048 6.694 -16.238 1.00 24.02 O ATOM 248 CB ALA A 16 -22.477 8.527 -18.517 1.00 31.22 C ATOM 0 H ALA A 16 -23.283 6.447 -19.521 1.00 14.51 H new ATOM 0 HA ALA A 16 -20.714 7.485 -19.091 1.00 24.35 H new ATOM 0 HB1 ALA A 16 -21.922 9.333 -18.036 1.00 31.22 H new ATOM 0 HB2 ALA A 16 -22.721 8.814 -19.540 1.00 31.22 H new ATOM 0 HB3 ALA A 16 -23.397 8.339 -17.964 1.00 31.22 H new ATOM 254 N LEU A 17 -19.911 6.592 -16.972 1.00 21.33 N ATOM 255 CA LEU A 17 -19.374 6.167 -15.690 1.00 2.30 C ATOM 256 C LEU A 17 -19.747 7.195 -14.620 1.00 12.20 C ATOM 257 O LEU A 17 -19.874 8.383 -14.913 1.00 5.25 O ATOM 258 CB LEU A 17 -17.869 5.911 -15.798 1.00 33.00 C ATOM 259 CG LEU A 17 -17.449 4.756 -16.710 1.00 14.41 C ATOM 260 CD1 LEU A 17 -15.942 4.785 -16.972 1.00 34.32 C ATOM 261 CD2 LEU A 17 -17.907 3.413 -16.139 1.00 62.41 C ATOM 0 H LEU A 17 -19.217 6.696 -17.712 1.00 21.33 H new ATOM 0 HA LEU A 17 -19.815 5.217 -15.388 1.00 2.30 H new ATOM 0 HB2 LEU A 17 -17.390 6.823 -16.155 1.00 33.00 H new ATOM 0 HB3 LEU A 17 -17.481 5.718 -14.798 1.00 33.00 H new ATOM 0 HG LEU A 17 -17.945 4.882 -17.672 1.00 14.41 H new ATOM 0 HD11 LEU A 17 -15.670 3.954 -17.623 1.00 34.32 H new ATOM 0 HD12 LEU A 17 -15.674 5.726 -17.454 1.00 34.32 H new ATOM 0 HD13 LEU A 17 -15.407 4.696 -16.027 1.00 34.32 H new ATOM 0 HD21 LEU A 17 -17.596 2.609 -16.806 1.00 62.41 H new ATOM 0 HD22 LEU A 17 -17.459 3.263 -15.157 1.00 62.41 H new ATOM 0 HD23 LEU A 17 -18.993 3.408 -16.047 1.00 62.41 H new ATOM 273 N THR A 18 -19.913 6.700 -13.402 1.00 55.52 N ATOM 274 CA THR A 18 -20.270 7.561 -12.287 1.00 0.10 C ATOM 275 C THR A 18 -19.574 7.092 -11.008 1.00 32.13 C ATOM 276 O THR A 18 -19.109 5.956 -10.931 1.00 32.24 O ATOM 277 CB THR A 18 -21.796 7.583 -12.176 1.00 3.22 C ATOM 278 OG1 THR A 18 -22.166 6.208 -12.212 1.00 75.22 O ATOM 279 CG2 THR A 18 -22.465 8.182 -13.415 1.00 5.33 C ATOM 0 H THR A 18 -19.807 5.714 -13.163 1.00 55.52 H new ATOM 0 HA THR A 18 -19.927 8.583 -12.450 1.00 0.10 H new ATOM 0 HB THR A 18 -22.088 8.154 -11.295 1.00 3.22 H new ATOM 0 HG1 THR A 18 -21.883 5.771 -11.382 1.00 75.22 H new ATOM 0 HG21 THR A 18 -23.547 8.174 -13.284 1.00 5.33 H new ATOM 0 HG22 THR A 18 -22.124 9.208 -13.552 1.00 5.33 H new ATOM 0 HG23 THR A 18 -22.201 7.591 -14.292 1.00 5.33 H new ATOM 287 N LEU A 19 -19.525 7.991 -10.035 1.00 62.45 N ATOM 288 CA LEU A 19 -18.894 7.683 -8.763 1.00 64.13 C ATOM 289 C LEU A 19 -19.706 6.605 -8.043 1.00 71.24 C ATOM 290 O LEU A 19 -19.253 6.042 -7.048 1.00 11.32 O ATOM 291 CB LEU A 19 -18.698 8.958 -7.940 1.00 63.33 C ATOM 292 CG LEU A 19 -17.720 8.856 -6.768 1.00 63.41 C ATOM 293 CD1 LEU A 19 -16.421 8.170 -7.196 1.00 22.20 C ATOM 294 CD2 LEU A 19 -17.464 10.230 -6.146 1.00 32.22 C ATOM 0 H LEU A 19 -19.912 8.932 -10.102 1.00 62.45 H new ATOM 0 HA LEU A 19 -17.895 7.277 -8.922 1.00 64.13 H new ATOM 0 HB2 LEU A 19 -18.353 9.748 -8.607 1.00 63.33 H new ATOM 0 HB3 LEU A 19 -19.668 9.269 -7.552 1.00 63.33 H new ATOM 0 HG LEU A 19 -18.175 8.233 -5.997 1.00 63.41 H new ATOM 0 HD11 LEU A 19 -15.743 8.110 -6.344 1.00 22.20 H new ATOM 0 HD12 LEU A 19 -16.642 7.165 -7.555 1.00 22.20 H new ATOM 0 HD13 LEU A 19 -15.951 8.745 -7.994 1.00 22.20 H new ATOM 0 HD21 LEU A 19 -16.766 10.129 -5.315 1.00 32.22 H new ATOM 0 HD22 LEU A 19 -17.040 10.896 -6.897 1.00 32.22 H new ATOM 0 HD23 LEU A 19 -18.404 10.645 -5.781 1.00 32.22 H new ATOM 306 N VAL A 20 -20.892 6.349 -8.575 1.00 55.20 N ATOM 307 CA VAL A 20 -21.772 5.349 -7.996 1.00 34.54 C ATOM 308 C VAL A 20 -21.688 4.062 -8.820 1.00 5.41 C ATOM 309 O VAL A 20 -22.366 3.082 -8.518 1.00 63.41 O ATOM 310 CB VAL A 20 -23.196 5.900 -7.893 1.00 21.12 C ATOM 311 CG1 VAL A 20 -23.185 7.372 -7.478 1.00 2.52 C ATOM 312 CG2 VAL A 20 -23.955 5.706 -9.207 1.00 11.11 C ATOM 0 H VAL A 20 -21.264 6.817 -9.401 1.00 55.20 H new ATOM 0 HA VAL A 20 -21.457 5.107 -6.981 1.00 34.54 H new ATOM 0 HB VAL A 20 -23.718 5.338 -7.119 1.00 21.12 H new ATOM 0 HG11 VAL A 20 -24.209 7.739 -7.412 1.00 2.52 H new ATOM 0 HG12 VAL A 20 -22.700 7.473 -6.507 1.00 2.52 H new ATOM 0 HG13 VAL A 20 -22.638 7.955 -8.219 1.00 2.52 H new ATOM 0 HG21 VAL A 20 -24.964 6.106 -9.107 1.00 11.11 H new ATOM 0 HG22 VAL A 20 -23.435 6.230 -10.009 1.00 11.11 H new ATOM 0 HG23 VAL A 20 -24.008 4.643 -9.443 1.00 11.11 H new ATOM 322 N MET A 21 -20.849 4.108 -9.845 1.00 1.44 N ATOM 323 CA MET A 21 -20.667 2.959 -10.715 1.00 24.04 C ATOM 324 C MET A 21 -19.190 2.571 -10.808 1.00 65.12 C ATOM 325 O MET A 21 -18.811 1.750 -11.643 1.00 13.22 O ATOM 326 CB MET A 21 -21.198 3.286 -12.111 1.00 51.54 C ATOM 327 CG MET A 21 -22.728 3.283 -12.131 1.00 30.24 C ATOM 328 SD MET A 21 -23.317 2.881 -13.767 1.00 30.31 S ATOM 329 CE MET A 21 -22.615 4.237 -14.691 1.00 52.10 C ATOM 0 H MET A 21 -20.288 4.923 -10.092 1.00 1.44 H new ATOM 0 HA MET A 21 -21.219 2.118 -10.295 1.00 24.04 H new ATOM 0 HB2 MET A 21 -20.829 4.262 -12.425 1.00 51.54 H new ATOM 0 HB3 MET A 21 -20.820 2.557 -12.828 1.00 51.54 H new ATOM 0 HG2 MET A 21 -23.108 2.558 -11.411 1.00 30.24 H new ATOM 0 HG3 MET A 21 -23.106 4.260 -11.830 1.00 30.24 H new ATOM 0 HE1 MET A 21 -23.388 4.978 -14.893 1.00 52.10 H new ATOM 0 HE2 MET A 21 -21.814 4.696 -14.111 1.00 52.10 H new ATOM 0 HE3 MET A 21 -22.213 3.866 -15.634 1.00 52.10 H new ATOM 339 N MET A 22 -18.395 3.179 -9.940 1.00 43.32 N ATOM 340 CA MET A 22 -16.967 2.908 -9.914 1.00 75.35 C ATOM 341 C MET A 22 -16.453 2.816 -8.477 1.00 5.54 C ATOM 342 O MET A 22 -17.073 3.347 -7.556 1.00 42.25 O ATOM 343 CB MET A 22 -16.222 4.021 -10.654 1.00 75.31 C ATOM 344 CG MET A 22 -16.587 4.031 -12.140 1.00 14.31 C ATOM 345 SD MET A 22 -15.539 5.178 -13.018 1.00 2.20 S ATOM 346 CE MET A 22 -16.333 6.717 -12.586 1.00 4.43 C ATOM 0 H MET A 22 -18.712 3.859 -9.249 1.00 43.32 H new ATOM 0 HA MET A 22 -16.789 1.951 -10.405 1.00 75.35 H new ATOM 0 HB2 MET A 22 -16.467 4.986 -10.209 1.00 75.31 H new ATOM 0 HB3 MET A 22 -15.147 3.882 -10.541 1.00 75.31 H new ATOM 0 HG2 MET A 22 -16.475 3.030 -12.557 1.00 14.31 H new ATOM 0 HG3 MET A 22 -17.633 4.313 -12.264 1.00 14.31 H new ATOM 0 HE1 MET A 22 -16.064 7.482 -13.314 1.00 4.43 H new ATOM 0 HE2 MET A 22 -17.414 6.581 -12.585 1.00 4.43 H new ATOM 0 HE3 MET A 22 -16.006 7.029 -11.594 1.00 4.43 H new ATOM 356 N THR A 23 -15.323 2.140 -8.328 1.00 73.41 N ATOM 357 CA THR A 23 -14.718 1.972 -7.018 1.00 1.01 C ATOM 358 C THR A 23 -13.248 1.571 -7.157 1.00 30.10 C ATOM 359 O THR A 23 -12.687 1.624 -8.250 1.00 51.04 O ATOM 360 CB THR A 23 -15.554 0.956 -6.237 1.00 62.23 C ATOM 361 OG1 THR A 23 -14.925 0.896 -4.960 1.00 44.52 O ATOM 362 CG2 THR A 23 -15.413 -0.465 -6.788 1.00 53.33 C ATOM 0 H THR A 23 -14.811 1.702 -9.094 1.00 73.41 H new ATOM 0 HA THR A 23 -14.716 2.909 -6.461 1.00 1.01 H new ATOM 0 HB THR A 23 -16.602 1.254 -6.262 1.00 62.23 H new ATOM 0 HG1 THR A 23 -14.564 -0.004 -4.815 1.00 44.52 H new ATOM 0 HG21 THR A 23 -16.026 -1.146 -6.198 1.00 53.33 H new ATOM 0 HG22 THR A 23 -15.743 -0.487 -7.827 1.00 53.33 H new ATOM 0 HG23 THR A 23 -14.370 -0.775 -6.732 1.00 53.33 H new ATOM 370 N THR A 24 -12.666 1.178 -6.033 1.00 51.43 N ATOM 371 CA THR A 24 -11.272 0.768 -6.016 1.00 12.41 C ATOM 372 C THR A 24 -11.134 -0.627 -5.405 1.00 34.33 C ATOM 373 O THR A 24 -11.954 -1.032 -4.582 1.00 74.31 O ATOM 374 CB THR A 24 -10.474 1.840 -5.271 1.00 25.32 C ATOM 375 OG1 THR A 24 -10.850 1.668 -3.907 1.00 73.03 O ATOM 376 CG2 THR A 24 -10.938 3.258 -5.610 1.00 24.23 C ATOM 0 H THR A 24 -13.134 1.135 -5.128 1.00 51.43 H new ATOM 0 HA THR A 24 -10.871 0.687 -7.026 1.00 12.41 H new ATOM 0 HB THR A 24 -9.416 1.737 -5.513 1.00 25.32 H new ATOM 0 HG1 THR A 24 -10.154 2.041 -3.326 1.00 73.03 H new ATOM 0 HG21 THR A 24 -10.339 3.979 -5.054 1.00 24.23 H new ATOM 0 HG22 THR A 24 -10.819 3.434 -6.679 1.00 24.23 H new ATOM 0 HG23 THR A 24 -11.987 3.372 -5.338 1.00 24.23 H new ATOM 384 N ARG A 25 -10.091 -1.324 -5.830 1.00 73.43 N ATOM 385 CA ARG A 25 -9.835 -2.666 -5.335 1.00 74.31 C ATOM 386 C ARG A 25 -8.649 -3.288 -6.075 1.00 1.24 C ATOM 387 O ARG A 25 -8.759 -3.639 -7.248 1.00 53.33 O ATOM 388 CB ARG A 25 -11.063 -3.562 -5.512 1.00 13.24 C ATOM 389 CG ARG A 25 -11.274 -4.452 -4.285 1.00 2.42 C ATOM 390 CD ARG A 25 -10.602 -5.814 -4.474 1.00 15.54 C ATOM 391 NE ARG A 25 -11.247 -6.821 -3.602 1.00 54.20 N ATOM 392 CZ ARG A 25 -10.630 -7.930 -3.142 1.00 13.10 C ATOM 393 NH1 ARG A 25 -9.345 -8.184 -3.467 1.00 41.43 N ATOM 394 NH2 ARG A 25 -11.303 -8.763 -2.369 1.00 43.43 N ATOM 0 H ARG A 25 -9.413 -0.985 -6.512 1.00 73.43 H new ATOM 0 HA ARG A 25 -9.605 -2.589 -4.272 1.00 74.31 H new ATOM 0 HB2 ARG A 25 -11.947 -2.945 -5.675 1.00 13.24 H new ATOM 0 HB3 ARG A 25 -10.940 -4.183 -6.399 1.00 13.24 H new ATOM 0 HG2 ARG A 25 -10.867 -3.961 -3.401 1.00 2.42 H new ATOM 0 HG3 ARG A 25 -12.341 -4.590 -4.110 1.00 2.42 H new ATOM 0 HD2 ARG A 25 -10.675 -6.123 -5.517 1.00 15.54 H new ATOM 0 HD3 ARG A 25 -9.541 -5.741 -4.237 1.00 15.54 H new ATOM 0 HE ARG A 25 -12.218 -6.667 -3.332 1.00 54.20 H new ATOM 0 HH11 ARG A 25 -8.832 -7.536 -4.065 1.00 41.43 H new ATOM 0 HH12 ARG A 25 -8.886 -9.024 -3.115 1.00 41.43 H new ATOM 0 HH21 ARG A 25 -12.274 -8.564 -2.128 1.00 43.43 H new ATOM 0 HH22 ARG A 25 -10.852 -9.606 -2.013 1.00 43.43 H new ATOM 407 N VAL A 26 -7.541 -3.405 -5.357 1.00 52.13 N ATOM 408 CA VAL A 26 -6.335 -3.978 -5.931 1.00 13.02 C ATOM 409 C VAL A 26 -6.657 -5.356 -6.512 1.00 32.34 C ATOM 410 O VAL A 26 -6.793 -6.329 -5.772 1.00 31.44 O ATOM 411 CB VAL A 26 -5.223 -4.017 -4.880 1.00 55.44 C ATOM 412 CG1 VAL A 26 -5.760 -4.500 -3.532 1.00 31.23 C ATOM 413 CG2 VAL A 26 -4.056 -4.887 -5.350 1.00 2.41 C ATOM 0 H VAL A 26 -7.453 -3.113 -4.384 1.00 52.13 H new ATOM 0 HA VAL A 26 -5.969 -3.358 -6.749 1.00 13.02 H new ATOM 0 HB VAL A 26 -4.851 -3.001 -4.747 1.00 55.44 H new ATOM 0 HG11 VAL A 26 -4.950 -4.518 -2.803 1.00 31.23 H new ATOM 0 HG12 VAL A 26 -6.542 -3.823 -3.188 1.00 31.23 H new ATOM 0 HG13 VAL A 26 -6.171 -5.503 -3.643 1.00 31.23 H new ATOM 0 HG21 VAL A 26 -3.279 -4.898 -4.585 1.00 2.41 H new ATOM 0 HG22 VAL A 26 -4.408 -5.904 -5.525 1.00 2.41 H new ATOM 0 HG23 VAL A 26 -3.648 -4.480 -6.275 1.00 2.41 H new ATOM 423 N VAL A 27 -6.770 -5.396 -7.831 1.00 41.51 N ATOM 424 CA VAL A 27 -7.073 -6.639 -8.520 1.00 13.42 C ATOM 425 C VAL A 27 -5.935 -6.973 -9.486 1.00 3.54 C ATOM 426 O VAL A 27 -5.056 -6.145 -9.725 1.00 73.42 O ATOM 427 CB VAL A 27 -8.434 -6.535 -9.212 1.00 44.44 C ATOM 428 CG1 VAL A 27 -9.538 -6.210 -8.205 1.00 34.21 C ATOM 429 CG2 VAL A 27 -8.398 -5.500 -10.339 1.00 4.11 C ATOM 0 H VAL A 27 -6.657 -4.587 -8.442 1.00 41.51 H new ATOM 0 HA VAL A 27 -7.147 -7.462 -7.809 1.00 13.42 H new ATOM 0 HB VAL A 27 -8.660 -7.505 -9.655 1.00 44.44 H new ATOM 0 HG11 VAL A 27 -10.495 -6.142 -8.723 1.00 34.21 H new ATOM 0 HG12 VAL A 27 -9.588 -6.998 -7.453 1.00 34.21 H new ATOM 0 HG13 VAL A 27 -9.319 -5.259 -7.720 1.00 34.21 H new ATOM 0 HG21 VAL A 27 -9.377 -5.446 -10.814 1.00 4.11 H new ATOM 0 HG22 VAL A 27 -8.139 -4.524 -9.929 1.00 4.11 H new ATOM 0 HG23 VAL A 27 -7.652 -5.792 -11.078 1.00 4.11 H new ATOM 439 N SER A 28 -5.987 -8.186 -10.014 1.00 63.33 N ATOM 440 CA SER A 28 -4.971 -8.640 -10.949 1.00 4.23 C ATOM 441 C SER A 28 -5.631 -9.308 -12.157 1.00 11.45 C ATOM 442 O SER A 28 -6.463 -10.200 -11.999 1.00 64.13 O ATOM 443 CB SER A 28 -3.995 -9.607 -10.275 1.00 32.00 C ATOM 444 OG SER A 28 -2.701 -9.562 -10.871 1.00 14.33 O ATOM 0 H SER A 28 -6.717 -8.869 -9.813 1.00 63.33 H new ATOM 0 HA SER A 28 -4.405 -7.772 -11.287 1.00 4.23 H new ATOM 0 HB2 SER A 28 -3.915 -9.362 -9.216 1.00 32.00 H new ATOM 0 HB3 SER A 28 -4.388 -10.622 -10.338 1.00 32.00 H new ATOM 0 HG SER A 28 -2.107 -10.192 -10.412 1.00 14.33 H new ATOM 450 N PRO A 29 -5.225 -8.837 -13.366 1.00 74.24 N ATOM 451 CA PRO A 29 -4.236 -7.778 -13.464 1.00 2.20 C ATOM 452 C PRO A 29 -4.846 -6.422 -13.103 1.00 34.12 C ATOM 453 O PRO A 29 -6.067 -6.268 -13.100 1.00 43.22 O ATOM 454 CB PRO A 29 -3.733 -7.840 -14.897 1.00 1.00 C ATOM 455 CG PRO A 29 -4.783 -8.617 -15.674 1.00 31.21 C ATOM 456 CD PRO A 29 -5.696 -9.300 -14.669 1.00 13.44 C ATOM 0 HA PRO A 29 -3.413 -7.906 -12.761 1.00 2.20 H new ATOM 0 HB2 PRO A 29 -3.603 -6.839 -15.309 1.00 1.00 H new ATOM 0 HB3 PRO A 29 -2.763 -8.334 -14.949 1.00 1.00 H new ATOM 0 HG2 PRO A 29 -5.355 -7.948 -16.316 1.00 31.21 H new ATOM 0 HG3 PRO A 29 -4.310 -9.354 -16.323 1.00 31.21 H new ATOM 0 HD2 PRO A 29 -6.739 -9.028 -14.833 1.00 13.44 H new ATOM 0 HD3 PRO A 29 -5.633 -10.385 -14.750 1.00 13.44 H new ATOM 464 N THR A 30 -3.969 -5.474 -12.807 1.00 34.13 N ATOM 465 CA THR A 30 -4.407 -4.137 -12.445 1.00 42.50 C ATOM 466 C THR A 30 -4.756 -3.332 -13.699 1.00 22.31 C ATOM 467 O THR A 30 -4.158 -3.532 -14.755 1.00 43.40 O ATOM 468 CB THR A 30 -3.308 -3.493 -11.597 1.00 31.13 C ATOM 469 OG1 THR A 30 -2.097 -3.960 -12.185 1.00 31.44 O ATOM 470 CG2 THR A 30 -3.269 -4.048 -10.171 1.00 45.52 C ATOM 0 H THR A 30 -2.958 -5.605 -12.811 1.00 34.13 H new ATOM 0 HA THR A 30 -5.321 -4.168 -11.851 1.00 42.50 H new ATOM 0 HB THR A 30 -3.461 -2.414 -11.563 1.00 31.13 H new ATOM 0 HG1 THR A 30 -1.332 -3.589 -11.697 1.00 31.44 H new ATOM 0 HG21 THR A 30 -2.472 -3.558 -9.612 1.00 45.52 H new ATOM 0 HG22 THR A 30 -4.225 -3.860 -9.681 1.00 45.52 H new ATOM 0 HG23 THR A 30 -3.083 -5.121 -10.203 1.00 45.52 H new ATOM 478 N GLY A 31 -5.723 -2.440 -13.541 1.00 23.52 N ATOM 479 CA GLY A 31 -6.159 -1.605 -14.647 1.00 63.20 C ATOM 480 C GLY A 31 -6.076 -0.122 -14.280 1.00 63.12 C ATOM 481 O GLY A 31 -5.183 0.289 -13.540 1.00 72.03 O ATOM 0 H GLY A 31 -6.217 -2.277 -12.663 1.00 23.52 H new ATOM 0 HA2 GLY A 31 -5.540 -1.802 -15.522 1.00 63.20 H new ATOM 0 HA3 GLY A 31 -7.184 -1.860 -14.918 1.00 63.20 H new ATOM 485 N ILE A 32 -7.018 0.640 -14.815 1.00 12.44 N ATOM 486 CA ILE A 32 -7.063 2.069 -14.553 1.00 21.02 C ATOM 487 C ILE A 32 -6.803 2.319 -13.066 1.00 23.11 C ATOM 488 O ILE A 32 -7.308 1.591 -12.213 1.00 1.23 O ATOM 489 CB ILE A 32 -8.379 2.665 -15.055 1.00 75.14 C ATOM 490 CG1 ILE A 32 -8.444 2.642 -16.584 1.00 24.41 C ATOM 491 CG2 ILE A 32 -8.594 4.072 -14.494 1.00 31.10 C ATOM 492 CD1 ILE A 32 -9.883 2.808 -17.075 1.00 12.02 C ATOM 0 H ILE A 32 -7.756 0.295 -15.429 1.00 12.44 H new ATOM 0 HA ILE A 32 -6.276 2.582 -15.106 1.00 21.02 H new ATOM 0 HB ILE A 32 -9.196 2.044 -14.688 1.00 75.14 H new ATOM 0 HG12 ILE A 32 -7.823 3.441 -16.990 1.00 24.41 H new ATOM 0 HG13 ILE A 32 -8.036 1.702 -16.955 1.00 24.41 H new ATOM 0 HG21 ILE A 32 -9.537 4.472 -14.867 1.00 31.10 H new ATOM 0 HG22 ILE A 32 -8.623 4.029 -13.405 1.00 31.10 H new ATOM 0 HG23 ILE A 32 -7.775 4.719 -14.810 1.00 31.10 H new ATOM 0 HD11 ILE A 32 -9.900 2.788 -18.165 1.00 12.02 H new ATOM 0 HD12 ILE A 32 -10.496 1.994 -16.687 1.00 12.02 H new ATOM 0 HD13 ILE A 32 -10.280 3.760 -16.723 1.00 12.02 H new ATOM 504 N PRO A 33 -5.994 3.378 -12.794 1.00 61.11 N ATOM 505 CA PRO A 33 -5.660 3.733 -11.425 1.00 74.02 C ATOM 506 C PRO A 33 -6.842 4.413 -10.732 1.00 14.43 C ATOM 507 O PRO A 33 -7.599 5.148 -11.365 1.00 34.31 O ATOM 508 CB PRO A 33 -4.440 4.632 -11.538 1.00 51.10 C ATOM 509 CG PRO A 33 -4.415 5.123 -12.977 1.00 34.54 C ATOM 510 CD PRO A 33 -5.378 4.262 -13.779 1.00 44.10 C ATOM 0 HA PRO A 33 -5.441 2.863 -10.806 1.00 74.02 H new ATOM 0 HB2 PRO A 33 -4.505 5.468 -10.841 1.00 51.10 H new ATOM 0 HB3 PRO A 33 -3.528 4.085 -11.296 1.00 51.10 H new ATOM 0 HG2 PRO A 33 -4.707 6.172 -13.028 1.00 34.54 H new ATOM 0 HG3 PRO A 33 -3.408 5.053 -13.387 1.00 34.54 H new ATOM 0 HD2 PRO A 33 -6.126 4.872 -14.286 1.00 44.10 H new ATOM 0 HD3 PRO A 33 -4.855 3.694 -14.548 1.00 44.10 H new ATOM 518 N ALA A 34 -6.964 4.145 -9.440 1.00 3.31 N ATOM 519 CA ALA A 34 -8.041 4.723 -8.654 1.00 25.44 C ATOM 520 C ALA A 34 -7.942 6.249 -8.704 1.00 63.42 C ATOM 521 O ALA A 34 -8.898 6.947 -8.373 1.00 54.54 O ATOM 522 CB ALA A 34 -7.976 4.181 -7.224 1.00 1.30 C ATOM 0 H ALA A 34 -6.335 3.535 -8.918 1.00 3.31 H new ATOM 0 HA ALA A 34 -9.010 4.442 -9.066 1.00 25.44 H new ATOM 0 HB1 ALA A 34 -8.784 4.614 -6.634 1.00 1.30 H new ATOM 0 HB2 ALA A 34 -8.080 3.096 -7.241 1.00 1.30 H new ATOM 0 HB3 ALA A 34 -7.018 4.446 -6.778 1.00 1.30 H new ATOM 528 N GLU A 35 -6.776 6.721 -9.121 1.00 31.40 N ATOM 529 CA GLU A 35 -6.540 8.151 -9.219 1.00 62.02 C ATOM 530 C GLU A 35 -7.240 8.721 -10.455 1.00 24.13 C ATOM 531 O GLU A 35 -7.170 9.922 -10.713 1.00 73.52 O ATOM 532 CB GLU A 35 -5.041 8.459 -9.247 1.00 74.41 C ATOM 533 CG GLU A 35 -4.256 7.435 -8.425 1.00 70.30 C ATOM 534 CD GLU A 35 -3.129 8.110 -7.640 1.00 74.31 C ATOM 535 OE1 GLU A 35 -3.396 8.822 -6.661 1.00 55.21 O ATOM 536 OE2 GLU A 35 -1.940 7.871 -8.079 1.00 51.34 O ATOM 0 H GLU A 35 -5.985 6.138 -9.395 1.00 31.40 H new ATOM 0 HA GLU A 35 -6.959 8.630 -8.334 1.00 62.02 H new ATOM 0 HB2 GLU A 35 -4.684 8.454 -10.277 1.00 74.41 H new ATOM 0 HB3 GLU A 35 -4.864 9.460 -8.853 1.00 74.41 H new ATOM 0 HG2 GLU A 35 -4.928 6.924 -7.736 1.00 70.30 H new ATOM 0 HG3 GLU A 35 -3.839 6.675 -9.086 1.00 70.30 H new ATOM 544 N ASP A 36 -7.898 7.833 -11.185 1.00 63.21 N ATOM 545 CA ASP A 36 -8.609 8.232 -12.387 1.00 54.52 C ATOM 546 C ASP A 36 -10.116 8.137 -12.138 1.00 50.11 C ATOM 547 O ASP A 36 -10.914 8.352 -13.049 1.00 72.40 O ATOM 548 CB ASP A 36 -8.265 7.314 -13.562 1.00 15.42 C ATOM 549 CG ASP A 36 -6.812 7.386 -14.034 1.00 61.50 C ATOM 550 OD1 ASP A 36 -5.945 7.949 -13.349 1.00 62.45 O ATOM 551 OD2 ASP A 36 -6.580 6.824 -15.172 1.00 54.22 O ATOM 0 H ASP A 36 -7.954 6.838 -10.967 1.00 63.21 H new ATOM 0 HA ASP A 36 -8.314 9.253 -12.629 1.00 54.52 H new ATOM 0 HB2 ASP A 36 -8.488 6.286 -13.278 1.00 15.42 H new ATOM 0 HB3 ASP A 36 -8.916 7.562 -14.400 1.00 15.42 H new ATOM 557 N ILE A 37 -10.459 7.815 -10.900 1.00 15.23 N ATOM 558 CA ILE A 37 -11.856 7.689 -10.519 1.00 71.22 C ATOM 559 C ILE A 37 -12.610 8.953 -10.937 1.00 33.21 C ATOM 560 O ILE A 37 -13.660 8.872 -11.573 1.00 63.04 O ATOM 561 CB ILE A 37 -11.978 7.364 -9.029 1.00 52.01 C ATOM 562 CG1 ILE A 37 -12.085 5.854 -8.804 1.00 1.41 C ATOM 563 CG2 ILE A 37 -13.147 8.122 -8.397 1.00 33.13 C ATOM 564 CD1 ILE A 37 -12.716 5.546 -7.445 1.00 3.05 C ATOM 0 H ILE A 37 -9.794 7.637 -10.147 1.00 15.23 H new ATOM 0 HA ILE A 37 -12.320 6.853 -11.043 1.00 71.22 H new ATOM 0 HB ILE A 37 -11.069 7.700 -8.530 1.00 52.01 H new ATOM 0 HG12 ILE A 37 -12.684 5.406 -9.597 1.00 1.41 H new ATOM 0 HG13 ILE A 37 -11.094 5.403 -8.860 1.00 1.41 H new ATOM 0 HG21 ILE A 37 -13.212 7.873 -7.338 1.00 33.13 H new ATOM 0 HG22 ILE A 37 -12.988 9.195 -8.509 1.00 33.13 H new ATOM 0 HG23 ILE A 37 -14.075 7.839 -8.894 1.00 33.13 H new ATOM 0 HD11 ILE A 37 -12.780 4.466 -7.310 1.00 3.05 H new ATOM 0 HD12 ILE A 37 -12.102 5.975 -6.653 1.00 3.05 H new ATOM 0 HD13 ILE A 37 -13.716 5.977 -7.402 1.00 3.05 H new ATOM 576 N PRO A 38 -12.031 10.121 -10.552 1.00 11.41 N ATOM 577 CA PRO A 38 -12.637 11.401 -10.880 1.00 30.34 C ATOM 578 C PRO A 38 -12.429 11.744 -12.356 1.00 61.10 C ATOM 579 O PRO A 38 -12.898 12.778 -12.829 1.00 31.02 O ATOM 580 CB PRO A 38 -11.981 12.399 -9.939 1.00 73.05 C ATOM 581 CG PRO A 38 -10.708 11.732 -9.446 1.00 22.04 C ATOM 582 CD PRO A 38 -10.788 10.255 -9.797 1.00 55.41 C ATOM 0 HA PRO A 38 -13.719 11.401 -10.748 1.00 30.34 H new ATOM 0 HB2 PRO A 38 -11.758 13.333 -10.454 1.00 73.05 H new ATOM 0 HB3 PRO A 38 -12.641 12.644 -9.107 1.00 73.05 H new ATOM 0 HG2 PRO A 38 -9.834 12.188 -9.911 1.00 22.04 H new ATOM 0 HG3 PRO A 38 -10.601 11.863 -8.369 1.00 22.04 H new ATOM 0 HD2 PRO A 38 -9.929 9.942 -10.390 1.00 55.41 H new ATOM 0 HD3 PRO A 38 -10.800 9.635 -8.901 1.00 55.41 H new ATOM 590 N ARG A 39 -11.725 10.856 -13.043 1.00 51.43 N ATOM 591 CA ARG A 39 -11.449 11.052 -14.456 1.00 53.34 C ATOM 592 C ARG A 39 -12.452 10.269 -15.306 1.00 64.15 C ATOM 593 O ARG A 39 -12.934 10.769 -16.321 1.00 73.34 O ATOM 594 CB ARG A 39 -10.030 10.601 -14.808 1.00 53.13 C ATOM 595 CG ARG A 39 -8.999 11.283 -13.907 1.00 41.22 C ATOM 596 CD ARG A 39 -7.576 10.878 -14.298 1.00 51.33 C ATOM 597 NE ARG A 39 -7.229 11.458 -15.615 1.00 2.00 N ATOM 598 CZ ARG A 39 -6.333 10.917 -16.468 1.00 33.32 C ATOM 599 NH1 ARG A 39 -5.686 9.776 -16.148 1.00 61.14 N ATOM 600 NH2 ARG A 39 -6.100 11.520 -17.619 1.00 20.43 N ATOM 0 H ARG A 39 -11.338 9.999 -12.647 1.00 51.43 H new ATOM 0 HA ARG A 39 -11.542 12.117 -14.668 1.00 53.34 H new ATOM 0 HB2 ARG A 39 -9.952 9.519 -14.702 1.00 53.13 H new ATOM 0 HB3 ARG A 39 -9.818 10.835 -15.851 1.00 53.13 H new ATOM 0 HG2 ARG A 39 -9.106 12.365 -13.980 1.00 41.22 H new ATOM 0 HG3 ARG A 39 -9.185 11.014 -12.867 1.00 41.22 H new ATOM 0 HD2 ARG A 39 -6.870 11.223 -13.542 1.00 51.33 H new ATOM 0 HD3 ARG A 39 -7.496 9.792 -14.337 1.00 51.33 H new ATOM 0 HE ARG A 39 -7.696 12.320 -15.896 1.00 2.00 H new ATOM 0 HH11 ARG A 39 -5.873 9.317 -15.257 1.00 61.14 H new ATOM 0 HH12 ARG A 39 -5.011 9.373 -16.798 1.00 61.14 H new ATOM 0 HH21 ARG A 39 -6.594 12.381 -17.853 1.00 20.43 H new ATOM 0 HH22 ARG A 39 -5.426 11.125 -18.275 1.00 20.43 H new ATOM 613 N LEU A 40 -12.735 9.054 -14.861 1.00 21.14 N ATOM 614 CA LEU A 40 -13.671 8.197 -15.568 1.00 31.43 C ATOM 615 C LEU A 40 -15.080 8.783 -15.453 1.00 24.33 C ATOM 616 O LEU A 40 -15.917 8.571 -16.328 1.00 53.22 O ATOM 617 CB LEU A 40 -13.562 6.755 -15.066 1.00 1.31 C ATOM 618 CG LEU A 40 -12.335 5.972 -15.537 1.00 4.33 C ATOM 619 CD1 LEU A 40 -12.279 5.907 -17.064 1.00 61.12 C ATOM 620 CD2 LEU A 40 -11.051 6.554 -14.941 1.00 12.23 C ATOM 0 H LEU A 40 -12.332 8.642 -14.019 1.00 21.14 H new ATOM 0 HA LEU A 40 -13.426 8.160 -16.630 1.00 31.43 H new ATOM 0 HB2 LEU A 40 -13.563 6.770 -13.976 1.00 1.31 H new ATOM 0 HB3 LEU A 40 -14.455 6.214 -15.378 1.00 1.31 H new ATOM 0 HG LEU A 40 -12.424 4.948 -15.174 1.00 4.33 H new ATOM 0 HD11 LEU A 40 -11.397 5.345 -17.372 1.00 61.12 H new ATOM 0 HD12 LEU A 40 -13.174 5.412 -17.440 1.00 61.12 H new ATOM 0 HD13 LEU A 40 -12.225 6.917 -17.469 1.00 61.12 H new ATOM 0 HD21 LEU A 40 -10.194 5.979 -15.292 1.00 12.23 H new ATOM 0 HD22 LEU A 40 -10.943 7.593 -15.253 1.00 12.23 H new ATOM 0 HD23 LEU A 40 -11.100 6.505 -13.853 1.00 12.23 H new ATOM 632 N ILE A 41 -15.297 9.508 -14.365 1.00 72.05 N ATOM 633 CA ILE A 41 -16.590 10.126 -14.125 1.00 1.33 C ATOM 634 C ILE A 41 -16.979 10.974 -15.337 1.00 44.33 C ATOM 635 O ILE A 41 -16.184 11.784 -15.813 1.00 74.04 O ATOM 636 CB ILE A 41 -16.574 10.906 -12.808 1.00 41.24 C ATOM 637 CG1 ILE A 41 -16.269 9.982 -11.627 1.00 54.34 C ATOM 638 CG2 ILE A 41 -17.881 11.676 -12.612 1.00 13.34 C ATOM 639 CD1 ILE A 41 -17.548 9.623 -10.868 1.00 54.14 C ATOM 0 H ILE A 41 -14.600 9.681 -13.641 1.00 72.05 H new ATOM 0 HA ILE A 41 -17.361 9.364 -14.009 1.00 1.33 H new ATOM 0 HB ILE A 41 -15.771 11.642 -12.856 1.00 41.24 H new ATOM 0 HG12 ILE A 41 -15.788 9.073 -11.987 1.00 54.34 H new ATOM 0 HG13 ILE A 41 -15.566 10.469 -10.952 1.00 54.34 H new ATOM 0 HG21 ILE A 41 -17.844 12.222 -11.669 1.00 13.34 H new ATOM 0 HG22 ILE A 41 -18.015 12.380 -13.433 1.00 13.34 H new ATOM 0 HG23 ILE A 41 -18.716 10.976 -12.594 1.00 13.34 H new ATOM 0 HD11 ILE A 41 -17.304 8.966 -10.034 1.00 54.14 H new ATOM 0 HD12 ILE A 41 -18.014 10.533 -10.489 1.00 54.14 H new ATOM 0 HD13 ILE A 41 -18.239 9.115 -11.540 1.00 54.14 H new ATOM 651 N SER A 42 -18.200 10.759 -15.802 1.00 55.54 N ATOM 652 CA SER A 42 -18.704 11.494 -16.950 1.00 52.04 C ATOM 653 C SER A 42 -18.345 10.756 -18.242 1.00 54.50 C ATOM 654 O SER A 42 -18.987 10.954 -19.273 1.00 31.03 O ATOM 655 CB SER A 42 -18.147 12.919 -16.980 1.00 71.44 C ATOM 656 OG SER A 42 -19.030 13.823 -17.638 1.00 13.52 O ATOM 0 H SER A 42 -18.856 10.086 -15.405 1.00 55.54 H new ATOM 0 HA SER A 42 -19.789 11.559 -16.865 1.00 52.04 H new ATOM 0 HB2 SER A 42 -17.972 13.261 -15.960 1.00 71.44 H new ATOM 0 HB3 SER A 42 -17.182 12.921 -17.487 1.00 71.44 H new ATOM 0 HG SER A 42 -18.640 14.722 -17.635 1.00 13.52 H new ATOM 662 N MET A 43 -17.321 9.922 -18.144 1.00 72.11 N ATOM 663 CA MET A 43 -16.869 9.154 -19.292 1.00 32.23 C ATOM 664 C MET A 43 -17.539 7.778 -19.329 1.00 45.41 C ATOM 665 O MET A 43 -17.595 7.084 -18.316 1.00 24.35 O ATOM 666 CB MET A 43 -15.351 8.981 -19.225 1.00 5.04 C ATOM 667 CG MET A 43 -14.687 10.203 -18.586 1.00 35.15 C ATOM 668 SD MET A 43 -13.079 10.473 -19.310 1.00 42.52 S ATOM 669 CE MET A 43 -12.457 8.800 -19.318 1.00 0.31 C ATOM 0 H MET A 43 -16.791 9.761 -17.287 1.00 72.11 H new ATOM 0 HA MET A 43 -17.142 9.695 -20.198 1.00 32.23 H new ATOM 0 HB2 MET A 43 -15.108 8.088 -18.649 1.00 5.04 H new ATOM 0 HB3 MET A 43 -14.954 8.830 -20.229 1.00 5.04 H new ATOM 0 HG2 MET A 43 -15.312 11.084 -18.730 1.00 35.15 H new ATOM 0 HG3 MET A 43 -14.590 10.054 -17.511 1.00 35.15 H new ATOM 0 HE1 MET A 43 -11.493 8.768 -18.810 1.00 0.31 H new ATOM 0 HE2 MET A 43 -13.161 8.148 -18.802 1.00 0.31 H new ATOM 0 HE3 MET A 43 -12.337 8.462 -20.347 1.00 0.31 H new ATOM 679 N GLN A 44 -18.029 7.426 -20.508 1.00 52.33 N ATOM 680 CA GLN A 44 -18.692 6.146 -20.691 1.00 15.40 C ATOM 681 C GLN A 44 -17.663 5.052 -20.981 1.00 75.01 C ATOM 682 O GLN A 44 -16.466 5.324 -21.054 1.00 52.43 O ATOM 683 CB GLN A 44 -19.738 6.225 -21.805 1.00 33.11 C ATOM 684 CG GLN A 44 -20.661 7.429 -21.607 1.00 43.52 C ATOM 685 CD GLN A 44 -20.983 8.098 -22.945 1.00 13.41 C ATOM 686 OE1 GLN A 44 -20.401 9.102 -23.323 1.00 72.30 O ATOM 687 NE2 GLN A 44 -21.941 7.489 -23.638 1.00 21.53 N ATOM 0 H GLN A 44 -17.980 8.005 -21.346 1.00 52.33 H new ATOM 0 HA GLN A 44 -19.212 5.892 -19.767 1.00 15.40 H new ATOM 0 HB2 GLN A 44 -19.240 6.299 -22.772 1.00 33.11 H new ATOM 0 HB3 GLN A 44 -20.328 5.309 -21.820 1.00 33.11 H new ATOM 0 HG2 GLN A 44 -21.585 7.109 -21.125 1.00 43.52 H new ATOM 0 HG3 GLN A 44 -20.187 8.150 -20.941 1.00 43.52 H new ATOM 0 HE21 GLN A 44 -22.388 6.652 -23.264 1.00 21.53 H new ATOM 0 HE22 GLN A 44 -22.229 7.859 -24.544 1.00 21.53 H new ATOM 696 N VAL A 45 -18.168 3.837 -21.139 1.00 24.14 N ATOM 697 CA VAL A 45 -17.307 2.700 -21.419 1.00 51.11 C ATOM 698 C VAL A 45 -17.486 2.278 -22.879 1.00 11.41 C ATOM 699 O VAL A 45 -18.548 2.488 -23.463 1.00 61.25 O ATOM 700 CB VAL A 45 -17.596 1.569 -20.430 1.00 64.23 C ATOM 701 CG1 VAL A 45 -16.964 1.858 -19.067 1.00 73.10 C ATOM 702 CG2 VAL A 45 -19.101 1.327 -20.298 1.00 5.13 C ATOM 0 H VAL A 45 -19.162 3.615 -21.079 1.00 24.14 H new ATOM 0 HA VAL A 45 -16.260 2.971 -21.285 1.00 51.11 H new ATOM 0 HB VAL A 45 -17.144 0.658 -20.822 1.00 64.23 H new ATOM 0 HG11 VAL A 45 -17.184 1.039 -18.383 1.00 73.10 H new ATOM 0 HG12 VAL A 45 -15.884 1.956 -19.180 1.00 73.10 H new ATOM 0 HG13 VAL A 45 -17.372 2.786 -18.666 1.00 73.10 H new ATOM 0 HG21 VAL A 45 -19.279 0.518 -19.589 1.00 5.13 H new ATOM 0 HG22 VAL A 45 -19.586 2.236 -19.941 1.00 5.13 H new ATOM 0 HG23 VAL A 45 -19.512 1.055 -21.270 1.00 5.13 H new ATOM 712 N ASN A 46 -16.431 1.692 -23.426 1.00 34.13 N ATOM 713 CA ASN A 46 -16.459 1.239 -24.806 1.00 62.01 C ATOM 714 C ASN A 46 -16.667 -0.277 -24.837 1.00 1.51 C ATOM 715 O ASN A 46 -16.266 -0.942 -25.790 1.00 63.51 O ATOM 716 CB ASN A 46 -15.139 1.549 -25.514 1.00 5.41 C ATOM 717 CG ASN A 46 -14.003 0.687 -24.959 1.00 71.35 C ATOM 718 OD1 ASN A 46 -14.101 -0.525 -24.861 1.00 62.53 O ATOM 719 ND2 ASN A 46 -12.923 1.377 -24.604 1.00 35.04 N ATOM 0 H ASN A 46 -15.552 1.521 -22.938 1.00 34.13 H new ATOM 0 HA ASN A 46 -17.272 1.757 -25.314 1.00 62.01 H new ATOM 0 HB2 ASN A 46 -15.246 1.371 -26.584 1.00 5.41 H new ATOM 0 HB3 ASN A 46 -14.894 2.604 -25.389 1.00 5.41 H new ATOM 0 HD21 ASN A 46 -12.110 0.892 -24.223 1.00 35.04 H new ATOM 0 HD22 ASN A 46 -12.907 2.391 -24.713 1.00 35.04 H new ATOM 726 N GLN A 47 -17.294 -0.777 -23.783 1.00 22.24 N ATOM 727 CA GLN A 47 -17.560 -2.202 -23.677 1.00 0.31 C ATOM 728 C GLN A 47 -18.364 -2.499 -22.409 1.00 43.14 C ATOM 729 O GLN A 47 -18.222 -1.805 -21.404 1.00 33.25 O ATOM 730 CB GLN A 47 -16.259 -3.006 -23.702 1.00 63.01 C ATOM 731 CG GLN A 47 -16.513 -4.471 -23.341 1.00 65.12 C ATOM 732 CD GLN A 47 -15.195 -5.219 -23.125 1.00 12.54 C ATOM 733 OE1 GLN A 47 -14.930 -6.248 -23.723 1.00 40.03 O ATOM 734 NE2 GLN A 47 -14.387 -4.645 -22.238 1.00 11.33 N ATOM 0 H GLN A 47 -17.626 -0.221 -22.995 1.00 22.24 H new ATOM 0 HA GLN A 47 -18.153 -2.506 -24.539 1.00 0.31 H new ATOM 0 HB2 GLN A 47 -15.808 -2.945 -24.693 1.00 63.01 H new ATOM 0 HB3 GLN A 47 -15.546 -2.573 -23.000 1.00 63.01 H new ATOM 0 HG2 GLN A 47 -17.119 -4.527 -22.437 1.00 65.12 H new ATOM 0 HG3 GLN A 47 -17.082 -4.952 -24.137 1.00 65.12 H new ATOM 0 HE21 GLN A 47 -14.671 -3.783 -21.773 1.00 11.33 H new ATOM 0 HE22 GLN A 47 -13.484 -5.067 -22.023 1.00 11.33 H new ATOM 743 N VAL A 48 -19.190 -3.531 -22.499 1.00 64.01 N ATOM 744 CA VAL A 48 -20.016 -3.929 -21.372 1.00 40.50 C ATOM 745 C VAL A 48 -19.118 -4.413 -20.232 1.00 44.41 C ATOM 746 O VAL A 48 -18.592 -5.524 -20.280 1.00 52.22 O ATOM 747 CB VAL A 48 -21.037 -4.978 -21.816 1.00 24.41 C ATOM 748 CG1 VAL A 48 -21.477 -5.848 -20.637 1.00 14.45 C ATOM 749 CG2 VAL A 48 -22.241 -4.321 -22.493 1.00 2.44 C ATOM 0 H VAL A 48 -19.305 -4.104 -23.335 1.00 64.01 H new ATOM 0 HA VAL A 48 -20.586 -3.079 -20.997 1.00 40.50 H new ATOM 0 HB VAL A 48 -20.555 -5.625 -22.548 1.00 24.41 H new ATOM 0 HG11 VAL A 48 -22.203 -6.585 -20.980 1.00 14.45 H new ATOM 0 HG12 VAL A 48 -20.610 -6.359 -20.219 1.00 14.45 H new ATOM 0 HG13 VAL A 48 -21.932 -5.220 -19.871 1.00 14.45 H new ATOM 0 HG21 VAL A 48 -22.951 -5.090 -22.799 1.00 2.44 H new ATOM 0 HG22 VAL A 48 -22.724 -3.638 -21.794 1.00 2.44 H new ATOM 0 HG23 VAL A 48 -21.907 -3.766 -23.370 1.00 2.44 H new ATOM 759 N VAL A 49 -18.969 -3.555 -19.234 1.00 3.35 N ATOM 760 CA VAL A 49 -18.143 -3.881 -18.083 1.00 61.03 C ATOM 761 C VAL A 49 -19.043 -4.166 -16.879 1.00 42.02 C ATOM 762 O VAL A 49 -19.578 -3.243 -16.268 1.00 15.12 O ATOM 763 CB VAL A 49 -17.137 -2.757 -17.825 1.00 73.14 C ATOM 764 CG1 VAL A 49 -16.044 -3.211 -16.856 1.00 34.12 C ATOM 765 CG2 VAL A 49 -16.532 -2.252 -19.136 1.00 41.45 C ATOM 0 H VAL A 49 -19.406 -2.634 -19.198 1.00 3.35 H new ATOM 0 HA VAL A 49 -17.561 -4.782 -18.274 1.00 61.03 H new ATOM 0 HB VAL A 49 -17.672 -1.928 -17.361 1.00 73.14 H new ATOM 0 HG11 VAL A 49 -15.342 -2.393 -16.690 1.00 34.12 H new ATOM 0 HG12 VAL A 49 -16.496 -3.500 -15.907 1.00 34.12 H new ATOM 0 HG13 VAL A 49 -15.514 -4.064 -17.280 1.00 34.12 H new ATOM 0 HG21 VAL A 49 -15.821 -1.454 -18.925 1.00 41.45 H new ATOM 0 HG22 VAL A 49 -16.019 -3.071 -19.639 1.00 41.45 H new ATOM 0 HG23 VAL A 49 -17.325 -1.870 -19.779 1.00 41.45 H new ATOM 775 N PRO A 50 -19.185 -5.482 -16.567 1.00 0.14 N ATOM 776 CA PRO A 50 -20.011 -5.900 -15.447 1.00 22.14 C ATOM 777 C PRO A 50 -19.310 -5.624 -14.115 1.00 44.21 C ATOM 778 O PRO A 50 -18.095 -5.430 -14.077 1.00 74.42 O ATOM 779 CB PRO A 50 -20.275 -7.378 -15.683 1.00 54.02 C ATOM 780 CG PRO A 50 -19.213 -7.839 -16.668 1.00 20.45 C ATOM 781 CD PRO A 50 -18.566 -6.602 -17.268 1.00 63.44 C ATOM 0 HA PRO A 50 -20.948 -5.346 -15.386 1.00 22.14 H new ATOM 0 HB2 PRO A 50 -20.213 -7.939 -14.751 1.00 54.02 H new ATOM 0 HB3 PRO A 50 -21.276 -7.537 -16.085 1.00 54.02 H new ATOM 0 HG2 PRO A 50 -18.467 -8.454 -16.165 1.00 20.45 H new ATOM 0 HG3 PRO A 50 -19.659 -8.454 -17.450 1.00 20.45 H new ATOM 0 HD2 PRO A 50 -17.486 -6.611 -17.124 1.00 63.44 H new ATOM 0 HD3 PRO A 50 -18.744 -6.544 -18.342 1.00 63.44 H new ATOM 789 N MET A 51 -20.104 -5.614 -13.055 1.00 74.21 N ATOM 790 CA MET A 51 -19.575 -5.365 -11.725 1.00 72.00 C ATOM 791 C MET A 51 -18.509 -6.399 -11.357 1.00 11.25 C ATOM 792 O MET A 51 -18.614 -7.565 -11.733 1.00 31.22 O ATOM 793 CB MET A 51 -20.713 -5.419 -10.704 1.00 75.21 C ATOM 794 CG MET A 51 -20.230 -4.981 -9.320 1.00 51.33 C ATOM 795 SD MET A 51 -21.555 -5.133 -8.134 1.00 52.02 S ATOM 796 CE MET A 51 -20.944 -6.498 -7.160 1.00 2.11 C ATOM 0 H MET A 51 -21.111 -5.774 -13.090 1.00 74.21 H new ATOM 0 HA MET A 51 -19.115 -4.377 -11.717 1.00 72.00 H new ATOM 0 HB2 MET A 51 -21.529 -4.774 -11.029 1.00 75.21 H new ATOM 0 HB3 MET A 51 -21.110 -6.433 -10.650 1.00 75.21 H new ATOM 0 HG2 MET A 51 -19.383 -5.593 -9.011 1.00 51.33 H new ATOM 0 HG3 MET A 51 -19.881 -3.949 -9.357 1.00 51.33 H new ATOM 0 HE1 MET A 51 -21.656 -6.727 -6.367 1.00 2.11 H new ATOM 0 HE2 MET A 51 -20.818 -7.373 -7.798 1.00 2.11 H new ATOM 0 HE3 MET A 51 -19.984 -6.229 -6.719 1.00 2.11 H new ATOM 806 N GLY A 52 -17.507 -5.934 -10.625 1.00 12.40 N ATOM 807 CA GLY A 52 -16.423 -6.803 -10.201 1.00 61.24 C ATOM 808 C GLY A 52 -15.351 -6.912 -11.288 1.00 2.33 C ATOM 809 O GLY A 52 -14.268 -7.441 -11.045 1.00 24.41 O ATOM 0 H GLY A 52 -17.423 -4.966 -10.315 1.00 12.40 H new ATOM 0 HA2 GLY A 52 -15.979 -6.415 -9.284 1.00 61.24 H new ATOM 0 HA3 GLY A 52 -16.815 -7.794 -9.971 1.00 61.24 H new ATOM 813 N THR A 53 -15.690 -6.401 -12.462 1.00 72.43 N ATOM 814 CA THR A 53 -14.770 -6.434 -13.587 1.00 32.25 C ATOM 815 C THR A 53 -13.826 -5.231 -13.538 1.00 60.41 C ATOM 816 O THR A 53 -14.267 -4.087 -13.633 1.00 70.24 O ATOM 817 CB THR A 53 -15.597 -6.506 -14.872 1.00 22.51 C ATOM 818 OG1 THR A 53 -16.441 -7.638 -14.679 1.00 21.23 O ATOM 819 CG2 THR A 53 -14.751 -6.877 -16.092 1.00 50.40 C ATOM 0 H THR A 53 -16.589 -5.962 -12.659 1.00 72.43 H new ATOM 0 HA THR A 53 -14.128 -7.314 -13.548 1.00 32.25 H new ATOM 0 HB THR A 53 -16.083 -5.546 -15.045 1.00 22.51 H new ATOM 0 HG1 THR A 53 -17.311 -7.343 -14.337 1.00 21.23 H new ATOM 0 HG21 THR A 53 -15.386 -6.915 -16.977 1.00 50.40 H new ATOM 0 HG22 THR A 53 -13.972 -6.128 -16.236 1.00 50.40 H new ATOM 0 HG23 THR A 53 -14.292 -7.853 -15.933 1.00 50.40 H new ATOM 827 N THR A 54 -12.544 -5.532 -13.390 1.00 50.31 N ATOM 828 CA THR A 54 -11.534 -4.489 -13.328 1.00 24.31 C ATOM 829 C THR A 54 -11.707 -3.509 -14.490 1.00 25.03 C ATOM 830 O THR A 54 -12.054 -3.911 -15.599 1.00 45.23 O ATOM 831 CB THR A 54 -10.160 -5.163 -13.301 1.00 33.13 C ATOM 832 OG1 THR A 54 -10.236 -6.062 -12.197 1.00 53.43 O ATOM 833 CG2 THR A 54 -9.040 -4.194 -12.916 1.00 32.42 C ATOM 0 H THR A 54 -12.182 -6.482 -13.311 1.00 50.31 H new ATOM 0 HA THR A 54 -11.637 -3.892 -12.422 1.00 24.31 H new ATOM 0 HB THR A 54 -9.947 -5.593 -14.280 1.00 33.13 H new ATOM 0 HG1 THR A 54 -9.557 -6.762 -12.298 1.00 53.43 H new ATOM 0 HG21 THR A 54 -8.087 -4.723 -12.912 1.00 32.42 H new ATOM 0 HG22 THR A 54 -9.000 -3.379 -13.639 1.00 32.42 H new ATOM 0 HG23 THR A 54 -9.235 -3.789 -11.923 1.00 32.42 H new ATOM 841 N LEU A 55 -11.457 -2.242 -14.195 1.00 4.21 N ATOM 842 CA LEU A 55 -11.580 -1.201 -15.201 1.00 52.21 C ATOM 843 C LEU A 55 -10.227 -0.995 -15.885 1.00 30.02 C ATOM 844 O LEU A 55 -9.200 -0.889 -15.217 1.00 2.44 O ATOM 845 CB LEU A 55 -12.158 0.075 -14.584 1.00 60.44 C ATOM 846 CG LEU A 55 -12.981 0.960 -15.522 1.00 72.14 C ATOM 847 CD1 LEU A 55 -14.282 0.265 -15.931 1.00 1.45 C ATOM 848 CD2 LEU A 55 -13.236 2.333 -14.897 1.00 72.21 C ATOM 0 H LEU A 55 -11.170 -1.913 -13.273 1.00 4.21 H new ATOM 0 HA LEU A 55 -12.286 -1.502 -15.975 1.00 52.21 H new ATOM 0 HB2 LEU A 55 -12.786 -0.206 -13.738 1.00 60.44 H new ATOM 0 HB3 LEU A 55 -11.334 0.668 -14.187 1.00 60.44 H new ATOM 0 HG LEU A 55 -12.404 1.123 -16.432 1.00 72.14 H new ATOM 0 HD11 LEU A 55 -14.848 0.916 -16.598 1.00 1.45 H new ATOM 0 HD12 LEU A 55 -14.050 -0.668 -16.445 1.00 1.45 H new ATOM 0 HD13 LEU A 55 -14.876 0.052 -15.042 1.00 1.45 H new ATOM 0 HD21 LEU A 55 -13.823 2.942 -15.584 1.00 72.21 H new ATOM 0 HD22 LEU A 55 -13.783 2.211 -13.962 1.00 72.21 H new ATOM 0 HD23 LEU A 55 -12.284 2.825 -14.699 1.00 72.21 H new ATOM 860 N MET A 56 -10.270 -0.945 -17.208 1.00 70.10 N ATOM 861 CA MET A 56 -9.060 -0.754 -17.989 1.00 50.15 C ATOM 862 C MET A 56 -9.111 0.564 -18.766 1.00 31.42 C ATOM 863 O MET A 56 -10.189 1.104 -19.008 1.00 0.21 O ATOM 864 CB MET A 56 -8.896 -1.918 -18.969 1.00 5.31 C ATOM 865 CG MET A 56 -8.661 -3.233 -18.223 1.00 42.11 C ATOM 866 SD MET A 56 -6.918 -3.451 -17.904 1.00 33.21 S ATOM 867 CE MET A 56 -6.988 -4.138 -16.258 1.00 34.50 C ATOM 0 H MET A 56 -11.124 -1.033 -17.759 1.00 70.10 H new ATOM 0 HA MET A 56 -8.211 -0.719 -17.306 1.00 50.15 H new ATOM 0 HB2 MET A 56 -9.787 -2.003 -19.591 1.00 5.31 H new ATOM 0 HB3 MET A 56 -8.058 -1.720 -19.638 1.00 5.31 H new ATOM 0 HG2 MET A 56 -9.214 -3.231 -17.283 1.00 42.11 H new ATOM 0 HG3 MET A 56 -9.038 -4.068 -18.813 1.00 42.11 H new ATOM 0 HE1 MET A 56 -5.993 -4.121 -15.814 1.00 34.50 H new ATOM 0 HE2 MET A 56 -7.668 -3.546 -15.645 1.00 34.50 H new ATOM 0 HE3 MET A 56 -7.346 -5.166 -16.308 1.00 34.50 H new ATOM 877 N PRO A 57 -7.901 1.055 -19.144 1.00 63.02 N ATOM 878 CA PRO A 57 -7.797 2.299 -19.888 1.00 73.20 C ATOM 879 C PRO A 57 -8.212 2.101 -21.347 1.00 51.15 C ATOM 880 O PRO A 57 -8.360 3.070 -22.091 1.00 74.41 O ATOM 881 CB PRO A 57 -6.348 2.729 -19.736 1.00 5.04 C ATOM 882 CG PRO A 57 -5.586 1.485 -19.308 1.00 72.45 C ATOM 883 CD PRO A 57 -6.603 0.442 -18.875 1.00 34.20 C ATOM 0 HA PRO A 57 -8.469 3.071 -19.512 1.00 73.20 H new ATOM 0 HB2 PRO A 57 -5.957 3.123 -20.674 1.00 5.04 H new ATOM 0 HB3 PRO A 57 -6.252 3.521 -18.993 1.00 5.04 H new ATOM 0 HG2 PRO A 57 -4.979 1.108 -20.131 1.00 72.45 H new ATOM 0 HG3 PRO A 57 -4.905 1.717 -18.489 1.00 72.45 H new ATOM 0 HD2 PRO A 57 -6.480 -0.486 -19.433 1.00 34.20 H new ATOM 0 HD3 PRO A 57 -6.493 0.196 -17.819 1.00 34.20 H new ATOM 891 N ASP A 58 -8.388 0.840 -21.714 1.00 22.03 N ATOM 892 CA ASP A 58 -8.783 0.503 -23.071 1.00 22.22 C ATOM 893 C ASP A 58 -10.265 0.124 -23.087 1.00 20.44 C ATOM 894 O ASP A 58 -10.768 -0.389 -24.086 1.00 3.54 O ATOM 895 CB ASP A 58 -7.984 -0.691 -23.596 1.00 63.24 C ATOM 896 CG ASP A 58 -6.686 -0.332 -24.322 1.00 43.43 C ATOM 897 OD1 ASP A 58 -5.988 -1.208 -24.855 1.00 1.54 O ATOM 898 OD2 ASP A 58 -6.395 0.925 -24.329 1.00 1.23 O ATOM 0 H ASP A 58 -8.264 0.039 -21.095 1.00 22.03 H new ATOM 0 HA ASP A 58 -8.593 1.370 -23.703 1.00 22.22 H new ATOM 0 HB2 ASP A 58 -7.745 -1.346 -22.758 1.00 63.24 H new ATOM 0 HB3 ASP A 58 -8.617 -1.262 -24.276 1.00 63.24 H new ATOM 904 N MET A 59 -10.923 0.390 -21.968 1.00 30.21 N ATOM 905 CA MET A 59 -12.338 0.083 -21.841 1.00 24.14 C ATOM 906 C MET A 59 -13.147 1.344 -21.533 1.00 2.34 C ATOM 907 O MET A 59 -14.314 1.260 -21.154 1.00 0.34 O ATOM 908 CB MET A 59 -12.539 -0.940 -20.721 1.00 14.45 C ATOM 909 CG MET A 59 -12.081 -2.332 -21.160 1.00 10.32 C ATOM 910 SD MET A 59 -12.780 -3.572 -20.084 1.00 30.43 S ATOM 911 CE MET A 59 -12.373 -2.869 -18.494 1.00 71.24 C ATOM 0 H MET A 59 -10.503 0.815 -21.141 1.00 30.21 H new ATOM 0 HA MET A 59 -12.689 -0.328 -22.788 1.00 24.14 H new ATOM 0 HB2 MET A 59 -11.980 -0.631 -19.837 1.00 14.45 H new ATOM 0 HB3 MET A 59 -13.591 -0.972 -20.438 1.00 14.45 H new ATOM 0 HG2 MET A 59 -12.388 -2.517 -22.189 1.00 10.32 H new ATOM 0 HG3 MET A 59 -10.993 -2.390 -21.137 1.00 10.32 H new ATOM 0 HE1 MET A 59 -12.786 -3.495 -17.703 1.00 71.24 H new ATOM 0 HE2 MET A 59 -11.290 -2.816 -18.386 1.00 71.24 H new ATOM 0 HE3 MET A 59 -12.794 -1.866 -18.421 1.00 71.24 H new ATOM 921 N VAL A 60 -12.495 2.484 -21.707 1.00 4.42 N ATOM 922 CA VAL A 60 -13.139 3.762 -21.452 1.00 60.41 C ATOM 923 C VAL A 60 -13.006 4.651 -22.690 1.00 71.22 C ATOM 924 O VAL A 60 -11.928 4.752 -23.273 1.00 42.22 O ATOM 925 CB VAL A 60 -12.554 4.401 -20.191 1.00 65.04 C ATOM 926 CG1 VAL A 60 -13.154 5.787 -19.950 1.00 41.43 C ATOM 927 CG2 VAL A 60 -12.755 3.497 -18.974 1.00 33.42 C ATOM 0 H VAL A 60 -11.527 2.550 -22.022 1.00 4.42 H new ATOM 0 HA VAL A 60 -14.204 3.622 -21.265 1.00 60.41 H new ATOM 0 HB VAL A 60 -11.482 4.522 -20.344 1.00 65.04 H new ATOM 0 HG11 VAL A 60 -12.721 6.219 -19.048 1.00 41.43 H new ATOM 0 HG12 VAL A 60 -12.935 6.431 -20.802 1.00 41.43 H new ATOM 0 HG13 VAL A 60 -14.234 5.700 -19.829 1.00 41.43 H new ATOM 0 HG21 VAL A 60 -12.330 3.975 -18.091 1.00 33.42 H new ATOM 0 HG22 VAL A 60 -13.821 3.329 -18.818 1.00 33.42 H new ATOM 0 HG23 VAL A 60 -12.258 2.542 -19.144 1.00 33.42 H new ATOM 937 N LYS A 61 -14.118 5.272 -23.055 1.00 42.30 N ATOM 938 CA LYS A 61 -14.139 6.150 -24.213 1.00 72.52 C ATOM 939 C LYS A 61 -13.747 7.564 -23.783 1.00 44.42 C ATOM 940 O LYS A 61 -14.149 8.027 -22.717 1.00 24.14 O ATOM 941 CB LYS A 61 -15.496 6.075 -24.917 1.00 64.21 C ATOM 942 CG LYS A 61 -15.462 5.065 -26.066 1.00 51.01 C ATOM 943 CD LYS A 61 -16.635 4.087 -25.971 1.00 21.01 C ATOM 944 CE LYS A 61 -17.961 4.790 -26.270 1.00 65.21 C ATOM 945 NZ LYS A 61 -18.358 5.651 -25.134 1.00 54.22 N ATOM 0 H LYS A 61 -15.011 5.185 -22.570 1.00 42.30 H new ATOM 0 HA LYS A 61 -13.404 5.826 -24.950 1.00 72.52 H new ATOM 0 HB2 LYS A 61 -16.266 5.790 -24.200 1.00 64.21 H new ATOM 0 HB3 LYS A 61 -15.766 7.059 -25.301 1.00 64.21 H new ATOM 0 HG2 LYS A 61 -15.500 5.592 -27.019 1.00 51.01 H new ATOM 0 HG3 LYS A 61 -14.522 4.514 -26.043 1.00 51.01 H new ATOM 0 HD2 LYS A 61 -16.487 3.267 -26.674 1.00 21.01 H new ATOM 0 HD3 LYS A 61 -16.668 3.649 -24.973 1.00 21.01 H new ATOM 0 HE2 LYS A 61 -17.865 5.392 -27.174 1.00 65.21 H new ATOM 0 HE3 LYS A 61 -18.737 4.049 -26.461 1.00 65.21 H new ATOM 0 HZ1 LYS A 61 -19.396 5.696 -25.078 1.00 54.22 H new ATOM 0 HZ2 LYS A 61 -17.980 5.255 -24.250 1.00 54.22 H new ATOM 0 HZ3 LYS A 61 -17.977 6.609 -25.275 1.00 54.22 H new ATOM 958 N GLY A 62 -12.966 8.212 -24.635 1.00 51.34 N ATOM 959 CA GLY A 62 -12.515 9.565 -24.357 1.00 2.20 C ATOM 960 C GLY A 62 -11.539 9.586 -23.179 1.00 3.01 C ATOM 961 O GLY A 62 -11.310 10.634 -22.576 1.00 32.50 O ATOM 0 H GLY A 62 -12.634 7.825 -25.518 1.00 51.34 H new ATOM 0 HA2 GLY A 62 -12.032 9.980 -25.242 1.00 2.20 H new ATOM 0 HA3 GLY A 62 -13.373 10.200 -24.135 1.00 2.20 H new ATOM 965 N TYR A 63 -10.989 8.417 -22.886 1.00 73.52 N ATOM 966 CA TYR A 63 -10.043 8.287 -21.791 1.00 11.30 C ATOM 967 C TYR A 63 -8.617 8.584 -22.260 1.00 53.12 C ATOM 968 O TYR A 63 -8.380 8.779 -23.451 1.00 61.03 O ATOM 969 CB TYR A 63 -10.124 6.829 -21.334 1.00 3.40 C ATOM 970 CG TYR A 63 -9.123 6.466 -20.235 1.00 34.40 C ATOM 971 CD1 TYR A 63 -7.864 6.013 -20.571 1.00 22.33 C ATOM 972 CD2 TYR A 63 -9.481 6.590 -18.908 1.00 3.53 C ATOM 973 CE1 TYR A 63 -6.922 5.670 -19.536 1.00 53.33 C ATOM 974 CE2 TYR A 63 -8.539 6.248 -17.873 1.00 53.13 C ATOM 975 CZ TYR A 63 -7.307 5.805 -18.239 1.00 25.13 C ATOM 976 OH TYR A 63 -6.417 5.482 -17.262 1.00 33.53 O ATOM 0 H TYR A 63 -11.181 7.550 -23.389 1.00 73.52 H new ATOM 0 HA TYR A 63 -10.282 8.989 -20.992 1.00 11.30 H new ATOM 0 HB2 TYR A 63 -11.133 6.627 -20.974 1.00 3.40 H new ATOM 0 HB3 TYR A 63 -9.956 6.180 -22.193 1.00 3.40 H new ATOM 0 HD1 TYR A 63 -7.584 5.915 -21.610 1.00 22.33 H new ATOM 0 HD2 TYR A 63 -10.467 6.943 -18.645 1.00 3.53 H new ATOM 0 HE1 TYR A 63 -5.933 5.314 -19.785 1.00 53.33 H new ATOM 0 HE2 TYR A 63 -8.805 6.341 -16.831 1.00 53.13 H new ATOM 0 HH TYR A 63 -6.247 6.268 -16.701 1.00 33.53 H new ATOM 986 N ALA A 64 -7.705 8.609 -21.299 1.00 55.23 N ATOM 987 CA ALA A 64 -6.310 8.879 -21.599 1.00 45.02 C ATOM 988 C ALA A 64 -5.584 9.279 -20.313 1.00 31.12 C ATOM 989 O ALA A 64 -6.213 9.727 -19.355 1.00 45.22 O ATOM 990 CB ALA A 64 -6.219 9.959 -22.679 1.00 63.35 C ATOM 0 H ALA A 64 -7.905 8.447 -20.312 1.00 55.23 H new ATOM 0 HA ALA A 64 -5.822 7.986 -21.989 1.00 45.02 H new ATOM 0 HB1 ALA A 64 -5.172 10.161 -22.904 1.00 63.35 H new ATOM 0 HB2 ALA A 64 -6.724 9.615 -23.581 1.00 63.35 H new ATOM 0 HB3 ALA A 64 -6.696 10.872 -22.322 1.00 63.35 H new ATOM 996 N PRO A 65 -4.236 9.097 -20.333 1.00 14.42 N ATOM 997 CA PRO A 65 -3.419 9.434 -19.180 1.00 2.11 C ATOM 998 C PRO A 65 -3.248 10.949 -19.053 1.00 3.23 C ATOM 999 O PRO A 65 -4.010 11.715 -19.640 1.00 14.13 O ATOM 1000 CB PRO A 65 -2.104 8.705 -19.403 1.00 72.54 C ATOM 1001 CG PRO A 65 -2.062 8.367 -20.885 1.00 24.42 C ATOM 1002 CD PRO A 65 -3.458 8.569 -21.449 1.00 73.23 C ATOM 0 HA PRO A 65 -3.874 9.128 -18.238 1.00 2.11 H new ATOM 0 HB2 PRO A 65 -1.257 9.331 -19.121 1.00 72.54 H new ATOM 0 HB3 PRO A 65 -2.050 7.802 -18.795 1.00 72.54 H new ATOM 0 HG2 PRO A 65 -1.345 9.005 -21.402 1.00 24.42 H new ATOM 0 HG3 PRO A 65 -1.736 7.337 -21.033 1.00 24.42 H new ATOM 0 HD2 PRO A 65 -3.449 9.264 -22.289 1.00 73.23 H new ATOM 0 HD3 PRO A 65 -3.877 7.632 -21.815 1.00 73.23 H new