USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 712 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 78 ASN : amide:sc= 1.03 K(o=1.6,f=-7.7!) USER MOD Set 1.2: A 83 LYS NZ :NH3+ 160:sc= 0.647 (180deg=-1.56) USER MOD Set 1.3: A 85 SER OG : rot 180:sc= -0.0597 USER MOD Set 2.1: A 42 ASN : amide:sc= 0.799 K(o=2.7,f=-4!) USER MOD Set 2.2: A 50 LYS NZ :NH3+ -157:sc= 1.85 (180deg=0.211) USER MOD Set 3.1: A 25 GLN : amide:sc= -1.59! C(o=-0.39!,f=-5.6!) USER MOD Set 3.2: A 27 LYS NZ :NH3+ 170:sc= 1.2 (180deg=0.86) USER MOD Single : A 1 GLY N :NH3+ -134:sc= 0.0312 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0.0272 USER MOD Single : A 14 SER OG : rot -128:sc= 0.635 USER MOD Single : A 19 CYS SG : rot 180:sc= -0.143 USER MOD Single : A 21 ASN : amide:sc= -1.88! K(o=-1.9!,f=-0.96) USER MOD Single : A 26 LYS NZ :NH3+ -145:sc= 1.23 (180deg=-0.345!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 95:sc= 1.15 USER MOD Single : A 35 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.111) USER MOD Single : A 37 GLN : amide:sc= -1.09 K(o=-1.1,f=-0.028) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HE2:sc= -1.47 K(o=-1.5,f=0.1) USER MOD Single : A 55 MET CE :methyl -135:sc= -0.607 (180deg=-1.79!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.308 X(o=-0.31,f=-0.34) USER MOD Single : A 61 ASN : amide:sc= -2.13 K(o=-2.1,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot -165:sc= 0.112 USER MOD Single : A 74 SER OG : rot 75:sc= 0.242 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 81 ASN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 84 SER OG : rot 99:sc= -1.77! USER MOD Single : A 87 CYS SG : rot 180:sc= -0.115 USER MOD Single : A 88 ASN : amide:sc= -1.8 K(o=-1.8,f=-0.2) USER MOD Single : A 91 LYS NZ :NH3+ -149:sc= 1.25 (180deg=0.988) USER MOD Single : A 93 ASN : amide:sc= -0.527 X(o=-0.53,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.226 15.098 2.133 1.00 18.66 N ATOM 2 CA GLY A 1 -11.609 13.707 1.997 1.00 18.87 C ATOM 3 C GLY A 1 -10.763 12.969 0.979 1.00 18.23 C ATOM 4 O GLY A 1 -9.591 13.296 0.785 1.00 18.31 O ATOM 0 H1 GLY A 1 -11.163 15.344 3.142 1.00 18.66 H new ATOM 0 H2 GLY A 1 -10.301 15.249 1.681 1.00 18.66 H new ATOM 0 H3 GLY A 1 -11.938 15.701 1.674 1.00 18.66 H new ATOM 0 HA2 GLY A 1 -11.521 13.213 2.965 1.00 18.87 H new ATOM 0 HA3 GLY A 1 -12.657 13.649 1.704 1.00 18.87 H new ATOM 8 N ALA A 2 -11.354 11.983 0.324 1.00 17.70 N ATOM 9 CA ALA A 2 -10.649 11.191 -0.667 1.00 17.18 C ATOM 10 C ALA A 2 -11.299 11.354 -2.035 1.00 16.38 C ATOM 11 O ALA A 2 -12.386 10.834 -2.286 1.00 16.21 O ATOM 12 CB ALA A 2 -10.624 9.727 -0.253 1.00 17.38 C ATOM 0 H ALA A 2 -12.327 11.712 0.463 1.00 17.70 H new ATOM 0 HA ALA A 2 -9.621 11.546 -0.732 1.00 17.18 H new ATOM 0 HB1 ALA A 2 -10.092 9.145 -1.006 1.00 17.38 H new ATOM 0 HB2 ALA A 2 -10.117 9.629 0.707 1.00 17.38 H new ATOM 0 HB3 ALA A 2 -11.645 9.357 -0.163 1.00 17.38 H new ATOM 18 N LYS A 3 -10.629 12.081 -2.915 1.00 16.02 N ATOM 19 CA LYS A 3 -11.135 12.334 -4.258 1.00 15.35 C ATOM 20 C LYS A 3 -10.663 11.228 -5.199 1.00 14.78 C ATOM 21 O LYS A 3 -10.283 11.475 -6.346 1.00 14.87 O ATOM 22 CB LYS A 3 -10.645 13.702 -4.750 1.00 15.66 C ATOM 23 CG LYS A 3 -11.001 14.845 -3.811 1.00 16.14 C ATOM 24 CD LYS A 3 -10.418 16.171 -4.277 1.00 16.34 C ATOM 25 CE LYS A 3 -10.728 17.289 -3.292 1.00 16.93 C ATOM 26 NZ LYS A 3 -10.160 18.589 -3.727 1.00 17.44 N ATOM 0 H LYS A 3 -9.724 12.511 -2.722 1.00 16.02 H new ATOM 0 HA LYS A 3 -12.225 12.341 -4.241 1.00 15.35 H new ATOM 0 HB2 LYS A 3 -9.563 13.668 -4.875 1.00 15.66 H new ATOM 0 HB3 LYS A 3 -11.074 13.902 -5.732 1.00 15.66 H new ATOM 0 HG2 LYS A 3 -12.085 14.931 -3.740 1.00 16.14 H new ATOM 0 HG3 LYS A 3 -10.633 14.619 -2.810 1.00 16.14 H new ATOM 0 HD2 LYS A 3 -9.338 16.075 -4.393 1.00 16.34 H new ATOM 0 HD3 LYS A 3 -10.823 16.424 -5.257 1.00 16.34 H new ATOM 0 HE2 LYS A 3 -11.808 17.385 -3.181 1.00 16.93 H new ATOM 0 HE3 LYS A 3 -10.329 17.029 -2.312 1.00 16.93 H new ATOM 0 HZ1 LYS A 3 -10.395 19.322 -3.028 1.00 17.44 H new ATOM 0 HZ2 LYS A 3 -9.126 18.506 -3.808 1.00 17.44 H new ATOM 0 HZ3 LYS A 3 -10.560 18.851 -4.651 1.00 17.44 H new ATOM 40 N GLY A 4 -10.708 10.001 -4.704 1.00 14.34 N ATOM 41 CA GLY A 4 -10.165 8.886 -5.442 1.00 13.91 C ATOM 42 C GLY A 4 -11.206 7.864 -5.841 1.00 13.19 C ATOM 43 O GLY A 4 -11.325 6.810 -5.216 1.00 13.08 O ATOM 0 H GLY A 4 -11.113 9.759 -3.800 1.00 14.34 H new ATOM 0 HA2 GLY A 4 -9.671 9.260 -6.339 1.00 13.91 H new ATOM 0 HA3 GLY A 4 -9.401 8.398 -4.838 1.00 13.91 H new ATOM 47 N ASP A 5 -11.964 8.180 -6.876 1.00 12.83 N ATOM 48 CA ASP A 5 -12.868 7.213 -7.483 1.00 12.29 C ATOM 49 C ASP A 5 -12.685 7.261 -8.989 1.00 11.32 C ATOM 50 O ASP A 5 -12.538 8.341 -9.563 1.00 11.07 O ATOM 51 CB ASP A 5 -14.331 7.483 -7.115 1.00 12.76 C ATOM 52 CG ASP A 5 -15.270 6.418 -7.667 1.00 13.25 C ATOM 53 OD1 ASP A 5 -16.005 6.708 -8.636 1.00 13.69 O ATOM 54 OD2 ASP A 5 -15.281 5.288 -7.137 1.00 13.33 O ATOM 0 H ASP A 5 -11.973 9.100 -7.316 1.00 12.83 H new ATOM 0 HA ASP A 5 -12.625 6.221 -7.102 1.00 12.29 H new ATOM 0 HB2 ASP A 5 -14.429 7.524 -6.030 1.00 12.76 H new ATOM 0 HB3 ASP A 5 -14.626 8.459 -7.499 1.00 12.76 H new ATOM 59 N LEU A 6 -12.664 6.097 -9.618 1.00 10.94 N ATOM 60 CA LEU A 6 -12.387 6.005 -11.045 1.00 10.15 C ATOM 61 C LEU A 6 -13.505 6.628 -11.859 1.00 9.46 C ATOM 62 O LEU A 6 -14.656 6.193 -11.806 1.00 9.68 O ATOM 63 CB LEU A 6 -12.157 4.548 -11.482 1.00 10.29 C ATOM 64 CG LEU A 6 -10.853 3.901 -10.995 1.00 10.86 C ATOM 65 CD1 LEU A 6 -10.917 3.597 -9.511 1.00 11.39 C ATOM 66 CD2 LEU A 6 -10.563 2.631 -11.779 1.00 10.88 C ATOM 0 H LEU A 6 -12.836 5.200 -9.163 1.00 10.94 H new ATOM 0 HA LEU A 6 -11.470 6.563 -11.233 1.00 10.15 H new ATOM 0 HB2 LEU A 6 -12.993 3.946 -11.127 1.00 10.29 H new ATOM 0 HB3 LEU A 6 -12.175 4.508 -12.571 1.00 10.29 H new ATOM 0 HG LEU A 6 -10.043 4.611 -11.164 1.00 10.86 H new ATOM 0 HD11 LEU A 6 -9.980 3.139 -9.193 1.00 11.39 H new ATOM 0 HD12 LEU A 6 -11.076 4.522 -8.957 1.00 11.39 H new ATOM 0 HD13 LEU A 6 -11.741 2.911 -9.315 1.00 11.39 H new ATOM 0 HD21 LEU A 6 -9.635 2.186 -11.420 1.00 10.88 H new ATOM 0 HD22 LEU A 6 -11.381 1.924 -11.642 1.00 10.88 H new ATOM 0 HD23 LEU A 6 -10.465 2.871 -12.838 1.00 10.88 H new ATOM 78 N VAL A 7 -13.151 7.665 -12.598 1.00 8.82 N ATOM 79 CA VAL A 7 -14.096 8.348 -13.456 1.00 8.29 C ATOM 80 C VAL A 7 -14.077 7.753 -14.859 1.00 7.44 C ATOM 81 O VAL A 7 -13.022 7.374 -15.373 1.00 7.11 O ATOM 82 CB VAL A 7 -13.805 9.862 -13.533 1.00 8.29 C ATOM 83 CG1 VAL A 7 -14.069 10.531 -12.192 1.00 8.14 C ATOM 84 CG2 VAL A 7 -12.375 10.128 -13.982 1.00 8.52 C ATOM 0 H VAL A 7 -12.208 8.053 -12.619 1.00 8.82 H new ATOM 0 HA VAL A 7 -15.085 8.211 -13.018 1.00 8.29 H new ATOM 0 HB VAL A 7 -14.479 10.290 -14.275 1.00 8.29 H new ATOM 0 HG11 VAL A 7 -13.857 11.597 -12.269 1.00 8.14 H new ATOM 0 HG12 VAL A 7 -15.113 10.388 -11.913 1.00 8.14 H new ATOM 0 HG13 VAL A 7 -13.426 10.088 -11.431 1.00 8.14 H new ATOM 0 HG21 VAL A 7 -12.202 11.203 -14.026 1.00 8.52 H new ATOM 0 HG22 VAL A 7 -11.681 9.677 -13.272 1.00 8.52 H new ATOM 0 HG23 VAL A 7 -12.217 9.694 -14.969 1.00 8.52 H new ATOM 94 N SER A 8 -15.241 7.706 -15.487 1.00 7.35 N ATOM 95 CA SER A 8 -15.388 7.138 -16.823 1.00 6.76 C ATOM 96 C SER A 8 -14.834 8.083 -17.892 1.00 6.25 C ATOM 97 O SER A 8 -15.023 7.871 -19.087 1.00 6.60 O ATOM 98 CB SER A 8 -16.865 6.843 -17.081 1.00 7.45 C ATOM 99 OG SER A 8 -17.662 7.958 -16.718 1.00 7.95 O ATOM 0 H SER A 8 -16.111 8.059 -15.088 1.00 7.35 H new ATOM 0 HA SER A 8 -14.815 6.212 -16.878 1.00 6.76 H new ATOM 0 HB2 SER A 8 -17.017 6.607 -18.134 1.00 7.45 H new ATOM 0 HB3 SER A 8 -17.173 5.967 -16.510 1.00 7.45 H new ATOM 0 HG SER A 8 -18.605 7.756 -16.890 1.00 7.95 H new ATOM 105 N PHE A 9 -14.125 9.112 -17.450 1.00 5.71 N ATOM 106 CA PHE A 9 -13.571 10.114 -18.345 1.00 5.49 C ATOM 107 C PHE A 9 -12.248 9.644 -18.952 1.00 4.56 C ATOM 108 O PHE A 9 -11.917 9.986 -20.088 1.00 4.58 O ATOM 109 CB PHE A 9 -13.383 11.428 -17.575 1.00 5.95 C ATOM 110 CG PHE A 9 -12.639 12.491 -18.326 1.00 6.09 C ATOM 111 CD1 PHE A 9 -11.328 12.782 -18.000 1.00 6.22 C ATOM 112 CD2 PHE A 9 -13.249 13.198 -19.349 1.00 6.41 C ATOM 113 CE1 PHE A 9 -10.633 13.762 -18.676 1.00 6.69 C ATOM 114 CE2 PHE A 9 -12.559 14.181 -20.033 1.00 6.91 C ATOM 115 CZ PHE A 9 -11.249 14.461 -19.697 1.00 7.07 C ATOM 0 H PHE A 9 -13.919 9.274 -16.464 1.00 5.71 H new ATOM 0 HA PHE A 9 -14.265 10.275 -19.170 1.00 5.49 H new ATOM 0 HB2 PHE A 9 -14.364 11.816 -17.299 1.00 5.95 H new ATOM 0 HB3 PHE A 9 -12.851 11.217 -16.647 1.00 5.95 H new ATOM 0 HD1 PHE A 9 -10.842 12.235 -17.206 1.00 6.22 H new ATOM 0 HD2 PHE A 9 -14.273 12.979 -19.614 1.00 6.41 H new ATOM 0 HE1 PHE A 9 -9.610 13.983 -18.409 1.00 6.69 H new ATOM 0 HE2 PHE A 9 -13.043 14.729 -20.828 1.00 6.91 H new ATOM 0 HZ PHE A 9 -10.706 15.226 -20.232 1.00 7.07 H new ATOM 125 N ARG A 10 -11.505 8.836 -18.208 1.00 4.03 N ATOM 126 CA ARG A 10 -10.163 8.449 -18.633 1.00 3.33 C ATOM 127 C ARG A 10 -9.999 6.930 -18.696 1.00 2.88 C ATOM 128 O ARG A 10 -8.882 6.418 -18.679 1.00 3.18 O ATOM 129 CB ARG A 10 -9.111 9.095 -17.713 1.00 3.50 C ATOM 130 CG ARG A 10 -9.404 8.941 -16.230 1.00 3.95 C ATOM 131 CD ARG A 10 -9.046 7.554 -15.727 1.00 4.08 C ATOM 132 NE ARG A 10 -7.602 7.338 -15.700 1.00 4.93 N ATOM 133 CZ ARG A 10 -7.022 6.144 -15.570 1.00 5.72 C ATOM 134 NH1 ARG A 10 -7.760 5.042 -15.462 1.00 5.83 N ATOM 135 NH2 ARG A 10 -5.696 6.050 -15.553 1.00 6.67 N ATOM 0 H ARG A 10 -11.802 8.439 -17.317 1.00 4.03 H new ATOM 0 HA ARG A 10 -10.009 8.818 -19.647 1.00 3.33 H new ATOM 0 HB2 ARG A 10 -8.137 8.655 -17.927 1.00 3.50 H new ATOM 0 HB3 ARG A 10 -9.040 10.157 -17.950 1.00 3.50 H new ATOM 0 HG2 ARG A 10 -8.842 9.688 -15.669 1.00 3.95 H new ATOM 0 HG3 ARG A 10 -10.461 9.133 -16.046 1.00 3.95 H new ATOM 0 HD2 ARG A 10 -9.452 7.416 -14.725 1.00 4.08 H new ATOM 0 HD3 ARG A 10 -9.513 6.805 -16.366 1.00 4.08 H new ATOM 0 HE ARG A 10 -6.997 8.154 -15.786 1.00 4.93 H new ATOM 0 HH11 ARG A 10 -8.778 5.106 -15.478 1.00 5.83 H new ATOM 0 HH12 ARG A 10 -7.308 4.133 -15.363 1.00 5.83 H new ATOM 0 HH21 ARG A 10 -5.124 6.890 -15.639 1.00 6.67 H new ATOM 0 HH22 ARG A 10 -5.251 5.138 -15.454 1.00 6.67 H new ATOM 149 N ILE A 11 -11.111 6.212 -18.801 1.00 2.34 N ATOM 150 CA ILE A 11 -11.063 4.756 -18.865 1.00 1.99 C ATOM 151 C ILE A 11 -10.859 4.298 -20.310 1.00 1.73 C ATOM 152 O ILE A 11 -11.269 4.978 -21.249 1.00 1.72 O ATOM 153 CB ILE A 11 -12.347 4.116 -18.284 1.00 1.97 C ATOM 154 CG1 ILE A 11 -12.627 4.660 -16.879 1.00 2.38 C ATOM 155 CG2 ILE A 11 -12.222 2.599 -18.238 1.00 2.00 C ATOM 156 CD1 ILE A 11 -11.542 4.347 -15.866 1.00 2.89 C ATOM 0 H ILE A 11 -12.049 6.610 -18.843 1.00 2.34 H new ATOM 0 HA ILE A 11 -10.220 4.426 -18.258 1.00 1.99 H new ATOM 0 HB ILE A 11 -13.180 4.376 -18.937 1.00 1.97 H new ATOM 0 HG12 ILE A 11 -12.753 5.741 -16.938 1.00 2.38 H new ATOM 0 HG13 ILE A 11 -13.571 4.248 -16.523 1.00 2.38 H new ATOM 0 HG21 ILE A 11 -13.136 2.171 -17.826 1.00 2.00 H new ATOM 0 HG22 ILE A 11 -12.064 2.216 -19.246 1.00 2.00 H new ATOM 0 HG23 ILE A 11 -11.376 2.323 -17.608 1.00 2.00 H new ATOM 0 HD11 ILE A 11 -11.816 4.766 -14.898 1.00 2.89 H new ATOM 0 HD12 ILE A 11 -11.430 3.267 -15.775 1.00 2.89 H new ATOM 0 HD13 ILE A 11 -10.599 4.783 -16.196 1.00 2.89 H new ATOM 168 N ASP A 12 -10.198 3.160 -20.474 1.00 1.73 N ATOM 169 CA ASP A 12 -9.916 2.602 -21.792 1.00 1.71 C ATOM 170 C ASP A 12 -11.194 2.363 -22.593 1.00 1.43 C ATOM 171 O ASP A 12 -11.295 2.776 -23.752 1.00 1.54 O ATOM 172 CB ASP A 12 -9.152 1.288 -21.656 1.00 2.04 C ATOM 173 CG ASP A 12 -7.820 1.449 -20.950 1.00 2.64 C ATOM 174 OD1 ASP A 12 -6.781 1.451 -21.642 1.00 3.29 O ATOM 175 OD2 ASP A 12 -7.817 1.567 -19.704 1.00 2.90 O ATOM 0 H ASP A 12 -9.843 2.598 -19.700 1.00 1.73 H new ATOM 0 HA ASP A 12 -9.309 3.331 -22.329 1.00 1.71 H new ATOM 0 HB2 ASP A 12 -9.764 0.573 -21.107 1.00 2.04 H new ATOM 0 HB3 ASP A 12 -8.983 0.868 -22.647 1.00 2.04 H new ATOM 180 N GLU A 13 -12.168 1.704 -21.966 1.00 1.24 N ATOM 181 CA GLU A 13 -13.439 1.378 -22.620 1.00 1.15 C ATOM 182 C GLU A 13 -14.164 2.638 -23.080 1.00 1.28 C ATOM 183 O GLU A 13 -14.956 2.603 -24.023 1.00 1.50 O ATOM 184 CB GLU A 13 -14.342 0.580 -21.675 1.00 1.15 C ATOM 185 CG GLU A 13 -14.703 1.326 -20.398 1.00 1.58 C ATOM 186 CD GLU A 13 -15.757 0.616 -19.575 1.00 2.18 C ATOM 187 OE1 GLU A 13 -16.956 0.745 -19.894 1.00 2.35 O ATOM 188 OE2 GLU A 13 -15.387 -0.084 -18.608 1.00 2.96 O ATOM 0 H GLU A 13 -12.102 1.383 -21.000 1.00 1.24 H new ATOM 0 HA GLU A 13 -13.211 0.771 -23.496 1.00 1.15 H new ATOM 0 HB2 GLU A 13 -15.259 0.314 -22.201 1.00 1.15 H new ATOM 0 HB3 GLU A 13 -13.843 -0.353 -21.412 1.00 1.15 H new ATOM 0 HG2 GLU A 13 -13.805 1.456 -19.794 1.00 1.58 H new ATOM 0 HG3 GLU A 13 -15.061 2.323 -20.655 1.00 1.58 H new ATOM 195 N SER A 14 -13.880 3.748 -22.414 1.00 1.27 N ATOM 196 CA SER A 14 -14.472 5.030 -22.748 1.00 1.50 C ATOM 197 C SER A 14 -14.023 5.503 -24.127 1.00 1.59 C ATOM 198 O SER A 14 -14.712 6.287 -24.775 1.00 1.85 O ATOM 199 CB SER A 14 -14.072 6.051 -21.692 1.00 1.61 C ATOM 200 OG SER A 14 -14.468 5.627 -20.401 1.00 2.31 O ATOM 0 H SER A 14 -13.232 3.782 -21.627 1.00 1.27 H new ATOM 0 HA SER A 14 -15.556 4.921 -22.770 1.00 1.50 H new ATOM 0 HB2 SER A 14 -12.992 6.199 -21.715 1.00 1.61 H new ATOM 0 HB3 SER A 14 -14.531 7.013 -21.919 1.00 1.61 H new ATOM 0 HG SER A 14 -14.982 6.339 -19.966 1.00 2.31 H new ATOM 206 N GLY A 15 -12.871 5.015 -24.577 1.00 1.50 N ATOM 207 CA GLY A 15 -12.362 5.414 -25.873 1.00 1.67 C ATOM 208 C GLY A 15 -11.038 6.143 -25.780 1.00 1.66 C ATOM 209 O GLY A 15 -10.925 7.293 -26.205 1.00 1.86 O ATOM 0 H GLY A 15 -12.284 4.353 -24.069 1.00 1.50 H new ATOM 0 HA2 GLY A 15 -12.243 4.530 -26.500 1.00 1.67 H new ATOM 0 HA3 GLY A 15 -13.093 6.057 -26.364 1.00 1.67 H new ATOM 213 N ARG A 16 -10.040 5.487 -25.198 1.00 1.69 N ATOM 214 CA ARG A 16 -8.702 6.060 -25.114 1.00 1.95 C ATOM 215 C ARG A 16 -8.074 6.161 -26.503 1.00 1.94 C ATOM 216 O ARG A 16 -7.576 5.179 -27.041 1.00 1.95 O ATOM 217 CB ARG A 16 -7.810 5.207 -24.208 1.00 2.42 C ATOM 218 CG ARG A 16 -8.108 5.361 -22.725 1.00 2.50 C ATOM 219 CD ARG A 16 -7.457 6.608 -22.150 1.00 2.87 C ATOM 220 NE ARG A 16 -5.997 6.528 -22.211 1.00 3.47 N ATOM 221 CZ ARG A 16 -5.187 7.586 -22.204 1.00 4.27 C ATOM 222 NH1 ARG A 16 -5.696 8.810 -22.129 1.00 4.62 N ATOM 223 NH2 ARG A 16 -3.870 7.417 -22.280 1.00 5.03 N ATOM 0 H ARG A 16 -10.132 4.562 -24.779 1.00 1.69 H new ATOM 0 HA ARG A 16 -8.788 7.060 -24.690 1.00 1.95 H new ATOM 0 HB2 ARG A 16 -7.925 4.159 -24.484 1.00 2.42 H new ATOM 0 HB3 ARG A 16 -6.768 5.471 -24.388 1.00 2.42 H new ATOM 0 HG2 ARG A 16 -9.186 5.410 -22.573 1.00 2.50 H new ATOM 0 HG3 ARG A 16 -7.750 4.482 -22.188 1.00 2.50 H new ATOM 0 HD2 ARG A 16 -7.798 7.485 -22.701 1.00 2.87 H new ATOM 0 HD3 ARG A 16 -7.772 6.740 -21.115 1.00 2.87 H new ATOM 0 HE ARG A 16 -5.572 5.602 -22.262 1.00 3.47 H new ATOM 0 HH11 ARG A 16 -6.706 8.940 -22.077 1.00 4.62 H new ATOM 0 HH12 ARG A 16 -5.077 9.620 -22.124 1.00 4.62 H new ATOM 0 HH21 ARG A 16 -3.479 6.477 -22.344 1.00 5.03 H new ATOM 0 HH22 ARG A 16 -3.251 8.227 -22.275 1.00 5.03 H new ATOM 237 N ALA A 17 -8.135 7.350 -27.081 1.00 2.02 N ATOM 238 CA ALA A 17 -7.502 7.613 -28.369 1.00 2.12 C ATOM 239 C ALA A 17 -6.037 7.998 -28.192 1.00 2.12 C ATOM 240 O ALA A 17 -5.253 7.947 -29.136 1.00 2.20 O ATOM 241 CB ALA A 17 -8.255 8.704 -29.117 1.00 2.37 C ATOM 0 H ALA A 17 -8.618 8.153 -26.679 1.00 2.02 H new ATOM 0 HA ALA A 17 -7.539 6.697 -28.958 1.00 2.12 H new ATOM 0 HB1 ALA A 17 -7.770 8.889 -30.076 1.00 2.37 H new ATOM 0 HB2 ALA A 17 -9.284 8.386 -29.286 1.00 2.37 H new ATOM 0 HB3 ALA A 17 -8.251 9.620 -28.526 1.00 2.37 H new ATOM 247 N ALA A 18 -5.677 8.381 -26.974 1.00 2.11 N ATOM 248 CA ALA A 18 -4.329 8.859 -26.689 1.00 2.25 C ATOM 249 C ALA A 18 -3.315 7.729 -26.794 1.00 2.18 C ATOM 250 O ALA A 18 -2.202 7.923 -27.280 1.00 2.38 O ATOM 251 CB ALA A 18 -4.286 9.498 -25.312 1.00 2.35 C ATOM 0 H ALA A 18 -6.300 8.370 -26.166 1.00 2.11 H new ATOM 0 HA ALA A 18 -4.063 9.611 -27.432 1.00 2.25 H new ATOM 0 HB1 ALA A 18 -3.276 9.852 -25.107 1.00 2.35 H new ATOM 0 HB2 ALA A 18 -4.979 10.339 -25.279 1.00 2.35 H new ATOM 0 HB3 ALA A 18 -4.572 8.762 -24.560 1.00 2.35 H new ATOM 257 N CYS A 19 -3.709 6.547 -26.353 1.00 1.97 N ATOM 258 CA CYS A 19 -2.865 5.373 -26.476 1.00 1.94 C ATOM 259 C CYS A 19 -3.634 4.293 -27.215 1.00 1.77 C ATOM 260 O CYS A 19 -4.774 3.999 -26.858 1.00 1.77 O ATOM 261 CB CYS A 19 -2.450 4.869 -25.094 1.00 2.16 C ATOM 262 SG CYS A 19 -1.598 6.103 -24.086 1.00 2.75 S ATOM 0 H CYS A 19 -4.610 6.375 -25.906 1.00 1.97 H new ATOM 0 HA CYS A 19 -1.963 5.630 -27.031 1.00 1.94 H new ATOM 0 HB2 CYS A 19 -3.338 4.530 -24.561 1.00 2.16 H new ATOM 0 HB3 CYS A 19 -1.800 4.002 -25.215 1.00 2.16 H new ATOM 0 HG CYS A 19 -1.289 5.584 -22.935 1.00 2.75 H new ATOM 268 N VAL A 20 -3.019 3.696 -28.228 1.00 1.71 N ATOM 269 CA VAL A 20 -3.711 2.715 -29.045 1.00 1.67 C ATOM 270 C VAL A 20 -2.714 1.862 -29.841 1.00 1.62 C ATOM 271 O VAL A 20 -1.614 2.315 -30.169 1.00 1.57 O ATOM 272 CB VAL A 20 -4.715 3.420 -29.990 1.00 1.72 C ATOM 273 CG1 VAL A 20 -4.008 4.130 -31.131 1.00 1.74 C ATOM 274 CG2 VAL A 20 -5.750 2.445 -30.514 1.00 1.88 C ATOM 0 H VAL A 20 -2.052 3.873 -28.500 1.00 1.71 H new ATOM 0 HA VAL A 20 -4.266 2.047 -28.387 1.00 1.67 H new ATOM 0 HB VAL A 20 -5.233 4.179 -29.404 1.00 1.72 H new ATOM 0 HG11 VAL A 20 -4.746 4.612 -31.772 1.00 1.74 H new ATOM 0 HG12 VAL A 20 -3.331 4.883 -30.727 1.00 1.74 H new ATOM 0 HG13 VAL A 20 -3.439 3.405 -31.714 1.00 1.74 H new ATOM 0 HG21 VAL A 20 -6.441 2.968 -31.175 1.00 1.88 H new ATOM 0 HG22 VAL A 20 -5.252 1.648 -31.067 1.00 1.88 H new ATOM 0 HG23 VAL A 20 -6.302 2.016 -29.678 1.00 1.88 H new ATOM 284 N ASN A 21 -3.091 0.619 -30.118 1.00 1.71 N ATOM 285 CA ASN A 21 -2.223 -0.296 -30.851 1.00 1.70 C ATOM 286 C ASN A 21 -2.756 -0.530 -32.258 1.00 1.72 C ATOM 287 O ASN A 21 -2.024 -0.419 -33.236 1.00 2.62 O ATOM 288 CB ASN A 21 -2.090 -1.627 -30.107 1.00 1.73 C ATOM 289 CG ASN A 21 -1.306 -1.493 -28.812 1.00 2.10 C ATOM 290 OD1 ASN A 21 -0.414 -0.654 -28.695 1.00 2.71 O ATOM 291 ND2 ASN A 21 -1.628 -2.321 -27.831 1.00 2.48 N ATOM 0 H ASN A 21 -3.990 0.222 -29.847 1.00 1.71 H new ATOM 0 HA ASN A 21 -1.236 0.160 -30.925 1.00 1.70 H new ATOM 0 HB2 ASN A 21 -3.084 -2.018 -29.888 1.00 1.73 H new ATOM 0 HB3 ASN A 21 -1.597 -2.353 -30.753 1.00 1.73 H new ATOM 0 HD21 ASN A 21 -1.131 -2.276 -26.942 1.00 2.48 H new ATOM 0 HD22 ASN A 21 -2.374 -3.004 -27.964 1.00 2.48 H new ATOM 298 N ALA A 22 -4.039 -0.855 -32.356 1.00 1.05 N ATOM 299 CA ALA A 22 -4.675 -1.031 -33.653 1.00 0.99 C ATOM 300 C ALA A 22 -5.235 0.299 -34.145 1.00 1.10 C ATOM 301 O ALA A 22 -5.420 1.225 -33.358 1.00 1.95 O ATOM 302 CB ALA A 22 -5.781 -2.074 -33.577 1.00 0.96 C ATOM 0 H ALA A 22 -4.656 -1.001 -31.557 1.00 1.05 H new ATOM 0 HA ALA A 22 -3.924 -1.383 -34.360 1.00 0.99 H new ATOM 0 HB1 ALA A 22 -6.242 -2.188 -34.558 1.00 0.96 H new ATOM 0 HB2 ALA A 22 -5.360 -3.028 -33.261 1.00 0.96 H new ATOM 0 HB3 ALA A 22 -6.535 -1.753 -32.858 1.00 0.96 H new ATOM 308 N VAL A 23 -5.507 0.397 -35.438 1.00 0.94 N ATOM 309 CA VAL A 23 -6.034 1.633 -36.007 1.00 0.99 C ATOM 310 C VAL A 23 -7.519 1.802 -35.669 1.00 1.04 C ATOM 311 O VAL A 23 -8.388 1.401 -36.447 1.00 1.72 O ATOM 312 CB VAL A 23 -5.834 1.690 -37.538 1.00 1.12 C ATOM 313 CG1 VAL A 23 -6.224 3.056 -38.083 1.00 1.60 C ATOM 314 CG2 VAL A 23 -4.390 1.363 -37.894 1.00 1.68 C ATOM 0 H VAL A 23 -5.373 -0.358 -36.111 1.00 0.94 H new ATOM 0 HA VAL A 23 -5.473 2.454 -35.561 1.00 0.99 H new ATOM 0 HB VAL A 23 -6.483 0.945 -37.998 1.00 1.12 H new ATOM 0 HG11 VAL A 23 -6.075 3.073 -39.163 1.00 1.60 H new ATOM 0 HG12 VAL A 23 -7.272 3.252 -37.858 1.00 1.60 H new ATOM 0 HG13 VAL A 23 -5.604 3.823 -37.619 1.00 1.60 H new ATOM 0 HG21 VAL A 23 -4.263 1.407 -38.976 1.00 1.68 H new ATOM 0 HG22 VAL A 23 -3.726 2.087 -37.421 1.00 1.68 H new ATOM 0 HG23 VAL A 23 -4.146 0.361 -37.540 1.00 1.68 H new ATOM 324 N ARG A 24 -7.779 2.359 -34.471 1.00 0.69 N ATOM 325 CA ARG A 24 -9.133 2.665 -33.961 1.00 0.69 C ATOM 326 C ARG A 24 -10.134 1.519 -34.160 1.00 0.61 C ATOM 327 O ARG A 24 -11.345 1.732 -34.152 1.00 0.84 O ATOM 328 CB ARG A 24 -9.669 3.989 -34.556 1.00 0.85 C ATOM 329 CG ARG A 24 -9.654 4.082 -36.078 1.00 0.94 C ATOM 330 CD ARG A 24 -10.813 3.328 -36.724 1.00 1.08 C ATOM 331 NE ARG A 24 -10.692 3.275 -38.182 1.00 1.57 N ATOM 332 CZ ARG A 24 -11.640 3.664 -39.035 1.00 2.12 C ATOM 333 NH1 ARG A 24 -12.800 4.128 -38.587 1.00 2.44 N ATOM 334 NH2 ARG A 24 -11.427 3.572 -40.341 1.00 2.92 N ATOM 0 H ARG A 24 -7.040 2.615 -33.816 1.00 0.69 H new ATOM 0 HA ARG A 24 -9.029 2.788 -32.883 1.00 0.69 H new ATOM 0 HB2 ARG A 24 -10.693 4.133 -34.211 1.00 0.85 H new ATOM 0 HB3 ARG A 24 -9.079 4.812 -34.154 1.00 0.85 H new ATOM 0 HG2 ARG A 24 -9.697 5.130 -36.375 1.00 0.94 H new ATOM 0 HG3 ARG A 24 -8.712 3.683 -36.453 1.00 0.94 H new ATOM 0 HD2 ARG A 24 -10.851 2.314 -36.327 1.00 1.08 H new ATOM 0 HD3 ARG A 24 -11.753 3.811 -36.456 1.00 1.08 H new ATOM 0 HE ARG A 24 -9.821 2.915 -38.573 1.00 1.57 H new ATOM 0 HH11 ARG A 24 -12.971 4.189 -37.583 1.00 2.44 H new ATOM 0 HH12 ARG A 24 -13.520 4.424 -39.246 1.00 2.44 H new ATOM 0 HH21 ARG A 24 -10.541 3.205 -40.689 1.00 2.92 H new ATOM 0 HH22 ARG A 24 -12.149 3.868 -40.998 1.00 2.92 H new ATOM 348 N GLN A 25 -9.628 0.301 -34.283 1.00 0.44 N ATOM 349 CA GLN A 25 -10.477 -0.843 -34.559 1.00 0.43 C ATOM 350 C GLN A 25 -10.627 -1.720 -33.322 1.00 0.37 C ATOM 351 O GLN A 25 -9.881 -2.685 -33.133 1.00 0.49 O ATOM 352 CB GLN A 25 -9.901 -1.649 -35.727 1.00 0.48 C ATOM 353 CG GLN A 25 -10.809 -2.766 -36.230 1.00 0.64 C ATOM 354 CD GLN A 25 -12.119 -2.279 -36.831 1.00 0.76 C ATOM 355 OE1 GLN A 25 -12.660 -1.249 -36.438 1.00 1.28 O ATOM 356 NE2 GLN A 25 -12.652 -3.042 -37.773 1.00 1.34 N ATOM 0 H GLN A 25 -8.636 0.082 -34.196 1.00 0.44 H new ATOM 0 HA GLN A 25 -11.468 -0.483 -34.834 1.00 0.43 H new ATOM 0 HB2 GLN A 25 -9.690 -0.969 -36.553 1.00 0.48 H new ATOM 0 HB3 GLN A 25 -8.949 -2.082 -35.419 1.00 0.48 H new ATOM 0 HG2 GLN A 25 -10.271 -3.347 -36.980 1.00 0.64 H new ATOM 0 HG3 GLN A 25 -11.030 -3.440 -35.403 1.00 0.64 H new ATOM 0 HE21 GLN A 25 -12.173 -3.891 -38.074 1.00 1.34 H new ATOM 0 HE22 GLN A 25 -13.542 -2.781 -38.198 1.00 1.34 H new ATOM 365 N LYS A 26 -11.575 -1.363 -32.464 1.00 0.26 N ATOM 366 CA LYS A 26 -11.867 -2.173 -31.293 1.00 0.21 C ATOM 367 C LYS A 26 -12.998 -3.140 -31.596 1.00 0.24 C ATOM 368 O LYS A 26 -13.991 -2.779 -32.224 1.00 0.43 O ATOM 369 CB LYS A 26 -12.243 -1.321 -30.073 1.00 0.30 C ATOM 370 CG LYS A 26 -11.157 -0.363 -29.609 1.00 0.69 C ATOM 371 CD LYS A 26 -11.422 0.127 -28.190 1.00 1.08 C ATOM 372 CE LYS A 26 -12.809 0.740 -28.049 1.00 1.59 C ATOM 373 NZ LYS A 26 -13.108 1.120 -26.644 1.00 2.11 N ATOM 0 H LYS A 26 -12.149 -0.525 -32.557 1.00 0.26 H new ATOM 0 HA LYS A 26 -10.957 -2.722 -31.050 1.00 0.21 H new ATOM 0 HB2 LYS A 26 -13.139 -0.747 -30.310 1.00 0.30 H new ATOM 0 HB3 LYS A 26 -12.500 -1.985 -29.248 1.00 0.30 H new ATOM 0 HG2 LYS A 26 -10.188 -0.861 -29.649 1.00 0.69 H new ATOM 0 HG3 LYS A 26 -11.106 0.489 -30.287 1.00 0.69 H new ATOM 0 HD2 LYS A 26 -11.321 -0.706 -27.494 1.00 1.08 H new ATOM 0 HD3 LYS A 26 -10.669 0.866 -27.915 1.00 1.08 H new ATOM 0 HE2 LYS A 26 -12.883 1.621 -28.687 1.00 1.59 H new ATOM 0 HE3 LYS A 26 -13.557 0.029 -28.400 1.00 1.59 H new ATOM 0 HZ1 LYS A 26 -14.118 0.964 -26.449 1.00 2.11 H new ATOM 0 HZ2 LYS A 26 -12.537 0.539 -25.998 1.00 2.11 H new ATOM 0 HZ3 LYS A 26 -12.879 2.124 -26.500 1.00 2.11 H new ATOM 387 N LYS A 27 -12.818 -4.377 -31.186 1.00 0.12 N ATOM 388 CA LYS A 27 -13.854 -5.386 -31.288 1.00 0.12 C ATOM 389 C LYS A 27 -14.217 -5.891 -29.904 1.00 0.13 C ATOM 390 O LYS A 27 -13.370 -5.939 -29.017 1.00 0.19 O ATOM 391 CB LYS A 27 -13.373 -6.542 -32.161 1.00 0.14 C ATOM 392 CG LYS A 27 -13.210 -6.162 -33.617 1.00 0.19 C ATOM 393 CD LYS A 27 -14.546 -5.837 -34.266 1.00 0.28 C ATOM 394 CE LYS A 27 -14.395 -4.771 -35.336 1.00 0.44 C ATOM 395 NZ LYS A 27 -14.624 -3.404 -34.793 1.00 1.27 N ATOM 0 H LYS A 27 -11.949 -4.713 -30.772 1.00 0.12 H new ATOM 0 HA LYS A 27 -14.739 -4.945 -31.747 1.00 0.12 H new ATOM 0 HB2 LYS A 27 -12.419 -6.906 -31.778 1.00 0.14 H new ATOM 0 HB3 LYS A 27 -14.082 -7.366 -32.084 1.00 0.14 H new ATOM 0 HG2 LYS A 27 -12.548 -5.300 -33.696 1.00 0.19 H new ATOM 0 HG3 LYS A 27 -12.733 -6.981 -34.156 1.00 0.19 H new ATOM 0 HD2 LYS A 27 -14.968 -6.740 -34.707 1.00 0.28 H new ATOM 0 HD3 LYS A 27 -15.248 -5.495 -33.506 1.00 0.28 H new ATOM 0 HE2 LYS A 27 -13.395 -4.828 -35.767 1.00 0.44 H new ATOM 0 HE3 LYS A 27 -15.101 -4.964 -36.143 1.00 0.44 H new ATOM 0 HZ1 LYS A 27 -14.349 -2.697 -35.504 1.00 1.27 H new ATOM 0 HZ2 LYS A 27 -15.631 -3.287 -34.560 1.00 1.27 H new ATOM 0 HZ3 LYS A 27 -14.053 -3.271 -33.934 1.00 1.27 H new ATOM 409 N ARG A 28 -15.471 -6.251 -29.715 1.00 0.10 N ATOM 410 CA ARG A 28 -15.910 -6.771 -28.432 1.00 0.12 C ATOM 411 C ARG A 28 -16.525 -8.151 -28.596 1.00 0.09 C ATOM 412 O ARG A 28 -17.354 -8.376 -29.480 1.00 0.15 O ATOM 413 CB ARG A 28 -16.890 -5.811 -27.749 1.00 0.19 C ATOM 414 CG ARG A 28 -16.263 -4.469 -27.411 1.00 0.29 C ATOM 415 CD ARG A 28 -16.911 -3.828 -26.193 1.00 0.29 C ATOM 416 NE ARG A 28 -18.200 -3.211 -26.496 1.00 0.74 N ATOM 417 CZ ARG A 28 -18.689 -2.160 -25.837 1.00 1.15 C ATOM 418 NH1 ARG A 28 -17.952 -1.538 -24.918 1.00 1.40 N ATOM 419 NH2 ARG A 28 -19.897 -1.701 -26.135 1.00 1.65 N ATOM 0 H ARG A 28 -16.200 -6.194 -30.426 1.00 0.10 H new ATOM 0 HA ARG A 28 -15.035 -6.861 -27.788 1.00 0.12 H new ATOM 0 HB2 ARG A 28 -17.749 -5.651 -28.401 1.00 0.19 H new ATOM 0 HB3 ARG A 28 -17.265 -6.272 -26.835 1.00 0.19 H new ATOM 0 HG2 ARG A 28 -15.197 -4.603 -27.226 1.00 0.29 H new ATOM 0 HG3 ARG A 28 -16.357 -3.799 -28.266 1.00 0.29 H new ATOM 0 HD2 ARG A 28 -17.048 -4.584 -25.420 1.00 0.29 H new ATOM 0 HD3 ARG A 28 -16.239 -3.073 -25.785 1.00 0.29 H new ATOM 0 HE ARG A 28 -18.757 -3.606 -27.254 1.00 0.74 H new ATOM 0 HH11 ARG A 28 -17.007 -1.865 -24.715 1.00 1.40 H new ATOM 0 HH12 ARG A 28 -18.332 -0.735 -24.418 1.00 1.40 H new ATOM 0 HH21 ARG A 28 -20.448 -2.152 -26.866 1.00 1.65 H new ATOM 0 HH22 ARG A 28 -20.275 -0.897 -25.634 1.00 1.65 H new ATOM 433 N ALA A 29 -16.097 -9.069 -27.745 1.00 0.08 N ATOM 434 CA ALA A 29 -16.528 -10.452 -27.815 1.00 0.07 C ATOM 435 C ALA A 29 -16.338 -11.114 -26.463 1.00 0.06 C ATOM 436 O ALA A 29 -15.880 -10.483 -25.510 1.00 0.08 O ATOM 437 CB ALA A 29 -15.768 -11.207 -28.900 1.00 0.08 C ATOM 0 H ALA A 29 -15.442 -8.875 -26.988 1.00 0.08 H new ATOM 0 HA ALA A 29 -17.586 -10.477 -28.077 1.00 0.07 H new ATOM 0 HB1 ALA A 29 -16.110 -12.241 -28.931 1.00 0.08 H new ATOM 0 HB2 ALA A 29 -15.949 -10.736 -29.866 1.00 0.08 H new ATOM 0 HB3 ALA A 29 -14.701 -11.185 -28.679 1.00 0.08 H new ATOM 443 N THR A 30 -16.692 -12.375 -26.371 1.00 0.06 N ATOM 444 CA THR A 30 -16.585 -13.099 -25.124 1.00 0.06 C ATOM 445 C THR A 30 -15.375 -14.022 -25.158 1.00 0.06 C ATOM 446 O THR A 30 -15.026 -14.559 -26.215 1.00 0.08 O ATOM 447 CB THR A 30 -17.853 -13.928 -24.871 1.00 0.08 C ATOM 448 OG1 THR A 30 -18.893 -13.505 -25.764 1.00 0.14 O ATOM 449 CG2 THR A 30 -18.327 -13.773 -23.438 1.00 0.11 C ATOM 0 H THR A 30 -17.059 -12.924 -27.149 1.00 0.06 H new ATOM 0 HA THR A 30 -16.468 -12.376 -24.317 1.00 0.06 H new ATOM 0 HB THR A 30 -17.616 -14.977 -25.047 1.00 0.08 H new ATOM 0 HG1 THR A 30 -19.700 -14.037 -25.602 1.00 0.14 H new ATOM 0 HG21 THR A 30 -19.226 -14.370 -23.286 1.00 0.11 H new ATOM 0 HG22 THR A 30 -17.546 -14.113 -22.758 1.00 0.11 H new ATOM 0 HG23 THR A 30 -18.550 -12.725 -23.240 1.00 0.11 H new ATOM 457 N VAL A 31 -14.719 -14.176 -24.019 1.00 0.08 N ATOM 458 CA VAL A 31 -13.594 -15.101 -23.908 1.00 0.10 C ATOM 459 C VAL A 31 -14.060 -16.528 -24.125 1.00 0.11 C ATOM 460 O VAL A 31 -14.968 -17.009 -23.443 1.00 0.14 O ATOM 461 CB VAL A 31 -12.907 -15.015 -22.528 1.00 0.11 C ATOM 462 CG1 VAL A 31 -11.678 -15.917 -22.473 1.00 0.14 C ATOM 463 CG2 VAL A 31 -12.531 -13.584 -22.201 1.00 0.13 C ATOM 0 H VAL A 31 -14.942 -13.676 -23.159 1.00 0.08 H new ATOM 0 HA VAL A 31 -12.875 -14.815 -24.675 1.00 0.10 H new ATOM 0 HB VAL A 31 -13.618 -15.362 -21.778 1.00 0.11 H new ATOM 0 HG11 VAL A 31 -11.212 -15.838 -21.491 1.00 0.14 H new ATOM 0 HG12 VAL A 31 -11.977 -16.950 -22.651 1.00 0.14 H new ATOM 0 HG13 VAL A 31 -10.966 -15.608 -23.238 1.00 0.14 H new ATOM 0 HG21 VAL A 31 -12.049 -13.549 -21.224 1.00 0.13 H new ATOM 0 HG22 VAL A 31 -11.845 -13.206 -22.959 1.00 0.13 H new ATOM 0 HG23 VAL A 31 -13.429 -12.966 -22.185 1.00 0.13 H new ATOM 473 N ASP A 32 -13.440 -17.194 -25.081 1.00 0.12 N ATOM 474 CA ASP A 32 -13.729 -18.589 -25.362 1.00 0.15 C ATOM 475 C ASP A 32 -13.013 -19.480 -24.360 1.00 0.15 C ATOM 476 O ASP A 32 -13.620 -20.363 -23.748 1.00 0.19 O ATOM 477 CB ASP A 32 -13.293 -18.955 -26.787 1.00 0.21 C ATOM 478 CG ASP A 32 -13.245 -20.457 -27.008 1.00 0.34 C ATOM 479 OD1 ASP A 32 -12.135 -21.034 -26.988 1.00 0.46 O ATOM 480 OD2 ASP A 32 -14.318 -21.067 -27.194 1.00 0.60 O ATOM 0 H ASP A 32 -12.725 -16.786 -25.683 1.00 0.12 H new ATOM 0 HA ASP A 32 -14.805 -18.742 -25.276 1.00 0.15 H new ATOM 0 HB2 ASP A 32 -13.983 -18.507 -27.502 1.00 0.21 H new ATOM 0 HB3 ASP A 32 -12.309 -18.530 -26.984 1.00 0.21 H new ATOM 485 N SER A 33 -11.728 -19.213 -24.170 1.00 0.14 N ATOM 486 CA SER A 33 -10.884 -20.035 -23.315 1.00 0.18 C ATOM 487 C SER A 33 -9.664 -19.238 -22.862 1.00 0.13 C ATOM 488 O SER A 33 -9.374 -18.174 -23.408 1.00 0.14 O ATOM 489 CB SER A 33 -10.422 -21.294 -24.062 1.00 0.27 C ATOM 490 OG SER A 33 -11.519 -22.051 -24.554 1.00 1.07 O ATOM 0 H SER A 33 -11.244 -18.426 -24.601 1.00 0.14 H new ATOM 0 HA SER A 33 -11.467 -20.334 -22.444 1.00 0.18 H new ATOM 0 HB2 SER A 33 -9.777 -21.007 -24.893 1.00 0.27 H new ATOM 0 HB3 SER A 33 -9.824 -21.914 -23.394 1.00 0.27 H new ATOM 0 HG SER A 33 -11.697 -21.802 -25.485 1.00 1.07 H new ATOM 496 N ILE A 34 -8.962 -19.750 -21.863 1.00 0.16 N ATOM 497 CA ILE A 34 -7.732 -19.134 -21.383 1.00 0.14 C ATOM 498 C ILE A 34 -6.708 -20.213 -21.038 1.00 0.16 C ATOM 499 O ILE A 34 -7.004 -21.159 -20.305 1.00 0.19 O ATOM 500 CB ILE A 34 -7.995 -18.195 -20.171 1.00 0.16 C ATOM 501 CG1 ILE A 34 -8.358 -16.788 -20.671 1.00 0.14 C ATOM 502 CG2 ILE A 34 -6.794 -18.136 -19.233 1.00 0.19 C ATOM 503 CD1 ILE A 34 -8.735 -15.800 -19.577 1.00 0.17 C ATOM 0 H ILE A 34 -9.226 -20.599 -21.364 1.00 0.16 H new ATOM 0 HA ILE A 34 -7.327 -18.513 -22.182 1.00 0.14 H new ATOM 0 HB ILE A 34 -8.831 -18.602 -19.603 1.00 0.16 H new ATOM 0 HG12 ILE A 34 -7.512 -16.386 -21.228 1.00 0.14 H new ATOM 0 HG13 ILE A 34 -9.190 -16.870 -21.370 1.00 0.14 H new ATOM 0 HG21 ILE A 34 -7.016 -17.470 -18.399 1.00 0.19 H new ATOM 0 HG22 ILE A 34 -6.580 -19.135 -18.853 1.00 0.19 H new ATOM 0 HG23 ILE A 34 -5.926 -17.761 -19.776 1.00 0.19 H new ATOM 0 HD11 ILE A 34 -8.975 -14.836 -20.025 1.00 0.17 H new ATOM 0 HD12 ILE A 34 -9.602 -16.173 -19.033 1.00 0.17 H new ATOM 0 HD13 ILE A 34 -7.898 -15.682 -18.889 1.00 0.17 H new ATOM 515 N LYS A 35 -5.520 -20.076 -21.614 1.00 0.17 N ATOM 516 CA LYS A 35 -4.432 -21.018 -21.411 1.00 0.21 C ATOM 517 C LYS A 35 -3.281 -20.344 -20.670 1.00 0.20 C ATOM 518 O LYS A 35 -2.368 -19.806 -21.298 1.00 0.22 O ATOM 519 CB LYS A 35 -3.917 -21.542 -22.753 1.00 0.24 C ATOM 520 CG LYS A 35 -4.909 -22.416 -23.489 1.00 0.34 C ATOM 521 CD LYS A 35 -5.155 -23.716 -22.745 1.00 0.47 C ATOM 522 CE LYS A 35 -6.212 -24.550 -23.434 1.00 0.64 C ATOM 523 NZ LYS A 35 -5.798 -24.965 -24.803 1.00 1.56 N ATOM 0 H LYS A 35 -5.285 -19.304 -22.238 1.00 0.17 H new ATOM 0 HA LYS A 35 -4.813 -21.850 -20.819 1.00 0.21 H new ATOM 0 HB2 LYS A 35 -3.654 -20.695 -23.386 1.00 0.24 H new ATOM 0 HB3 LYS A 35 -3.002 -22.110 -22.584 1.00 0.24 H new ATOM 0 HG2 LYS A 35 -5.850 -21.880 -23.610 1.00 0.34 H new ATOM 0 HG3 LYS A 35 -4.535 -22.632 -24.490 1.00 0.34 H new ATOM 0 HD2 LYS A 35 -4.226 -24.283 -22.681 1.00 0.47 H new ATOM 0 HD3 LYS A 35 -5.468 -23.500 -21.723 1.00 0.47 H new ATOM 0 HE2 LYS A 35 -6.420 -25.437 -22.835 1.00 0.64 H new ATOM 0 HE3 LYS A 35 -7.140 -23.981 -23.494 1.00 0.64 H new ATOM 0 HZ1 LYS A 35 -6.470 -25.668 -25.171 1.00 1.56 H new ATOM 0 HZ2 LYS A 35 -5.788 -24.135 -25.429 1.00 1.56 H new ATOM 0 HZ3 LYS A 35 -4.846 -25.382 -24.766 1.00 1.56 H new ATOM 537 N GLY A 36 -3.337 -20.345 -19.346 1.00 0.25 N ATOM 538 CA GLY A 36 -2.282 -19.726 -18.560 1.00 0.28 C ATOM 539 C GLY A 36 -2.193 -18.223 -18.769 1.00 0.24 C ATOM 540 O GLY A 36 -3.038 -17.472 -18.286 1.00 0.29 O ATOM 0 H GLY A 36 -4.091 -20.762 -18.800 1.00 0.25 H new ATOM 0 HA2 GLY A 36 -2.455 -19.931 -17.504 1.00 0.28 H new ATOM 0 HA3 GLY A 36 -1.327 -20.181 -18.821 1.00 0.28 H new ATOM 544 N GLN A 37 -1.167 -17.786 -19.495 1.00 0.21 N ATOM 545 CA GLN A 37 -0.938 -16.363 -19.722 1.00 0.20 C ATOM 546 C GLN A 37 -1.586 -15.900 -21.017 1.00 0.17 C ATOM 547 O GLN A 37 -1.428 -14.750 -21.418 1.00 0.21 O ATOM 548 CB GLN A 37 0.562 -16.048 -19.779 1.00 0.24 C ATOM 549 CG GLN A 37 1.328 -16.448 -18.533 1.00 0.36 C ATOM 550 CD GLN A 37 0.903 -15.661 -17.305 1.00 1.27 C ATOM 551 OE1 GLN A 37 0.943 -16.166 -16.187 1.00 2.10 O ATOM 552 NE2 GLN A 37 0.505 -14.411 -17.501 1.00 1.94 N ATOM 0 H GLN A 37 -0.481 -18.398 -19.936 1.00 0.21 H new ATOM 0 HA GLN A 37 -1.389 -15.831 -18.884 1.00 0.20 H new ATOM 0 HB2 GLN A 37 0.997 -16.558 -20.639 1.00 0.24 H new ATOM 0 HB3 GLN A 37 0.691 -14.978 -19.944 1.00 0.24 H new ATOM 0 HG2 GLN A 37 1.180 -17.512 -18.347 1.00 0.36 H new ATOM 0 HG3 GLN A 37 2.394 -16.299 -18.704 1.00 0.36 H new ATOM 0 HE21 GLN A 37 0.485 -14.024 -18.445 1.00 1.94 H new ATOM 0 HE22 GLN A 37 0.219 -13.836 -16.708 1.00 1.94 H new ATOM 561 N PHE A 38 -2.315 -16.785 -21.675 1.00 0.13 N ATOM 562 CA PHE A 38 -2.895 -16.455 -22.962 1.00 0.11 C ATOM 563 C PHE A 38 -4.378 -16.729 -22.962 1.00 0.10 C ATOM 564 O PHE A 38 -4.837 -17.718 -22.406 1.00 0.12 O ATOM 565 CB PHE A 38 -2.213 -17.236 -24.088 1.00 0.13 C ATOM 566 CG PHE A 38 -0.766 -16.879 -24.258 1.00 0.18 C ATOM 567 CD1 PHE A 38 -0.390 -15.869 -25.131 1.00 0.21 C ATOM 568 CD2 PHE A 38 0.214 -17.540 -23.536 1.00 0.23 C ATOM 569 CE1 PHE A 38 0.938 -15.526 -25.276 1.00 0.28 C ATOM 570 CE2 PHE A 38 1.541 -17.202 -23.680 1.00 0.29 C ATOM 571 CZ PHE A 38 1.904 -16.194 -24.549 1.00 0.32 C ATOM 0 H PHE A 38 -2.517 -17.728 -21.342 1.00 0.13 H new ATOM 0 HA PHE A 38 -2.736 -15.391 -23.138 1.00 0.11 H new ATOM 0 HB2 PHE A 38 -2.296 -18.304 -23.884 1.00 0.13 H new ATOM 0 HB3 PHE A 38 -2.740 -17.048 -25.024 1.00 0.13 H new ATOM 0 HD1 PHE A 38 -1.143 -15.347 -25.702 1.00 0.21 H new ATOM 0 HD2 PHE A 38 -0.066 -18.329 -22.853 1.00 0.23 H new ATOM 0 HE1 PHE A 38 1.222 -14.737 -25.956 1.00 0.28 H new ATOM 0 HE2 PHE A 38 2.297 -17.725 -23.113 1.00 0.29 H new ATOM 0 HZ PHE A 38 2.944 -15.927 -24.661 1.00 0.32 H new ATOM 581 N GLY A 39 -5.120 -15.850 -23.583 1.00 0.09 N ATOM 582 CA GLY A 39 -6.544 -16.030 -23.669 1.00 0.09 C ATOM 583 C GLY A 39 -7.002 -16.108 -25.098 1.00 0.09 C ATOM 584 O GLY A 39 -6.279 -15.708 -26.007 1.00 0.11 O ATOM 0 H GLY A 39 -4.764 -15.007 -24.034 1.00 0.09 H new ATOM 0 HA2 GLY A 39 -6.829 -16.941 -23.144 1.00 0.09 H new ATOM 0 HA3 GLY A 39 -7.048 -15.203 -23.169 1.00 0.09 H new ATOM 588 N PHE A 40 -8.185 -16.647 -25.298 1.00 0.09 N ATOM 589 CA PHE A 40 -8.760 -16.761 -26.622 1.00 0.10 C ATOM 590 C PHE A 40 -10.194 -16.284 -26.592 1.00 0.10 C ATOM 591 O PHE A 40 -10.940 -16.600 -25.669 1.00 0.18 O ATOM 592 CB PHE A 40 -8.705 -18.212 -27.111 1.00 0.12 C ATOM 593 CG PHE A 40 -7.310 -18.766 -27.222 1.00 0.12 C ATOM 594 CD1 PHE A 40 -6.665 -19.287 -26.107 1.00 0.14 C ATOM 595 CD2 PHE A 40 -6.642 -18.763 -28.436 1.00 0.13 C ATOM 596 CE1 PHE A 40 -5.383 -19.792 -26.203 1.00 0.16 C ATOM 597 CE2 PHE A 40 -5.358 -19.270 -28.536 1.00 0.16 C ATOM 598 CZ PHE A 40 -4.728 -19.785 -27.415 1.00 0.17 C ATOM 0 H PHE A 40 -8.774 -17.017 -24.552 1.00 0.09 H new ATOM 0 HA PHE A 40 -8.183 -16.143 -27.310 1.00 0.10 H new ATOM 0 HB2 PHE A 40 -9.280 -18.837 -26.428 1.00 0.12 H new ATOM 0 HB3 PHE A 40 -9.189 -18.275 -28.086 1.00 0.12 H new ATOM 0 HD1 PHE A 40 -7.172 -19.297 -25.154 1.00 0.14 H new ATOM 0 HD2 PHE A 40 -7.128 -18.361 -29.313 1.00 0.13 H new ATOM 0 HE1 PHE A 40 -4.894 -20.193 -25.327 1.00 0.16 H new ATOM 0 HE2 PHE A 40 -4.847 -19.264 -29.488 1.00 0.16 H new ATOM 0 HZ PHE A 40 -3.726 -20.180 -27.491 1.00 0.17 H new ATOM 608 N LEU A 41 -10.574 -15.524 -27.594 1.00 0.10 N ATOM 609 CA LEU A 41 -11.909 -14.968 -27.658 1.00 0.09 C ATOM 610 C LEU A 41 -12.647 -15.560 -28.836 1.00 0.09 C ATOM 611 O LEU A 41 -12.024 -15.992 -29.809 1.00 0.13 O ATOM 612 CB LEU A 41 -11.841 -13.449 -27.794 1.00 0.09 C ATOM 613 CG LEU A 41 -10.772 -12.791 -26.932 1.00 0.15 C ATOM 614 CD1 LEU A 41 -10.385 -11.434 -27.483 1.00 0.59 C ATOM 615 CD2 LEU A 41 -11.269 -12.663 -25.509 1.00 0.53 C ATOM 0 H LEU A 41 -9.974 -15.275 -28.381 1.00 0.10 H new ATOM 0 HA LEU A 41 -12.442 -15.212 -26.739 1.00 0.09 H new ATOM 0 HB2 LEU A 41 -11.655 -13.197 -28.838 1.00 0.09 H new ATOM 0 HB3 LEU A 41 -12.812 -13.028 -27.532 1.00 0.09 H new ATOM 0 HG LEU A 41 -9.882 -13.420 -26.944 1.00 0.15 H new ATOM 0 HD11 LEU A 41 -9.620 -10.988 -26.847 1.00 0.59 H new ATOM 0 HD12 LEU A 41 -9.994 -11.550 -28.494 1.00 0.59 H new ATOM 0 HD13 LEU A 41 -11.262 -10.787 -27.505 1.00 0.59 H new ATOM 0 HD21 LEU A 41 -10.501 -12.192 -24.896 1.00 0.53 H new ATOM 0 HD22 LEU A 41 -12.172 -12.052 -25.492 1.00 0.53 H new ATOM 0 HD23 LEU A 41 -11.493 -13.653 -25.112 1.00 0.53 H new ATOM 627 N ASN A 42 -13.969 -15.589 -28.763 1.00 0.11 N ATOM 628 CA ASN A 42 -14.750 -16.137 -29.857 1.00 0.15 C ATOM 629 C ASN A 42 -14.838 -15.123 -30.986 1.00 0.14 C ATOM 630 O ASN A 42 -15.856 -14.459 -31.179 1.00 0.17 O ATOM 631 CB ASN A 42 -16.144 -16.576 -29.410 1.00 0.22 C ATOM 632 CG ASN A 42 -16.817 -17.453 -30.450 1.00 0.79 C ATOM 633 OD1 ASN A 42 -16.146 -18.163 -31.205 1.00 1.53 O ATOM 634 ND2 ASN A 42 -18.140 -17.425 -30.486 1.00 1.37 N ATOM 0 H ASN A 42 -14.514 -15.246 -27.972 1.00 0.11 H new ATOM 0 HA ASN A 42 -14.240 -17.031 -30.215 1.00 0.15 H new ATOM 0 HB2 ASN A 42 -16.070 -17.120 -28.468 1.00 0.22 H new ATOM 0 HB3 ASN A 42 -16.760 -15.696 -29.222 1.00 0.22 H new ATOM 0 HD21 ASN A 42 -18.644 -18.005 -31.156 1.00 1.37 H new ATOM 0 HD22 ASN A 42 -18.655 -16.823 -29.843 1.00 1.37 H new ATOM 641 N PHE A 43 -13.727 -14.973 -31.682 1.00 0.12 N ATOM 642 CA PHE A 43 -13.633 -14.087 -32.823 1.00 0.13 C ATOM 643 C PHE A 43 -12.791 -14.763 -33.887 1.00 0.16 C ATOM 644 O PHE A 43 -11.576 -14.895 -33.741 1.00 0.18 O ATOM 645 CB PHE A 43 -13.014 -12.738 -32.417 1.00 0.12 C ATOM 646 CG PHE A 43 -13.124 -11.672 -33.478 1.00 0.16 C ATOM 647 CD1 PHE A 43 -14.226 -10.831 -33.519 1.00 0.21 C ATOM 648 CD2 PHE A 43 -12.128 -11.506 -34.431 1.00 0.22 C ATOM 649 CE1 PHE A 43 -14.332 -9.849 -34.485 1.00 0.27 C ATOM 650 CE2 PHE A 43 -12.231 -10.526 -35.399 1.00 0.27 C ATOM 651 CZ PHE A 43 -13.333 -9.698 -35.426 1.00 0.28 C ATOM 0 H PHE A 43 -12.860 -15.466 -31.469 1.00 0.12 H new ATOM 0 HA PHE A 43 -14.630 -13.885 -33.214 1.00 0.13 H new ATOM 0 HB2 PHE A 43 -13.501 -12.384 -31.508 1.00 0.12 H new ATOM 0 HB3 PHE A 43 -11.962 -12.890 -32.176 1.00 0.12 H new ATOM 0 HD1 PHE A 43 -15.011 -10.945 -32.786 1.00 0.21 H new ATOM 0 HD2 PHE A 43 -11.262 -12.151 -34.415 1.00 0.22 H new ATOM 0 HE1 PHE A 43 -15.195 -9.200 -34.504 1.00 0.27 H new ATOM 0 HE2 PHE A 43 -11.449 -10.408 -36.134 1.00 0.27 H new ATOM 0 HZ PHE A 43 -13.415 -8.932 -36.183 1.00 0.28 H new ATOM 661 N GLU A 44 -13.446 -15.226 -34.934 1.00 0.23 N ATOM 662 CA GLU A 44 -12.780 -15.972 -35.986 1.00 0.30 C ATOM 663 C GLU A 44 -12.376 -15.053 -37.127 1.00 0.29 C ATOM 664 O GLU A 44 -13.209 -14.601 -37.913 1.00 0.39 O ATOM 665 CB GLU A 44 -13.688 -17.100 -36.451 1.00 0.44 C ATOM 666 CG GLU A 44 -13.810 -18.183 -35.394 1.00 0.60 C ATOM 667 CD GLU A 44 -15.032 -19.063 -35.545 1.00 1.14 C ATOM 668 OE1 GLU A 44 -15.014 -20.214 -35.065 1.00 1.81 O ATOM 669 OE2 GLU A 44 -16.001 -18.608 -36.189 1.00 1.57 O ATOM 0 H GLU A 44 -14.447 -15.097 -35.080 1.00 0.23 H new ATOM 0 HA GLU A 44 -11.860 -16.411 -35.600 1.00 0.30 H new ATOM 0 HB2 GLU A 44 -14.676 -16.702 -36.682 1.00 0.44 H new ATOM 0 HB3 GLU A 44 -13.294 -17.530 -37.372 1.00 0.44 H new ATOM 0 HG2 GLU A 44 -12.919 -18.810 -35.427 1.00 0.60 H new ATOM 0 HG3 GLU A 44 -13.833 -17.714 -34.410 1.00 0.60 H new ATOM 676 N VAL A 45 -11.084 -14.777 -37.186 1.00 0.30 N ATOM 677 CA VAL A 45 -10.525 -13.819 -38.123 1.00 0.38 C ATOM 678 C VAL A 45 -10.411 -14.399 -39.521 1.00 0.45 C ATOM 679 O VAL A 45 -11.225 -14.117 -40.399 1.00 0.58 O ATOM 680 CB VAL A 45 -9.130 -13.371 -37.666 1.00 0.44 C ATOM 681 CG1 VAL A 45 -8.586 -12.271 -38.568 1.00 0.85 C ATOM 682 CG2 VAL A 45 -9.158 -12.932 -36.217 1.00 0.71 C ATOM 0 H VAL A 45 -10.389 -15.215 -36.581 1.00 0.30 H new ATOM 0 HA VAL A 45 -11.205 -12.968 -38.148 1.00 0.38 H new ATOM 0 HB VAL A 45 -8.455 -14.223 -37.745 1.00 0.44 H new ATOM 0 HG11 VAL A 45 -7.597 -11.972 -38.221 1.00 0.85 H new ATOM 0 HG12 VAL A 45 -8.516 -12.641 -39.591 1.00 0.85 H new ATOM 0 HG13 VAL A 45 -9.256 -11.411 -38.538 1.00 0.85 H new ATOM 0 HG21 VAL A 45 -8.160 -12.618 -35.913 1.00 0.71 H new ATOM 0 HG22 VAL A 45 -9.851 -12.098 -36.103 1.00 0.71 H new ATOM 0 HG23 VAL A 45 -9.484 -13.763 -35.591 1.00 0.71 H new ATOM 692 N GLU A 46 -9.398 -15.222 -39.711 1.00 0.51 N ATOM 693 CA GLU A 46 -9.072 -15.750 -41.011 1.00 0.61 C ATOM 694 C GLU A 46 -9.346 -17.248 -41.062 1.00 0.62 C ATOM 695 O GLU A 46 -8.696 -18.029 -40.374 1.00 0.97 O ATOM 696 CB GLU A 46 -7.601 -15.435 -41.317 1.00 0.75 C ATOM 697 CG GLU A 46 -6.942 -16.418 -42.257 1.00 0.88 C ATOM 698 CD GLU A 46 -5.518 -16.034 -42.610 1.00 1.35 C ATOM 699 OE1 GLU A 46 -4.635 -16.153 -41.736 1.00 2.24 O ATOM 700 OE2 GLU A 46 -5.279 -15.632 -43.770 1.00 1.57 O ATOM 0 H GLU A 46 -8.780 -15.541 -38.964 1.00 0.51 H new ATOM 0 HA GLU A 46 -9.699 -15.283 -41.771 1.00 0.61 H new ATOM 0 HB2 GLU A 46 -7.537 -14.436 -41.749 1.00 0.75 H new ATOM 0 HB3 GLU A 46 -7.043 -15.414 -40.381 1.00 0.75 H new ATOM 0 HG2 GLU A 46 -6.943 -17.407 -41.799 1.00 0.88 H new ATOM 0 HG3 GLU A 46 -7.531 -16.489 -43.171 1.00 0.88 H new ATOM 707 N ASP A 47 -10.355 -17.635 -41.837 1.00 0.85 N ATOM 708 CA ASP A 47 -10.649 -19.051 -42.089 1.00 0.84 C ATOM 709 C ASP A 47 -10.990 -19.799 -40.794 1.00 0.83 C ATOM 710 O ASP A 47 -10.881 -21.021 -40.711 1.00 1.18 O ATOM 711 CB ASP A 47 -9.444 -19.701 -42.777 1.00 0.90 C ATOM 712 CG ASP A 47 -9.758 -21.069 -43.349 1.00 1.18 C ATOM 713 OD1 ASP A 47 -10.446 -21.131 -44.390 1.00 1.30 O ATOM 714 OD2 ASP A 47 -9.313 -22.082 -42.769 1.00 1.55 O ATOM 0 H ASP A 47 -10.989 -16.987 -42.306 1.00 0.85 H new ATOM 0 HA ASP A 47 -11.523 -19.111 -42.737 1.00 0.84 H new ATOM 0 HB2 ASP A 47 -9.094 -19.050 -43.578 1.00 0.90 H new ATOM 0 HB3 ASP A 47 -8.628 -19.791 -42.060 1.00 0.90 H new ATOM 719 N GLY A 48 -11.419 -19.061 -39.787 1.00 0.65 N ATOM 720 CA GLY A 48 -11.731 -19.674 -38.512 1.00 0.67 C ATOM 721 C GLY A 48 -10.591 -19.565 -37.516 1.00 0.58 C ATOM 722 O GLY A 48 -10.454 -20.405 -36.627 1.00 0.66 O ATOM 0 H GLY A 48 -11.558 -18.051 -39.826 1.00 0.65 H new ATOM 0 HA2 GLY A 48 -12.620 -19.201 -38.094 1.00 0.67 H new ATOM 0 HA3 GLY A 48 -11.972 -20.725 -38.668 1.00 0.67 H new ATOM 726 N LYS A 49 -9.770 -18.525 -37.655 1.00 0.48 N ATOM 727 CA LYS A 49 -8.674 -18.298 -36.723 1.00 0.44 C ATOM 728 C LYS A 49 -9.225 -17.690 -35.444 1.00 0.36 C ATOM 729 O LYS A 49 -9.684 -16.547 -35.450 1.00 0.35 O ATOM 730 CB LYS A 49 -7.618 -17.360 -37.335 1.00 0.50 C ATOM 731 CG LYS A 49 -6.648 -18.027 -38.303 1.00 0.71 C ATOM 732 CD LYS A 49 -5.713 -19.009 -37.615 1.00 0.93 C ATOM 733 CE LYS A 49 -4.722 -18.309 -36.693 1.00 1.41 C ATOM 734 NZ LYS A 49 -3.791 -19.278 -36.062 1.00 2.50 N ATOM 0 H LYS A 49 -9.844 -17.832 -38.400 1.00 0.48 H new ATOM 0 HA LYS A 49 -8.194 -19.252 -36.504 1.00 0.44 H new ATOM 0 HB2 LYS A 49 -8.130 -16.552 -37.857 1.00 0.50 H new ATOM 0 HB3 LYS A 49 -7.046 -16.905 -36.527 1.00 0.50 H new ATOM 0 HG2 LYS A 49 -7.213 -18.550 -39.074 1.00 0.71 H new ATOM 0 HG3 LYS A 49 -6.058 -17.260 -38.805 1.00 0.71 H new ATOM 0 HD2 LYS A 49 -6.300 -19.724 -37.039 1.00 0.93 H new ATOM 0 HD3 LYS A 49 -5.167 -19.577 -38.368 1.00 0.93 H new ATOM 0 HE2 LYS A 49 -4.153 -17.572 -37.260 1.00 1.41 H new ATOM 0 HE3 LYS A 49 -5.264 -17.766 -35.919 1.00 1.41 H new ATOM 0 HZ1 LYS A 49 -3.130 -18.770 -35.441 1.00 2.50 H new ATOM 0 HZ2 LYS A 49 -4.333 -19.966 -35.502 1.00 2.50 H new ATOM 0 HZ3 LYS A 49 -3.257 -19.778 -36.801 1.00 2.50 H new ATOM 748 N LYS A 50 -9.197 -18.454 -34.361 1.00 0.37 N ATOM 749 CA LYS A 50 -9.718 -17.981 -33.089 1.00 0.32 C ATOM 750 C LYS A 50 -8.727 -16.997 -32.478 1.00 0.27 C ATOM 751 O LYS A 50 -7.541 -17.307 -32.342 1.00 0.36 O ATOM 752 CB LYS A 50 -9.965 -19.152 -32.132 1.00 0.41 C ATOM 753 CG LYS A 50 -10.970 -18.842 -31.027 1.00 0.47 C ATOM 754 CD LYS A 50 -12.402 -18.786 -31.551 1.00 0.47 C ATOM 755 CE LYS A 50 -13.004 -20.178 -31.703 1.00 0.69 C ATOM 756 NZ LYS A 50 -14.377 -20.146 -32.286 1.00 1.32 N ATOM 0 H LYS A 50 -8.820 -19.401 -34.339 1.00 0.37 H new ATOM 0 HA LYS A 50 -10.672 -17.481 -33.258 1.00 0.32 H new ATOM 0 HB2 LYS A 50 -10.321 -20.008 -32.705 1.00 0.41 H new ATOM 0 HB3 LYS A 50 -9.018 -19.444 -31.678 1.00 0.41 H new ATOM 0 HG2 LYS A 50 -10.899 -19.602 -30.249 1.00 0.47 H new ATOM 0 HG3 LYS A 50 -10.716 -17.888 -30.564 1.00 0.47 H new ATOM 0 HD2 LYS A 50 -13.016 -18.197 -30.869 1.00 0.47 H new ATOM 0 HD3 LYS A 50 -12.417 -18.276 -32.514 1.00 0.47 H new ATOM 0 HE2 LYS A 50 -12.357 -20.783 -32.338 1.00 0.69 H new ATOM 0 HE3 LYS A 50 -13.038 -20.664 -30.728 1.00 0.69 H new ATOM 0 HZ1 LYS A 50 -14.887 -21.013 -32.021 1.00 1.32 H new ATOM 0 HZ2 LYS A 50 -14.890 -19.318 -31.922 1.00 1.32 H new ATOM 0 HZ3 LYS A 50 -14.313 -20.085 -33.322 1.00 1.32 H new ATOM 770 N LEU A 51 -9.213 -15.812 -32.142 1.00 0.19 N ATOM 771 CA LEU A 51 -8.361 -14.755 -31.617 1.00 0.13 C ATOM 772 C LEU A 51 -7.714 -15.135 -30.302 1.00 0.12 C ATOM 773 O LEU A 51 -8.386 -15.577 -29.373 1.00 0.16 O ATOM 774 CB LEU A 51 -9.152 -13.469 -31.418 1.00 0.13 C ATOM 775 CG LEU A 51 -8.886 -12.373 -32.453 1.00 0.13 C ATOM 776 CD1 LEU A 51 -9.605 -11.095 -32.073 1.00 0.19 C ATOM 777 CD2 LEU A 51 -7.393 -12.119 -32.580 1.00 0.16 C ATOM 0 H LEU A 51 -10.197 -15.557 -32.224 1.00 0.19 H new ATOM 0 HA LEU A 51 -7.576 -14.601 -32.357 1.00 0.13 H new ATOM 0 HB2 LEU A 51 -10.215 -13.709 -31.432 1.00 0.13 H new ATOM 0 HB3 LEU A 51 -8.928 -13.073 -30.427 1.00 0.13 H new ATOM 0 HG LEU A 51 -9.268 -12.710 -33.417 1.00 0.13 H new ATOM 0 HD11 LEU A 51 -9.404 -10.328 -32.821 1.00 0.19 H new ATOM 0 HD12 LEU A 51 -10.678 -11.282 -32.025 1.00 0.19 H new ATOM 0 HD13 LEU A 51 -9.252 -10.754 -31.100 1.00 0.19 H new ATOM 0 HD21 LEU A 51 -7.219 -11.337 -33.319 1.00 0.16 H new ATOM 0 HD22 LEU A 51 -6.995 -11.802 -31.616 1.00 0.16 H new ATOM 0 HD23 LEU A 51 -6.894 -13.035 -32.896 1.00 0.16 H new ATOM 789 N PHE A 52 -6.409 -14.943 -30.230 1.00 0.12 N ATOM 790 CA PHE A 52 -5.684 -15.132 -28.991 1.00 0.11 C ATOM 791 C PHE A 52 -5.188 -13.783 -28.490 1.00 0.10 C ATOM 792 O PHE A 52 -5.089 -12.822 -29.261 1.00 0.12 O ATOM 793 CB PHE A 52 -4.500 -16.094 -29.179 1.00 0.14 C ATOM 794 CG PHE A 52 -3.238 -15.438 -29.667 1.00 0.20 C ATOM 795 CD1 PHE A 52 -3.127 -15.002 -30.976 1.00 0.29 C ATOM 796 CD2 PHE A 52 -2.163 -15.256 -28.808 1.00 0.28 C ATOM 797 CE1 PHE A 52 -1.970 -14.392 -31.417 1.00 0.38 C ATOM 798 CE2 PHE A 52 -1.003 -14.649 -29.246 1.00 0.37 C ATOM 799 CZ PHE A 52 -0.906 -14.216 -30.553 1.00 0.39 C ATOM 0 H PHE A 52 -5.830 -14.655 -31.019 1.00 0.12 H new ATOM 0 HA PHE A 52 -6.358 -15.574 -28.257 1.00 0.11 H new ATOM 0 HB2 PHE A 52 -4.295 -16.588 -28.229 1.00 0.14 H new ATOM 0 HB3 PHE A 52 -4.788 -16.871 -29.887 1.00 0.14 H new ATOM 0 HD1 PHE A 52 -3.953 -15.140 -31.658 1.00 0.29 H new ATOM 0 HD2 PHE A 52 -2.235 -15.593 -27.785 1.00 0.28 H new ATOM 0 HE1 PHE A 52 -1.896 -14.052 -32.439 1.00 0.38 H new ATOM 0 HE2 PHE A 52 -0.174 -14.513 -28.568 1.00 0.37 H new ATOM 0 HZ PHE A 52 -0.000 -13.741 -30.900 1.00 0.39 H new ATOM 809 N PHE A 53 -4.891 -13.709 -27.206 1.00 0.10 N ATOM 810 CA PHE A 53 -4.329 -12.506 -26.622 1.00 0.10 C ATOM 811 C PHE A 53 -3.427 -12.876 -25.453 1.00 0.11 C ATOM 812 O PHE A 53 -3.640 -13.896 -24.797 1.00 0.13 O ATOM 813 CB PHE A 53 -5.448 -11.549 -26.180 1.00 0.10 C ATOM 814 CG PHE A 53 -6.268 -12.012 -25.007 1.00 0.10 C ATOM 815 CD1 PHE A 53 -5.824 -11.820 -23.708 1.00 0.13 C ATOM 816 CD2 PHE A 53 -7.489 -12.633 -25.204 1.00 0.11 C ATOM 817 CE1 PHE A 53 -6.583 -12.239 -22.635 1.00 0.16 C ATOM 818 CE2 PHE A 53 -8.250 -13.052 -24.135 1.00 0.13 C ATOM 819 CZ PHE A 53 -7.796 -12.857 -22.847 1.00 0.14 C ATOM 0 H PHE A 53 -5.031 -14.473 -26.544 1.00 0.10 H new ATOM 0 HA PHE A 53 -3.729 -11.990 -27.371 1.00 0.10 H new ATOM 0 HB2 PHE A 53 -5.002 -10.586 -25.932 1.00 0.10 H new ATOM 0 HB3 PHE A 53 -6.116 -11.383 -27.025 1.00 0.10 H new ATOM 0 HD1 PHE A 53 -4.874 -11.337 -23.534 1.00 0.13 H new ATOM 0 HD2 PHE A 53 -7.850 -12.791 -26.209 1.00 0.11 H new ATOM 0 HE1 PHE A 53 -6.226 -12.082 -21.628 1.00 0.16 H new ATOM 0 HE2 PHE A 53 -9.202 -13.533 -24.305 1.00 0.13 H new ATOM 0 HZ PHE A 53 -8.390 -13.188 -22.008 1.00 0.14 H new ATOM 829 N HIS A 54 -2.407 -12.071 -25.209 1.00 0.13 N ATOM 830 CA HIS A 54 -1.540 -12.298 -24.068 1.00 0.15 C ATOM 831 C HIS A 54 -2.090 -11.536 -22.864 1.00 0.15 C ATOM 832 O HIS A 54 -2.716 -10.486 -23.022 1.00 0.16 O ATOM 833 CB HIS A 54 -0.097 -11.860 -24.373 1.00 0.18 C ATOM 834 CG HIS A 54 0.893 -12.322 -23.341 1.00 0.21 C ATOM 835 ND1 HIS A 54 2.033 -11.631 -22.985 1.00 0.34 N ATOM 836 CD2 HIS A 54 0.898 -13.451 -22.590 1.00 0.25 C ATOM 837 CE1 HIS A 54 2.672 -12.353 -22.051 1.00 0.34 C ATOM 838 NE2 HIS A 54 2.022 -13.462 -21.778 1.00 0.27 N ATOM 0 H HIS A 54 -2.161 -11.262 -25.780 1.00 0.13 H new ATOM 0 HA HIS A 54 -1.518 -13.365 -23.845 1.00 0.15 H new ATOM 0 HB2 HIS A 54 0.196 -12.250 -25.348 1.00 0.18 H new ATOM 0 HB3 HIS A 54 -0.061 -10.773 -24.441 1.00 0.18 H new ATOM 0 HD1 HIS A 54 2.336 -10.733 -23.363 1.00 0.34 H new ATOM 0 HD2 HIS A 54 0.143 -14.223 -22.620 1.00 0.25 H new ATOM 0 HE1 HIS A 54 3.601 -12.060 -21.584 1.00 0.34 H new ATOM 846 N MET A 55 -1.855 -12.065 -21.670 1.00 0.16 N ATOM 847 CA MET A 55 -2.308 -11.439 -20.425 1.00 0.17 C ATOM 848 C MET A 55 -1.675 -10.058 -20.205 1.00 0.17 C ATOM 849 O MET A 55 -1.953 -9.391 -19.209 1.00 0.27 O ATOM 850 CB MET A 55 -1.992 -12.352 -19.239 1.00 0.24 C ATOM 851 CG MET A 55 -3.218 -12.999 -18.618 1.00 0.76 C ATOM 852 SD MET A 55 -4.200 -13.923 -19.814 1.00 1.86 S ATOM 853 CE MET A 55 -5.446 -14.618 -18.737 1.00 2.43 C ATOM 0 H MET A 55 -1.346 -12.938 -21.533 1.00 0.16 H new ATOM 0 HA MET A 55 -3.385 -11.295 -20.505 1.00 0.17 H new ATOM 0 HB2 MET A 55 -1.307 -13.134 -19.567 1.00 0.24 H new ATOM 0 HB3 MET A 55 -1.472 -11.773 -18.475 1.00 0.24 H new ATOM 0 HG2 MET A 55 -2.904 -13.669 -17.818 1.00 0.76 H new ATOM 0 HG3 MET A 55 -3.839 -12.228 -18.163 1.00 0.76 H new ATOM 0 HE1 MET A 55 -5.591 -15.671 -18.980 1.00 2.43 H new ATOM 0 HE2 MET A 55 -5.123 -14.526 -17.700 1.00 2.43 H new ATOM 0 HE3 MET A 55 -6.385 -14.082 -18.873 1.00 2.43 H new ATOM 863 N SER A 56 -0.817 -9.638 -21.129 1.00 0.16 N ATOM 864 CA SER A 56 -0.238 -8.301 -21.093 1.00 0.19 C ATOM 865 C SER A 56 -1.300 -7.261 -21.444 1.00 0.17 C ATOM 866 O SER A 56 -1.286 -6.141 -20.933 1.00 0.24 O ATOM 867 CB SER A 56 0.941 -8.210 -22.073 1.00 0.26 C ATOM 868 OG SER A 56 1.475 -6.897 -22.132 1.00 0.91 O ATOM 0 H SER A 56 -0.506 -10.208 -21.916 1.00 0.16 H new ATOM 0 HA SER A 56 0.129 -8.101 -20.086 1.00 0.19 H new ATOM 0 HB2 SER A 56 1.722 -8.907 -21.768 1.00 0.26 H new ATOM 0 HB3 SER A 56 0.612 -8.514 -23.067 1.00 0.26 H new ATOM 0 HG SER A 56 2.224 -6.877 -22.764 1.00 0.91 H new ATOM 874 N GLU A 57 -2.233 -7.653 -22.304 1.00 0.14 N ATOM 875 CA GLU A 57 -3.294 -6.763 -22.749 1.00 0.17 C ATOM 876 C GLU A 57 -4.476 -6.800 -21.787 1.00 0.16 C ATOM 877 O GLU A 57 -5.380 -5.978 -21.874 1.00 0.20 O ATOM 878 CB GLU A 57 -3.760 -7.175 -24.144 1.00 0.22 C ATOM 879 CG GLU A 57 -2.633 -7.281 -25.159 1.00 0.32 C ATOM 880 CD GLU A 57 -1.825 -6.004 -25.262 1.00 1.10 C ATOM 881 OE1 GLU A 57 -2.323 -5.033 -25.872 1.00 1.96 O ATOM 882 OE2 GLU A 57 -0.685 -5.975 -24.743 1.00 1.20 O ATOM 0 H GLU A 57 -2.274 -8.589 -22.708 1.00 0.14 H new ATOM 0 HA GLU A 57 -2.900 -5.747 -22.776 1.00 0.17 H new ATOM 0 HB2 GLU A 57 -4.269 -8.137 -24.078 1.00 0.22 H new ATOM 0 HB3 GLU A 57 -4.492 -6.451 -24.501 1.00 0.22 H new ATOM 0 HG2 GLU A 57 -1.974 -8.103 -24.881 1.00 0.32 H new ATOM 0 HG3 GLU A 57 -3.050 -7.523 -26.136 1.00 0.32 H new ATOM 889 N VAL A 58 -4.444 -7.756 -20.871 1.00 0.17 N ATOM 890 CA VAL A 58 -5.546 -8.011 -19.954 1.00 0.17 C ATOM 891 C VAL A 58 -5.785 -6.844 -18.988 1.00 0.20 C ATOM 892 O VAL A 58 -4.850 -6.164 -18.555 1.00 0.27 O ATOM 893 CB VAL A 58 -5.282 -9.328 -19.193 1.00 0.16 C ATOM 894 CG1 VAL A 58 -5.848 -9.319 -17.784 1.00 0.27 C ATOM 895 CG2 VAL A 58 -5.849 -10.498 -19.971 1.00 0.22 C ATOM 0 H VAL A 58 -3.648 -8.381 -20.742 1.00 0.17 H new ATOM 0 HA VAL A 58 -6.461 -8.109 -20.538 1.00 0.17 H new ATOM 0 HB VAL A 58 -4.201 -9.430 -19.101 1.00 0.16 H new ATOM 0 HG11 VAL A 58 -5.631 -10.271 -17.299 1.00 0.27 H new ATOM 0 HG12 VAL A 58 -5.392 -8.509 -17.214 1.00 0.27 H new ATOM 0 HG13 VAL A 58 -6.927 -9.171 -17.826 1.00 0.27 H new ATOM 0 HG21 VAL A 58 -5.658 -11.423 -19.427 1.00 0.22 H new ATOM 0 HG22 VAL A 58 -6.924 -10.365 -20.096 1.00 0.22 H new ATOM 0 HG23 VAL A 58 -5.373 -10.548 -20.950 1.00 0.22 H new ATOM 905 N GLN A 59 -7.058 -6.640 -18.673 1.00 0.20 N ATOM 906 CA GLN A 59 -7.522 -5.532 -17.848 1.00 0.25 C ATOM 907 C GLN A 59 -7.016 -5.644 -16.412 1.00 0.34 C ATOM 908 O GLN A 59 -7.448 -6.517 -15.659 1.00 0.57 O ATOM 909 CB GLN A 59 -9.055 -5.529 -17.877 1.00 0.31 C ATOM 910 CG GLN A 59 -9.722 -4.225 -17.455 1.00 0.41 C ATOM 911 CD GLN A 59 -9.833 -4.049 -15.952 1.00 0.77 C ATOM 912 OE1 GLN A 59 -10.790 -4.513 -15.334 1.00 1.60 O ATOM 913 NE2 GLN A 59 -8.882 -3.349 -15.359 1.00 1.25 N ATOM 0 H GLN A 59 -7.811 -7.251 -18.990 1.00 0.20 H new ATOM 0 HA GLN A 59 -7.129 -4.597 -18.248 1.00 0.25 H new ATOM 0 HB2 GLN A 59 -9.381 -5.772 -18.888 1.00 0.31 H new ATOM 0 HB3 GLN A 59 -9.414 -6.326 -17.226 1.00 0.31 H new ATOM 0 HG2 GLN A 59 -9.157 -3.389 -17.868 1.00 0.41 H new ATOM 0 HG3 GLN A 59 -10.720 -4.181 -17.891 1.00 0.41 H new ATOM 0 HE21 GLN A 59 -8.104 -2.980 -15.906 1.00 1.25 H new ATOM 0 HE22 GLN A 59 -8.926 -3.177 -14.355 1.00 1.25 H new ATOM 922 N GLY A 60 -6.106 -4.751 -16.046 1.00 0.40 N ATOM 923 CA GLY A 60 -5.643 -4.675 -14.675 1.00 0.49 C ATOM 924 C GLY A 60 -4.721 -5.814 -14.296 1.00 0.44 C ATOM 925 O GLY A 60 -3.510 -5.741 -14.498 1.00 0.58 O ATOM 0 H GLY A 60 -5.678 -4.075 -16.678 1.00 0.40 H new ATOM 0 HA2 GLY A 60 -5.123 -3.729 -14.525 1.00 0.49 H new ATOM 0 HA3 GLY A 60 -6.504 -4.674 -14.006 1.00 0.49 H new ATOM 929 N ASN A 61 -5.299 -6.862 -13.741 1.00 0.47 N ATOM 930 CA ASN A 61 -4.535 -8.013 -13.284 1.00 0.52 C ATOM 931 C ASN A 61 -4.849 -9.221 -14.137 1.00 0.52 C ATOM 932 O ASN A 61 -5.920 -9.304 -14.733 1.00 0.49 O ATOM 933 CB ASN A 61 -4.838 -8.332 -11.817 1.00 0.63 C ATOM 934 CG ASN A 61 -4.035 -7.493 -10.836 1.00 1.27 C ATOM 935 OD1 ASN A 61 -3.794 -7.919 -9.707 1.00 2.20 O ATOM 936 ND2 ASN A 61 -3.613 -6.309 -11.250 1.00 1.71 N ATOM 0 H ASN A 61 -6.305 -6.942 -13.594 1.00 0.47 H new ATOM 0 HA ASN A 61 -3.477 -7.767 -13.374 1.00 0.52 H new ATOM 0 HB2 ASN A 61 -5.901 -8.176 -11.631 1.00 0.63 H new ATOM 0 HB3 ASN A 61 -4.634 -9.387 -11.633 1.00 0.63 H new ATOM 0 HD21 ASN A 61 -3.068 -5.715 -10.625 1.00 1.71 H new ATOM 0 HD22 ASN A 61 -3.833 -5.991 -12.194 1.00 1.71 H new ATOM 943 N THR A 62 -3.924 -10.160 -14.178 1.00 0.62 N ATOM 944 CA THR A 62 -4.085 -11.358 -14.982 1.00 0.71 C ATOM 945 C THR A 62 -5.297 -12.174 -14.529 1.00 0.70 C ATOM 946 O THR A 62 -5.969 -12.809 -15.340 1.00 0.82 O ATOM 947 CB THR A 62 -2.814 -12.221 -14.913 1.00 0.86 C ATOM 948 OG1 THR A 62 -2.492 -12.497 -13.542 1.00 0.87 O ATOM 949 CG2 THR A 62 -1.654 -11.495 -15.576 1.00 0.95 C ATOM 0 H THR A 62 -3.046 -10.116 -13.660 1.00 0.62 H new ATOM 0 HA THR A 62 -4.252 -11.047 -16.013 1.00 0.71 H new ATOM 0 HB THR A 62 -2.992 -13.159 -15.439 1.00 0.86 H new ATOM 0 HG1 THR A 62 -1.683 -13.048 -13.501 1.00 0.87 H new ATOM 0 HG21 THR A 62 -0.759 -12.114 -15.522 1.00 0.95 H new ATOM 0 HG22 THR A 62 -1.897 -11.299 -16.620 1.00 0.95 H new ATOM 0 HG23 THR A 62 -1.474 -10.551 -15.062 1.00 0.95 H new ATOM 957 N VAL A 63 -5.586 -12.121 -13.233 1.00 0.63 N ATOM 958 CA VAL A 63 -6.717 -12.851 -12.671 1.00 0.71 C ATOM 959 C VAL A 63 -7.966 -11.958 -12.621 1.00 0.64 C ATOM 960 O VAL A 63 -8.929 -12.247 -11.915 1.00 0.74 O ATOM 961 CB VAL A 63 -6.398 -13.377 -11.247 1.00 0.84 C ATOM 962 CG1 VAL A 63 -7.348 -14.501 -10.861 1.00 1.39 C ATOM 963 CG2 VAL A 63 -4.950 -13.843 -11.148 1.00 1.31 C ATOM 0 H VAL A 63 -5.053 -11.580 -12.552 1.00 0.63 H new ATOM 0 HA VAL A 63 -6.910 -13.705 -13.321 1.00 0.71 H new ATOM 0 HB VAL A 63 -6.538 -12.553 -10.547 1.00 0.84 H new ATOM 0 HG11 VAL A 63 -7.106 -14.854 -9.859 1.00 1.39 H new ATOM 0 HG12 VAL A 63 -8.374 -14.132 -10.878 1.00 1.39 H new ATOM 0 HG13 VAL A 63 -7.246 -15.323 -11.570 1.00 1.39 H new ATOM 0 HG21 VAL A 63 -4.753 -14.207 -10.140 1.00 1.31 H new ATOM 0 HG22 VAL A 63 -4.777 -14.646 -11.864 1.00 1.31 H new ATOM 0 HG23 VAL A 63 -4.284 -13.009 -11.370 1.00 1.31 H new ATOM 973 N ALA A 64 -7.948 -10.872 -13.383 1.00 0.55 N ATOM 974 CA ALA A 64 -9.079 -9.951 -13.420 1.00 0.53 C ATOM 975 C ALA A 64 -9.868 -10.099 -14.717 1.00 0.44 C ATOM 976 O ALA A 64 -10.837 -9.378 -14.960 1.00 0.56 O ATOM 977 CB ALA A 64 -8.604 -8.517 -13.242 1.00 0.57 C ATOM 0 H ALA A 64 -7.166 -10.607 -13.982 1.00 0.55 H new ATOM 0 HA ALA A 64 -9.744 -10.201 -12.594 1.00 0.53 H new ATOM 0 HB1 ALA A 64 -9.461 -7.844 -13.272 1.00 0.57 H new ATOM 0 HB2 ALA A 64 -8.098 -8.418 -12.282 1.00 0.57 H new ATOM 0 HB3 ALA A 64 -7.912 -8.261 -14.045 1.00 0.57 H new ATOM 983 N LEU A 65 -9.437 -11.037 -15.548 1.00 0.35 N ATOM 984 CA LEU A 65 -10.125 -11.346 -16.790 1.00 0.25 C ATOM 985 C LEU A 65 -10.353 -12.858 -16.851 1.00 0.22 C ATOM 986 O LEU A 65 -9.409 -13.633 -16.708 1.00 0.26 O ATOM 987 CB LEU A 65 -9.280 -10.850 -17.981 1.00 0.23 C ATOM 988 CG LEU A 65 -10.031 -10.628 -19.300 1.00 0.25 C ATOM 989 CD1 LEU A 65 -10.297 -11.950 -19.996 1.00 1.51 C ATOM 990 CD2 LEU A 65 -11.323 -9.882 -19.042 1.00 1.21 C ATOM 0 H LEU A 65 -8.605 -11.602 -15.380 1.00 0.35 H new ATOM 0 HA LEU A 65 -11.091 -10.843 -16.837 1.00 0.25 H new ATOM 0 HB2 LEU A 65 -8.804 -9.912 -17.696 1.00 0.23 H new ATOM 0 HB3 LEU A 65 -8.482 -11.571 -18.159 1.00 0.23 H new ATOM 0 HG LEU A 65 -9.409 -10.024 -19.960 1.00 0.25 H new ATOM 0 HD11 LEU A 65 -10.830 -11.769 -20.929 1.00 1.51 H new ATOM 0 HD12 LEU A 65 -9.350 -12.446 -20.210 1.00 1.51 H new ATOM 0 HD13 LEU A 65 -10.902 -12.586 -19.350 1.00 1.51 H new ATOM 0 HD21 LEU A 65 -11.849 -9.729 -19.984 1.00 1.21 H new ATOM 0 HD22 LEU A 65 -11.950 -10.464 -18.366 1.00 1.21 H new ATOM 0 HD23 LEU A 65 -11.101 -8.916 -18.589 1.00 1.21 H new ATOM 1002 N HIS A 66 -11.602 -13.271 -17.045 1.00 0.20 N ATOM 1003 CA HIS A 66 -11.959 -14.684 -16.938 1.00 0.21 C ATOM 1004 C HIS A 66 -12.601 -15.205 -18.228 1.00 0.15 C ATOM 1005 O HIS A 66 -13.186 -14.434 -18.991 1.00 0.15 O ATOM 1006 CB HIS A 66 -12.925 -14.887 -15.765 1.00 0.31 C ATOM 1007 CG HIS A 66 -12.368 -14.493 -14.426 1.00 0.53 C ATOM 1008 ND1 HIS A 66 -11.426 -15.227 -13.739 1.00 0.75 N ATOM 1009 CD2 HIS A 66 -12.644 -13.416 -13.646 1.00 0.76 C ATOM 1010 CE1 HIS A 66 -11.167 -14.594 -12.589 1.00 0.90 C ATOM 1011 NE2 HIS A 66 -11.880 -13.487 -12.481 1.00 0.91 N ATOM 0 H HIS A 66 -12.380 -12.653 -17.276 1.00 0.20 H new ATOM 0 HA HIS A 66 -11.042 -15.248 -16.767 1.00 0.21 H new ATOM 0 HB2 HIS A 66 -13.831 -14.310 -15.952 1.00 0.31 H new ATOM 0 HB3 HIS A 66 -13.217 -15.936 -15.729 1.00 0.31 H new ATOM 0 HD2 HIS A 66 -13.344 -12.630 -13.889 1.00 0.76 H new ATOM 0 HE1 HIS A 66 -10.466 -14.943 -11.845 1.00 0.90 H new ATOM 0 HE2 HIS A 66 -11.873 -12.823 -11.707 1.00 0.91 H new ATOM 1019 N PRO A 67 -12.494 -16.524 -18.492 1.00 0.15 N ATOM 1020 CA PRO A 67 -13.152 -17.161 -19.638 1.00 0.14 C ATOM 1021 C PRO A 67 -14.670 -17.181 -19.498 1.00 0.15 C ATOM 1022 O PRO A 67 -15.202 -17.515 -18.438 1.00 0.28 O ATOM 1023 CB PRO A 67 -12.596 -18.588 -19.632 1.00 0.19 C ATOM 1024 CG PRO A 67 -12.161 -18.825 -18.230 1.00 0.20 C ATOM 1025 CD PRO A 67 -11.705 -17.491 -17.706 1.00 0.19 C ATOM 0 HA PRO A 67 -12.957 -16.621 -20.565 1.00 0.14 H new ATOM 0 HB2 PRO A 67 -13.355 -19.309 -19.937 1.00 0.19 H new ATOM 0 HB3 PRO A 67 -11.762 -18.690 -20.327 1.00 0.19 H new ATOM 0 HG2 PRO A 67 -12.980 -19.221 -17.629 1.00 0.20 H new ATOM 0 HG3 PRO A 67 -11.354 -19.556 -18.190 1.00 0.20 H new ATOM 0 HD2 PRO A 67 -11.898 -17.392 -16.638 1.00 0.19 H new ATOM 0 HD3 PRO A 67 -10.634 -17.348 -17.851 1.00 0.19 H new ATOM 1033 N GLY A 68 -15.367 -16.831 -20.571 1.00 0.15 N ATOM 1034 CA GLY A 68 -16.813 -16.775 -20.527 1.00 0.18 C ATOM 1035 C GLY A 68 -17.316 -15.386 -20.205 1.00 0.18 C ATOM 1036 O GLY A 68 -18.522 -15.129 -20.211 1.00 0.22 O ATOM 0 H GLY A 68 -14.955 -16.585 -21.471 1.00 0.15 H new ATOM 0 HA2 GLY A 68 -17.218 -17.094 -21.488 1.00 0.18 H new ATOM 0 HA3 GLY A 68 -17.180 -17.476 -19.778 1.00 0.18 H new ATOM 1040 N ASP A 69 -16.391 -14.485 -19.923 1.00 0.18 N ATOM 1041 CA ASP A 69 -16.744 -13.109 -19.607 1.00 0.20 C ATOM 1042 C ASP A 69 -16.640 -12.253 -20.864 1.00 0.13 C ATOM 1043 O ASP A 69 -15.899 -12.595 -21.796 1.00 0.12 O ATOM 1044 CB ASP A 69 -15.813 -12.557 -18.526 1.00 0.27 C ATOM 1045 CG ASP A 69 -16.485 -11.532 -17.632 1.00 0.68 C ATOM 1046 OD1 ASP A 69 -17.397 -10.824 -18.103 1.00 1.28 O ATOM 1047 OD2 ASP A 69 -16.083 -11.413 -16.451 1.00 1.09 O ATOM 0 H ASP A 69 -15.390 -14.680 -19.906 1.00 0.18 H new ATOM 0 HA ASP A 69 -17.768 -13.083 -19.234 1.00 0.20 H new ATOM 0 HB2 ASP A 69 -15.448 -13.381 -17.913 1.00 0.27 H new ATOM 0 HB3 ASP A 69 -14.943 -12.103 -19.001 1.00 0.27 H new ATOM 1052 N THR A 70 -17.376 -11.153 -20.897 1.00 0.13 N ATOM 1053 CA THR A 70 -17.362 -10.275 -22.057 1.00 0.11 C ATOM 1054 C THR A 70 -16.175 -9.329 -21.967 1.00 0.10 C ATOM 1055 O THR A 70 -15.920 -8.732 -20.921 1.00 0.14 O ATOM 1056 CB THR A 70 -18.660 -9.451 -22.177 1.00 0.14 C ATOM 1057 OG1 THR A 70 -19.794 -10.289 -21.887 1.00 0.17 O ATOM 1058 CG2 THR A 70 -18.796 -8.885 -23.584 1.00 0.15 C ATOM 0 H THR A 70 -17.987 -10.848 -20.139 1.00 0.13 H new ATOM 0 HA THR A 70 -17.282 -10.904 -22.943 1.00 0.11 H new ATOM 0 HB THR A 70 -18.621 -8.627 -21.464 1.00 0.14 H new ATOM 0 HG1 THR A 70 -20.614 -9.848 -22.194 1.00 0.17 H new ATOM 0 HG21 THR A 70 -19.716 -8.305 -23.656 1.00 0.15 H new ATOM 0 HG22 THR A 70 -17.944 -8.241 -23.801 1.00 0.15 H new ATOM 0 HG23 THR A 70 -18.825 -9.703 -24.304 1.00 0.15 H new ATOM 1066 N VAL A 71 -15.433 -9.212 -23.053 1.00 0.10 N ATOM 1067 CA VAL A 71 -14.236 -8.395 -23.066 1.00 0.12 C ATOM 1068 C VAL A 71 -14.189 -7.530 -24.304 1.00 0.12 C ATOM 1069 O VAL A 71 -14.875 -7.781 -25.299 1.00 0.16 O ATOM 1070 CB VAL A 71 -12.965 -9.257 -23.003 1.00 0.17 C ATOM 1071 CG1 VAL A 71 -13.086 -10.291 -21.902 1.00 0.31 C ATOM 1072 CG2 VAL A 71 -12.692 -9.924 -24.334 1.00 0.24 C ATOM 0 H VAL A 71 -15.640 -9.674 -23.939 1.00 0.10 H new ATOM 0 HA VAL A 71 -14.273 -7.760 -22.181 1.00 0.12 H new ATOM 0 HB VAL A 71 -12.122 -8.604 -22.778 1.00 0.17 H new ATOM 0 HG11 VAL A 71 -12.179 -10.895 -21.868 1.00 0.31 H new ATOM 0 HG12 VAL A 71 -13.223 -9.789 -20.944 1.00 0.31 H new ATOM 0 HG13 VAL A 71 -13.943 -10.935 -22.100 1.00 0.31 H new ATOM 0 HG21 VAL A 71 -11.787 -10.527 -24.260 1.00 0.24 H new ATOM 0 HG22 VAL A 71 -13.534 -10.564 -24.600 1.00 0.24 H new ATOM 0 HG23 VAL A 71 -12.558 -9.162 -25.102 1.00 0.24 H new ATOM 1082 N GLU A 72 -13.382 -6.507 -24.216 1.00 0.14 N ATOM 1083 CA GLU A 72 -13.165 -5.609 -25.314 1.00 0.14 C ATOM 1084 C GLU A 72 -11.697 -5.645 -25.696 1.00 0.14 C ATOM 1085 O GLU A 72 -10.829 -5.719 -24.835 1.00 0.24 O ATOM 1086 CB GLU A 72 -13.637 -4.212 -24.918 1.00 0.21 C ATOM 1087 CG GLU A 72 -12.708 -3.094 -25.321 1.00 0.33 C ATOM 1088 CD GLU A 72 -13.341 -1.724 -25.161 1.00 0.42 C ATOM 1089 OE1 GLU A 72 -12.609 -0.756 -24.864 1.00 0.59 O ATOM 1090 OE2 GLU A 72 -14.577 -1.615 -25.302 1.00 0.78 O ATOM 0 H GLU A 72 -12.854 -6.273 -23.375 1.00 0.14 H new ATOM 0 HA GLU A 72 -13.740 -5.910 -26.190 1.00 0.14 H new ATOM 0 HB2 GLU A 72 -14.614 -4.033 -25.366 1.00 0.21 H new ATOM 0 HB3 GLU A 72 -13.772 -4.182 -23.837 1.00 0.21 H new ATOM 0 HG2 GLU A 72 -11.802 -3.144 -24.718 1.00 0.33 H new ATOM 0 HG3 GLU A 72 -12.408 -3.233 -26.360 1.00 0.33 H new ATOM 1097 N PHE A 73 -11.438 -5.641 -26.985 1.00 0.09 N ATOM 1098 CA PHE A 73 -10.092 -5.812 -27.499 1.00 0.08 C ATOM 1099 C PHE A 73 -9.951 -5.089 -28.822 1.00 0.07 C ATOM 1100 O PHE A 73 -10.899 -4.478 -29.311 1.00 0.07 O ATOM 1101 CB PHE A 73 -9.779 -7.300 -27.678 1.00 0.08 C ATOM 1102 CG PHE A 73 -10.786 -8.032 -28.517 1.00 0.08 C ATOM 1103 CD1 PHE A 73 -10.591 -8.205 -29.877 1.00 0.09 C ATOM 1104 CD2 PHE A 73 -11.928 -8.549 -27.937 1.00 0.11 C ATOM 1105 CE1 PHE A 73 -11.518 -8.878 -30.639 1.00 0.10 C ATOM 1106 CE2 PHE A 73 -12.859 -9.225 -28.693 1.00 0.11 C ATOM 1107 CZ PHE A 73 -12.653 -9.392 -30.049 1.00 0.10 C ATOM 0 H PHE A 73 -12.149 -5.520 -27.706 1.00 0.09 H new ATOM 0 HA PHE A 73 -9.385 -5.390 -26.785 1.00 0.08 H new ATOM 0 HB2 PHE A 73 -8.795 -7.403 -28.135 1.00 0.08 H new ATOM 0 HB3 PHE A 73 -9.725 -7.772 -26.697 1.00 0.08 H new ATOM 0 HD1 PHE A 73 -9.702 -7.808 -30.344 1.00 0.09 H new ATOM 0 HD2 PHE A 73 -12.093 -8.421 -26.877 1.00 0.11 H new ATOM 0 HE1 PHE A 73 -11.357 -9.004 -31.699 1.00 0.10 H new ATOM 0 HE2 PHE A 73 -13.748 -9.624 -28.227 1.00 0.11 H new ATOM 0 HZ PHE A 73 -13.379 -9.924 -30.645 1.00 0.10 H new ATOM 1117 N SER A 74 -8.777 -5.156 -29.411 1.00 0.09 N ATOM 1118 CA SER A 74 -8.557 -4.501 -30.678 1.00 0.10 C ATOM 1119 C SER A 74 -7.989 -5.501 -31.653 1.00 0.12 C ATOM 1120 O SER A 74 -7.052 -6.226 -31.329 1.00 0.19 O ATOM 1121 CB SER A 74 -7.606 -3.310 -30.523 1.00 0.15 C ATOM 1122 OG SER A 74 -7.974 -2.495 -29.423 1.00 0.86 O ATOM 0 H SER A 74 -7.969 -5.652 -29.036 1.00 0.09 H new ATOM 0 HA SER A 74 -9.507 -4.119 -31.052 1.00 0.10 H new ATOM 0 HB2 SER A 74 -6.587 -3.671 -30.385 1.00 0.15 H new ATOM 0 HB3 SER A 74 -7.613 -2.716 -31.437 1.00 0.15 H new ATOM 0 HG SER A 74 -7.721 -2.940 -28.587 1.00 0.86 H new ATOM 1128 N VAL A 75 -8.565 -5.548 -32.833 1.00 0.17 N ATOM 1129 CA VAL A 75 -8.174 -6.523 -33.826 1.00 0.19 C ATOM 1130 C VAL A 75 -7.075 -5.956 -34.728 1.00 0.20 C ATOM 1131 O VAL A 75 -7.326 -5.191 -35.660 1.00 0.27 O ATOM 1132 CB VAL A 75 -9.409 -6.997 -34.637 1.00 0.27 C ATOM 1133 CG1 VAL A 75 -10.179 -5.817 -35.191 1.00 0.33 C ATOM 1134 CG2 VAL A 75 -9.024 -7.945 -35.758 1.00 0.36 C ATOM 0 H VAL A 75 -9.310 -4.918 -33.130 1.00 0.17 H new ATOM 0 HA VAL A 75 -7.762 -7.398 -33.323 1.00 0.19 H new ATOM 0 HB VAL A 75 -10.051 -7.543 -33.946 1.00 0.27 H new ATOM 0 HG11 VAL A 75 -11.040 -6.177 -35.755 1.00 0.33 H new ATOM 0 HG12 VAL A 75 -10.521 -5.188 -34.369 1.00 0.33 H new ATOM 0 HG13 VAL A 75 -9.532 -5.236 -35.848 1.00 0.33 H new ATOM 0 HG21 VAL A 75 -9.919 -8.251 -36.299 1.00 0.36 H new ATOM 0 HG22 VAL A 75 -8.341 -7.441 -36.442 1.00 0.36 H new ATOM 0 HG23 VAL A 75 -8.535 -8.824 -35.339 1.00 0.36 H new ATOM 1144 N VAL A 76 -5.841 -6.315 -34.407 1.00 0.19 N ATOM 1145 CA VAL A 76 -4.692 -5.897 -35.191 1.00 0.26 C ATOM 1146 C VAL A 76 -4.212 -7.044 -36.078 1.00 0.25 C ATOM 1147 O VAL A 76 -3.763 -8.085 -35.594 1.00 0.25 O ATOM 1148 CB VAL A 76 -3.535 -5.375 -34.294 1.00 0.33 C ATOM 1149 CG1 VAL A 76 -3.144 -6.397 -33.241 1.00 0.32 C ATOM 1150 CG2 VAL A 76 -2.328 -4.995 -35.134 1.00 0.42 C ATOM 0 H VAL A 76 -5.611 -6.899 -33.603 1.00 0.19 H new ATOM 0 HA VAL A 76 -5.008 -5.068 -35.824 1.00 0.26 H new ATOM 0 HB VAL A 76 -3.897 -4.484 -33.781 1.00 0.33 H new ATOM 0 HG11 VAL A 76 -2.332 -5.999 -32.632 1.00 0.32 H new ATOM 0 HG12 VAL A 76 -4.003 -6.612 -32.606 1.00 0.32 H new ATOM 0 HG13 VAL A 76 -2.815 -7.315 -33.729 1.00 0.32 H new ATOM 0 HG21 VAL A 76 -1.532 -4.633 -34.484 1.00 0.42 H new ATOM 0 HG22 VAL A 76 -1.978 -5.868 -35.684 1.00 0.42 H new ATOM 0 HG23 VAL A 76 -2.607 -4.211 -35.838 1.00 0.42 H new ATOM 1160 N THR A 77 -4.335 -6.856 -37.379 1.00 0.34 N ATOM 1161 CA THR A 77 -3.977 -7.888 -38.326 1.00 0.38 C ATOM 1162 C THR A 77 -2.470 -7.922 -38.550 1.00 0.44 C ATOM 1163 O THR A 77 -1.848 -6.901 -38.854 1.00 0.56 O ATOM 1164 CB THR A 77 -4.684 -7.667 -39.672 1.00 0.57 C ATOM 1165 OG1 THR A 77 -6.081 -7.429 -39.456 1.00 0.67 O ATOM 1166 CG2 THR A 77 -4.507 -8.875 -40.583 1.00 0.62 C ATOM 0 H THR A 77 -4.681 -5.995 -37.802 1.00 0.34 H new ATOM 0 HA THR A 77 -4.298 -8.841 -37.906 1.00 0.38 H new ATOM 0 HB THR A 77 -4.236 -6.799 -40.155 1.00 0.57 H new ATOM 0 HG1 THR A 77 -6.526 -7.287 -40.318 1.00 0.67 H new ATOM 0 HG21 THR A 77 -5.016 -8.695 -41.530 1.00 0.62 H new ATOM 0 HG22 THR A 77 -3.445 -9.039 -40.768 1.00 0.62 H new ATOM 0 HG23 THR A 77 -4.933 -9.757 -40.104 1.00 0.62 H new ATOM 1174 N ASN A 78 -1.895 -9.099 -38.386 1.00 0.44 N ATOM 1175 CA ASN A 78 -0.496 -9.315 -38.682 1.00 0.57 C ATOM 1176 C ASN A 78 -0.293 -9.251 -40.183 1.00 0.66 C ATOM 1177 O ASN A 78 -0.649 -10.184 -40.890 1.00 0.70 O ATOM 1178 CB ASN A 78 -0.048 -10.681 -38.158 1.00 0.64 C ATOM 1179 CG ASN A 78 0.063 -10.731 -36.646 1.00 1.10 C ATOM 1180 OD1 ASN A 78 -0.883 -11.108 -35.951 1.00 1.82 O ATOM 1181 ND2 ASN A 78 1.221 -10.359 -36.123 1.00 1.54 N ATOM 0 H ASN A 78 -2.384 -9.927 -38.045 1.00 0.44 H new ATOM 0 HA ASN A 78 0.099 -8.543 -38.194 1.00 0.57 H new ATOM 0 HB2 ASN A 78 -0.756 -11.441 -38.490 1.00 0.64 H new ATOM 0 HB3 ASN A 78 0.918 -10.932 -38.596 1.00 0.64 H new ATOM 0 HD21 ASN A 78 1.354 -10.378 -35.112 1.00 1.54 H new ATOM 0 HD22 ASN A 78 1.981 -10.053 -36.731 1.00 1.54 H new ATOM 1188 N GLN A 79 0.262 -8.150 -40.669 1.00 0.79 N ATOM 1189 CA GLN A 79 0.443 -7.954 -42.107 1.00 0.91 C ATOM 1190 C GLN A 79 1.270 -9.079 -42.730 1.00 0.94 C ATOM 1191 O GLN A 79 1.119 -9.394 -43.910 1.00 1.06 O ATOM 1192 CB GLN A 79 1.087 -6.591 -42.389 1.00 1.09 C ATOM 1193 CG GLN A 79 2.363 -6.328 -41.598 1.00 1.18 C ATOM 1194 CD GLN A 79 2.986 -4.981 -41.913 1.00 1.43 C ATOM 1195 OE1 GLN A 79 2.880 -4.479 -43.031 1.00 1.95 O ATOM 1196 NE2 GLN A 79 3.636 -4.385 -40.927 1.00 1.90 N ATOM 0 H GLN A 79 0.596 -7.377 -40.093 1.00 0.79 H new ATOM 0 HA GLN A 79 -0.544 -7.976 -42.569 1.00 0.91 H new ATOM 0 HB2 GLN A 79 1.312 -6.521 -43.453 1.00 1.09 H new ATOM 0 HB3 GLN A 79 0.365 -5.807 -42.163 1.00 1.09 H new ATOM 0 HG2 GLN A 79 2.141 -6.379 -40.532 1.00 1.18 H new ATOM 0 HG3 GLN A 79 3.086 -7.116 -41.811 1.00 1.18 H new ATOM 0 HE21 GLN A 79 3.701 -4.835 -40.014 1.00 1.90 H new ATOM 0 HE22 GLN A 79 4.072 -3.476 -41.080 1.00 1.90 H new ATOM 1205 N ARG A 80 2.125 -9.694 -41.927 1.00 0.93 N ATOM 1206 CA ARG A 80 2.967 -10.783 -42.400 1.00 1.03 C ATOM 1207 C ARG A 80 2.233 -12.123 -42.353 1.00 1.02 C ATOM 1208 O ARG A 80 2.337 -12.925 -43.279 1.00 1.21 O ATOM 1209 CB ARG A 80 4.232 -10.867 -41.548 1.00 1.18 C ATOM 1210 CG ARG A 80 5.219 -11.940 -41.991 1.00 1.35 C ATOM 1211 CD ARG A 80 5.919 -11.587 -43.301 1.00 1.67 C ATOM 1212 NE ARG A 80 5.049 -11.732 -44.468 1.00 2.41 N ATOM 1213 CZ ARG A 80 5.487 -11.778 -45.727 1.00 3.02 C ATOM 1214 NH1 ARG A 80 6.791 -11.693 -45.990 1.00 3.01 N ATOM 1215 NH2 ARG A 80 4.613 -11.890 -46.721 1.00 3.99 N ATOM 0 H ARG A 80 2.254 -9.457 -40.943 1.00 0.93 H new ATOM 0 HA ARG A 80 3.229 -10.575 -43.437 1.00 1.03 H new ATOM 0 HB2 ARG A 80 4.733 -9.899 -41.567 1.00 1.18 H new ATOM 0 HB3 ARG A 80 3.947 -11.058 -40.513 1.00 1.18 H new ATOM 0 HG2 ARG A 80 5.967 -12.085 -41.211 1.00 1.35 H new ATOM 0 HG3 ARG A 80 4.692 -12.887 -42.108 1.00 1.35 H new ATOM 0 HD2 ARG A 80 6.280 -10.560 -43.249 1.00 1.67 H new ATOM 0 HD3 ARG A 80 6.793 -12.227 -43.424 1.00 1.67 H new ATOM 0 HE ARG A 80 4.044 -11.802 -44.309 1.00 2.41 H new ATOM 0 HH11 ARG A 80 7.460 -11.592 -45.226 1.00 3.01 H new ATOM 0 HH12 ARG A 80 7.120 -11.729 -46.955 1.00 3.01 H new ATOM 0 HH21 ARG A 80 3.614 -11.940 -46.519 1.00 3.99 H new ATOM 0 HH22 ARG A 80 4.940 -11.926 -47.686 1.00 3.99 H new ATOM 1229 N ASN A 81 1.484 -12.349 -41.279 1.00 0.91 N ATOM 1230 CA ASN A 81 0.894 -13.664 -41.016 1.00 1.01 C ATOM 1231 C ASN A 81 -0.535 -13.767 -41.530 1.00 0.87 C ATOM 1232 O ASN A 81 -0.991 -14.847 -41.895 1.00 1.04 O ATOM 1233 CB ASN A 81 0.906 -13.957 -39.514 1.00 1.16 C ATOM 1234 CG ASN A 81 2.306 -13.987 -38.938 1.00 1.53 C ATOM 1235 OD1 ASN A 81 2.836 -12.957 -38.520 1.00 1.95 O ATOM 1236 ND2 ASN A 81 2.910 -15.166 -38.896 1.00 2.21 N ATOM 0 H ASN A 81 1.269 -11.642 -40.575 1.00 0.91 H new ATOM 0 HA ASN A 81 1.500 -14.397 -41.549 1.00 1.01 H new ATOM 0 HB2 ASN A 81 0.320 -13.199 -38.995 1.00 1.16 H new ATOM 0 HB3 ASN A 81 0.421 -14.916 -39.331 1.00 1.16 H new ATOM 0 HD21 ASN A 81 3.849 -15.244 -38.507 1.00 2.21 H new ATOM 0 HD22 ASN A 81 2.435 -15.995 -39.253 1.00 2.21 H new ATOM 1243 N GLY A 82 -1.240 -12.646 -41.533 1.00 0.68 N ATOM 1244 CA GLY A 82 -2.617 -12.629 -41.987 1.00 0.69 C ATOM 1245 C GLY A 82 -3.615 -12.724 -40.849 1.00 0.52 C ATOM 1246 O GLY A 82 -4.757 -12.280 -40.978 1.00 0.58 O ATOM 0 H GLY A 82 -0.881 -11.742 -41.227 1.00 0.68 H new ATOM 0 HA2 GLY A 82 -2.798 -11.712 -42.547 1.00 0.69 H new ATOM 0 HA3 GLY A 82 -2.778 -13.459 -42.675 1.00 0.69 H new ATOM 1250 N LYS A 83 -3.188 -13.288 -39.725 1.00 0.45 N ATOM 1251 CA LYS A 83 -4.075 -13.440 -38.580 1.00 0.39 C ATOM 1252 C LYS A 83 -4.052 -12.189 -37.720 1.00 0.35 C ATOM 1253 O LYS A 83 -3.291 -11.267 -37.978 1.00 0.49 O ATOM 1254 CB LYS A 83 -3.694 -14.649 -37.722 1.00 0.53 C ATOM 1255 CG LYS A 83 -2.360 -14.497 -37.016 1.00 0.64 C ATOM 1256 CD LYS A 83 -2.344 -15.232 -35.688 1.00 1.01 C ATOM 1257 CE LYS A 83 -1.201 -14.755 -34.807 1.00 1.61 C ATOM 1258 NZ LYS A 83 -1.367 -13.328 -34.403 1.00 2.42 N ATOM 0 H LYS A 83 -2.243 -13.644 -39.583 1.00 0.45 H new ATOM 0 HA LYS A 83 -5.080 -13.599 -38.972 1.00 0.39 H new ATOM 0 HB2 LYS A 83 -4.473 -14.815 -36.978 1.00 0.53 H new ATOM 0 HB3 LYS A 83 -3.662 -15.537 -38.354 1.00 0.53 H new ATOM 0 HG2 LYS A 83 -1.564 -14.880 -37.654 1.00 0.64 H new ATOM 0 HG3 LYS A 83 -2.154 -13.440 -36.850 1.00 0.64 H new ATOM 0 HD2 LYS A 83 -3.292 -15.077 -35.173 1.00 1.01 H new ATOM 0 HD3 LYS A 83 -2.248 -16.303 -35.864 1.00 1.01 H new ATOM 0 HE2 LYS A 83 -1.144 -15.380 -33.916 1.00 1.61 H new ATOM 0 HE3 LYS A 83 -0.258 -14.874 -35.340 1.00 1.61 H new ATOM 0 HZ1 LYS A 83 -0.787 -13.136 -33.561 1.00 2.42 H new ATOM 0 HZ2 LYS A 83 -1.063 -12.709 -35.182 1.00 2.42 H new ATOM 0 HZ3 LYS A 83 -2.367 -13.143 -34.184 1.00 2.42 H new ATOM 1272 N SER A 84 -4.879 -12.161 -36.690 1.00 0.31 N ATOM 1273 CA SER A 84 -4.951 -11.002 -35.821 1.00 0.25 C ATOM 1274 C SER A 84 -4.525 -11.359 -34.396 1.00 0.24 C ATOM 1275 O SER A 84 -4.157 -12.504 -34.107 1.00 0.30 O ATOM 1276 CB SER A 84 -6.375 -10.440 -35.822 1.00 0.27 C ATOM 1277 OG SER A 84 -6.465 -9.252 -35.057 1.00 1.08 O ATOM 0 H SER A 84 -5.507 -12.924 -36.436 1.00 0.31 H new ATOM 0 HA SER A 84 -4.265 -10.244 -36.199 1.00 0.25 H new ATOM 0 HB2 SER A 84 -6.687 -10.238 -36.847 1.00 0.27 H new ATOM 0 HB3 SER A 84 -7.062 -11.185 -35.421 1.00 0.27 H new ATOM 0 HG SER A 84 -6.430 -8.475 -35.654 1.00 1.08 H new ATOM 1283 N SER A 85 -4.574 -10.360 -33.521 1.00 0.20 N ATOM 1284 CA SER A 85 -4.282 -10.518 -32.104 1.00 0.20 C ATOM 1285 C SER A 85 -5.116 -9.500 -31.325 1.00 0.18 C ATOM 1286 O SER A 85 -5.409 -8.426 -31.846 1.00 0.26 O ATOM 1287 CB SER A 85 -2.789 -10.288 -31.844 1.00 0.25 C ATOM 1288 OG SER A 85 -1.991 -10.939 -32.823 1.00 0.87 O ATOM 0 H SER A 85 -4.821 -9.405 -33.782 1.00 0.20 H new ATOM 0 HA SER A 85 -4.531 -11.529 -31.782 1.00 0.20 H new ATOM 0 HB2 SER A 85 -2.577 -9.219 -31.850 1.00 0.25 H new ATOM 0 HB3 SER A 85 -2.528 -10.659 -30.853 1.00 0.25 H new ATOM 0 HG SER A 85 -1.043 -10.775 -32.634 1.00 0.87 H new ATOM 1294 N ALA A 86 -5.526 -9.841 -30.108 1.00 0.14 N ATOM 1295 CA ALA A 86 -6.306 -8.929 -29.292 1.00 0.12 C ATOM 1296 C ALA A 86 -5.394 -8.010 -28.493 1.00 0.13 C ATOM 1297 O ALA A 86 -4.562 -8.470 -27.711 1.00 0.17 O ATOM 1298 CB ALA A 86 -7.233 -9.692 -28.355 1.00 0.13 C ATOM 0 H ALA A 86 -5.330 -10.741 -29.669 1.00 0.14 H new ATOM 0 HA ALA A 86 -6.917 -8.322 -29.960 1.00 0.12 H new ATOM 0 HB1 ALA A 86 -7.806 -8.985 -27.755 1.00 0.13 H new ATOM 0 HB2 ALA A 86 -7.916 -10.308 -28.940 1.00 0.13 H new ATOM 0 HB3 ALA A 86 -6.642 -10.330 -27.698 1.00 0.13 H new ATOM 1304 N CYS A 87 -5.558 -6.715 -28.698 1.00 0.14 N ATOM 1305 CA CYS A 87 -4.777 -5.716 -27.987 1.00 0.17 C ATOM 1306 C CYS A 87 -5.684 -4.844 -27.135 1.00 0.17 C ATOM 1307 O CYS A 87 -6.811 -4.550 -27.537 1.00 0.21 O ATOM 1308 CB CYS A 87 -4.014 -4.847 -28.987 1.00 0.22 C ATOM 1309 SG CYS A 87 -2.629 -5.681 -29.798 1.00 0.68 S ATOM 0 H CYS A 87 -6.232 -6.327 -29.358 1.00 0.14 H new ATOM 0 HA CYS A 87 -4.067 -6.225 -27.336 1.00 0.17 H new ATOM 0 HB2 CYS A 87 -4.709 -4.497 -29.750 1.00 0.22 H new ATOM 0 HB3 CYS A 87 -3.638 -3.964 -28.470 1.00 0.22 H new ATOM 0 HG CYS A 87 -2.052 -4.860 -30.625 1.00 0.68 H new ATOM 1315 N ASN A 88 -5.181 -4.441 -25.972 1.00 0.17 N ATOM 1316 CA ASN A 88 -5.954 -3.645 -25.020 1.00 0.20 C ATOM 1317 C ASN A 88 -7.240 -4.382 -24.630 1.00 0.18 C ATOM 1318 O ASN A 88 -8.335 -3.998 -25.036 1.00 0.27 O ATOM 1319 CB ASN A 88 -6.280 -2.262 -25.607 1.00 0.27 C ATOM 1320 CG ASN A 88 -5.973 -1.124 -24.648 1.00 0.99 C ATOM 1321 OD1 ASN A 88 -4.864 -0.582 -24.643 1.00 1.82 O ATOM 1322 ND2 ASN A 88 -6.955 -0.735 -23.850 1.00 1.60 N ATOM 0 H ASN A 88 -4.233 -4.654 -25.663 1.00 0.17 H new ATOM 0 HA ASN A 88 -5.352 -3.500 -24.123 1.00 0.20 H new ATOM 0 HB2 ASN A 88 -5.711 -2.120 -26.526 1.00 0.27 H new ATOM 0 HB3 ASN A 88 -7.335 -2.228 -25.877 1.00 0.27 H new ATOM 0 HD21 ASN A 88 -6.809 0.038 -23.201 1.00 1.60 H new ATOM 0 HD22 ASN A 88 -7.858 -1.209 -23.884 1.00 1.60 H new ATOM 1329 N VAL A 89 -7.088 -5.461 -23.868 1.00 0.14 N ATOM 1330 CA VAL A 89 -8.215 -6.281 -23.435 1.00 0.15 C ATOM 1331 C VAL A 89 -8.852 -5.712 -22.172 1.00 0.19 C ATOM 1332 O VAL A 89 -8.231 -5.657 -21.114 1.00 0.32 O ATOM 1333 CB VAL A 89 -7.787 -7.748 -23.186 1.00 0.15 C ATOM 1334 CG1 VAL A 89 -8.945 -8.561 -22.633 1.00 0.22 C ATOM 1335 CG2 VAL A 89 -7.282 -8.371 -24.476 1.00 0.14 C ATOM 0 H VAL A 89 -6.183 -5.791 -23.534 1.00 0.14 H new ATOM 0 HA VAL A 89 -8.949 -6.267 -24.241 1.00 0.15 H new ATOM 0 HB VAL A 89 -6.983 -7.750 -22.450 1.00 0.15 H new ATOM 0 HG11 VAL A 89 -8.621 -9.588 -22.466 1.00 0.22 H new ATOM 0 HG12 VAL A 89 -9.277 -8.127 -21.690 1.00 0.22 H new ATOM 0 HG13 VAL A 89 -9.769 -8.552 -23.346 1.00 0.22 H new ATOM 0 HG21 VAL A 89 -6.984 -9.403 -24.289 1.00 0.14 H new ATOM 0 HG22 VAL A 89 -8.075 -8.352 -25.224 1.00 0.14 H new ATOM 0 HG23 VAL A 89 -6.425 -7.806 -24.842 1.00 0.14 H new ATOM 1345 N LEU A 90 -10.092 -5.284 -22.298 1.00 0.11 N ATOM 1346 CA LEU A 90 -10.834 -4.705 -21.188 1.00 0.16 C ATOM 1347 C LEU A 90 -11.946 -5.639 -20.747 1.00 0.11 C ATOM 1348 O LEU A 90 -12.492 -6.381 -21.559 1.00 0.13 O ATOM 1349 CB LEU A 90 -11.452 -3.360 -21.583 1.00 0.26 C ATOM 1350 CG LEU A 90 -10.543 -2.131 -21.477 1.00 0.43 C ATOM 1351 CD1 LEU A 90 -10.072 -1.931 -20.048 1.00 0.99 C ATOM 1352 CD2 LEU A 90 -9.363 -2.255 -22.420 1.00 1.12 C ATOM 0 H LEU A 90 -10.617 -5.326 -23.172 1.00 0.11 H new ATOM 0 HA LEU A 90 -10.131 -4.553 -20.369 1.00 0.16 H new ATOM 0 HB2 LEU A 90 -11.804 -3.436 -22.612 1.00 0.26 H new ATOM 0 HB3 LEU A 90 -12.328 -3.191 -20.958 1.00 0.26 H new ATOM 0 HG LEU A 90 -11.121 -1.254 -21.769 1.00 0.43 H new ATOM 0 HD11 LEU A 90 -9.428 -1.053 -19.997 1.00 0.99 H new ATOM 0 HD12 LEU A 90 -10.935 -1.787 -19.397 1.00 0.99 H new ATOM 0 HD13 LEU A 90 -9.515 -2.809 -19.722 1.00 0.99 H new ATOM 0 HD21 LEU A 90 -8.730 -1.372 -22.329 1.00 1.12 H new ATOM 0 HD22 LEU A 90 -8.785 -3.143 -22.165 1.00 1.12 H new ATOM 0 HD23 LEU A 90 -9.724 -2.339 -23.445 1.00 1.12 H new ATOM 1364 N LYS A 91 -12.274 -5.604 -19.465 1.00 0.16 N ATOM 1365 CA LYS A 91 -13.402 -6.365 -18.957 1.00 0.18 C ATOM 1366 C LYS A 91 -14.686 -5.593 -19.227 1.00 0.18 C ATOM 1367 O LYS A 91 -14.825 -4.438 -18.825 1.00 0.32 O ATOM 1368 CB LYS A 91 -13.269 -6.640 -17.452 1.00 0.27 C ATOM 1369 CG LYS A 91 -13.576 -8.085 -17.069 1.00 0.45 C ATOM 1370 CD LYS A 91 -14.900 -8.553 -17.653 1.00 0.59 C ATOM 1371 CE LYS A 91 -16.081 -8.108 -16.811 1.00 0.71 C ATOM 1372 NZ LYS A 91 -16.233 -8.953 -15.599 1.00 1.33 N ATOM 0 H LYS A 91 -11.777 -5.059 -18.761 1.00 0.16 H new ATOM 0 HA LYS A 91 -13.424 -7.327 -19.469 1.00 0.18 H new ATOM 0 HB2 LYS A 91 -12.256 -6.395 -17.134 1.00 0.27 H new ATOM 0 HB3 LYS A 91 -13.942 -5.977 -16.908 1.00 0.27 H new ATOM 0 HG2 LYS A 91 -12.774 -8.733 -17.421 1.00 0.45 H new ATOM 0 HG3 LYS A 91 -13.605 -8.175 -15.983 1.00 0.45 H new ATOM 0 HD2 LYS A 91 -15.008 -8.162 -18.665 1.00 0.59 H new ATOM 0 HD3 LYS A 91 -14.898 -9.640 -17.730 1.00 0.59 H new ATOM 0 HE2 LYS A 91 -15.948 -7.067 -16.516 1.00 0.71 H new ATOM 0 HE3 LYS A 91 -16.993 -8.156 -17.406 1.00 0.71 H new ATOM 0 HZ1 LYS A 91 -17.239 -9.012 -15.341 1.00 1.33 H new ATOM 0 HZ2 LYS A 91 -15.869 -9.908 -15.794 1.00 1.33 H new ATOM 0 HZ3 LYS A 91 -15.698 -8.532 -14.813 1.00 1.33 H new ATOM 1386 N ILE A 92 -15.611 -6.234 -19.909 1.00 0.16 N ATOM 1387 CA ILE A 92 -16.831 -5.577 -20.330 1.00 0.18 C ATOM 1388 C ILE A 92 -18.018 -6.015 -19.492 1.00 0.27 C ATOM 1389 O ILE A 92 -18.208 -7.201 -19.228 1.00 0.28 O ATOM 1390 CB ILE A 92 -17.103 -5.853 -21.823 1.00 0.16 C ATOM 1391 CG1 ILE A 92 -16.057 -5.138 -22.672 1.00 0.15 C ATOM 1392 CG2 ILE A 92 -18.503 -5.419 -22.227 1.00 0.21 C ATOM 1393 CD1 ILE A 92 -16.062 -3.637 -22.490 1.00 0.16 C ATOM 0 H ILE A 92 -15.541 -7.213 -20.185 1.00 0.16 H new ATOM 0 HA ILE A 92 -16.696 -4.505 -20.185 1.00 0.18 H new ATOM 0 HB ILE A 92 -17.035 -6.928 -21.991 1.00 0.16 H new ATOM 0 HG12 ILE A 92 -15.069 -5.524 -22.420 1.00 0.15 H new ATOM 0 HG13 ILE A 92 -16.232 -5.370 -23.723 1.00 0.15 H new ATOM 0 HG21 ILE A 92 -18.658 -5.629 -23.285 1.00 0.21 H new ATOM 0 HG22 ILE A 92 -19.238 -5.966 -21.637 1.00 0.21 H new ATOM 0 HG23 ILE A 92 -18.618 -4.350 -22.049 1.00 0.21 H new ATOM 0 HD11 ILE A 92 -15.294 -3.191 -23.122 1.00 0.16 H new ATOM 0 HD12 ILE A 92 -17.038 -3.240 -22.769 1.00 0.16 H new ATOM 0 HD13 ILE A 92 -15.857 -3.396 -21.447 1.00 0.16 H new ATOM 1405 N ASN A 93 -18.796 -5.041 -19.059 1.00 0.45 N ATOM 1406 CA ASN A 93 -20.041 -5.310 -18.367 1.00 0.65 C ATOM 1407 C ASN A 93 -21.116 -5.639 -19.394 1.00 0.72 C ATOM 1408 O ASN A 93 -21.390 -4.852 -20.302 1.00 0.80 O ATOM 1409 CB ASN A 93 -20.456 -4.118 -17.482 1.00 0.84 C ATOM 1410 CG ASN A 93 -20.552 -2.802 -18.239 1.00 1.79 C ATOM 1411 OD1 ASN A 93 -21.616 -2.430 -18.737 1.00 2.50 O ATOM 1412 ND2 ASN A 93 -19.441 -2.078 -18.320 1.00 2.57 N ATOM 0 H ASN A 93 -18.585 -4.050 -19.176 1.00 0.45 H new ATOM 0 HA ASN A 93 -19.907 -6.164 -17.703 1.00 0.65 H new ATOM 0 HB2 ASN A 93 -21.421 -4.335 -17.024 1.00 0.84 H new ATOM 0 HB3 ASN A 93 -19.735 -4.010 -16.672 1.00 0.84 H new ATOM 0 HD21 ASN A 93 -19.451 -1.182 -18.807 1.00 2.57 H new ATOM 0 HD22 ASN A 93 -18.578 -2.418 -17.895 1.00 2.57 H new ATOM 1419 N ASP A 94 -21.693 -6.822 -19.272 1.00 0.91 N ATOM 1420 CA ASP A 94 -22.668 -7.292 -20.250 1.00 1.18 C ATOM 1421 C ASP A 94 -24.056 -6.761 -19.924 1.00 1.71 C ATOM 1422 O ASP A 94 -24.266 -6.149 -18.872 1.00 2.21 O ATOM 1423 CB ASP A 94 -22.694 -8.821 -20.301 1.00 1.74 C ATOM 1424 CG ASP A 94 -23.461 -9.339 -21.502 1.00 2.42 C ATOM 1425 OD1 ASP A 94 -24.708 -9.291 -21.494 1.00 3.08 O ATOM 1426 OD2 ASP A 94 -22.815 -9.791 -22.467 1.00 2.81 O ATOM 0 H ASP A 94 -21.507 -7.474 -18.510 1.00 0.91 H new ATOM 0 HA ASP A 94 -22.368 -6.915 -21.228 1.00 1.18 H new ATOM 0 HB2 ASP A 94 -21.672 -9.200 -20.333 1.00 1.74 H new ATOM 0 HB3 ASP A 94 -23.148 -9.206 -19.388 1.00 1.74 H new TER 1431 ASP A 94