USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=21 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 21 ASN : amide:sc= 0.23 K(o=0.23,f=-4.8!) USER MOD Set 1.2: A 87 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 77 THR OG1 : rot -50:sc= 0.489 USER MOD Set 2.2: A 84 SER OG : rot 180:sc= 0.412 USER MOD Set 3.1: A 78 ASN : amide:sc= 1.3 K(o=2.1,f=0.57) USER MOD Set 3.2: A 85 SER OG : rot -96:sc= 0.75 USER MOD Set 4.1: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 42 ASN : amide:sc= -1.6! C(o=-1.6!,f=-12!) USER MOD Set 5.1: A 26 LYS NZ :NH3+ -160:sc= 1.01 (180deg=0.524) USER MOD Set 5.2: A 88 ASN :FLIP amide:sc= -0.522 F(o=-1,f=0.48) USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.128 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -170:sc= -0.0189 (180deg=-0.156) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -166:sc= -1.52! USER MOD Single : A 19 CYS SG : rot 180:sc= -0.0147 USER MOD Single : A 25 GLN : amide:sc= -0.299 K(o=-0.3,f=-0.82) USER MOD Single : A 27 LYS NZ :NH3+ -167:sc= -0.587 (180deg=-0.769) USER MOD Single : A 33 SER OG : rot -97:sc= 1.3 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.0257 K(o=-0.026,f=-1.3) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -168:sc= 1.16 (180deg=1.07) USER MOD Single : A 54 HIS :FLIP no HE2:sc= -0.334 F(o=-2,f=-0.33) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -93:sc= 1.02 USER MOD Single : A 59 GLN : amide:sc= -0.101 K(o=-0.1,f=-0.94!) USER MOD Single : A 61 ASN : amide:sc= -0.699 K(o=-0.7,f=-1.8) 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 180:sc= 0 USER MOD Single : A 74 SER OG : rot 74:sc= 0.844 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 81 ASN : amide:sc= -0.0341 K(o=-0.034,f=-1.1) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -169:sc= 1.22 (180deg=1.11) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.801 14.273 -0.473 1.00 18.66 N ATOM 2 CA GLY A 1 -6.373 12.978 -0.781 1.00 18.87 C ATOM 3 C GLY A 1 -5.303 11.920 -0.946 1.00 18.23 C ATOM 4 O GLY A 1 -4.112 12.229 -0.878 1.00 18.31 O ATOM 0 H1 GLY A 1 -6.147 14.594 0.454 1.00 18.66 H new ATOM 0 H2 GLY A 1 -4.764 14.197 -0.448 1.00 18.66 H new ATOM 0 H3 GLY A 1 -6.081 14.959 -1.203 1.00 18.66 H new ATOM 0 HA2 GLY A 1 -7.057 12.683 0.015 1.00 18.87 H new ATOM 0 HA3 GLY A 1 -6.960 13.048 -1.696 1.00 18.87 H new ATOM 8 N ALA A 2 -5.713 10.684 -1.183 1.00 17.70 N ATOM 9 CA ALA A 2 -4.772 9.575 -1.262 1.00 17.18 C ATOM 10 C ALA A 2 -5.222 8.541 -2.282 1.00 16.38 C ATOM 11 O ALA A 2 -6.392 8.497 -2.665 1.00 16.21 O ATOM 12 CB ALA A 2 -4.611 8.922 0.103 1.00 17.38 C ATOM 0 H ALA A 2 -6.689 10.422 -1.324 1.00 17.70 H new ATOM 0 HA ALA A 2 -3.811 9.975 -1.584 1.00 17.18 H new ATOM 0 HB1 ALA A 2 -3.905 8.095 0.030 1.00 17.38 H new ATOM 0 HB2 ALA A 2 -4.236 9.657 0.816 1.00 17.38 H new ATOM 0 HB3 ALA A 2 -5.576 8.546 0.443 1.00 17.38 H new ATOM 18 N LYS A 3 -4.287 7.713 -2.711 1.00 16.02 N ATOM 19 CA LYS A 3 -4.572 6.653 -3.662 1.00 15.35 C ATOM 20 C LYS A 3 -4.937 5.375 -2.912 1.00 14.78 C ATOM 21 O LYS A 3 -4.181 4.920 -2.050 1.00 14.87 O ATOM 22 CB LYS A 3 -3.347 6.414 -4.551 1.00 15.66 C ATOM 23 CG LYS A 3 -3.553 5.360 -5.630 1.00 16.14 C ATOM 24 CD LYS A 3 -4.525 5.824 -6.703 1.00 16.34 C ATOM 25 CE LYS A 3 -4.782 4.732 -7.733 1.00 16.93 C ATOM 26 NZ LYS A 3 -3.535 4.293 -8.414 1.00 17.44 N ATOM 0 H LYS A 3 -3.313 7.755 -2.412 1.00 16.02 H new ATOM 0 HA LYS A 3 -5.413 6.946 -4.291 1.00 15.35 H new ATOM 0 HB2 LYS A 3 -3.068 7.354 -5.026 1.00 15.66 H new ATOM 0 HB3 LYS A 3 -2.509 6.114 -3.922 1.00 15.66 H new ATOM 0 HG2 LYS A 3 -2.594 5.119 -6.089 1.00 16.14 H new ATOM 0 HG3 LYS A 3 -3.927 4.443 -5.174 1.00 16.14 H new ATOM 0 HD2 LYS A 3 -5.467 6.118 -6.240 1.00 16.34 H new ATOM 0 HD3 LYS A 3 -4.125 6.708 -7.200 1.00 16.34 H new ATOM 0 HE2 LYS A 3 -5.246 3.876 -7.243 1.00 16.93 H new ATOM 0 HE3 LYS A 3 -5.490 5.097 -8.477 1.00 16.93 H new ATOM 0 HZ1 LYS A 3 -3.776 3.678 -9.217 1.00 17.44 H new ATOM 0 HZ2 LYS A 3 -3.016 5.126 -8.759 1.00 17.44 H new ATOM 0 HZ3 LYS A 3 -2.939 3.768 -7.743 1.00 17.44 H new ATOM 40 N GLY A 4 -6.098 4.808 -3.217 1.00 14.34 N ATOM 41 CA GLY A 4 -6.493 3.571 -2.570 1.00 13.91 C ATOM 42 C GLY A 4 -7.982 3.295 -2.649 1.00 13.19 C ATOM 43 O GLY A 4 -8.401 2.137 -2.651 1.00 13.08 O ATOM 0 H GLY A 4 -6.767 5.177 -3.893 1.00 14.34 H new ATOM 0 HA2 GLY A 4 -5.953 2.742 -3.028 1.00 13.91 H new ATOM 0 HA3 GLY A 4 -6.193 3.606 -1.523 1.00 13.91 H new ATOM 47 N ASP A 5 -8.790 4.345 -2.706 1.00 12.83 N ATOM 48 CA ASP A 5 -10.241 4.173 -2.745 1.00 12.29 C ATOM 49 C ASP A 5 -10.733 4.159 -4.190 1.00 11.32 C ATOM 50 O ASP A 5 -9.950 4.366 -5.120 1.00 11.07 O ATOM 51 CB ASP A 5 -10.935 5.282 -1.950 1.00 12.76 C ATOM 52 CG ASP A 5 -12.258 4.833 -1.355 1.00 13.25 C ATOM 53 OD1 ASP A 5 -12.288 4.515 -0.146 1.00 13.69 O ATOM 54 OD2 ASP A 5 -13.262 4.782 -2.092 1.00 13.33 O ATOM 0 H ASP A 5 -8.474 5.314 -2.726 1.00 12.83 H new ATOM 0 HA ASP A 5 -10.490 3.217 -2.285 1.00 12.29 H new ATOM 0 HB2 ASP A 5 -10.276 5.617 -1.149 1.00 12.76 H new ATOM 0 HB3 ASP A 5 -11.106 6.139 -2.602 1.00 12.76 H new ATOM 59 N LEU A 6 -12.025 3.933 -4.382 1.00 10.94 N ATOM 60 CA LEU A 6 -12.586 3.789 -5.716 1.00 10.15 C ATOM 61 C LEU A 6 -13.207 5.093 -6.203 1.00 9.46 C ATOM 62 O LEU A 6 -14.033 5.699 -5.518 1.00 9.68 O ATOM 63 CB LEU A 6 -13.638 2.677 -5.741 1.00 10.29 C ATOM 64 CG LEU A 6 -13.116 1.268 -5.432 1.00 10.86 C ATOM 65 CD1 LEU A 6 -14.261 0.263 -5.424 1.00 11.39 C ATOM 66 CD2 LEU A 6 -12.056 0.850 -6.444 1.00 10.88 C ATOM 0 H LEU A 6 -12.706 3.845 -3.627 1.00 10.94 H new ATOM 0 HA LEU A 6 -11.768 3.526 -6.387 1.00 10.15 H new ATOM 0 HB2 LEU A 6 -14.418 2.923 -5.021 1.00 10.29 H new ATOM 0 HB3 LEU A 6 -14.105 2.665 -6.726 1.00 10.29 H new ATOM 0 HG LEU A 6 -12.660 1.286 -4.442 1.00 10.86 H new ATOM 0 HD11 LEU A 6 -13.871 -0.731 -5.203 1.00 11.39 H new ATOM 0 HD12 LEU A 6 -14.988 0.545 -4.662 1.00 11.39 H new ATOM 0 HD13 LEU A 6 -14.744 0.254 -6.401 1.00 11.39 H new ATOM 0 HD21 LEU A 6 -11.700 -0.152 -6.205 1.00 10.88 H new ATOM 0 HD22 LEU A 6 -12.487 0.853 -7.445 1.00 10.88 H new ATOM 0 HD23 LEU A 6 -11.221 1.550 -6.407 1.00 10.88 H new ATOM 78 N VAL A 7 -12.794 5.519 -7.386 1.00 8.82 N ATOM 79 CA VAL A 7 -13.369 6.682 -8.045 1.00 8.29 C ATOM 80 C VAL A 7 -13.189 6.552 -9.553 1.00 7.44 C ATOM 81 O VAL A 7 -12.086 6.294 -10.039 1.00 7.11 O ATOM 82 CB VAL A 7 -12.761 8.012 -7.526 1.00 8.29 C ATOM 83 CG1 VAL A 7 -11.247 8.023 -7.667 1.00 8.14 C ATOM 84 CG2 VAL A 7 -13.377 9.210 -8.245 1.00 8.52 C ATOM 0 H VAL A 7 -12.050 5.068 -7.918 1.00 8.82 H new ATOM 0 HA VAL A 7 -14.432 6.714 -7.808 1.00 8.29 H new ATOM 0 HB VAL A 7 -12.998 8.089 -6.465 1.00 8.29 H new ATOM 0 HG11 VAL A 7 -10.854 8.969 -7.294 1.00 8.14 H new ATOM 0 HG12 VAL A 7 -10.822 7.201 -7.091 1.00 8.14 H new ATOM 0 HG13 VAL A 7 -10.979 7.907 -8.717 1.00 8.14 H new ATOM 0 HG21 VAL A 7 -12.934 10.130 -7.864 1.00 8.52 H new ATOM 0 HG22 VAL A 7 -13.184 9.131 -9.315 1.00 8.52 H new ATOM 0 HG23 VAL A 7 -14.453 9.225 -8.070 1.00 8.52 H new ATOM 94 N SER A 8 -14.283 6.673 -10.287 1.00 7.35 N ATOM 95 CA SER A 8 -14.244 6.534 -11.730 1.00 6.76 C ATOM 96 C SER A 8 -13.839 7.851 -12.381 1.00 6.25 C ATOM 97 O SER A 8 -14.664 8.751 -12.548 1.00 6.60 O ATOM 98 CB SER A 8 -15.605 6.080 -12.254 1.00 7.45 C ATOM 99 OG SER A 8 -16.060 4.929 -11.552 1.00 7.95 O ATOM 0 H SER A 8 -15.209 6.867 -9.905 1.00 7.35 H new ATOM 0 HA SER A 8 -13.501 5.779 -11.986 1.00 6.76 H new ATOM 0 HB2 SER A 8 -16.329 6.887 -12.145 1.00 7.45 H new ATOM 0 HB3 SER A 8 -15.534 5.857 -13.319 1.00 7.45 H new ATOM 0 HG SER A 8 -16.934 4.656 -11.902 1.00 7.95 H new ATOM 105 N PHE A 9 -12.561 7.975 -12.712 1.00 5.71 N ATOM 106 CA PHE A 9 -12.052 9.177 -13.346 1.00 5.49 C ATOM 107 C PHE A 9 -11.378 8.821 -14.658 1.00 4.56 C ATOM 108 O PHE A 9 -10.872 9.689 -15.375 1.00 4.58 O ATOM 109 CB PHE A 9 -11.062 9.897 -12.418 1.00 5.95 C ATOM 110 CG PHE A 9 -9.801 9.124 -12.116 1.00 6.09 C ATOM 111 CD1 PHE A 9 -8.617 9.417 -12.773 1.00 6.22 C ATOM 112 CD2 PHE A 9 -9.806 8.095 -11.185 1.00 6.41 C ATOM 113 CE1 PHE A 9 -7.462 8.707 -12.506 1.00 6.69 C ATOM 114 CE2 PHE A 9 -8.653 7.381 -10.911 1.00 6.91 C ATOM 115 CZ PHE A 9 -7.471 7.714 -11.543 1.00 7.07 C ATOM 0 H PHE A 9 -11.858 7.254 -12.550 1.00 5.71 H new ATOM 0 HA PHE A 9 -12.887 9.849 -13.545 1.00 5.49 H new ATOM 0 HB2 PHE A 9 -10.788 10.850 -12.871 1.00 5.95 H new ATOM 0 HB3 PHE A 9 -11.566 10.124 -11.479 1.00 5.95 H new ATOM 0 HD1 PHE A 9 -8.596 10.212 -13.504 1.00 6.22 H new ATOM 0 HD2 PHE A 9 -10.721 7.848 -10.668 1.00 6.41 H new ATOM 0 HE1 PHE A 9 -6.554 8.927 -13.048 1.00 6.69 H new ATOM 0 HE2 PHE A 9 -8.677 6.565 -10.204 1.00 6.91 H new ATOM 0 HZ PHE A 9 -6.556 7.201 -11.286 1.00 7.07 H new ATOM 125 N ARG A 10 -11.377 7.534 -14.970 1.00 4.03 N ATOM 126 CA ARG A 10 -10.654 7.042 -16.122 1.00 3.33 C ATOM 127 C ARG A 10 -11.374 5.896 -16.803 1.00 2.88 C ATOM 128 O ARG A 10 -11.870 4.975 -16.151 1.00 3.18 O ATOM 129 CB ARG A 10 -9.259 6.608 -15.700 1.00 3.50 C ATOM 130 CG ARG A 10 -8.195 7.620 -16.063 1.00 3.95 C ATOM 131 CD ARG A 10 -8.020 7.717 -17.571 1.00 4.08 C ATOM 132 NE ARG A 10 -7.332 6.555 -18.136 1.00 4.93 N ATOM 133 CZ ARG A 10 -6.522 6.622 -19.192 1.00 5.72 C ATOM 134 NH1 ARG A 10 -6.325 7.783 -19.811 1.00 5.83 N ATOM 135 NH2 ARG A 10 -5.938 5.524 -19.651 1.00 6.67 N ATOM 0 H ARG A 10 -11.870 6.816 -14.439 1.00 4.03 H new ATOM 0 HA ARG A 10 -10.587 7.855 -16.845 1.00 3.33 H new ATOM 0 HB2 ARG A 10 -9.245 6.444 -14.623 1.00 3.50 H new ATOM 0 HB3 ARG A 10 -9.022 5.654 -16.171 1.00 3.50 H new ATOM 0 HG2 ARG A 10 -8.466 8.597 -15.662 1.00 3.95 H new ATOM 0 HG3 ARG A 10 -7.249 7.338 -15.602 1.00 3.95 H new ATOM 0 HD2 ARG A 10 -8.999 7.818 -18.040 1.00 4.08 H new ATOM 0 HD3 ARG A 10 -7.457 8.619 -17.810 1.00 4.08 H new ATOM 0 HE ARG A 10 -7.480 5.646 -17.698 1.00 4.93 H new ATOM 0 HH11 ARG A 10 -6.795 8.625 -19.478 1.00 5.83 H new ATOM 0 HH12 ARG A 10 -5.704 7.831 -20.619 1.00 5.83 H new ATOM 0 HH21 ARG A 10 -6.109 4.627 -19.196 1.00 6.67 H new ATOM 0 HH22 ARG A 10 -5.318 5.576 -20.459 1.00 6.67 H new ATOM 149 N ILE A 11 -11.424 5.972 -18.126 1.00 2.34 N ATOM 150 CA ILE A 11 -12.032 4.932 -18.935 1.00 1.99 C ATOM 151 C ILE A 11 -11.102 4.574 -20.085 1.00 1.73 C ATOM 152 O ILE A 11 -10.742 5.432 -20.890 1.00 1.72 O ATOM 153 CB ILE A 11 -13.401 5.350 -19.521 1.00 1.97 C ATOM 154 CG1 ILE A 11 -14.327 5.945 -18.453 1.00 2.38 C ATOM 155 CG2 ILE A 11 -14.057 4.149 -20.174 1.00 2.00 C ATOM 156 CD1 ILE A 11 -14.132 7.435 -18.227 1.00 2.89 C ATOM 0 H ILE A 11 -11.046 6.752 -18.663 1.00 2.34 H new ATOM 0 HA ILE A 11 -12.197 4.077 -18.279 1.00 1.99 H new ATOM 0 HB ILE A 11 -13.226 6.128 -20.264 1.00 1.97 H new ATOM 0 HG12 ILE A 11 -15.362 5.764 -18.743 1.00 2.38 H new ATOM 0 HG13 ILE A 11 -14.163 5.421 -17.512 1.00 2.38 H new ATOM 0 HG21 ILE A 11 -15.022 4.442 -20.588 1.00 2.00 H new ATOM 0 HG22 ILE A 11 -13.418 3.775 -20.974 1.00 2.00 H new ATOM 0 HG23 ILE A 11 -14.203 3.365 -19.431 1.00 2.00 H new ATOM 0 HD11 ILE A 11 -14.823 7.780 -17.458 1.00 2.89 H new ATOM 0 HD12 ILE A 11 -13.108 7.623 -17.905 1.00 2.89 H new ATOM 0 HD13 ILE A 11 -14.325 7.972 -19.156 1.00 2.89 H new ATOM 168 N ASP A 12 -10.704 3.314 -20.158 1.00 1.73 N ATOM 169 CA ASP A 12 -9.764 2.876 -21.185 1.00 1.71 C ATOM 170 C ASP A 12 -10.486 2.334 -22.414 1.00 1.43 C ATOM 171 O ASP A 12 -9.892 2.200 -23.486 1.00 1.54 O ATOM 172 CB ASP A 12 -8.805 1.830 -20.620 1.00 2.04 C ATOM 173 CG ASP A 12 -7.923 2.404 -19.527 1.00 2.64 C ATOM 174 OD1 ASP A 12 -6.838 2.941 -19.848 1.00 3.29 O ATOM 175 OD2 ASP A 12 -8.319 2.336 -18.345 1.00 2.90 O ATOM 0 H ASP A 12 -11.013 2.578 -19.523 1.00 1.73 H new ATOM 0 HA ASP A 12 -9.188 3.746 -21.500 1.00 1.71 H new ATOM 0 HB2 ASP A 12 -9.376 0.991 -20.223 1.00 2.04 H new ATOM 0 HB3 ASP A 12 -8.180 1.439 -21.423 1.00 2.04 H new ATOM 180 N GLU A 13 -11.778 2.049 -22.270 1.00 1.24 N ATOM 181 CA GLU A 13 -12.584 1.600 -23.403 1.00 1.15 C ATOM 182 C GLU A 13 -13.110 2.809 -24.174 1.00 1.28 C ATOM 183 O GLU A 13 -13.849 2.677 -25.147 1.00 1.50 O ATOM 184 CB GLU A 13 -13.749 0.717 -22.936 1.00 1.15 C ATOM 185 CG GLU A 13 -14.829 1.468 -22.174 1.00 1.58 C ATOM 186 CD GLU A 13 -16.022 0.600 -21.839 1.00 2.18 C ATOM 187 OE1 GLU A 13 -16.145 0.182 -20.670 1.00 2.35 O ATOM 188 OE2 GLU A 13 -16.842 0.338 -22.746 1.00 2.96 O ATOM 0 H GLU A 13 -12.286 2.120 -21.388 1.00 1.24 H new ATOM 0 HA GLU A 13 -11.953 1.002 -24.060 1.00 1.15 H new ATOM 0 HB2 GLU A 13 -14.199 0.238 -23.805 1.00 1.15 H new ATOM 0 HB3 GLU A 13 -13.357 -0.078 -22.301 1.00 1.15 H new ATOM 0 HG2 GLU A 13 -14.406 1.867 -21.252 1.00 1.58 H new ATOM 0 HG3 GLU A 13 -15.161 2.320 -22.768 1.00 1.58 H new ATOM 195 N SER A 14 -12.683 3.992 -23.741 1.00 1.27 N ATOM 196 CA SER A 14 -13.117 5.254 -24.330 1.00 1.50 C ATOM 197 C SER A 14 -12.485 5.510 -25.703 1.00 1.59 C ATOM 198 O SER A 14 -12.491 6.640 -26.192 1.00 1.85 O ATOM 199 CB SER A 14 -12.795 6.401 -23.368 1.00 1.61 C ATOM 200 OG SER A 14 -13.743 6.467 -22.323 1.00 2.31 O ATOM 0 H SER A 14 -12.025 4.102 -22.970 1.00 1.27 H new ATOM 0 HA SER A 14 -14.194 5.194 -24.490 1.00 1.50 H new ATOM 0 HB2 SER A 14 -11.798 6.261 -22.951 1.00 1.61 H new ATOM 0 HB3 SER A 14 -12.783 7.345 -23.913 1.00 1.61 H new ATOM 0 HG SER A 14 -13.654 7.323 -21.854 1.00 2.31 H new ATOM 206 N GLY A 15 -11.956 4.460 -26.323 1.00 1.50 N ATOM 207 CA GLY A 15 -11.477 4.565 -27.689 1.00 1.67 C ATOM 208 C GLY A 15 -10.289 5.493 -27.845 1.00 1.66 C ATOM 209 O GLY A 15 -10.378 6.492 -28.554 1.00 1.86 O ATOM 0 H GLY A 15 -11.850 3.537 -25.903 1.00 1.50 H new ATOM 0 HA2 GLY A 15 -11.202 3.573 -28.046 1.00 1.67 H new ATOM 0 HA3 GLY A 15 -12.289 4.918 -28.324 1.00 1.67 H new ATOM 213 N ARG A 16 -9.190 5.187 -27.163 1.00 1.69 N ATOM 214 CA ARG A 16 -7.985 6.010 -27.263 1.00 1.95 C ATOM 215 C ARG A 16 -7.468 6.038 -28.700 1.00 1.94 C ATOM 216 O ARG A 16 -6.824 5.097 -29.154 1.00 1.95 O ATOM 217 CB ARG A 16 -6.892 5.473 -26.341 1.00 2.42 C ATOM 218 CG ARG A 16 -7.290 5.411 -24.878 1.00 2.50 C ATOM 219 CD ARG A 16 -7.584 6.791 -24.303 1.00 2.87 C ATOM 220 NE ARG A 16 -6.484 7.737 -24.520 1.00 3.47 N ATOM 221 CZ ARG A 16 -5.323 7.706 -23.858 1.00 4.27 C ATOM 222 NH1 ARG A 16 -5.050 6.710 -23.021 1.00 4.62 N ATOM 223 NH2 ARG A 16 -4.415 8.654 -24.058 1.00 5.03 N ATOM 0 H ARG A 16 -9.106 4.384 -26.540 1.00 1.69 H new ATOM 0 HA ARG A 16 -8.245 7.024 -26.959 1.00 1.95 H new ATOM 0 HB2 ARG A 16 -6.611 4.473 -26.673 1.00 2.42 H new ATOM 0 HB3 ARG A 16 -6.007 6.102 -26.439 1.00 2.42 H new ATOM 0 HG2 ARG A 16 -8.171 4.779 -24.769 1.00 2.50 H new ATOM 0 HG3 ARG A 16 -6.489 4.943 -24.305 1.00 2.50 H new ATOM 0 HD2 ARG A 16 -8.493 7.185 -24.759 1.00 2.87 H new ATOM 0 HD3 ARG A 16 -7.776 6.702 -23.234 1.00 2.87 H new ATOM 0 HE ARG A 16 -6.613 8.466 -25.222 1.00 3.47 H new ATOM 0 HH11 ARG A 16 -5.729 5.962 -22.880 1.00 4.62 H new ATOM 0 HH12 ARG A 16 -4.162 6.694 -22.520 1.00 4.62 H new ATOM 0 HH21 ARG A 16 -4.602 9.409 -24.718 1.00 5.03 H new ATOM 0 HH22 ARG A 16 -3.530 8.628 -23.551 1.00 5.03 H new ATOM 237 N ALA A 17 -7.785 7.107 -29.413 1.00 2.02 N ATOM 238 CA ALA A 17 -7.398 7.238 -30.809 1.00 2.12 C ATOM 239 C ALA A 17 -6.009 7.849 -30.972 1.00 2.12 C ATOM 240 O ALA A 17 -5.289 7.530 -31.916 1.00 2.20 O ATOM 241 CB ALA A 17 -8.436 8.056 -31.561 1.00 2.37 C ATOM 0 H ALA A 17 -8.312 7.900 -29.046 1.00 2.02 H new ATOM 0 HA ALA A 17 -7.352 6.235 -31.233 1.00 2.12 H new ATOM 0 HB1 ALA A 17 -8.139 8.149 -32.605 1.00 2.37 H new ATOM 0 HB2 ALA A 17 -9.404 7.558 -31.502 1.00 2.37 H new ATOM 0 HB3 ALA A 17 -8.511 9.048 -31.115 1.00 2.37 H new ATOM 247 N ALA A 18 -5.641 8.729 -30.048 1.00 2.11 N ATOM 248 CA ALA A 18 -4.395 9.480 -30.159 1.00 2.25 C ATOM 249 C ALA A 18 -3.183 8.576 -29.982 1.00 2.18 C ATOM 250 O ALA A 18 -2.149 8.778 -30.620 1.00 2.38 O ATOM 251 CB ALA A 18 -4.368 10.614 -29.146 1.00 2.35 C ATOM 0 H ALA A 18 -6.188 8.940 -29.213 1.00 2.11 H new ATOM 0 HA ALA A 18 -4.348 9.904 -31.162 1.00 2.25 H new ATOM 0 HB1 ALA A 18 -3.432 11.165 -29.241 1.00 2.35 H new ATOM 0 HB2 ALA A 18 -5.206 11.287 -29.331 1.00 2.35 H new ATOM 0 HB3 ALA A 18 -4.447 10.204 -28.139 1.00 2.35 H new ATOM 257 N CYS A 19 -3.318 7.579 -29.123 1.00 1.97 N ATOM 258 CA CYS A 19 -2.249 6.626 -28.896 1.00 1.94 C ATOM 259 C CYS A 19 -2.823 5.258 -28.540 1.00 1.77 C ATOM 260 O CYS A 19 -3.701 5.143 -27.680 1.00 1.77 O ATOM 261 CB CYS A 19 -1.318 7.131 -27.788 1.00 2.16 C ATOM 262 SG CYS A 19 -2.171 7.629 -26.275 1.00 2.75 S ATOM 0 H CYS A 19 -4.159 7.410 -28.572 1.00 1.97 H new ATOM 0 HA CYS A 19 -1.669 6.523 -29.813 1.00 1.94 H new ATOM 0 HB2 CYS A 19 -0.600 6.347 -27.546 1.00 2.16 H new ATOM 0 HB3 CYS A 19 -0.748 7.979 -28.166 1.00 2.16 H new ATOM 0 HG CYS A 19 -1.300 8.037 -25.400 1.00 2.75 H new ATOM 268 N VAL A 20 -2.316 4.232 -29.211 1.00 1.71 N ATOM 269 CA VAL A 20 -2.777 2.864 -29.027 1.00 1.67 C ATOM 270 C VAL A 20 -1.785 1.913 -29.699 1.00 1.62 C ATOM 271 O VAL A 20 -1.089 2.307 -30.635 1.00 1.57 O ATOM 272 CB VAL A 20 -4.201 2.673 -29.609 1.00 1.72 C ATOM 273 CG1 VAL A 20 -4.221 2.919 -31.108 1.00 1.74 C ATOM 274 CG2 VAL A 20 -4.756 1.297 -29.269 1.00 1.88 C ATOM 0 H VAL A 20 -1.571 4.327 -29.901 1.00 1.71 H new ATOM 0 HA VAL A 20 -2.830 2.643 -27.961 1.00 1.67 H new ATOM 0 HB VAL A 20 -4.850 3.415 -29.144 1.00 1.72 H new ATOM 0 HG11 VAL A 20 -5.233 2.777 -31.486 1.00 1.74 H new ATOM 0 HG12 VAL A 20 -3.896 3.939 -31.314 1.00 1.74 H new ATOM 0 HG13 VAL A 20 -3.548 2.217 -31.601 1.00 1.74 H new ATOM 0 HG21 VAL A 20 -5.756 1.193 -29.691 1.00 1.88 H new ATOM 0 HG22 VAL A 20 -4.105 0.529 -29.686 1.00 1.88 H new ATOM 0 HG23 VAL A 20 -4.805 1.182 -28.186 1.00 1.88 H new ATOM 284 N ASN A 21 -1.701 0.683 -29.213 1.00 1.71 N ATOM 285 CA ASN A 21 -0.731 -0.278 -29.731 1.00 1.70 C ATOM 286 C ASN A 21 -1.344 -1.127 -30.843 1.00 1.72 C ATOM 287 O ASN A 21 -0.747 -2.103 -31.295 1.00 2.62 O ATOM 288 CB ASN A 21 -0.201 -1.177 -28.604 1.00 1.73 C ATOM 289 CG ASN A 21 -1.270 -2.075 -27.997 1.00 2.10 C ATOM 290 OD1 ASN A 21 -2.443 -1.704 -27.908 1.00 2.71 O ATOM 291 ND2 ASN A 21 -0.871 -3.264 -27.570 1.00 2.48 N ATOM 0 H ASN A 21 -2.291 0.325 -28.462 1.00 1.71 H new ATOM 0 HA ASN A 21 0.105 0.283 -30.149 1.00 1.70 H new ATOM 0 HB2 ASN A 21 0.607 -1.797 -28.993 1.00 1.73 H new ATOM 0 HB3 ASN A 21 0.226 -0.552 -27.820 1.00 1.73 H new ATOM 0 HD21 ASN A 21 -1.543 -3.907 -27.151 1.00 2.48 H new ATOM 0 HD22 ASN A 21 0.108 -3.536 -27.660 1.00 2.48 H new ATOM 298 N ALA A 22 -2.522 -0.733 -31.296 1.00 1.05 N ATOM 299 CA ALA A 22 -3.229 -1.454 -32.340 1.00 0.99 C ATOM 300 C ALA A 22 -3.938 -0.464 -33.249 1.00 1.10 C ATOM 301 O ALA A 22 -3.610 0.721 -33.265 1.00 1.95 O ATOM 302 CB ALA A 22 -4.233 -2.421 -31.725 1.00 0.96 C ATOM 0 H ALA A 22 -3.013 0.092 -30.952 1.00 1.05 H new ATOM 0 HA ALA A 22 -2.513 -2.029 -32.927 1.00 0.99 H new ATOM 0 HB1 ALA A 22 -4.756 -2.955 -32.518 1.00 0.96 H new ATOM 0 HB2 ALA A 22 -3.708 -3.136 -31.091 1.00 0.96 H new ATOM 0 HB3 ALA A 22 -4.954 -1.865 -31.125 1.00 0.96 H new ATOM 308 N VAL A 23 -4.895 -0.953 -34.007 1.00 0.94 N ATOM 309 CA VAL A 23 -5.723 -0.092 -34.822 1.00 0.99 C ATOM 310 C VAL A 23 -6.906 0.419 -34.014 1.00 1.04 C ATOM 311 O VAL A 23 -7.241 -0.127 -32.961 1.00 1.72 O ATOM 312 CB VAL A 23 -6.228 -0.822 -36.079 1.00 1.12 C ATOM 313 CG1 VAL A 23 -5.068 -1.148 -37.007 1.00 1.60 C ATOM 314 CG2 VAL A 23 -6.984 -2.084 -35.700 1.00 1.68 C ATOM 0 H VAL A 23 -5.119 -1.946 -34.076 1.00 0.94 H new ATOM 0 HA VAL A 23 -5.110 0.751 -35.141 1.00 0.99 H new ATOM 0 HB VAL A 23 -6.915 -0.161 -36.607 1.00 1.12 H new ATOM 0 HG11 VAL A 23 -5.443 -1.664 -37.891 1.00 1.60 H new ATOM 0 HG12 VAL A 23 -4.573 -0.225 -37.309 1.00 1.60 H new ATOM 0 HG13 VAL A 23 -4.356 -1.789 -36.488 1.00 1.60 H new ATOM 0 HG21 VAL A 23 -7.332 -2.585 -36.603 1.00 1.68 H new ATOM 0 HG22 VAL A 23 -6.323 -2.752 -35.147 1.00 1.68 H new ATOM 0 HG23 VAL A 23 -7.840 -1.822 -35.077 1.00 1.68 H new ATOM 324 N ARG A 24 -7.533 1.471 -34.525 1.00 0.69 N ATOM 325 CA ARG A 24 -8.706 2.078 -33.902 1.00 0.69 C ATOM 326 C ARG A 24 -9.881 1.098 -33.831 1.00 0.61 C ATOM 327 O ARG A 24 -10.889 1.361 -33.173 1.00 0.84 O ATOM 328 CB ARG A 24 -9.131 3.321 -34.692 1.00 0.85 C ATOM 329 CG ARG A 24 -9.607 3.024 -36.112 1.00 0.94 C ATOM 330 CD ARG A 24 -8.460 2.804 -37.085 1.00 1.08 C ATOM 331 NE ARG A 24 -7.494 3.900 -37.043 1.00 1.57 N ATOM 332 CZ ARG A 24 -6.297 3.874 -37.637 1.00 2.12 C ATOM 333 NH1 ARG A 24 -5.937 2.836 -38.389 1.00 2.44 N ATOM 334 NH2 ARG A 24 -5.470 4.905 -37.502 1.00 2.92 N ATOM 0 H ARG A 24 -7.242 1.931 -35.388 1.00 0.69 H new ATOM 0 HA ARG A 24 -8.432 2.356 -32.884 1.00 0.69 H new ATOM 0 HB2 ARG A 24 -9.930 3.827 -34.151 1.00 0.85 H new ATOM 0 HB3 ARG A 24 -8.290 4.013 -34.739 1.00 0.85 H new ATOM 0 HG2 ARG A 24 -10.242 2.138 -36.099 1.00 0.94 H new ATOM 0 HG3 ARG A 24 -10.222 3.852 -36.464 1.00 0.94 H new ATOM 0 HD2 ARG A 24 -7.957 1.867 -36.847 1.00 1.08 H new ATOM 0 HD3 ARG A 24 -8.855 2.706 -38.096 1.00 1.08 H new ATOM 0 HE ARG A 24 -7.750 4.741 -36.526 1.00 1.57 H new ATOM 0 HH11 ARG A 24 -6.577 2.052 -38.516 1.00 2.44 H new ATOM 0 HH12 ARG A 24 -5.021 2.825 -38.838 1.00 2.44 H new ATOM 0 HH21 ARG A 24 -5.749 5.713 -36.946 1.00 2.92 H new ATOM 0 HH22 ARG A 24 -4.556 4.888 -37.954 1.00 2.92 H new ATOM 348 N GLN A 25 -9.740 -0.030 -34.514 1.00 0.44 N ATOM 349 CA GLN A 25 -10.806 -1.008 -34.612 1.00 0.43 C ATOM 350 C GLN A 25 -10.909 -1.829 -33.334 1.00 0.37 C ATOM 351 O GLN A 25 -10.167 -2.799 -33.146 1.00 0.49 O ATOM 352 CB GLN A 25 -10.555 -1.948 -35.782 1.00 0.48 C ATOM 353 CG GLN A 25 -11.817 -2.633 -36.269 1.00 0.64 C ATOM 354 CD GLN A 25 -12.818 -1.655 -36.852 1.00 0.76 C ATOM 355 OE1 GLN A 25 -12.445 -0.637 -37.428 1.00 1.28 O ATOM 356 NE2 GLN A 25 -14.097 -1.946 -36.695 1.00 1.34 N ATOM 0 H GLN A 25 -8.888 -0.288 -35.011 1.00 0.44 H new ATOM 0 HA GLN A 25 -11.739 -0.467 -34.767 1.00 0.43 H new ATOM 0 HB2 GLN A 25 -10.112 -1.386 -36.604 1.00 0.48 H new ATOM 0 HB3 GLN A 25 -9.829 -2.704 -35.485 1.00 0.48 H new ATOM 0 HG2 GLN A 25 -11.556 -3.375 -37.024 1.00 0.64 H new ATOM 0 HG3 GLN A 25 -12.278 -3.170 -35.440 1.00 0.64 H new ATOM 0 HE21 GLN A 25 -14.370 -2.801 -36.211 1.00 1.34 H new ATOM 0 HE22 GLN A 25 -14.812 -1.315 -37.058 1.00 1.34 H new ATOM 365 N LYS A 26 -11.818 -1.440 -32.456 1.00 0.26 N ATOM 366 CA LYS A 26 -12.058 -2.190 -31.241 1.00 0.21 C ATOM 367 C LYS A 26 -13.219 -3.148 -31.427 1.00 0.24 C ATOM 368 O LYS A 26 -14.338 -2.746 -31.749 1.00 0.43 O ATOM 369 CB LYS A 26 -12.334 -1.265 -30.062 1.00 0.30 C ATOM 370 CG LYS A 26 -11.131 -0.456 -29.623 1.00 0.69 C ATOM 371 CD LYS A 26 -11.506 0.528 -28.528 1.00 1.08 C ATOM 372 CE LYS A 26 -10.287 0.971 -27.744 1.00 1.59 C ATOM 373 NZ LYS A 26 -9.704 -0.151 -26.969 1.00 2.11 N ATOM 0 H LYS A 26 -12.400 -0.609 -32.564 1.00 0.26 H new ATOM 0 HA LYS A 26 -11.155 -2.761 -31.024 1.00 0.21 H new ATOM 0 HB2 LYS A 26 -13.141 -0.583 -30.329 1.00 0.30 H new ATOM 0 HB3 LYS A 26 -12.686 -1.861 -29.220 1.00 0.30 H new ATOM 0 HG2 LYS A 26 -10.350 -1.126 -29.263 1.00 0.69 H new ATOM 0 HG3 LYS A 26 -10.720 0.083 -30.476 1.00 0.69 H new ATOM 0 HD2 LYS A 26 -11.993 1.398 -28.969 1.00 1.08 H new ATOM 0 HD3 LYS A 26 -12.227 0.067 -27.853 1.00 1.08 H new ATOM 0 HE2 LYS A 26 -9.538 1.370 -28.428 1.00 1.59 H new ATOM 0 HE3 LYS A 26 -10.563 1.779 -27.066 1.00 1.59 H new ATOM 0 HZ1 LYS A 26 -9.110 0.227 -26.204 1.00 2.11 H new ATOM 0 HZ2 LYS A 26 -10.469 -0.726 -26.561 1.00 2.11 H new ATOM 0 HZ3 LYS A 26 -9.124 -0.743 -27.598 1.00 2.11 H new ATOM 387 N LYS A 27 -12.933 -4.416 -31.235 1.00 0.12 N ATOM 388 CA LYS A 27 -13.933 -5.451 -31.321 1.00 0.12 C ATOM 389 C LYS A 27 -14.288 -5.934 -29.921 1.00 0.13 C ATOM 390 O LYS A 27 -13.428 -5.989 -29.046 1.00 0.19 O ATOM 391 CB LYS A 27 -13.405 -6.614 -32.162 1.00 0.14 C ATOM 392 CG LYS A 27 -13.278 -6.300 -33.644 1.00 0.19 C ATOM 393 CD LYS A 27 -14.636 -6.039 -34.276 1.00 0.28 C ATOM 394 CE LYS A 27 -14.518 -5.558 -35.715 1.00 0.44 C ATOM 395 NZ LYS A 27 -14.081 -6.633 -36.643 1.00 1.27 N ATOM 0 H LYS A 27 -11.997 -4.757 -31.014 1.00 0.12 H new ATOM 0 HA LYS A 27 -14.828 -5.051 -31.798 1.00 0.12 H new ATOM 0 HB2 LYS A 27 -12.429 -6.911 -31.779 1.00 0.14 H new ATOM 0 HB3 LYS A 27 -14.070 -7.469 -32.038 1.00 0.14 H new ATOM 0 HG2 LYS A 27 -12.639 -5.427 -33.779 1.00 0.19 H new ATOM 0 HG3 LYS A 27 -12.792 -7.132 -34.153 1.00 0.19 H new ATOM 0 HD2 LYS A 27 -15.230 -6.953 -34.248 1.00 0.28 H new ATOM 0 HD3 LYS A 27 -15.171 -5.293 -33.688 1.00 0.28 H new ATOM 0 HE2 LYS A 27 -15.481 -5.169 -36.044 1.00 0.44 H new ATOM 0 HE3 LYS A 27 -13.808 -4.732 -35.761 1.00 0.44 H new ATOM 0 HZ1 LYS A 27 -13.805 -6.214 -37.554 1.00 1.27 H new ATOM 0 HZ2 LYS A 27 -13.269 -7.136 -36.233 1.00 1.27 H new ATOM 0 HZ3 LYS A 27 -14.863 -7.302 -36.792 1.00 1.27 H new ATOM 409 N ARG A 28 -15.550 -6.267 -29.702 1.00 0.10 N ATOM 410 CA ARG A 28 -15.970 -6.803 -28.417 1.00 0.12 C ATOM 411 C ARG A 28 -16.561 -8.198 -28.596 1.00 0.09 C ATOM 412 O ARG A 28 -17.452 -8.411 -29.422 1.00 0.15 O ATOM 413 CB ARG A 28 -16.966 -5.871 -27.715 1.00 0.19 C ATOM 414 CG ARG A 28 -16.366 -4.514 -27.361 1.00 0.29 C ATOM 415 CD ARG A 28 -16.895 -3.976 -26.039 1.00 0.29 C ATOM 416 NE ARG A 28 -17.767 -2.810 -26.204 1.00 0.74 N ATOM 417 CZ ARG A 28 -17.687 -1.704 -25.457 1.00 1.15 C ATOM 418 NH1 ARG A 28 -16.672 -1.530 -24.617 1.00 1.40 N ATOM 419 NH2 ARG A 28 -18.591 -0.744 -25.597 1.00 1.65 N ATOM 0 H ARG A 28 -16.296 -6.177 -30.391 1.00 0.10 H new ATOM 0 HA ARG A 28 -15.090 -6.876 -27.778 1.00 0.12 H new ATOM 0 HB2 ARG A 28 -17.832 -5.722 -28.360 1.00 0.19 H new ATOM 0 HB3 ARG A 28 -17.325 -6.352 -26.805 1.00 0.19 H new ATOM 0 HG2 ARG A 28 -15.281 -4.602 -27.307 1.00 0.29 H new ATOM 0 HG3 ARG A 28 -16.589 -3.802 -28.156 1.00 0.29 H new ATOM 0 HD2 ARG A 28 -17.445 -4.765 -25.526 1.00 0.29 H new ATOM 0 HD3 ARG A 28 -16.054 -3.707 -25.400 1.00 0.29 H new ATOM 0 HE ARG A 28 -18.479 -2.844 -26.934 1.00 0.74 H new ATOM 0 HH11 ARG A 28 -15.947 -2.243 -24.539 1.00 1.40 H new ATOM 0 HH12 ARG A 28 -16.618 -0.683 -24.051 1.00 1.40 H new ATOM 0 HH21 ARG A 28 -19.347 -0.850 -26.274 1.00 1.65 H new ATOM 0 HH22 ARG A 28 -18.531 0.100 -25.028 1.00 1.65 H new ATOM 433 N ALA A 29 -16.041 -9.140 -27.827 1.00 0.08 N ATOM 434 CA ALA A 29 -16.469 -10.530 -27.891 1.00 0.07 C ATOM 435 C ALA A 29 -16.284 -11.179 -26.531 1.00 0.06 C ATOM 436 O ALA A 29 -15.840 -10.533 -25.579 1.00 0.08 O ATOM 437 CB ALA A 29 -15.700 -11.305 -28.960 1.00 0.08 C ATOM 0 H ALA A 29 -15.309 -8.964 -27.139 1.00 0.08 H new ATOM 0 HA ALA A 29 -17.523 -10.553 -28.166 1.00 0.07 H new ATOM 0 HB1 ALA A 29 -16.046 -12.339 -28.979 1.00 0.08 H new ATOM 0 HB2 ALA A 29 -15.870 -10.847 -29.934 1.00 0.08 H new ATOM 0 HB3 ALA A 29 -14.635 -11.283 -28.730 1.00 0.08 H new ATOM 443 N THR A 30 -16.623 -12.445 -26.435 1.00 0.06 N ATOM 444 CA THR A 30 -16.540 -13.157 -25.180 1.00 0.06 C ATOM 445 C THR A 30 -15.303 -14.053 -25.174 1.00 0.06 C ATOM 446 O THR A 30 -14.921 -14.608 -26.208 1.00 0.08 O ATOM 447 CB THR A 30 -17.807 -14.009 -24.959 1.00 0.08 C ATOM 448 OG1 THR A 30 -18.829 -13.596 -25.878 1.00 0.14 O ATOM 449 CG2 THR A 30 -18.328 -13.854 -23.543 1.00 0.11 C ATOM 0 H THR A 30 -16.961 -13.006 -27.217 1.00 0.06 H new ATOM 0 HA THR A 30 -16.463 -12.431 -24.370 1.00 0.06 H new ATOM 0 HB THR A 30 -17.547 -15.054 -25.125 1.00 0.08 H new ATOM 0 HG1 THR A 30 -19.633 -14.139 -25.738 1.00 0.14 H new ATOM 0 HG21 THR A 30 -19.221 -14.465 -23.415 1.00 0.11 H new ATOM 0 HG22 THR A 30 -17.563 -14.177 -22.837 1.00 0.11 H new ATOM 0 HG23 THR A 30 -18.574 -12.808 -23.358 1.00 0.11 H new ATOM 457 N VAL A 31 -14.664 -14.169 -24.022 1.00 0.08 N ATOM 458 CA VAL A 31 -13.485 -15.012 -23.886 1.00 0.10 C ATOM 459 C VAL A 31 -13.849 -16.474 -24.104 1.00 0.11 C ATOM 460 O VAL A 31 -14.600 -17.063 -23.323 1.00 0.14 O ATOM 461 CB VAL A 31 -12.829 -14.846 -22.503 1.00 0.11 C ATOM 462 CG1 VAL A 31 -11.546 -15.658 -22.414 1.00 0.14 C ATOM 463 CG2 VAL A 31 -12.552 -13.381 -22.217 1.00 0.13 C ATOM 0 H VAL A 31 -14.941 -13.690 -23.165 1.00 0.08 H new ATOM 0 HA VAL A 31 -12.769 -14.698 -24.646 1.00 0.10 H new ATOM 0 HB VAL A 31 -13.523 -15.220 -21.750 1.00 0.11 H new ATOM 0 HG11 VAL A 31 -11.099 -15.526 -21.429 1.00 0.14 H new ATOM 0 HG12 VAL A 31 -11.771 -16.713 -22.572 1.00 0.14 H new ATOM 0 HG13 VAL A 31 -10.847 -15.318 -23.178 1.00 0.14 H new ATOM 0 HG21 VAL A 31 -12.088 -13.283 -21.235 1.00 0.13 H new ATOM 0 HG22 VAL A 31 -11.880 -12.983 -22.977 1.00 0.13 H new ATOM 0 HG23 VAL A 31 -13.489 -12.824 -22.233 1.00 0.13 H new ATOM 473 N ASP A 32 -13.314 -17.032 -25.178 1.00 0.12 N ATOM 474 CA ASP A 32 -13.534 -18.427 -25.544 1.00 0.15 C ATOM 475 C ASP A 32 -12.926 -19.347 -24.494 1.00 0.15 C ATOM 476 O ASP A 32 -13.557 -20.307 -24.046 1.00 0.19 O ATOM 477 CB ASP A 32 -12.906 -18.708 -26.922 1.00 0.21 C ATOM 478 CG ASP A 32 -12.881 -20.181 -27.295 1.00 0.34 C ATOM 479 OD1 ASP A 32 -11.923 -20.885 -26.907 1.00 0.46 O ATOM 480 OD2 ASP A 32 -13.804 -20.632 -28.007 1.00 0.60 O ATOM 0 H ASP A 32 -12.710 -16.528 -25.827 1.00 0.12 H new ATOM 0 HA ASP A 32 -14.606 -18.617 -25.595 1.00 0.15 H new ATOM 0 HB2 ASP A 32 -13.461 -18.159 -27.683 1.00 0.21 H new ATOM 0 HB3 ASP A 32 -11.886 -18.323 -26.932 1.00 0.21 H new ATOM 485 N SER A 33 -11.704 -19.020 -24.089 1.00 0.14 N ATOM 486 CA SER A 33 -10.960 -19.814 -23.129 1.00 0.18 C ATOM 487 C SER A 33 -9.693 -19.082 -22.716 1.00 0.13 C ATOM 488 O SER A 33 -9.297 -18.109 -23.359 1.00 0.14 O ATOM 489 CB SER A 33 -10.611 -21.187 -23.727 1.00 0.27 C ATOM 490 OG SER A 33 -10.043 -21.055 -25.022 1.00 1.07 O ATOM 0 H SER A 33 -11.204 -18.195 -24.420 1.00 0.14 H new ATOM 0 HA SER A 33 -11.581 -19.968 -22.246 1.00 0.18 H new ATOM 0 HB2 SER A 33 -9.911 -21.705 -23.071 1.00 0.27 H new ATOM 0 HB3 SER A 33 -11.510 -21.801 -23.782 1.00 0.27 H new ATOM 0 HG SER A 33 -10.739 -21.188 -25.699 1.00 1.07 H new ATOM 496 N ILE A 34 -9.081 -19.528 -21.631 1.00 0.16 N ATOM 497 CA ILE A 34 -7.820 -18.971 -21.174 1.00 0.14 C ATOM 498 C ILE A 34 -6.893 -20.095 -20.734 1.00 0.16 C ATOM 499 O ILE A 34 -7.280 -20.971 -19.960 1.00 0.19 O ATOM 500 CB ILE A 34 -8.023 -17.939 -20.032 1.00 0.16 C ATOM 501 CG1 ILE A 34 -8.362 -16.563 -20.621 1.00 0.14 C ATOM 502 CG2 ILE A 34 -6.788 -17.849 -19.140 1.00 0.19 C ATOM 503 CD1 ILE A 34 -8.664 -15.504 -19.582 1.00 0.17 C ATOM 0 H ILE A 34 -9.442 -20.282 -21.046 1.00 0.16 H new ATOM 0 HA ILE A 34 -7.363 -18.435 -22.006 1.00 0.14 H new ATOM 0 HB ILE A 34 -8.855 -18.275 -19.413 1.00 0.16 H new ATOM 0 HG12 ILE A 34 -7.527 -16.227 -21.235 1.00 0.14 H new ATOM 0 HG13 ILE A 34 -9.223 -16.664 -21.282 1.00 0.14 H new ATOM 0 HG21 ILE A 34 -6.962 -17.118 -18.350 1.00 0.19 H new ATOM 0 HG22 ILE A 34 -6.589 -18.824 -18.695 1.00 0.19 H new ATOM 0 HG23 ILE A 34 -5.930 -17.541 -19.737 1.00 0.19 H new ATOM 0 HD11 ILE A 34 -8.894 -14.562 -20.079 1.00 0.17 H new ATOM 0 HD12 ILE A 34 -9.519 -15.816 -18.983 1.00 0.17 H new ATOM 0 HD13 ILE A 34 -7.797 -15.371 -18.935 1.00 0.17 H new ATOM 515 N LYS A 35 -5.682 -20.071 -21.257 1.00 0.17 N ATOM 516 CA LYS A 35 -4.692 -21.093 -20.993 1.00 0.21 C ATOM 517 C LYS A 35 -3.434 -20.456 -20.411 1.00 0.20 C ATOM 518 O LYS A 35 -2.587 -19.956 -21.156 1.00 0.22 O ATOM 519 CB LYS A 35 -4.348 -21.829 -22.288 1.00 0.24 C ATOM 520 CG LYS A 35 -5.522 -22.589 -22.877 1.00 0.34 C ATOM 521 CD LYS A 35 -5.995 -23.695 -21.946 1.00 0.47 C ATOM 522 CE LYS A 35 -7.340 -24.241 -22.386 1.00 0.64 C ATOM 523 NZ LYS A 35 -7.780 -25.393 -21.548 1.00 1.56 N ATOM 0 H LYS A 35 -5.357 -19.334 -21.883 1.00 0.17 H new ATOM 0 HA LYS A 35 -5.097 -21.805 -20.274 1.00 0.21 H new ATOM 0 HB2 LYS A 35 -3.986 -21.109 -23.022 1.00 0.24 H new ATOM 0 HB3 LYS A 35 -3.532 -22.526 -22.096 1.00 0.24 H new ATOM 0 HG2 LYS A 35 -6.343 -21.899 -23.070 1.00 0.34 H new ATOM 0 HG3 LYS A 35 -5.234 -23.018 -23.837 1.00 0.34 H new ATOM 0 HD2 LYS A 35 -5.260 -24.500 -21.929 1.00 0.47 H new ATOM 0 HD3 LYS A 35 -6.070 -23.311 -20.929 1.00 0.47 H new ATOM 0 HE2 LYS A 35 -8.087 -23.449 -22.333 1.00 0.64 H new ATOM 0 HE3 LYS A 35 -7.280 -24.554 -23.428 1.00 0.64 H new ATOM 0 HZ1 LYS A 35 -8.703 -25.734 -21.884 1.00 1.56 H new ATOM 0 HZ2 LYS A 35 -7.081 -26.160 -21.618 1.00 1.56 H new ATOM 0 HZ3 LYS A 35 -7.863 -25.090 -20.557 1.00 1.56 H new ATOM 537 N GLY A 36 -3.336 -20.425 -19.091 1.00 0.25 N ATOM 538 CA GLY A 36 -2.171 -19.844 -18.447 1.00 0.28 C ATOM 539 C GLY A 36 -2.126 -18.336 -18.585 1.00 0.24 C ATOM 540 O GLY A 36 -2.904 -17.633 -17.950 1.00 0.29 O ATOM 0 H GLY A 36 -4.041 -20.791 -18.452 1.00 0.25 H new ATOM 0 HA2 GLY A 36 -2.174 -20.109 -17.390 1.00 0.28 H new ATOM 0 HA3 GLY A 36 -1.268 -20.273 -18.881 1.00 0.28 H new ATOM 544 N GLN A 37 -1.223 -17.845 -19.429 1.00 0.21 N ATOM 545 CA GLN A 37 -1.066 -16.410 -19.652 1.00 0.20 C ATOM 546 C GLN A 37 -1.742 -15.988 -20.946 1.00 0.17 C ATOM 547 O GLN A 37 -1.667 -14.826 -21.338 1.00 0.21 O ATOM 548 CB GLN A 37 0.418 -16.030 -19.716 1.00 0.24 C ATOM 549 CG GLN A 37 1.172 -16.257 -18.417 1.00 0.36 C ATOM 550 CD GLN A 37 0.738 -15.298 -17.323 1.00 1.27 C ATOM 551 OE1 GLN A 37 0.352 -14.162 -17.597 1.00 2.10 O ATOM 552 NE2 GLN A 37 0.801 -15.744 -16.080 1.00 1.94 N ATOM 0 H GLN A 37 -0.584 -18.424 -19.974 1.00 0.21 H new ATOM 0 HA GLN A 37 -1.536 -15.894 -18.815 1.00 0.20 H new ATOM 0 HB2 GLN A 37 0.896 -16.608 -20.507 1.00 0.24 H new ATOM 0 HB3 GLN A 37 0.501 -14.979 -19.993 1.00 0.24 H new ATOM 0 HG2 GLN A 37 1.014 -17.282 -18.082 1.00 0.36 H new ATOM 0 HG3 GLN A 37 2.241 -16.141 -18.595 1.00 0.36 H new ATOM 0 HE21 GLN A 37 1.127 -16.693 -15.894 1.00 1.94 H new ATOM 0 HE22 GLN A 37 0.524 -15.139 -15.307 1.00 1.94 H new ATOM 561 N PHE A 38 -2.416 -16.918 -21.600 1.00 0.13 N ATOM 562 CA PHE A 38 -2.969 -16.645 -22.911 1.00 0.11 C ATOM 563 C PHE A 38 -4.458 -16.876 -22.938 1.00 0.10 C ATOM 564 O PHE A 38 -4.966 -17.816 -22.340 1.00 0.12 O ATOM 565 CB PHE A 38 -2.266 -17.479 -23.983 1.00 0.13 C ATOM 566 CG PHE A 38 -0.827 -17.096 -24.144 1.00 0.18 C ATOM 567 CD1 PHE A 38 -0.471 -16.076 -25.009 1.00 0.21 C ATOM 568 CD2 PHE A 38 0.163 -17.727 -23.411 1.00 0.23 C ATOM 569 CE1 PHE A 38 0.846 -15.689 -25.136 1.00 0.28 C ATOM 570 CE2 PHE A 38 1.485 -17.350 -23.538 1.00 0.29 C ATOM 571 CZ PHE A 38 1.824 -16.327 -24.403 1.00 0.32 C ATOM 0 H PHE A 38 -2.591 -17.859 -21.248 1.00 0.13 H new ATOM 0 HA PHE A 38 -2.795 -15.592 -23.132 1.00 0.11 H new ATOM 0 HB2 PHE A 38 -2.332 -18.535 -23.721 1.00 0.13 H new ATOM 0 HB3 PHE A 38 -2.782 -17.354 -24.935 1.00 0.13 H new ATOM 0 HD1 PHE A 38 -1.233 -15.578 -25.591 1.00 0.21 H new ATOM 0 HD2 PHE A 38 -0.102 -18.524 -22.732 1.00 0.23 H new ATOM 0 HE1 PHE A 38 1.111 -14.887 -25.809 1.00 0.28 H new ATOM 0 HE2 PHE A 38 2.250 -17.852 -22.964 1.00 0.29 H new ATOM 0 HZ PHE A 38 2.856 -16.027 -24.505 1.00 0.32 H new ATOM 581 N GLY A 39 -5.144 -16.002 -23.633 1.00 0.09 N ATOM 582 CA GLY A 39 -6.577 -16.091 -23.727 1.00 0.09 C ATOM 583 C GLY A 39 -7.036 -16.058 -25.157 1.00 0.09 C ATOM 584 O GLY A 39 -6.323 -15.569 -26.035 1.00 0.11 O ATOM 0 H GLY A 39 -4.731 -15.221 -24.142 1.00 0.09 H new ATOM 0 HA2 GLY A 39 -6.917 -17.013 -23.255 1.00 0.09 H new ATOM 0 HA3 GLY A 39 -7.031 -15.266 -23.178 1.00 0.09 H new ATOM 588 N PHE A 40 -8.213 -16.584 -25.396 1.00 0.09 N ATOM 589 CA PHE A 40 -8.777 -16.609 -26.726 1.00 0.10 C ATOM 590 C PHE A 40 -10.193 -16.081 -26.680 1.00 0.10 C ATOM 591 O PHE A 40 -10.862 -16.188 -25.657 1.00 0.18 O ATOM 592 CB PHE A 40 -8.760 -18.034 -27.283 1.00 0.12 C ATOM 593 CG PHE A 40 -7.391 -18.651 -27.288 1.00 0.12 C ATOM 594 CD1 PHE A 40 -6.904 -19.287 -26.156 1.00 0.14 C ATOM 595 CD2 PHE A 40 -6.586 -18.582 -28.411 1.00 0.13 C ATOM 596 CE1 PHE A 40 -5.642 -19.844 -26.141 1.00 0.16 C ATOM 597 CE2 PHE A 40 -5.320 -19.142 -28.405 1.00 0.16 C ATOM 598 CZ PHE A 40 -4.847 -19.772 -27.270 1.00 0.17 C ATOM 0 H PHE A 40 -8.805 -17.005 -24.680 1.00 0.09 H new ATOM 0 HA PHE A 40 -8.179 -15.977 -27.382 1.00 0.10 H new ATOM 0 HB2 PHE A 40 -9.430 -18.657 -26.690 1.00 0.12 H new ATOM 0 HB3 PHE A 40 -9.151 -18.024 -28.301 1.00 0.12 H new ATOM 0 HD1 PHE A 40 -7.522 -19.347 -25.273 1.00 0.14 H new ATOM 0 HD2 PHE A 40 -6.948 -18.087 -29.300 1.00 0.13 H new ATOM 0 HE1 PHE A 40 -5.276 -20.334 -25.251 1.00 0.16 H new ATOM 0 HE2 PHE A 40 -4.701 -19.086 -29.289 1.00 0.16 H new ATOM 0 HZ PHE A 40 -3.859 -20.207 -27.265 1.00 0.17 H new ATOM 608 N LEU A 41 -10.643 -15.506 -27.776 1.00 0.10 N ATOM 609 CA LEU A 41 -11.968 -14.913 -27.836 1.00 0.09 C ATOM 610 C LEU A 41 -12.736 -15.517 -28.995 1.00 0.09 C ATOM 611 O LEU A 41 -12.126 -16.006 -29.948 1.00 0.13 O ATOM 612 CB LEU A 41 -11.846 -13.399 -28.011 1.00 0.09 C ATOM 613 CG LEU A 41 -10.752 -12.755 -27.163 1.00 0.15 C ATOM 614 CD1 LEU A 41 -10.386 -11.386 -27.696 1.00 0.59 C ATOM 615 CD2 LEU A 41 -11.200 -12.655 -25.719 1.00 0.53 C ATOM 0 H LEU A 41 -10.110 -15.435 -28.643 1.00 0.10 H new ATOM 0 HA LEU A 41 -12.505 -15.116 -26.909 1.00 0.09 H new ATOM 0 HB2 LEU A 41 -11.651 -13.181 -29.061 1.00 0.09 H new ATOM 0 HB3 LEU A 41 -12.802 -12.938 -27.762 1.00 0.09 H new ATOM 0 HG LEU A 41 -9.865 -13.386 -27.215 1.00 0.15 H new ATOM 0 HD11 LEU A 41 -9.605 -10.950 -27.073 1.00 0.59 H new ATOM 0 HD12 LEU A 41 -10.024 -11.479 -28.720 1.00 0.59 H new ATOM 0 HD13 LEU A 41 -11.265 -10.742 -27.679 1.00 0.59 H new ATOM 0 HD21 LEU A 41 -10.411 -12.194 -25.124 1.00 0.53 H new ATOM 0 HD22 LEU A 41 -12.102 -12.046 -25.659 1.00 0.53 H new ATOM 0 HD23 LEU A 41 -11.409 -13.653 -25.333 1.00 0.53 H new ATOM 627 N ASN A 42 -14.062 -15.502 -28.926 1.00 0.11 N ATOM 628 CA ASN A 42 -14.863 -16.048 -30.012 1.00 0.15 C ATOM 629 C ASN A 42 -14.883 -15.075 -31.185 1.00 0.14 C ATOM 630 O ASN A 42 -15.870 -14.392 -31.454 1.00 0.17 O ATOM 631 CB ASN A 42 -16.289 -16.418 -29.554 1.00 0.22 C ATOM 632 CG ASN A 42 -17.120 -15.240 -29.066 1.00 0.79 C ATOM 633 OD1 ASN A 42 -16.600 -14.277 -28.514 1.00 1.53 O ATOM 634 ND2 ASN A 42 -18.427 -15.319 -29.263 1.00 1.37 N ATOM 0 H ASN A 42 -14.597 -15.125 -28.144 1.00 0.11 H new ATOM 0 HA ASN A 42 -14.398 -16.977 -30.340 1.00 0.15 H new ATOM 0 HB2 ASN A 42 -16.811 -16.896 -30.383 1.00 0.22 H new ATOM 0 HB3 ASN A 42 -16.220 -17.155 -28.753 1.00 0.22 H new ATOM 0 HD21 ASN A 42 -19.036 -14.563 -28.952 1.00 1.37 H new ATOM 0 HD22 ASN A 42 -18.824 -16.136 -29.726 1.00 1.37 H new ATOM 641 N PHE A 43 -13.754 -15.004 -31.863 1.00 0.12 N ATOM 642 CA PHE A 43 -13.595 -14.127 -32.996 1.00 0.13 C ATOM 643 C PHE A 43 -12.632 -14.766 -33.987 1.00 0.16 C ATOM 644 O PHE A 43 -11.417 -14.720 -33.801 1.00 0.18 O ATOM 645 CB PHE A 43 -13.066 -12.767 -32.536 1.00 0.12 C ATOM 646 CG PHE A 43 -13.288 -11.670 -33.535 1.00 0.16 C ATOM 647 CD1 PHE A 43 -14.458 -10.930 -33.513 1.00 0.21 C ATOM 648 CD2 PHE A 43 -12.330 -11.376 -34.488 1.00 0.22 C ATOM 649 CE1 PHE A 43 -14.669 -9.917 -34.428 1.00 0.27 C ATOM 650 CE2 PHE A 43 -12.535 -10.364 -35.405 1.00 0.27 C ATOM 651 CZ PHE A 43 -13.705 -9.634 -35.375 1.00 0.28 C ATOM 0 H PHE A 43 -12.924 -15.554 -31.640 1.00 0.12 H new ATOM 0 HA PHE A 43 -14.559 -13.972 -33.480 1.00 0.13 H new ATOM 0 HB2 PHE A 43 -13.550 -12.496 -31.597 1.00 0.12 H new ATOM 0 HB3 PHE A 43 -11.999 -12.851 -32.332 1.00 0.12 H new ATOM 0 HD1 PHE A 43 -15.214 -11.147 -32.773 1.00 0.21 H new ATOM 0 HD2 PHE A 43 -11.412 -11.944 -34.515 1.00 0.22 H new ATOM 0 HE1 PHE A 43 -15.586 -9.347 -34.403 1.00 0.27 H new ATOM 0 HE2 PHE A 43 -11.780 -10.144 -36.145 1.00 0.27 H new ATOM 0 HZ PHE A 43 -13.867 -8.842 -36.091 1.00 0.28 H new ATOM 661 N GLU A 44 -13.183 -15.399 -35.011 1.00 0.23 N ATOM 662 CA GLU A 44 -12.377 -16.060 -36.026 1.00 0.30 C ATOM 663 C GLU A 44 -12.171 -15.140 -37.216 1.00 0.29 C ATOM 664 O GLU A 44 -13.059 -14.946 -38.046 1.00 0.39 O ATOM 665 CB GLU A 44 -13.022 -17.397 -36.391 1.00 0.44 C ATOM 666 CG GLU A 44 -12.789 -18.419 -35.285 1.00 0.60 C ATOM 667 CD GLU A 44 -13.743 -19.590 -35.301 1.00 1.14 C ATOM 668 OE1 GLU A 44 -14.578 -19.679 -34.376 1.00 1.81 O ATOM 669 OE2 GLU A 44 -13.633 -20.447 -36.195 1.00 1.57 O ATOM 0 H GLU A 44 -14.189 -15.469 -35.162 1.00 0.23 H new ATOM 0 HA GLU A 44 -11.381 -16.280 -35.641 1.00 0.30 H new ATOM 0 HB2 GLU A 44 -14.092 -17.261 -36.549 1.00 0.44 H new ATOM 0 HB3 GLU A 44 -12.605 -17.765 -37.329 1.00 0.44 H new ATOM 0 HG2 GLU A 44 -11.770 -18.796 -35.366 1.00 0.60 H new ATOM 0 HG3 GLU A 44 -12.867 -17.916 -34.321 1.00 0.60 H new ATOM 676 N VAL A 45 -10.986 -14.543 -37.244 1.00 0.30 N ATOM 677 CA VAL A 45 -10.604 -13.557 -38.248 1.00 0.38 C ATOM 678 C VAL A 45 -10.467 -14.193 -39.623 1.00 0.45 C ATOM 679 O VAL A 45 -10.910 -13.653 -40.635 1.00 0.58 O ATOM 680 CB VAL A 45 -9.257 -12.908 -37.858 1.00 0.44 C ATOM 681 CG1 VAL A 45 -9.435 -12.029 -36.638 1.00 0.85 C ATOM 682 CG2 VAL A 45 -8.211 -13.980 -37.572 1.00 0.71 C ATOM 0 H VAL A 45 -10.253 -14.733 -36.561 1.00 0.30 H new ATOM 0 HA VAL A 45 -11.388 -12.801 -38.289 1.00 0.38 H new ATOM 0 HB VAL A 45 -8.915 -12.297 -38.693 1.00 0.44 H new ATOM 0 HG11 VAL A 45 -8.479 -11.577 -36.373 1.00 0.85 H new ATOM 0 HG12 VAL A 45 -10.159 -11.244 -36.857 1.00 0.85 H new ATOM 0 HG13 VAL A 45 -9.795 -12.632 -35.804 1.00 0.85 H new ATOM 0 HG21 VAL A 45 -7.269 -13.505 -37.299 1.00 0.71 H new ATOM 0 HG22 VAL A 45 -8.551 -14.610 -36.750 1.00 0.71 H new ATOM 0 HG23 VAL A 45 -8.064 -14.592 -38.462 1.00 0.71 H new ATOM 692 N GLU A 46 -9.841 -15.346 -39.625 1.00 0.51 N ATOM 693 CA GLU A 46 -9.540 -16.086 -40.805 1.00 0.61 C ATOM 694 C GLU A 46 -10.027 -17.506 -40.554 1.00 0.62 C ATOM 695 O GLU A 46 -10.501 -17.776 -39.454 1.00 0.97 O ATOM 696 CB GLU A 46 -8.022 -15.997 -41.026 1.00 0.75 C ATOM 697 CG GLU A 46 -7.460 -16.935 -42.069 1.00 0.88 C ATOM 698 CD GLU A 46 -7.955 -16.636 -43.468 1.00 1.35 C ATOM 699 OE1 GLU A 46 -8.879 -17.330 -43.945 1.00 2.24 O ATOM 700 OE2 GLU A 46 -7.436 -15.688 -44.087 1.00 1.57 O ATOM 0 H GLU A 46 -9.521 -15.801 -38.770 1.00 0.51 H new ATOM 0 HA GLU A 46 -10.024 -15.709 -41.706 1.00 0.61 H new ATOM 0 HB2 GLU A 46 -7.773 -14.975 -41.310 1.00 0.75 H new ATOM 0 HB3 GLU A 46 -7.522 -16.195 -40.078 1.00 0.75 H new ATOM 0 HG2 GLU A 46 -6.372 -16.874 -42.055 1.00 0.88 H new ATOM 0 HG3 GLU A 46 -7.725 -17.959 -41.808 1.00 0.88 H new ATOM 707 N ASP A 47 -9.926 -18.373 -41.556 1.00 0.85 N ATOM 708 CA ASP A 47 -10.348 -19.781 -41.485 1.00 0.84 C ATOM 709 C ASP A 47 -10.168 -20.420 -40.109 1.00 0.83 C ATOM 710 O ASP A 47 -9.124 -21.015 -39.821 1.00 1.18 O ATOM 711 CB ASP A 47 -9.526 -20.586 -42.465 1.00 0.90 C ATOM 712 CG ASP A 47 -10.043 -21.999 -42.649 1.00 1.18 C ATOM 713 OD1 ASP A 47 -11.140 -22.165 -43.225 1.00 1.30 O ATOM 714 OD2 ASP A 47 -9.343 -22.950 -42.240 1.00 1.55 O ATOM 0 H ASP A 47 -9.540 -18.117 -42.465 1.00 0.85 H new ATOM 0 HA ASP A 47 -11.414 -19.788 -41.714 1.00 0.84 H new ATOM 0 HB2 ASP A 47 -9.520 -20.078 -43.430 1.00 0.90 H new ATOM 0 HB3 ASP A 47 -8.493 -20.625 -42.119 1.00 0.90 H new ATOM 719 N GLY A 48 -11.165 -20.263 -39.251 1.00 0.65 N ATOM 720 CA GLY A 48 -11.173 -20.974 -37.992 1.00 0.67 C ATOM 721 C GLY A 48 -10.088 -20.475 -37.069 1.00 0.58 C ATOM 722 O GLY A 48 -9.734 -21.136 -36.091 1.00 0.66 O ATOM 0 H GLY A 48 -11.969 -19.655 -39.406 1.00 0.65 H new ATOM 0 HA2 GLY A 48 -12.144 -20.855 -37.512 1.00 0.67 H new ATOM 0 HA3 GLY A 48 -11.036 -22.040 -38.174 1.00 0.67 H new ATOM 726 N LYS A 49 -9.558 -19.301 -37.383 1.00 0.48 N ATOM 727 CA LYS A 49 -8.495 -18.726 -36.602 1.00 0.44 C ATOM 728 C LYS A 49 -9.079 -18.023 -35.386 1.00 0.36 C ATOM 729 O LYS A 49 -9.662 -16.946 -35.510 1.00 0.35 O ATOM 730 CB LYS A 49 -7.719 -17.726 -37.461 1.00 0.50 C ATOM 731 CG LYS A 49 -6.701 -18.349 -38.400 1.00 0.71 C ATOM 732 CD LYS A 49 -5.458 -18.785 -37.648 1.00 0.93 C ATOM 733 CE LYS A 49 -4.292 -19.014 -38.596 1.00 1.41 C ATOM 734 NZ LYS A 49 -4.467 -20.232 -39.433 1.00 2.50 N ATOM 0 H LYS A 49 -9.854 -18.734 -38.177 1.00 0.48 H new ATOM 0 HA LYS A 49 -7.819 -19.513 -36.267 1.00 0.44 H new ATOM 0 HB2 LYS A 49 -8.430 -17.147 -38.051 1.00 0.50 H new ATOM 0 HB3 LYS A 49 -7.205 -17.025 -36.803 1.00 0.50 H new ATOM 0 HG2 LYS A 49 -7.145 -19.208 -38.904 1.00 0.71 H new ATOM 0 HG3 LYS A 49 -6.428 -17.631 -39.174 1.00 0.71 H new ATOM 0 HD2 LYS A 49 -5.189 -18.025 -36.914 1.00 0.93 H new ATOM 0 HD3 LYS A 49 -5.667 -19.702 -37.096 1.00 0.93 H new ATOM 0 HE2 LYS A 49 -4.179 -18.145 -39.244 1.00 1.41 H new ATOM 0 HE3 LYS A 49 -3.371 -19.103 -38.019 1.00 1.41 H new ATOM 0 HZ1 LYS A 49 -3.646 -20.343 -40.061 1.00 2.50 H new ATOM 0 HZ2 LYS A 49 -4.548 -21.067 -38.818 1.00 2.50 H new ATOM 0 HZ3 LYS A 49 -5.330 -20.139 -40.005 1.00 2.50 H new ATOM 748 N LYS A 50 -8.905 -18.619 -34.216 1.00 0.37 N ATOM 749 CA LYS A 50 -9.441 -18.055 -32.992 1.00 0.32 C ATOM 750 C LYS A 50 -8.528 -16.940 -32.519 1.00 0.27 C ATOM 751 O LYS A 50 -7.311 -17.120 -32.452 1.00 0.36 O ATOM 752 CB LYS A 50 -9.552 -19.136 -31.912 1.00 0.41 C ATOM 753 CG LYS A 50 -10.567 -18.814 -30.823 1.00 0.47 C ATOM 754 CD LYS A 50 -12.001 -18.958 -31.321 1.00 0.47 C ATOM 755 CE LYS A 50 -12.393 -20.419 -31.509 1.00 0.69 C ATOM 756 NZ LYS A 50 -13.799 -20.572 -31.985 1.00 1.32 N ATOM 0 H LYS A 50 -8.396 -19.494 -34.091 1.00 0.37 H new ATOM 0 HA LYS A 50 -10.437 -17.657 -33.184 1.00 0.32 H new ATOM 0 HB2 LYS A 50 -9.825 -20.080 -32.383 1.00 0.41 H new ATOM 0 HB3 LYS A 50 -8.574 -19.280 -31.453 1.00 0.41 H new ATOM 0 HG2 LYS A 50 -10.410 -19.478 -29.973 1.00 0.47 H new ATOM 0 HG3 LYS A 50 -10.407 -17.796 -30.467 1.00 0.47 H new ATOM 0 HD2 LYS A 50 -12.681 -18.488 -30.610 1.00 0.47 H new ATOM 0 HD3 LYS A 50 -12.112 -18.428 -32.267 1.00 0.47 H new ATOM 0 HE2 LYS A 50 -11.717 -20.885 -32.226 1.00 0.69 H new ATOM 0 HE3 LYS A 50 -12.272 -20.950 -30.565 1.00 0.69 H new ATOM 0 HZ1 LYS A 50 -14.086 -21.568 -31.905 1.00 1.32 H new ATOM 0 HZ2 LYS A 50 -14.428 -19.982 -31.404 1.00 1.32 H new ATOM 0 HZ3 LYS A 50 -13.864 -20.272 -32.979 1.00 1.32 H new ATOM 770 N LEU A 51 -9.105 -15.783 -32.229 1.00 0.19 N ATOM 771 CA LEU A 51 -8.327 -14.652 -31.761 1.00 0.13 C ATOM 772 C LEU A 51 -7.676 -14.951 -30.426 1.00 0.12 C ATOM 773 O LEU A 51 -8.353 -15.307 -29.462 1.00 0.16 O ATOM 774 CB LEU A 51 -9.185 -13.401 -31.622 1.00 0.13 C ATOM 775 CG LEU A 51 -8.905 -12.310 -32.659 1.00 0.13 C ATOM 776 CD1 LEU A 51 -9.678 -11.047 -32.338 1.00 0.19 C ATOM 777 CD2 LEU A 51 -7.417 -12.009 -32.729 1.00 0.16 C ATOM 0 H LEU A 51 -10.106 -15.606 -32.310 1.00 0.19 H new ATOM 0 HA LEU A 51 -7.555 -14.472 -32.509 1.00 0.13 H new ATOM 0 HB2 LEU A 51 -10.234 -13.688 -31.692 1.00 0.13 H new ATOM 0 HB3 LEU A 51 -9.034 -12.983 -30.627 1.00 0.13 H new ATOM 0 HG LEU A 51 -9.235 -12.678 -33.631 1.00 0.13 H new ATOM 0 HD11 LEU A 51 -9.462 -10.287 -33.089 1.00 0.19 H new ATOM 0 HD12 LEU A 51 -10.746 -11.264 -32.338 1.00 0.19 H new ATOM 0 HD13 LEU A 51 -9.383 -10.680 -31.355 1.00 0.19 H new ATOM 0 HD21 LEU A 51 -7.238 -11.231 -33.471 1.00 0.16 H new ATOM 0 HD22 LEU A 51 -7.069 -11.668 -31.754 1.00 0.16 H new ATOM 0 HD23 LEU A 51 -6.876 -12.912 -33.012 1.00 0.16 H new ATOM 789 N PHE A 52 -6.363 -14.809 -30.381 1.00 0.12 N ATOM 790 CA PHE A 52 -5.625 -15.001 -29.149 1.00 0.11 C ATOM 791 C PHE A 52 -5.165 -13.657 -28.603 1.00 0.10 C ATOM 792 O PHE A 52 -5.093 -12.661 -29.335 1.00 0.12 O ATOM 793 CB PHE A 52 -4.418 -15.926 -29.369 1.00 0.14 C ATOM 794 CG PHE A 52 -3.259 -15.278 -30.079 1.00 0.20 C ATOM 795 CD1 PHE A 52 -3.207 -15.231 -31.461 1.00 0.29 C ATOM 796 CD2 PHE A 52 -2.219 -14.715 -29.352 1.00 0.28 C ATOM 797 CE1 PHE A 52 -2.139 -14.635 -32.106 1.00 0.38 C ATOM 798 CE2 PHE A 52 -1.152 -14.117 -29.989 1.00 0.37 C ATOM 799 CZ PHE A 52 -1.112 -14.076 -31.370 1.00 0.39 C ATOM 0 H PHE A 52 -5.787 -14.561 -31.185 1.00 0.12 H new ATOM 0 HA PHE A 52 -6.286 -15.474 -28.423 1.00 0.11 H new ATOM 0 HB2 PHE A 52 -4.076 -16.293 -28.401 1.00 0.14 H new ATOM 0 HB3 PHE A 52 -4.741 -16.794 -29.944 1.00 0.14 H new ATOM 0 HD1 PHE A 52 -4.008 -15.664 -32.041 1.00 0.29 H new ATOM 0 HD2 PHE A 52 -2.246 -14.746 -28.273 1.00 0.28 H new ATOM 0 HE1 PHE A 52 -2.108 -14.606 -33.185 1.00 0.38 H new ATOM 0 HE2 PHE A 52 -0.350 -13.682 -29.411 1.00 0.37 H new ATOM 0 HZ PHE A 52 -0.279 -13.608 -31.873 1.00 0.39 H new ATOM 809 N PHE A 53 -4.878 -13.635 -27.319 1.00 0.10 N ATOM 810 CA PHE A 53 -4.300 -12.472 -26.682 1.00 0.10 C ATOM 811 C PHE A 53 -3.439 -12.920 -25.512 1.00 0.11 C ATOM 812 O PHE A 53 -3.646 -14.001 -24.955 1.00 0.13 O ATOM 813 CB PHE A 53 -5.398 -11.500 -26.223 1.00 0.10 C ATOM 814 CG PHE A 53 -6.231 -11.977 -25.068 1.00 0.10 C ATOM 815 CD1 PHE A 53 -5.783 -11.831 -23.768 1.00 0.13 C ATOM 816 CD2 PHE A 53 -7.461 -12.571 -25.285 1.00 0.11 C ATOM 817 CE1 PHE A 53 -6.546 -12.261 -22.706 1.00 0.16 C ATOM 818 CE2 PHE A 53 -8.230 -13.001 -24.224 1.00 0.13 C ATOM 819 CZ PHE A 53 -7.768 -12.852 -22.931 1.00 0.14 C ATOM 0 H PHE A 53 -5.038 -14.421 -26.689 1.00 0.10 H new ATOM 0 HA PHE A 53 -3.675 -11.940 -27.399 1.00 0.10 H new ATOM 0 HB2 PHE A 53 -4.932 -10.554 -25.948 1.00 0.10 H new ATOM 0 HB3 PHE A 53 -6.058 -11.297 -27.067 1.00 0.10 H new ATOM 0 HD1 PHE A 53 -4.822 -11.374 -23.583 1.00 0.13 H new ATOM 0 HD2 PHE A 53 -7.823 -12.699 -26.295 1.00 0.11 H new ATOM 0 HE1 PHE A 53 -6.185 -12.134 -21.696 1.00 0.16 H new ATOM 0 HE2 PHE A 53 -9.194 -13.454 -24.404 1.00 0.13 H new ATOM 0 HZ PHE A 53 -8.364 -13.198 -22.099 1.00 0.14 H new ATOM 829 N HIS A 54 -2.470 -12.108 -25.152 1.00 0.13 N ATOM 830 CA HIS A 54 -1.631 -12.407 -24.016 1.00 0.15 C ATOM 831 C HIS A 54 -2.138 -11.612 -22.810 1.00 0.15 C ATOM 832 O HIS A 54 -2.713 -10.535 -22.971 1.00 0.16 O ATOM 833 CB HIS A 54 -0.169 -12.073 -24.346 1.00 0.18 C ATOM 834 CG HIS A 54 0.809 -12.499 -23.294 1.00 0.21 C ATOM 835 ND1 HIS A 54 0.753 -13.535 -22.422 1.00 0.34 N flip ATOM 836 CD2 HIS A 54 2.001 -11.860 -23.045 1.00 0.25 C flip ATOM 837 CE1 HIS A 54 1.902 -13.540 -21.641 1.00 0.34 C flip ATOM 838 NE2 HIS A 54 2.619 -12.514 -22.052 1.00 0.27 N flip ATOM 0 H HIS A 54 -2.245 -11.236 -25.630 1.00 0.13 H new ATOM 0 HA HIS A 54 -1.676 -13.469 -23.775 1.00 0.15 H new ATOM 0 HB2 HIS A 54 0.097 -12.550 -25.289 1.00 0.18 H new ATOM 0 HB3 HIS A 54 -0.078 -10.997 -24.497 1.00 0.18 H new ATOM 0 HD1 HIS A 54 -0.012 -14.206 -22.350 1.00 0.34 H new ATOM 0 HD2 HIS A 54 2.373 -10.986 -23.559 1.00 0.25 H new ATOM 0 HE1 HIS A 54 2.155 -14.240 -20.859 1.00 0.34 H new ATOM 846 N MET A 55 -1.955 -12.151 -21.608 1.00 0.16 N ATOM 847 CA MET A 55 -2.384 -11.481 -20.376 1.00 0.17 C ATOM 848 C MET A 55 -1.703 -10.126 -20.188 1.00 0.17 C ATOM 849 O MET A 55 -2.045 -9.370 -19.282 1.00 0.27 O ATOM 850 CB MET A 55 -2.117 -12.375 -19.165 1.00 0.24 C ATOM 851 CG MET A 55 -3.282 -13.287 -18.817 1.00 0.76 C ATOM 852 SD MET A 55 -2.998 -14.240 -17.312 1.00 1.86 S ATOM 853 CE MET A 55 -4.586 -15.046 -17.121 1.00 2.43 C ATOM 0 H MET A 55 -1.510 -13.056 -21.457 1.00 0.16 H new ATOM 0 HA MET A 55 -3.455 -11.299 -20.464 1.00 0.17 H new ATOM 0 HB2 MET A 55 -1.235 -12.984 -19.360 1.00 0.24 H new ATOM 0 HB3 MET A 55 -1.887 -11.748 -18.304 1.00 0.24 H new ATOM 0 HG2 MET A 55 -4.184 -12.687 -18.697 1.00 0.76 H new ATOM 0 HG3 MET A 55 -3.462 -13.971 -19.646 1.00 0.76 H new ATOM 0 HE1 MET A 55 -4.570 -15.674 -16.230 1.00 2.43 H new ATOM 0 HE2 MET A 55 -5.367 -14.292 -17.020 1.00 2.43 H new ATOM 0 HE3 MET A 55 -4.789 -15.663 -17.997 1.00 2.43 H new ATOM 863 N SER A 56 -0.747 -9.827 -21.053 1.00 0.16 N ATOM 864 CA SER A 56 -0.085 -8.534 -21.065 1.00 0.19 C ATOM 865 C SER A 56 -1.049 -7.434 -21.522 1.00 0.17 C ATOM 866 O SER A 56 -0.933 -6.281 -21.104 1.00 0.24 O ATOM 867 CB SER A 56 1.140 -8.611 -21.985 1.00 0.26 C ATOM 868 OG SER A 56 1.544 -7.331 -22.443 1.00 0.91 O ATOM 0 H SER A 56 -0.409 -10.474 -21.766 1.00 0.16 H new ATOM 0 HA SER A 56 0.240 -8.282 -20.056 1.00 0.19 H new ATOM 0 HB2 SER A 56 1.965 -9.082 -21.451 1.00 0.26 H new ATOM 0 HB3 SER A 56 0.911 -9.246 -22.841 1.00 0.26 H new ATOM 0 HG SER A 56 1.116 -7.141 -23.304 1.00 0.91 H new ATOM 874 N GLU A 57 -2.009 -7.796 -22.372 1.00 0.14 N ATOM 875 CA GLU A 57 -2.978 -6.840 -22.889 1.00 0.17 C ATOM 876 C GLU A 57 -4.241 -6.814 -22.027 1.00 0.16 C ATOM 877 O GLU A 57 -5.172 -6.056 -22.295 1.00 0.20 O ATOM 878 CB GLU A 57 -3.348 -7.194 -24.336 1.00 0.22 C ATOM 879 CG GLU A 57 -2.202 -7.049 -25.338 1.00 0.32 C ATOM 880 CD GLU A 57 -1.094 -8.073 -25.147 1.00 1.10 C ATOM 881 OE1 GLU A 57 -1.294 -9.252 -25.507 1.00 1.96 O ATOM 882 OE2 GLU A 57 -0.012 -7.695 -24.646 1.00 1.20 O ATOM 0 H GLU A 57 -2.134 -8.748 -22.716 1.00 0.14 H new ATOM 0 HA GLU A 57 -2.522 -5.851 -22.862 1.00 0.17 H new ATOM 0 HB2 GLU A 57 -3.710 -8.222 -24.364 1.00 0.22 H new ATOM 0 HB3 GLU A 57 -4.173 -6.557 -24.653 1.00 0.22 H new ATOM 0 HG2 GLU A 57 -2.600 -7.141 -26.349 1.00 0.32 H new ATOM 0 HG3 GLU A 57 -1.779 -6.048 -25.252 1.00 0.32 H new ATOM 889 N VAL A 58 -4.264 -7.651 -21.001 1.00 0.17 N ATOM 890 CA VAL A 58 -5.423 -7.802 -20.127 1.00 0.17 C ATOM 891 C VAL A 58 -5.594 -6.618 -19.164 1.00 0.20 C ATOM 892 O VAL A 58 -4.627 -5.950 -18.796 1.00 0.27 O ATOM 893 CB VAL A 58 -5.322 -9.140 -19.353 1.00 0.16 C ATOM 894 CG1 VAL A 58 -5.976 -9.079 -17.979 1.00 0.27 C ATOM 895 CG2 VAL A 58 -5.939 -10.260 -20.168 1.00 0.22 C ATOM 0 H VAL A 58 -3.477 -8.248 -20.748 1.00 0.17 H new ATOM 0 HA VAL A 58 -6.314 -7.815 -20.755 1.00 0.17 H new ATOM 0 HB VAL A 58 -4.261 -9.334 -19.194 1.00 0.16 H new ATOM 0 HG11 VAL A 58 -5.874 -10.045 -17.484 1.00 0.27 H new ATOM 0 HG12 VAL A 58 -5.490 -8.310 -17.378 1.00 0.27 H new ATOM 0 HG13 VAL A 58 -7.033 -8.838 -18.090 1.00 0.27 H new ATOM 0 HG21 VAL A 58 -5.863 -11.196 -19.615 1.00 0.22 H new ATOM 0 HG22 VAL A 58 -6.988 -10.035 -20.359 1.00 0.22 H new ATOM 0 HG23 VAL A 58 -5.410 -10.354 -21.116 1.00 0.22 H new ATOM 905 N GLN A 59 -6.855 -6.367 -18.805 1.00 0.20 N ATOM 906 CA GLN A 59 -7.252 -5.310 -17.876 1.00 0.25 C ATOM 907 C GLN A 59 -6.511 -5.416 -16.547 1.00 0.34 C ATOM 908 O GLN A 59 -6.857 -6.246 -15.712 1.00 0.57 O ATOM 909 CB GLN A 59 -8.768 -5.418 -17.636 1.00 0.31 C ATOM 910 CG GLN A 59 -9.427 -4.164 -17.076 1.00 0.41 C ATOM 911 CD GLN A 59 -9.720 -4.232 -15.586 1.00 0.77 C ATOM 912 OE1 GLN A 59 -9.000 -4.861 -14.818 1.00 1.60 O ATOM 913 NE2 GLN A 59 -10.809 -3.605 -15.174 1.00 1.25 N ATOM 0 H GLN A 59 -7.645 -6.906 -19.161 1.00 0.20 H new ATOM 0 HA GLN A 59 -6.997 -4.345 -18.314 1.00 0.25 H new ATOM 0 HB2 GLN A 59 -9.252 -5.673 -18.579 1.00 0.31 H new ATOM 0 HB3 GLN A 59 -8.953 -6.244 -16.949 1.00 0.31 H new ATOM 0 HG2 GLN A 59 -8.780 -3.309 -17.270 1.00 0.41 H new ATOM 0 HG3 GLN A 59 -10.360 -3.986 -17.611 1.00 0.41 H new ATOM 0 HE21 GLN A 59 -11.385 -3.091 -15.841 1.00 1.25 H new ATOM 0 HE22 GLN A 59 -11.073 -3.635 -14.189 1.00 1.25 H new ATOM 922 N GLY A 60 -5.474 -4.595 -16.392 1.00 0.40 N ATOM 923 CA GLY A 60 -4.779 -4.446 -15.120 1.00 0.49 C ATOM 924 C GLY A 60 -4.297 -5.751 -14.514 1.00 0.44 C ATOM 925 O GLY A 60 -3.185 -6.202 -14.790 1.00 0.58 O ATOM 0 H GLY A 60 -5.095 -4.018 -17.143 1.00 0.40 H new ATOM 0 HA2 GLY A 60 -3.922 -3.787 -15.263 1.00 0.49 H new ATOM 0 HA3 GLY A 60 -5.445 -3.954 -14.411 1.00 0.49 H new ATOM 929 N ASN A 61 -5.131 -6.339 -13.669 1.00 0.47 N ATOM 930 CA ASN A 61 -4.811 -7.599 -13.023 1.00 0.52 C ATOM 931 C ASN A 61 -5.287 -8.758 -13.874 1.00 0.52 C ATOM 932 O ASN A 61 -6.438 -8.806 -14.300 1.00 0.49 O ATOM 933 CB ASN A 61 -5.455 -7.674 -11.647 1.00 0.63 C ATOM 934 CG ASN A 61 -5.158 -8.975 -10.924 1.00 1.27 C ATOM 935 OD1 ASN A 61 -4.114 -9.594 -11.127 1.00 2.20 O ATOM 936 ND2 ASN A 61 -6.075 -9.400 -10.069 1.00 1.71 N ATOM 0 H ASN A 61 -6.042 -5.958 -13.414 1.00 0.47 H new ATOM 0 HA ASN A 61 -3.729 -7.659 -12.907 1.00 0.52 H new ATOM 0 HB2 ASN A 61 -5.103 -6.839 -11.041 1.00 0.63 H new ATOM 0 HB3 ASN A 61 -6.534 -7.560 -11.750 1.00 0.63 H new ATOM 0 HD21 ASN A 61 -5.928 -10.267 -9.553 1.00 1.71 H new ATOM 0 HD22 ASN A 61 -6.929 -8.860 -9.927 1.00 1.71 H new ATOM 943 N THR A 62 -4.405 -9.709 -14.077 1.00 0.62 N ATOM 944 CA THR A 62 -4.644 -10.798 -14.997 1.00 0.71 C ATOM 945 C THR A 62 -5.616 -11.812 -14.406 1.00 0.70 C ATOM 946 O THR A 62 -6.141 -12.675 -15.107 1.00 0.82 O ATOM 947 CB THR A 62 -3.303 -11.455 -15.342 1.00 0.86 C ATOM 948 OG1 THR A 62 -2.791 -12.157 -14.203 1.00 0.87 O ATOM 949 CG2 THR A 62 -2.315 -10.373 -15.740 1.00 0.95 C ATOM 0 H THR A 62 -3.500 -9.750 -13.608 1.00 0.62 H new ATOM 0 HA THR A 62 -5.102 -10.410 -15.907 1.00 0.71 H new ATOM 0 HB THR A 62 -3.447 -12.159 -16.162 1.00 0.86 H new ATOM 0 HG1 THR A 62 -1.935 -12.575 -14.434 1.00 0.87 H new ATOM 0 HG21 THR A 62 -1.356 -10.829 -15.988 1.00 0.95 H new ATOM 0 HG22 THR A 62 -2.696 -9.834 -16.608 1.00 0.95 H new ATOM 0 HG23 THR A 62 -2.183 -9.678 -14.911 1.00 0.95 H new ATOM 957 N VAL A 63 -5.869 -11.673 -13.113 1.00 0.63 N ATOM 958 CA VAL A 63 -6.792 -12.549 -12.413 1.00 0.71 C ATOM 959 C VAL A 63 -8.200 -11.934 -12.407 1.00 0.64 C ATOM 960 O VAL A 63 -9.155 -12.529 -11.910 1.00 0.74 O ATOM 961 CB VAL A 63 -6.319 -12.806 -10.958 1.00 0.84 C ATOM 962 CG1 VAL A 63 -7.086 -13.962 -10.323 1.00 1.39 C ATOM 963 CG2 VAL A 63 -4.815 -13.071 -10.916 1.00 1.31 C ATOM 0 H VAL A 63 -5.444 -10.956 -12.525 1.00 0.63 H new ATOM 0 HA VAL A 63 -6.819 -13.504 -12.937 1.00 0.71 H new ATOM 0 HB VAL A 63 -6.527 -11.907 -10.378 1.00 0.84 H new ATOM 0 HG11 VAL A 63 -6.732 -14.117 -9.304 1.00 1.39 H new ATOM 0 HG12 VAL A 63 -8.150 -13.726 -10.305 1.00 1.39 H new ATOM 0 HG13 VAL A 63 -6.925 -14.869 -10.905 1.00 1.39 H new ATOM 0 HG21 VAL A 63 -4.505 -13.249 -9.886 1.00 1.31 H new ATOM 0 HG22 VAL A 63 -4.583 -13.948 -11.521 1.00 1.31 H new ATOM 0 HG23 VAL A 63 -4.282 -12.206 -11.311 1.00 1.31 H new ATOM 973 N ALA A 64 -8.323 -10.738 -12.976 1.00 0.55 N ATOM 974 CA ALA A 64 -9.603 -10.039 -13.023 1.00 0.53 C ATOM 975 C ALA A 64 -10.352 -10.365 -14.305 1.00 0.44 C ATOM 976 O ALA A 64 -11.552 -10.099 -14.435 1.00 0.56 O ATOM 977 CB ALA A 64 -9.397 -8.538 -12.897 1.00 0.57 C ATOM 0 H ALA A 64 -7.551 -10.233 -13.411 1.00 0.55 H new ATOM 0 HA ALA A 64 -10.205 -10.379 -12.180 1.00 0.53 H new ATOM 0 HB1 ALA A 64 -10.363 -8.034 -12.934 1.00 0.57 H new ATOM 0 HB2 ALA A 64 -8.908 -8.316 -11.948 1.00 0.57 H new ATOM 0 HB3 ALA A 64 -8.772 -8.186 -13.718 1.00 0.57 H new ATOM 983 N LEU A 65 -9.635 -10.941 -15.252 1.00 0.35 N ATOM 984 CA LEU A 65 -10.219 -11.325 -16.524 1.00 0.25 C ATOM 985 C LEU A 65 -10.442 -12.832 -16.535 1.00 0.22 C ATOM 986 O LEU A 65 -9.511 -13.602 -16.307 1.00 0.26 O ATOM 987 CB LEU A 65 -9.282 -10.916 -17.665 1.00 0.23 C ATOM 988 CG LEU A 65 -9.954 -10.290 -18.884 1.00 0.25 C ATOM 989 CD1 LEU A 65 -9.505 -8.853 -19.059 1.00 1.51 C ATOM 990 CD2 LEU A 65 -9.648 -11.106 -20.125 1.00 1.21 C ATOM 0 H LEU A 65 -8.641 -11.154 -15.163 1.00 0.35 H new ATOM 0 HA LEU A 65 -11.175 -10.820 -16.661 1.00 0.25 H new ATOM 0 HB2 LEU A 65 -8.551 -10.209 -17.274 1.00 0.23 H new ATOM 0 HB3 LEU A 65 -8.730 -11.798 -17.991 1.00 0.23 H new ATOM 0 HG LEU A 65 -11.033 -10.290 -18.729 1.00 0.25 H new ATOM 0 HD11 LEU A 65 -9.994 -8.423 -19.933 1.00 1.51 H new ATOM 0 HD12 LEU A 65 -9.773 -8.278 -18.173 1.00 1.51 H new ATOM 0 HD13 LEU A 65 -8.424 -8.824 -19.197 1.00 1.51 H new ATOM 0 HD21 LEU A 65 -10.132 -10.650 -20.989 1.00 1.21 H new ATOM 0 HD22 LEU A 65 -8.570 -11.133 -20.286 1.00 1.21 H new ATOM 0 HD23 LEU A 65 -10.021 -12.122 -19.994 1.00 1.21 H new ATOM 1002 N HIS A 66 -11.671 -13.255 -16.790 1.00 0.20 N ATOM 1003 CA HIS A 66 -12.003 -14.671 -16.745 1.00 0.21 C ATOM 1004 C HIS A 66 -12.559 -15.152 -18.079 1.00 0.15 C ATOM 1005 O HIS A 66 -13.134 -14.374 -18.842 1.00 0.15 O ATOM 1006 CB HIS A 66 -13.031 -14.946 -15.644 1.00 0.31 C ATOM 1007 CG HIS A 66 -12.558 -14.638 -14.256 1.00 0.53 C ATOM 1008 ND1 HIS A 66 -11.832 -15.512 -13.476 1.00 0.75 N ATOM 1009 CD2 HIS A 66 -12.744 -13.528 -13.501 1.00 0.76 C ATOM 1010 CE1 HIS A 66 -11.606 -14.918 -12.298 1.00 0.90 C ATOM 1011 NE2 HIS A 66 -12.142 -13.711 -12.262 1.00 0.91 N ATOM 0 H HIS A 66 -12.451 -12.642 -17.029 1.00 0.20 H new ATOM 0 HA HIS A 66 -11.083 -15.215 -16.531 1.00 0.21 H new ATOM 0 HB2 HIS A 66 -13.927 -14.359 -15.847 1.00 0.31 H new ATOM 0 HB3 HIS A 66 -13.321 -15.996 -15.690 1.00 0.31 H new ATOM 0 HD2 HIS A 66 -13.276 -12.641 -13.813 1.00 0.76 H new ATOM 0 HE1 HIS A 66 -11.057 -15.367 -11.483 1.00 0.90 H new ATOM 0 HE2 HIS A 66 -12.119 -13.050 -11.485 1.00 0.91 H new ATOM 1019 N PRO A 67 -12.391 -16.451 -18.378 1.00 0.15 N ATOM 1020 CA PRO A 67 -12.986 -17.067 -19.560 1.00 0.14 C ATOM 1021 C PRO A 67 -14.508 -17.125 -19.447 1.00 0.15 C ATOM 1022 O PRO A 67 -15.050 -17.488 -18.402 1.00 0.28 O ATOM 1023 CB PRO A 67 -12.384 -18.475 -19.585 1.00 0.19 C ATOM 1024 CG PRO A 67 -11.989 -18.746 -18.174 1.00 0.20 C ATOM 1025 CD PRO A 67 -11.609 -17.415 -17.582 1.00 0.19 C ATOM 0 HA PRO A 67 -12.780 -16.505 -20.471 1.00 0.14 H new ATOM 0 HB2 PRO A 67 -13.108 -19.208 -19.941 1.00 0.19 H new ATOM 0 HB3 PRO A 67 -11.524 -18.526 -20.253 1.00 0.19 H new ATOM 0 HG2 PRO A 67 -12.811 -19.198 -17.619 1.00 0.20 H new ATOM 0 HG3 PRO A 67 -11.153 -19.444 -18.131 1.00 0.20 H new ATOM 0 HD2 PRO A 67 -11.861 -17.360 -16.523 1.00 0.19 H new ATOM 0 HD3 PRO A 67 -10.538 -17.229 -17.665 1.00 0.19 H new ATOM 1033 N GLY A 68 -15.191 -16.758 -20.521 1.00 0.15 N ATOM 1034 CA GLY A 68 -16.637 -16.676 -20.489 1.00 0.18 C ATOM 1035 C GLY A 68 -17.118 -15.261 -20.244 1.00 0.18 C ATOM 1036 O GLY A 68 -18.280 -14.943 -20.491 1.00 0.22 O ATOM 0 H GLY A 68 -14.768 -16.515 -21.417 1.00 0.15 H new ATOM 0 HA2 GLY A 68 -17.042 -17.038 -21.434 1.00 0.18 H new ATOM 0 HA3 GLY A 68 -17.020 -17.330 -19.706 1.00 0.18 H new ATOM 1040 N ASP A 69 -16.222 -14.413 -19.752 1.00 0.18 N ATOM 1041 CA ASP A 69 -16.531 -13.003 -19.568 1.00 0.20 C ATOM 1042 C ASP A 69 -16.551 -12.296 -20.906 1.00 0.13 C ATOM 1043 O ASP A 69 -15.853 -12.701 -21.844 1.00 0.12 O ATOM 1044 CB ASP A 69 -15.498 -12.311 -18.674 1.00 0.27 C ATOM 1045 CG ASP A 69 -15.776 -12.450 -17.190 1.00 0.68 C ATOM 1046 OD1 ASP A 69 -16.955 -12.543 -16.802 1.00 1.28 O ATOM 1047 OD2 ASP A 69 -14.807 -12.405 -16.396 1.00 1.09 O ATOM 0 H ASP A 69 -15.277 -14.678 -19.474 1.00 0.18 H new ATOM 0 HA ASP A 69 -17.509 -12.947 -19.090 1.00 0.20 H new ATOM 0 HB2 ASP A 69 -14.512 -12.723 -18.889 1.00 0.27 H new ATOM 0 HB3 ASP A 69 -15.463 -11.252 -18.929 1.00 0.27 H new ATOM 1052 N THR A 70 -17.348 -11.245 -21.001 1.00 0.13 N ATOM 1053 CA THR A 70 -17.330 -10.399 -22.176 1.00 0.11 C ATOM 1054 C THR A 70 -16.167 -9.434 -22.053 1.00 0.10 C ATOM 1055 O THR A 70 -15.937 -8.872 -20.982 1.00 0.14 O ATOM 1056 CB THR A 70 -18.641 -9.606 -22.340 1.00 0.14 C ATOM 1057 OG1 THR A 70 -19.758 -10.465 -22.069 1.00 0.17 O ATOM 1058 CG2 THR A 70 -18.764 -9.051 -23.754 1.00 0.15 C ATOM 0 H THR A 70 -18.012 -10.960 -20.281 1.00 0.13 H new ATOM 0 HA THR A 70 -17.222 -11.033 -23.056 1.00 0.11 H new ATOM 0 HB THR A 70 -18.632 -8.773 -21.637 1.00 0.14 H new ATOM 0 HG1 THR A 70 -20.592 -9.960 -22.172 1.00 0.17 H new ATOM 0 HG21 THR A 70 -19.697 -8.495 -23.847 1.00 0.15 H new ATOM 0 HG22 THR A 70 -17.924 -8.387 -23.959 1.00 0.15 H new ATOM 0 HG23 THR A 70 -18.759 -9.873 -24.469 1.00 0.15 H new ATOM 1066 N VAL A 71 -15.414 -9.255 -23.117 1.00 0.10 N ATOM 1067 CA VAL A 71 -14.280 -8.357 -23.077 1.00 0.12 C ATOM 1068 C VAL A 71 -14.245 -7.474 -24.307 1.00 0.12 C ATOM 1069 O VAL A 71 -14.965 -7.706 -25.281 1.00 0.16 O ATOM 1070 CB VAL A 71 -12.933 -9.105 -22.959 1.00 0.17 C ATOM 1071 CG1 VAL A 71 -12.837 -9.843 -21.633 1.00 0.31 C ATOM 1072 CG2 VAL A 71 -12.745 -10.055 -24.128 1.00 0.24 C ATOM 0 H VAL A 71 -15.565 -9.716 -24.014 1.00 0.10 H new ATOM 0 HA VAL A 71 -14.410 -7.746 -22.183 1.00 0.12 H new ATOM 0 HB VAL A 71 -12.129 -8.369 -22.989 1.00 0.17 H new ATOM 0 HG11 VAL A 71 -11.880 -10.362 -21.574 1.00 0.31 H new ATOM 0 HG12 VAL A 71 -12.914 -9.129 -20.813 1.00 0.31 H new ATOM 0 HG13 VAL A 71 -13.648 -10.568 -21.561 1.00 0.31 H new ATOM 0 HG21 VAL A 71 -11.791 -10.572 -24.027 1.00 0.24 H new ATOM 0 HG22 VAL A 71 -13.554 -10.785 -24.137 1.00 0.24 H new ATOM 0 HG23 VAL A 71 -12.755 -9.491 -25.061 1.00 0.24 H new ATOM 1082 N GLU A 72 -13.416 -6.452 -24.242 1.00 0.14 N ATOM 1083 CA GLU A 72 -13.161 -5.610 -25.387 1.00 0.14 C ATOM 1084 C GLU A 72 -11.717 -5.800 -25.795 1.00 0.14 C ATOM 1085 O GLU A 72 -10.869 -6.109 -24.961 1.00 0.24 O ATOM 1086 CB GLU A 72 -13.445 -4.132 -25.082 1.00 0.21 C ATOM 1087 CG GLU A 72 -12.202 -3.264 -25.042 1.00 0.33 C ATOM 1088 CD GLU A 72 -12.498 -1.790 -25.228 1.00 0.42 C ATOM 1089 OE1 GLU A 72 -11.542 -0.998 -25.299 1.00 0.59 O ATOM 1090 OE2 GLU A 72 -13.697 -1.426 -25.283 1.00 0.78 O ATOM 0 H GLU A 72 -12.905 -6.185 -23.400 1.00 0.14 H new ATOM 0 HA GLU A 72 -13.829 -5.896 -26.200 1.00 0.14 H new ATOM 0 HB2 GLU A 72 -14.126 -3.740 -25.837 1.00 0.21 H new ATOM 0 HB3 GLU A 72 -13.957 -4.061 -24.122 1.00 0.21 H new ATOM 0 HG2 GLU A 72 -11.696 -3.409 -24.088 1.00 0.33 H new ATOM 0 HG3 GLU A 72 -11.513 -3.591 -25.821 1.00 0.33 H new ATOM 1097 N PHE A 73 -11.454 -5.643 -27.070 1.00 0.09 N ATOM 1098 CA PHE A 73 -10.123 -5.816 -27.599 1.00 0.08 C ATOM 1099 C PHE A 73 -10.004 -5.070 -28.909 1.00 0.07 C ATOM 1100 O PHE A 73 -10.958 -4.447 -29.363 1.00 0.07 O ATOM 1101 CB PHE A 73 -9.805 -7.303 -27.791 1.00 0.08 C ATOM 1102 CG PHE A 73 -10.821 -8.044 -28.608 1.00 0.08 C ATOM 1103 CD1 PHE A 73 -10.624 -8.258 -29.959 1.00 0.09 C ATOM 1104 CD2 PHE A 73 -11.971 -8.537 -28.015 1.00 0.11 C ATOM 1105 CE1 PHE A 73 -11.560 -8.940 -30.706 1.00 0.10 C ATOM 1106 CE2 PHE A 73 -12.910 -9.219 -28.756 1.00 0.11 C ATOM 1107 CZ PHE A 73 -12.703 -9.425 -30.106 1.00 0.10 C ATOM 0 H PHE A 73 -12.154 -5.393 -27.768 1.00 0.09 H new ATOM 0 HA PHE A 73 -9.401 -5.411 -26.890 1.00 0.08 H new ATOM 0 HB2 PHE A 73 -8.830 -7.397 -28.270 1.00 0.08 H new ATOM 0 HB3 PHE A 73 -9.726 -7.776 -26.812 1.00 0.08 H new ATOM 0 HD1 PHE A 73 -9.728 -7.887 -30.434 1.00 0.09 H new ATOM 0 HD2 PHE A 73 -12.133 -8.385 -26.958 1.00 0.11 H new ATOM 0 HE1 PHE A 73 -11.398 -9.095 -31.763 1.00 0.10 H new ATOM 0 HE2 PHE A 73 -13.806 -9.592 -28.283 1.00 0.11 H new ATOM 0 HZ PHE A 73 -13.434 -9.964 -30.690 1.00 0.10 H new ATOM 1117 N SER A 74 -8.840 -5.118 -29.504 1.00 0.09 N ATOM 1118 CA SER A 74 -8.617 -4.445 -30.765 1.00 0.10 C ATOM 1119 C SER A 74 -7.978 -5.426 -31.718 1.00 0.12 C ATOM 1120 O SER A 74 -7.047 -6.136 -31.341 1.00 0.19 O ATOM 1121 CB SER A 74 -7.718 -3.220 -30.573 1.00 0.15 C ATOM 1122 OG SER A 74 -8.014 -2.560 -29.347 1.00 0.86 O ATOM 0 H SER A 74 -8.029 -5.616 -29.138 1.00 0.09 H new ATOM 0 HA SER A 74 -9.566 -4.095 -31.171 1.00 0.10 H new ATOM 0 HB2 SER A 74 -6.672 -3.526 -30.582 1.00 0.15 H new ATOM 0 HB3 SER A 74 -7.855 -2.529 -31.405 1.00 0.15 H new ATOM 0 HG SER A 74 -7.671 -3.091 -28.598 1.00 0.86 H new ATOM 1128 N VAL A 75 -8.480 -5.481 -32.934 1.00 0.17 N ATOM 1129 CA VAL A 75 -8.052 -6.501 -33.864 1.00 0.19 C ATOM 1130 C VAL A 75 -6.926 -5.990 -34.760 1.00 0.20 C ATOM 1131 O VAL A 75 -7.152 -5.280 -35.741 1.00 0.27 O ATOM 1132 CB VAL A 75 -9.249 -7.033 -34.693 1.00 0.27 C ATOM 1133 CG1 VAL A 75 -10.001 -5.904 -35.386 1.00 0.33 C ATOM 1134 CG2 VAL A 75 -8.801 -8.083 -35.701 1.00 0.36 C ATOM 0 H VAL A 75 -9.180 -4.835 -33.298 1.00 0.17 H new ATOM 0 HA VAL A 75 -7.655 -7.338 -33.290 1.00 0.19 H new ATOM 0 HB VAL A 75 -9.937 -7.508 -33.994 1.00 0.27 H new ATOM 0 HG11 VAL A 75 -10.833 -6.317 -35.957 1.00 0.33 H new ATOM 0 HG12 VAL A 75 -10.384 -5.209 -34.638 1.00 0.33 H new ATOM 0 HG13 VAL A 75 -9.325 -5.376 -36.059 1.00 0.33 H new ATOM 0 HG21 VAL A 75 -9.663 -8.436 -36.266 1.00 0.36 H new ATOM 0 HG22 VAL A 75 -8.074 -7.644 -36.384 1.00 0.36 H new ATOM 0 HG23 VAL A 75 -8.344 -8.921 -35.175 1.00 0.36 H new ATOM 1144 N VAL A 76 -5.702 -6.335 -34.387 1.00 0.19 N ATOM 1145 CA VAL A 76 -4.536 -5.983 -35.176 1.00 0.26 C ATOM 1146 C VAL A 76 -4.058 -7.204 -35.964 1.00 0.25 C ATOM 1147 O VAL A 76 -3.549 -8.170 -35.395 1.00 0.25 O ATOM 1148 CB VAL A 76 -3.394 -5.409 -34.292 1.00 0.33 C ATOM 1149 CG1 VAL A 76 -3.060 -6.338 -33.131 1.00 0.32 C ATOM 1150 CG2 VAL A 76 -2.154 -5.123 -35.130 1.00 0.42 C ATOM 0 H VAL A 76 -5.493 -6.861 -33.538 1.00 0.19 H new ATOM 0 HA VAL A 76 -4.821 -5.197 -35.875 1.00 0.26 H new ATOM 0 HB VAL A 76 -3.748 -4.469 -33.868 1.00 0.33 H new ATOM 0 HG11 VAL A 76 -2.257 -5.903 -32.536 1.00 0.32 H new ATOM 0 HG12 VAL A 76 -3.943 -6.472 -32.506 1.00 0.32 H new ATOM 0 HG13 VAL A 76 -2.740 -7.305 -33.519 1.00 0.32 H new ATOM 0 HG21 VAL A 76 -1.367 -4.722 -34.491 1.00 0.42 H new ATOM 0 HG22 VAL A 76 -1.808 -6.046 -35.595 1.00 0.42 H new ATOM 0 HG23 VAL A 76 -2.398 -4.396 -35.905 1.00 0.42 H new ATOM 1160 N THR A 77 -4.279 -7.185 -37.270 1.00 0.34 N ATOM 1161 CA THR A 77 -3.904 -8.302 -38.116 1.00 0.38 C ATOM 1162 C THR A 77 -2.399 -8.340 -38.327 1.00 0.44 C ATOM 1163 O THR A 77 -1.781 -7.331 -38.675 1.00 0.56 O ATOM 1164 CB THR A 77 -4.607 -8.239 -39.484 1.00 0.57 C ATOM 1165 OG1 THR A 77 -6.020 -8.080 -39.293 1.00 0.67 O ATOM 1166 CG2 THR A 77 -4.343 -9.507 -40.294 1.00 0.62 C ATOM 0 H THR A 77 -4.716 -6.407 -37.764 1.00 0.34 H new ATOM 0 HA THR A 77 -4.221 -9.210 -37.603 1.00 0.38 H new ATOM 0 HB THR A 77 -4.209 -7.387 -40.035 1.00 0.57 H new ATOM 0 HG1 THR A 77 -6.341 -8.750 -38.654 1.00 0.67 H new ATOM 0 HG21 THR A 77 -4.851 -9.437 -41.256 1.00 0.62 H new ATOM 0 HG22 THR A 77 -3.271 -9.618 -40.457 1.00 0.62 H new ATOM 0 HG23 THR A 77 -4.718 -10.372 -39.748 1.00 0.62 H new ATOM 1174 N ASN A 78 -1.813 -9.505 -38.100 1.00 0.44 N ATOM 1175 CA ASN A 78 -0.393 -9.697 -38.327 1.00 0.57 C ATOM 1176 C ASN A 78 -0.133 -9.841 -39.810 1.00 0.66 C ATOM 1177 O ASN A 78 -0.359 -10.902 -40.374 1.00 0.70 O ATOM 1178 CB ASN A 78 0.109 -10.942 -37.596 1.00 0.64 C ATOM 1179 CG ASN A 78 0.259 -10.720 -36.105 1.00 1.10 C ATOM 1180 OD1 ASN A 78 1.312 -10.292 -35.630 1.00 1.82 O ATOM 1181 ND2 ASN A 78 -0.786 -11.026 -35.353 1.00 1.54 N ATOM 0 H ASN A 78 -2.302 -10.332 -37.758 1.00 0.44 H new ATOM 0 HA ASN A 78 0.141 -8.829 -37.941 1.00 0.57 H new ATOM 0 HB2 ASN A 78 -0.584 -11.765 -37.769 1.00 0.64 H new ATOM 0 HB3 ASN A 78 1.070 -11.242 -38.014 1.00 0.64 H new ATOM 0 HD21 ASN A 78 -0.737 -10.910 -34.341 1.00 1.54 H new ATOM 0 HD22 ASN A 78 -1.640 -11.378 -35.786 1.00 1.54 H new ATOM 1188 N GLN A 79 0.332 -8.776 -40.441 1.00 0.79 N ATOM 1189 CA GLN A 79 0.592 -8.794 -41.877 1.00 0.91 C ATOM 1190 C GLN A 79 1.644 -9.840 -42.232 1.00 0.94 C ATOM 1191 O GLN A 79 1.724 -10.296 -43.373 1.00 1.06 O ATOM 1192 CB GLN A 79 1.032 -7.415 -42.366 1.00 1.09 C ATOM 1193 CG GLN A 79 2.222 -6.835 -41.617 1.00 1.18 C ATOM 1194 CD GLN A 79 2.643 -5.478 -42.156 1.00 1.43 C ATOM 1195 OE1 GLN A 79 2.485 -5.188 -43.343 1.00 1.95 O ATOM 1196 NE2 GLN A 79 3.178 -4.633 -41.287 1.00 1.90 N ATOM 0 H GLN A 79 0.538 -7.887 -39.985 1.00 0.79 H new ATOM 0 HA GLN A 79 -0.338 -9.061 -42.379 1.00 0.91 H new ATOM 0 HB2 GLN A 79 1.281 -7.481 -43.425 1.00 1.09 H new ATOM 0 HB3 GLN A 79 0.192 -6.726 -42.278 1.00 1.09 H new ATOM 0 HG2 GLN A 79 1.971 -6.741 -40.560 1.00 1.18 H new ATOM 0 HG3 GLN A 79 3.062 -7.526 -41.685 1.00 1.18 H new ATOM 0 HE21 GLN A 79 3.293 -4.909 -40.312 1.00 1.90 H new ATOM 0 HE22 GLN A 79 3.475 -3.706 -41.593 1.00 1.90 H new ATOM 1205 N ARG A 80 2.435 -10.217 -41.242 1.00 0.93 N ATOM 1206 CA ARG A 80 3.468 -11.221 -41.416 1.00 1.03 C ATOM 1207 C ARG A 80 2.871 -12.626 -41.556 1.00 1.02 C ATOM 1208 O ARG A 80 3.315 -13.414 -42.391 1.00 1.21 O ATOM 1209 CB ARG A 80 4.434 -11.158 -40.228 1.00 1.18 C ATOM 1210 CG ARG A 80 5.449 -12.293 -40.176 1.00 1.35 C ATOM 1211 CD ARG A 80 6.380 -12.285 -41.379 1.00 1.67 C ATOM 1212 NE ARG A 80 7.280 -13.436 -41.364 1.00 2.41 N ATOM 1213 CZ ARG A 80 8.074 -13.784 -42.374 1.00 3.02 C ATOM 1214 NH1 ARG A 80 8.127 -13.043 -43.475 1.00 3.01 N ATOM 1215 NH2 ARG A 80 8.837 -14.865 -42.267 1.00 3.99 N ATOM 0 H ARG A 80 2.379 -9.836 -40.297 1.00 0.93 H new ATOM 0 HA ARG A 80 4.009 -11.010 -42.339 1.00 1.03 H new ATOM 0 HB2 ARG A 80 4.970 -10.210 -40.262 1.00 1.18 H new ATOM 0 HB3 ARG A 80 3.855 -11.163 -39.305 1.00 1.18 H new ATOM 0 HG2 ARG A 80 6.038 -12.211 -39.262 1.00 1.35 H new ATOM 0 HG3 ARG A 80 4.923 -13.247 -40.132 1.00 1.35 H new ATOM 0 HD2 ARG A 80 5.792 -12.293 -42.296 1.00 1.67 H new ATOM 0 HD3 ARG A 80 6.964 -11.365 -41.383 1.00 1.67 H new ATOM 0 HE ARG A 80 7.301 -14.012 -40.522 1.00 2.41 H new ATOM 0 HH11 ARG A 80 7.557 -12.201 -43.551 1.00 3.01 H new ATOM 0 HH12 ARG A 80 8.738 -13.316 -44.245 1.00 3.01 H new ATOM 0 HH21 ARG A 80 8.813 -15.424 -41.414 1.00 3.99 H new ATOM 0 HH22 ARG A 80 9.447 -15.137 -43.038 1.00 3.99 H new ATOM 1229 N ASN A 81 1.855 -12.929 -40.755 1.00 0.91 N ATOM 1230 CA ASN A 81 1.324 -14.294 -40.690 1.00 1.01 C ATOM 1231 C ASN A 81 -0.108 -14.389 -41.207 1.00 0.87 C ATOM 1232 O ASN A 81 -0.509 -15.414 -41.756 1.00 1.04 O ATOM 1233 CB ASN A 81 1.410 -14.819 -39.257 1.00 1.16 C ATOM 1234 CG ASN A 81 2.847 -15.020 -38.813 1.00 1.53 C ATOM 1235 OD1 ASN A 81 3.710 -15.393 -39.608 1.00 1.95 O ATOM 1236 ND2 ASN A 81 3.123 -14.744 -37.548 1.00 2.21 N ATOM 0 H ASN A 81 1.384 -12.259 -40.146 1.00 0.91 H new ATOM 0 HA ASN A 81 1.938 -14.914 -41.344 1.00 1.01 H new ATOM 0 HB2 ASN A 81 0.917 -14.118 -38.583 1.00 1.16 H new ATOM 0 HB3 ASN A 81 0.872 -15.764 -39.184 1.00 1.16 H new ATOM 0 HD21 ASN A 81 4.078 -14.838 -37.202 1.00 2.21 H new ATOM 0 HD22 ASN A 81 2.381 -14.437 -36.919 1.00 2.21 H new ATOM 1243 N GLY A 82 -0.873 -13.328 -41.029 1.00 0.68 N ATOM 1244 CA GLY A 82 -2.229 -13.291 -41.540 1.00 0.69 C ATOM 1245 C GLY A 82 -3.280 -13.330 -40.452 1.00 0.52 C ATOM 1246 O GLY A 82 -4.423 -12.944 -40.677 1.00 0.58 O ATOM 0 H GLY A 82 -0.580 -12.484 -40.537 1.00 0.68 H new ATOM 0 HA2 GLY A 82 -2.362 -12.385 -42.132 1.00 0.69 H new ATOM 0 HA3 GLY A 82 -2.380 -14.136 -42.212 1.00 0.69 H new ATOM 1250 N LYS A 83 -2.907 -13.798 -39.272 1.00 0.45 N ATOM 1251 CA LYS A 83 -3.844 -13.852 -38.161 1.00 0.39 C ATOM 1252 C LYS A 83 -3.680 -12.642 -37.260 1.00 0.35 C ATOM 1253 O LYS A 83 -2.595 -12.082 -37.150 1.00 0.49 O ATOM 1254 CB LYS A 83 -3.677 -15.142 -37.360 1.00 0.53 C ATOM 1255 CG LYS A 83 -2.243 -15.434 -36.954 1.00 0.64 C ATOM 1256 CD LYS A 83 -2.146 -16.724 -36.151 1.00 1.01 C ATOM 1257 CE LYS A 83 -0.704 -17.174 -35.962 1.00 1.61 C ATOM 1258 NZ LYS A 83 0.087 -16.230 -35.132 1.00 2.42 N ATOM 0 H LYS A 83 -1.971 -14.143 -39.059 1.00 0.45 H new ATOM 0 HA LYS A 83 -4.852 -13.840 -38.575 1.00 0.39 H new ATOM 0 HB2 LYS A 83 -4.293 -15.083 -36.463 1.00 0.53 H new ATOM 0 HB3 LYS A 83 -4.054 -15.976 -37.951 1.00 0.53 H new ATOM 0 HG2 LYS A 83 -1.619 -15.510 -37.845 1.00 0.64 H new ATOM 0 HG3 LYS A 83 -1.854 -14.605 -36.362 1.00 0.64 H new ATOM 0 HD2 LYS A 83 -2.611 -16.579 -35.176 1.00 1.01 H new ATOM 0 HD3 LYS A 83 -2.707 -17.509 -36.658 1.00 1.01 H new ATOM 0 HE2 LYS A 83 -0.693 -18.159 -35.495 1.00 1.61 H new ATOM 0 HE3 LYS A 83 -0.230 -17.279 -36.938 1.00 1.61 H new ATOM 0 HZ1 LYS A 83 1.060 -16.584 -35.035 1.00 2.42 H new ATOM 0 HZ2 LYS A 83 0.102 -15.296 -35.588 1.00 2.42 H new ATOM 0 HZ3 LYS A 83 -0.347 -16.148 -34.190 1.00 2.42 H new ATOM 1272 N SER A 84 -4.760 -12.245 -36.621 1.00 0.31 N ATOM 1273 CA SER A 84 -4.772 -11.048 -35.802 1.00 0.25 C ATOM 1274 C SER A 84 -4.471 -11.364 -34.342 1.00 0.24 C ATOM 1275 O SER A 84 -4.162 -12.507 -33.986 1.00 0.30 O ATOM 1276 CB SER A 84 -6.134 -10.377 -35.932 1.00 0.27 C ATOM 1277 OG SER A 84 -6.493 -10.232 -37.296 1.00 1.08 O ATOM 0 H SER A 84 -5.652 -12.739 -36.653 1.00 0.31 H new ATOM 0 HA SER A 84 -3.990 -10.375 -36.152 1.00 0.25 H new ATOM 0 HB2 SER A 84 -6.888 -10.969 -35.413 1.00 0.27 H new ATOM 0 HB3 SER A 84 -6.111 -9.399 -35.451 1.00 0.27 H new ATOM 0 HG SER A 84 -7.371 -9.801 -37.359 1.00 1.08 H new ATOM 1283 N SER A 85 -4.536 -10.339 -33.504 1.00 0.20 N ATOM 1284 CA SER A 85 -4.304 -10.488 -32.078 1.00 0.20 C ATOM 1285 C SER A 85 -5.121 -9.446 -31.319 1.00 0.18 C ATOM 1286 O SER A 85 -5.400 -8.375 -31.856 1.00 0.26 O ATOM 1287 CB SER A 85 -2.811 -10.332 -31.773 1.00 0.25 C ATOM 1288 OG SER A 85 -2.029 -11.174 -32.615 1.00 0.87 O ATOM 0 H SER A 85 -4.750 -9.385 -33.794 1.00 0.20 H new ATOM 0 HA SER A 85 -4.617 -11.482 -31.758 1.00 0.20 H new ATOM 0 HB2 SER A 85 -2.514 -9.293 -31.914 1.00 0.25 H new ATOM 0 HB3 SER A 85 -2.621 -10.579 -30.728 1.00 0.25 H new ATOM 0 HG SER A 85 -1.829 -12.011 -32.146 1.00 0.87 H new ATOM 1294 N ALA A 86 -5.531 -9.768 -30.094 1.00 0.14 N ATOM 1295 CA ALA A 86 -6.349 -8.877 -29.295 1.00 0.12 C ATOM 1296 C ALA A 86 -5.486 -7.951 -28.450 1.00 0.13 C ATOM 1297 O ALA A 86 -4.685 -8.397 -27.633 1.00 0.17 O ATOM 1298 CB ALA A 86 -7.291 -9.673 -28.405 1.00 0.13 C ATOM 0 H ALA A 86 -5.304 -10.650 -29.635 1.00 0.14 H new ATOM 0 HA ALA A 86 -6.941 -8.265 -29.976 1.00 0.12 H new ATOM 0 HB1 ALA A 86 -7.897 -8.988 -27.812 1.00 0.13 H new ATOM 0 HB2 ALA A 86 -7.942 -10.291 -29.024 1.00 0.13 H new ATOM 0 HB3 ALA A 86 -6.710 -10.312 -27.740 1.00 0.13 H new ATOM 1304 N CYS A 87 -5.657 -6.663 -28.657 1.00 0.14 N ATOM 1305 CA CYS A 87 -4.939 -5.658 -27.897 1.00 0.17 C ATOM 1306 C CYS A 87 -5.915 -4.809 -27.100 1.00 0.17 C ATOM 1307 O CYS A 87 -7.019 -4.531 -27.567 1.00 0.21 O ATOM 1308 CB CYS A 87 -4.148 -4.779 -28.857 1.00 0.22 C ATOM 1309 SG CYS A 87 -2.643 -5.556 -29.490 1.00 0.68 S ATOM 0 H CYS A 87 -6.296 -6.282 -29.355 1.00 0.14 H new ATOM 0 HA CYS A 87 -4.257 -6.147 -27.202 1.00 0.17 H new ATOM 0 HB2 CYS A 87 -4.787 -4.509 -29.698 1.00 0.22 H new ATOM 0 HB3 CYS A 87 -3.881 -3.852 -28.349 1.00 0.22 H new ATOM 0 HG CYS A 87 -2.039 -4.737 -30.298 1.00 0.68 H new ATOM 1315 N ASN A 88 -5.497 -4.408 -25.906 1.00 0.17 N ATOM 1316 CA ASN A 88 -6.346 -3.635 -24.999 1.00 0.20 C ATOM 1317 C ASN A 88 -7.567 -4.462 -24.603 1.00 0.18 C ATOM 1318 O ASN A 88 -8.695 -4.156 -24.991 1.00 0.27 O ATOM 1319 CB ASN A 88 -6.784 -2.309 -25.649 1.00 0.27 C ATOM 1320 CG ASN A 88 -7.391 -1.323 -24.663 1.00 0.99 C ATOM 1321 OD1 ASN A 88 -8.699 -1.407 -24.456 1.00 1.82 O flip ATOM 1322 ND2 ASN A 88 -6.693 -0.480 -24.104 1.00 1.60 N flip ATOM 0 H ASN A 88 -4.567 -4.606 -25.538 1.00 0.17 H new ATOM 0 HA ASN A 88 -5.770 -3.396 -24.105 1.00 0.20 H new ATOM 0 HB2 ASN A 88 -5.922 -1.846 -26.129 1.00 0.27 H new ATOM 0 HB3 ASN A 88 -7.511 -2.520 -26.434 1.00 0.27 H new ATOM 0 HD21 ASN A 88 -5.690 -0.445 -24.287 1.00 1.60 H new ATOM 0 HD22 ASN A 88 -7.116 0.185 -23.457 1.00 1.60 H new ATOM 1329 N VAL A 89 -7.316 -5.532 -23.859 1.00 0.14 N ATOM 1330 CA VAL A 89 -8.358 -6.448 -23.432 1.00 0.15 C ATOM 1331 C VAL A 89 -8.951 -6.005 -22.105 1.00 0.19 C ATOM 1332 O VAL A 89 -8.372 -6.220 -21.044 1.00 0.32 O ATOM 1333 CB VAL A 89 -7.818 -7.888 -23.302 1.00 0.15 C ATOM 1334 CG1 VAL A 89 -8.885 -8.825 -22.759 1.00 0.22 C ATOM 1335 CG2 VAL A 89 -7.306 -8.388 -24.642 1.00 0.14 C ATOM 0 H VAL A 89 -6.383 -5.786 -23.536 1.00 0.14 H new ATOM 0 HA VAL A 89 -9.137 -6.436 -24.195 1.00 0.15 H new ATOM 0 HB VAL A 89 -6.989 -7.874 -22.595 1.00 0.15 H new ATOM 0 HG11 VAL A 89 -8.477 -9.833 -22.678 1.00 0.22 H new ATOM 0 HG12 VAL A 89 -9.204 -8.482 -21.775 1.00 0.22 H new ATOM 0 HG13 VAL A 89 -9.740 -8.833 -23.435 1.00 0.22 H new ATOM 0 HG21 VAL A 89 -6.929 -9.405 -24.531 1.00 0.14 H new ATOM 0 HG22 VAL A 89 -8.119 -8.379 -25.368 1.00 0.14 H new ATOM 0 HG23 VAL A 89 -6.502 -7.739 -24.989 1.00 0.14 H new ATOM 1345 N LEU A 90 -10.105 -5.376 -22.174 1.00 0.11 N ATOM 1346 CA LEU A 90 -10.762 -4.855 -20.985 1.00 0.16 C ATOM 1347 C LEU A 90 -11.947 -5.722 -20.600 1.00 0.11 C ATOM 1348 O LEU A 90 -12.607 -6.298 -21.462 1.00 0.13 O ATOM 1349 CB LEU A 90 -11.237 -3.414 -21.225 1.00 0.26 C ATOM 1350 CG LEU A 90 -10.219 -2.282 -20.981 1.00 0.43 C ATOM 1351 CD1 LEU A 90 -10.114 -1.962 -19.504 1.00 0.99 C ATOM 1352 CD2 LEU A 90 -8.847 -2.631 -21.533 1.00 1.12 C ATOM 0 H LEU A 90 -10.613 -5.211 -23.043 1.00 0.11 H new ATOM 0 HA LEU A 90 -10.039 -4.865 -20.169 1.00 0.16 H new ATOM 0 HB2 LEU A 90 -11.582 -3.340 -22.256 1.00 0.26 H new ATOM 0 HB3 LEU A 90 -12.101 -3.233 -20.586 1.00 0.26 H new ATOM 0 HG LEU A 90 -10.584 -1.402 -21.511 1.00 0.43 H new ATOM 0 HD11 LEU A 90 -9.390 -1.161 -19.356 1.00 0.99 H new ATOM 0 HD12 LEU A 90 -11.088 -1.645 -19.130 1.00 0.99 H new ATOM 0 HD13 LEU A 90 -9.789 -2.850 -18.962 1.00 0.99 H new ATOM 0 HD21 LEU A 90 -8.158 -1.809 -21.342 1.00 1.12 H new ATOM 0 HD22 LEU A 90 -8.478 -3.534 -21.047 1.00 1.12 H new ATOM 0 HD23 LEU A 90 -8.919 -2.801 -22.607 1.00 1.12 H new ATOM 1364 N LYS A 91 -12.209 -5.811 -19.305 1.00 0.16 N ATOM 1365 CA LYS A 91 -13.337 -6.578 -18.808 1.00 0.18 C ATOM 1366 C LYS A 91 -14.641 -5.833 -19.045 1.00 0.18 C ATOM 1367 O LYS A 91 -14.815 -4.704 -18.594 1.00 0.32 O ATOM 1368 CB LYS A 91 -13.164 -6.893 -17.323 1.00 0.27 C ATOM 1369 CG LYS A 91 -12.750 -8.332 -17.056 1.00 0.45 C ATOM 1370 CD LYS A 91 -13.823 -9.305 -17.524 1.00 0.59 C ATOM 1371 CE LYS A 91 -15.078 -9.203 -16.672 1.00 0.71 C ATOM 1372 NZ LYS A 91 -14.928 -9.926 -15.383 1.00 1.33 N ATOM 0 H LYS A 91 -11.653 -5.360 -18.579 1.00 0.16 H new ATOM 0 HA LYS A 91 -13.375 -7.519 -19.357 1.00 0.18 H new ATOM 0 HB2 LYS A 91 -12.415 -6.223 -16.902 1.00 0.27 H new ATOM 0 HB3 LYS A 91 -14.101 -6.690 -16.804 1.00 0.27 H new ATOM 0 HG2 LYS A 91 -11.812 -8.545 -17.569 1.00 0.45 H new ATOM 0 HG3 LYS A 91 -12.569 -8.470 -15.990 1.00 0.45 H new ATOM 0 HD2 LYS A 91 -14.071 -9.101 -18.565 1.00 0.59 H new ATOM 0 HD3 LYS A 91 -13.436 -10.323 -17.482 1.00 0.59 H new ATOM 0 HE2 LYS A 91 -15.301 -8.154 -16.477 1.00 0.71 H new ATOM 0 HE3 LYS A 91 -15.925 -9.612 -17.222 1.00 0.71 H new ATOM 0 HZ1 LYS A 91 -15.854 -9.994 -14.914 1.00 1.33 H new ATOM 0 HZ2 LYS A 91 -14.559 -10.882 -15.562 1.00 1.33 H new ATOM 0 HZ3 LYS A 91 -14.266 -9.409 -14.770 1.00 1.33 H new ATOM 1386 N ILE A 92 -15.549 -6.482 -19.754 1.00 0.16 N ATOM 1387 CA ILE A 92 -16.814 -5.882 -20.131 1.00 0.18 C ATOM 1388 C ILE A 92 -17.968 -6.535 -19.376 1.00 0.27 C ATOM 1389 O ILE A 92 -18.045 -7.761 -19.271 1.00 0.28 O ATOM 1390 CB ILE A 92 -17.032 -6.007 -21.661 1.00 0.16 C ATOM 1391 CG1 ILE A 92 -15.925 -5.249 -22.406 1.00 0.15 C ATOM 1392 CG2 ILE A 92 -18.410 -5.497 -22.067 1.00 0.21 C ATOM 1393 CD1 ILE A 92 -15.968 -3.757 -22.191 1.00 0.16 C ATOM 0 H ILE A 92 -15.428 -7.440 -20.084 1.00 0.16 H new ATOM 0 HA ILE A 92 -16.786 -4.825 -19.865 1.00 0.18 H new ATOM 0 HB ILE A 92 -16.983 -7.061 -21.933 1.00 0.16 H new ATOM 0 HG12 ILE A 92 -14.955 -5.627 -22.082 1.00 0.15 H new ATOM 0 HG13 ILE A 92 -16.008 -5.457 -23.473 1.00 0.15 H new ATOM 0 HG21 ILE A 92 -18.532 -5.598 -23.145 1.00 0.21 H new ATOM 0 HG22 ILE A 92 -19.178 -6.080 -21.559 1.00 0.21 H new ATOM 0 HG23 ILE A 92 -18.506 -4.448 -21.788 1.00 0.21 H new ATOM 0 HD11 ILE A 92 -15.157 -3.286 -22.747 1.00 0.16 H new ATOM 0 HD12 ILE A 92 -16.923 -3.366 -22.541 1.00 0.16 H new ATOM 0 HD13 ILE A 92 -15.854 -3.539 -21.129 1.00 0.16 H new ATOM 1405 N ASN A 93 -18.847 -5.706 -18.834 1.00 0.45 N ATOM 1406 CA ASN A 93 -19.997 -6.195 -18.088 1.00 0.65 C ATOM 1407 C ASN A 93 -21.101 -6.617 -19.046 1.00 0.72 C ATOM 1408 O ASN A 93 -21.610 -5.801 -19.814 1.00 0.80 O ATOM 1409 CB ASN A 93 -20.529 -5.124 -17.122 1.00 0.84 C ATOM 1410 CG ASN A 93 -19.497 -4.688 -16.100 1.00 1.79 C ATOM 1411 OD1 ASN A 93 -19.361 -5.292 -15.040 1.00 2.50 O ATOM 1412 ND2 ASN A 93 -18.777 -3.614 -16.399 1.00 2.57 N ATOM 0 H ASN A 93 -18.786 -4.690 -18.897 1.00 0.45 H new ATOM 0 HA ASN A 93 -19.676 -7.056 -17.502 1.00 0.65 H new ATOM 0 HB2 ASN A 93 -20.856 -4.256 -17.694 1.00 0.84 H new ATOM 0 HB3 ASN A 93 -21.405 -5.513 -16.603 1.00 0.84 H new ATOM 0 HD21 ASN A 93 -18.083 -3.265 -15.738 1.00 2.57 H new ATOM 0 HD22 ASN A 93 -18.918 -3.138 -17.290 1.00 2.57 H new ATOM 1419 N ASP A 94 -21.450 -7.895 -19.012 1.00 0.91 N ATOM 1420 CA ASP A 94 -22.510 -8.425 -19.862 1.00 1.18 C ATOM 1421 C ASP A 94 -23.872 -7.897 -19.417 1.00 1.71 C ATOM 1422 O ASP A 94 -24.498 -7.094 -20.116 1.00 2.21 O ATOM 1423 CB ASP A 94 -22.516 -9.953 -19.821 1.00 1.74 C ATOM 1424 CG ASP A 94 -22.971 -10.495 -18.478 1.00 2.42 C ATOM 1425 OD1 ASP A 94 -22.175 -10.457 -17.516 1.00 3.08 O ATOM 1426 OD2 ASP A 94 -24.119 -10.973 -18.381 1.00 2.81 O ATOM 0 H ASP A 94 -21.014 -8.587 -18.403 1.00 0.91 H new ATOM 0 HA ASP A 94 -22.318 -8.096 -20.883 1.00 1.18 H new ATOM 0 HB2 ASP A 94 -23.173 -10.332 -20.604 1.00 1.74 H new ATOM 0 HB3 ASP A 94 -21.514 -10.323 -20.038 1.00 1.74 H new TER 1431 ASP A 94