USER MOD reduce.3.24.130724 H: found=0, std=0, add=1397, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1400 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: B 3 THR OG1 : rot -120:sc= -1.6 USER MOD Set 1.2: B 7 HIS : no HD1:sc= -1.35! C(o=-3!,f=-8.7!) USER MOD Set 2.1: A 3 THR OG1 : rot -120:sc= -1.68 USER MOD Set 2.2: A 7 HIS : no HD1:sc= -1.54! C(o=-3.2!,f=-8.6!) USER MOD Single : A 1 MET CE :methyl -157:sc= 0 (180deg=-0.384) USER MOD Single : A 1 MET N :NH3+ 149:sc= 1.35 (180deg=0.0521) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN :FLIP amide:sc= -3.22! C(o=-5!,f=-3.2!) USER MOD Single : A 6 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0864) USER MOD Single : A 15 MET CE :methyl -155:sc= -1.44 (180deg=-2.16) USER MOD Single : A 18 LYS NZ :NH3+ 163:sc= -0.0403 (180deg=-0.5) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 132:sc= -0.102 (180deg=-0.71) USER MOD Single : A 33 LYS NZ :NH3+ -164:sc= -0.0226 (180deg=-0.279) USER MOD Single : A 41 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.138) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.404 X(o=-0.4,f=-0.04) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 160:sc= -0.0551 (180deg=-0.504) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 70:sc= 0.722 USER MOD Single : A 67 CYS SG : rot -48:sc= 0.54 USER MOD Single : A 70 ASN : amide:sc= -0.0298 K(o=-0.03,f=-1.6!) USER MOD Single : A 72 LYS NZ :NH3+ -110:sc= -0.191 (180deg=-0.819) USER MOD Single : A 73 GLN : amide:sc= -1.48 K(o=-1.5,f=-6.1!) USER MOD Single : A 74 SER OG : rot -60:sc= 0.169 USER MOD Single : A 77 CYS SG : rot -26:sc= -1.25 USER MOD Single : A 80 CYS SG : rot -140:sc= -0.628 USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl -156:sc= 0 (180deg=-0.402) USER MOD Single : B 1 MET N :NH3+ 155:sc= 1.33 (180deg=0.163) USER MOD Single : B 2 THR OG1 : rot 180:sc= 0 USER MOD Single : B 4 SER OG : rot 180:sc= 0 USER MOD Single : B 5 GLN :FLIP amide:sc= -3.44! C(o=-5.3!,f=-3.4!) USER MOD Single : B 6 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0864) USER MOD Single : B 15 MET CE :methyl -160:sc= -1.35 (180deg=-1.84) USER MOD Single : B 18 LYS NZ :NH3+ 162:sc= -0.0769 (180deg=-0.497) USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ 156:sc= -0.0764 (180deg=-0.663) USER MOD Single : B 33 LYS NZ :NH3+ -163:sc= -0.0035 (180deg=-0.285) USER MOD Single : B 41 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.126) USER MOD Single : B 43 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 GLN : amide:sc= -0.386 X(o=-0.39,f=-0.056) USER MOD Single : B 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 54 LYS NZ :NH3+ 135:sc= -0.0584 (180deg=-0.499) USER MOD Single : B 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 THR OG1 : rot 91:sc= 0.807 USER MOD Single : B 67 CYS SG : rot -21:sc= 0.56 USER MOD Single : B 70 ASN : amide:sc= -0.052 K(o=-0.052,f=-1.6!) USER MOD Single : B 72 LYS NZ :NH3+ -111:sc= -0.125 (180deg=-0.826) USER MOD Single : B 73 GLN : amide:sc= -1.66 K(o=-1.7,f=-6.1!) USER MOD Single : B 74 SER OG : rot -59:sc= 0.191 USER MOD Single : B 77 CYS SG : rot -12:sc= -1.29 USER MOD Single : B 80 CYS SG : rot -140:sc= -0.642 USER MOD Single : B 85 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 124.013 -12.395 12.219 1.00 3.75 N ATOM 2 CA MET A 1 123.368 -11.104 11.849 1.00 3.27 C ATOM 3 C MET A 1 122.021 -11.379 11.181 1.00 2.28 C ATOM 4 O MET A 1 121.730 -12.489 10.781 1.00 2.68 O ATOM 5 CB MET A 1 124.266 -10.341 10.868 1.00 3.76 C ATOM 6 CG MET A 1 125.563 -9.907 11.564 1.00 4.33 C ATOM 7 SD MET A 1 126.738 -11.283 11.556 1.00 5.05 S ATOM 8 CE MET A 1 127.595 -10.858 13.090 1.00 5.68 C ATOM 0 H1 MET A 1 125.047 -12.293 12.170 1.00 3.75 H new ATOM 0 H2 MET A 1 123.736 -12.656 13.187 1.00 3.75 H new ATOM 0 H3 MET A 1 123.707 -13.138 11.559 1.00 3.75 H new ATOM 0 HA MET A 1 123.219 -10.508 12.749 1.00 3.27 H new ATOM 0 HB2 MET A 1 124.499 -10.972 10.010 1.00 3.76 H new ATOM 0 HB3 MET A 1 123.739 -9.466 10.486 1.00 3.76 H new ATOM 0 HG2 MET A 1 125.992 -9.045 11.053 1.00 4.33 H new ATOM 0 HG3 MET A 1 125.354 -9.599 12.588 1.00 4.33 H new ATOM 0 HE1 MET A 1 128.591 -11.302 13.085 1.00 5.68 H new ATOM 0 HE2 MET A 1 127.681 -9.774 13.171 1.00 5.68 H new ATOM 0 HE3 MET A 1 127.031 -11.241 13.940 1.00 5.68 H new ATOM 20 N THR A 2 121.201 -10.372 11.050 1.00 1.63 N ATOM 21 CA THR A 2 119.873 -10.563 10.398 1.00 1.44 C ATOM 22 C THR A 2 120.024 -10.315 8.895 1.00 1.17 C ATOM 23 O THR A 2 119.084 -10.437 8.134 1.00 1.22 O ATOM 24 CB THR A 2 118.874 -9.561 10.993 1.00 2.22 C ATOM 25 OG1 THR A 2 119.071 -9.482 12.398 1.00 2.76 O ATOM 26 CG2 THR A 2 117.443 -10.018 10.703 1.00 3.02 C ATOM 0 H THR A 2 121.394 -9.422 11.367 1.00 1.63 H new ATOM 0 HA THR A 2 119.510 -11.577 10.567 1.00 1.44 H new ATOM 0 HB THR A 2 119.034 -8.581 10.543 1.00 2.22 H new ATOM 0 HG1 THR A 2 118.436 -8.842 12.782 1.00 2.76 H new ATOM 0 HG21 THR A 2 116.739 -9.302 11.128 1.00 3.02 H new ATOM 0 HG22 THR A 2 117.292 -10.079 9.625 1.00 3.02 H new ATOM 0 HG23 THR A 2 117.277 -10.999 11.149 1.00 3.02 H new ATOM 34 N THR A 3 121.209 -9.970 8.466 1.00 0.96 N ATOM 35 CA THR A 3 121.440 -9.712 7.017 1.00 0.75 C ATOM 36 C THR A 3 121.397 -11.031 6.241 1.00 0.69 C ATOM 37 O THR A 3 121.464 -12.103 6.810 1.00 0.74 O ATOM 38 CB THR A 3 122.809 -9.049 6.831 1.00 0.68 C ATOM 39 OG1 THR A 3 123.783 -9.751 7.591 1.00 0.79 O ATOM 40 CG2 THR A 3 122.743 -7.593 7.298 1.00 0.75 C ATOM 0 H THR A 3 122.030 -9.856 9.061 1.00 0.96 H new ATOM 0 HA THR A 3 120.660 -9.051 6.639 1.00 0.75 H new ATOM 0 HB THR A 3 123.084 -9.076 5.777 1.00 0.68 H new ATOM 0 HG1 THR A 3 124.189 -9.143 8.244 1.00 0.79 H new ATOM 0 HG21 THR A 3 123.718 -7.124 7.165 1.00 0.75 H new ATOM 0 HG22 THR A 3 121.998 -7.056 6.711 1.00 0.75 H new ATOM 0 HG23 THR A 3 122.466 -7.561 8.352 1.00 0.75 H new ATOM 48 N SER A 4 121.277 -10.957 4.942 1.00 0.63 N ATOM 49 CA SER A 4 121.217 -12.199 4.116 1.00 0.61 C ATOM 50 C SER A 4 122.518 -12.994 4.269 1.00 0.60 C ATOM 51 O SER A 4 123.482 -12.534 4.848 1.00 0.57 O ATOM 52 CB SER A 4 121.024 -11.815 2.649 1.00 0.63 C ATOM 53 OG SER A 4 122.165 -11.099 2.198 1.00 1.51 O ATOM 0 H SER A 4 121.218 -10.086 4.415 1.00 0.63 H new ATOM 0 HA SER A 4 120.383 -12.816 4.451 1.00 0.61 H new ATOM 0 HB2 SER A 4 120.878 -12.709 2.043 1.00 0.63 H new ATOM 0 HB3 SER A 4 120.129 -11.204 2.536 1.00 0.63 H new ATOM 0 HG SER A 4 122.046 -10.853 1.257 1.00 1.51 H new ATOM 59 N GLN A 5 122.531 -14.202 3.765 1.00 0.63 N ATOM 60 CA GLN A 5 123.741 -15.068 3.881 1.00 0.64 C ATOM 61 C GLN A 5 124.957 -14.391 3.249 1.00 0.60 C ATOM 62 O GLN A 5 126.087 -14.734 3.533 1.00 0.59 O ATOM 63 CB GLN A 5 123.473 -16.415 3.190 1.00 0.71 C ATOM 64 CG GLN A 5 123.142 -16.209 1.702 1.00 1.34 C ATOM 65 CD GLN A 5 121.728 -15.638 1.557 1.00 1.60 C ATOM 66 OE1 GLN A 5 120.782 -16.049 2.358 1.00 2.09 O flip ATOM 67 NE2 GLN A 5 121.480 -14.815 0.699 1.00 2.18 N flip ATOM 0 H GLN A 5 121.746 -14.629 3.273 1.00 0.63 H new ATOM 0 HA GLN A 5 123.954 -15.233 4.937 1.00 0.64 H new ATOM 0 HB2 GLN A 5 124.347 -17.059 3.287 1.00 0.71 H new ATOM 0 HB3 GLN A 5 122.646 -16.924 3.684 1.00 0.71 H new ATOM 0 HG2 GLN A 5 123.866 -15.531 1.250 1.00 1.34 H new ATOM 0 HG3 GLN A 5 123.217 -17.157 1.169 1.00 1.34 H new ATOM 0 HE21 GLN A 5 122.218 -14.493 0.073 1.00 2.18 H new ATOM 0 HE22 GLN A 5 120.534 -14.446 0.605 1.00 2.18 H new ATOM 76 N LYS A 6 124.740 -13.434 2.391 1.00 0.59 N ATOM 77 CA LYS A 6 125.887 -12.742 1.743 1.00 0.57 C ATOM 78 C LYS A 6 126.736 -12.065 2.816 1.00 0.51 C ATOM 79 O LYS A 6 127.947 -12.028 2.729 1.00 0.50 O ATOM 80 CB LYS A 6 125.357 -11.677 0.781 1.00 0.58 C ATOM 81 CG LYS A 6 124.694 -12.350 -0.419 1.00 0.65 C ATOM 82 CD LYS A 6 124.167 -11.277 -1.374 1.00 0.81 C ATOM 83 CE LYS A 6 123.503 -11.948 -2.577 1.00 1.26 C ATOM 84 NZ LYS A 6 124.553 -12.491 -3.482 1.00 2.02 N ATOM 0 H LYS A 6 123.817 -13.101 2.111 1.00 0.59 H new ATOM 0 HA LYS A 6 126.490 -13.467 1.196 1.00 0.57 H new ATOM 0 HB2 LYS A 6 124.639 -11.036 1.293 1.00 0.58 H new ATOM 0 HB3 LYS A 6 126.174 -11.037 0.446 1.00 0.58 H new ATOM 0 HG2 LYS A 6 125.411 -12.990 -0.933 1.00 0.65 H new ATOM 0 HG3 LYS A 6 123.877 -12.990 -0.086 1.00 0.65 H new ATOM 0 HD2 LYS A 6 123.450 -10.637 -0.859 1.00 0.81 H new ATOM 0 HD3 LYS A 6 124.985 -10.637 -1.706 1.00 0.81 H new ATOM 0 HE2 LYS A 6 122.845 -12.750 -2.243 1.00 1.26 H new ATOM 0 HE3 LYS A 6 122.883 -11.229 -3.112 1.00 1.26 H new ATOM 0 HZ1 LYS A 6 124.123 -12.764 -4.389 1.00 2.02 H new ATOM 0 HZ2 LYS A 6 125.278 -11.764 -3.648 1.00 2.02 H new ATOM 0 HZ3 LYS A 6 124.992 -13.325 -3.043 1.00 2.02 H new ATOM 98 N HIS A 7 126.114 -11.508 3.816 1.00 0.49 N ATOM 99 CA HIS A 7 126.893 -10.811 4.873 1.00 0.45 C ATOM 100 C HIS A 7 127.863 -11.780 5.551 1.00 0.45 C ATOM 101 O HIS A 7 129.047 -11.522 5.633 1.00 0.43 O ATOM 102 CB HIS A 7 125.926 -10.230 5.913 1.00 0.45 C ATOM 103 CG HIS A 7 126.690 -9.734 7.115 1.00 0.42 C ATOM 104 ND1 HIS A 7 126.987 -8.392 7.312 1.00 0.38 N ATOM 105 CD2 HIS A 7 127.223 -10.397 8.194 1.00 0.45 C ATOM 106 CE1 HIS A 7 127.669 -8.294 8.471 1.00 0.38 C ATOM 107 NE2 HIS A 7 127.837 -9.486 9.042 1.00 0.42 N ATOM 0 H HIS A 7 125.102 -11.506 3.946 1.00 0.49 H new ATOM 0 HA HIS A 7 127.471 -10.007 4.417 1.00 0.45 H new ATOM 0 HB2 HIS A 7 125.355 -9.412 5.473 1.00 0.45 H new ATOM 0 HB3 HIS A 7 125.208 -10.991 6.218 1.00 0.45 H new ATOM 0 HD2 HIS A 7 127.172 -11.463 8.357 1.00 0.45 H new ATOM 0 HE1 HIS A 7 128.034 -7.365 8.885 1.00 0.38 H new ATOM 0 HE2 HIS A 7 128.317 -9.687 9.919 1.00 0.42 H new ATOM 115 N ARG A 8 127.379 -12.892 6.049 1.00 0.48 N ATOM 116 CA ARG A 8 128.276 -13.864 6.727 1.00 0.50 C ATOM 117 C ARG A 8 129.192 -14.533 5.706 1.00 0.51 C ATOM 118 O ARG A 8 130.340 -14.819 5.983 1.00 0.51 O ATOM 119 CB ARG A 8 127.435 -14.930 7.433 1.00 0.55 C ATOM 120 CG ARG A 8 126.720 -14.305 8.633 1.00 0.57 C ATOM 121 CD ARG A 8 125.901 -15.377 9.353 1.00 1.00 C ATOM 122 NE ARG A 8 124.754 -15.812 8.487 1.00 1.69 N ATOM 123 CZ ARG A 8 123.823 -14.978 8.111 1.00 2.27 C ATOM 124 NH1 ARG A 8 123.774 -13.772 8.608 1.00 2.42 N ATOM 125 NH2 ARG A 8 122.908 -15.368 7.267 1.00 3.21 N ATOM 0 H ARG A 8 126.397 -13.164 6.012 1.00 0.48 H new ATOM 0 HA ARG A 8 128.885 -13.334 7.459 1.00 0.50 H new ATOM 0 HB2 ARG A 8 126.706 -15.350 6.740 1.00 0.55 H new ATOM 0 HB3 ARG A 8 128.072 -15.751 7.763 1.00 0.55 H new ATOM 0 HG2 ARG A 8 127.448 -13.868 9.317 1.00 0.57 H new ATOM 0 HG3 ARG A 8 126.069 -13.496 8.301 1.00 0.57 H new ATOM 0 HD2 ARG A 8 126.534 -16.232 9.590 1.00 1.00 H new ATOM 0 HD3 ARG A 8 125.526 -14.986 10.299 1.00 1.00 H new ATOM 0 HE ARG A 8 124.701 -16.785 8.185 1.00 1.69 H new ATOM 0 HH11 ARG A 8 124.467 -13.475 9.296 1.00 2.42 H new ATOM 0 HH12 ARG A 8 123.043 -13.126 8.309 1.00 2.42 H new ATOM 0 HH21 ARG A 8 122.922 -16.321 6.904 1.00 3.21 H new ATOM 0 HH22 ARG A 8 122.178 -14.720 6.970 1.00 3.21 H new ATOM 139 N ASP A 9 128.700 -14.778 4.526 1.00 0.52 N ATOM 140 CA ASP A 9 129.546 -15.418 3.486 1.00 0.54 C ATOM 141 C ASP A 9 130.620 -14.437 3.019 1.00 0.49 C ATOM 142 O ASP A 9 131.751 -14.805 2.778 1.00 0.49 O ATOM 143 CB ASP A 9 128.682 -15.849 2.300 1.00 0.61 C ATOM 144 CG ASP A 9 127.797 -17.025 2.718 1.00 0.68 C ATOM 145 OD1 ASP A 9 128.117 -17.657 3.713 1.00 0.67 O ATOM 146 OD2 ASP A 9 126.820 -17.280 2.035 1.00 0.76 O ATOM 0 H ASP A 9 127.746 -14.562 4.237 1.00 0.52 H new ATOM 0 HA ASP A 9 130.027 -16.299 3.911 1.00 0.54 H new ATOM 0 HB2 ASP A 9 128.064 -15.016 1.964 1.00 0.61 H new ATOM 0 HB3 ASP A 9 129.315 -16.136 1.460 1.00 0.61 H new ATOM 151 N PHE A 10 130.265 -13.188 2.872 1.00 0.46 N ATOM 152 CA PHE A 10 131.261 -12.187 2.398 1.00 0.43 C ATOM 153 C PHE A 10 132.418 -12.093 3.398 1.00 0.38 C ATOM 154 O PHE A 10 133.573 -12.070 3.020 1.00 0.36 O ATOM 155 CB PHE A 10 130.577 -10.823 2.265 1.00 0.45 C ATOM 156 CG PHE A 10 131.557 -9.815 1.714 1.00 0.43 C ATOM 157 CD1 PHE A 10 131.664 -9.633 0.331 1.00 0.44 C ATOM 158 CD2 PHE A 10 132.354 -9.060 2.583 1.00 0.43 C ATOM 159 CE1 PHE A 10 132.567 -8.698 -0.186 1.00 0.44 C ATOM 160 CE2 PHE A 10 133.258 -8.123 2.066 1.00 0.43 C ATOM 161 CZ PHE A 10 133.364 -7.943 0.683 1.00 0.43 C ATOM 0 H PHE A 10 129.332 -12.820 3.059 1.00 0.46 H new ATOM 0 HA PHE A 10 131.656 -12.494 1.429 1.00 0.43 H new ATOM 0 HB2 PHE A 10 129.712 -10.902 1.606 1.00 0.45 H new ATOM 0 HB3 PHE A 10 130.209 -10.493 3.237 1.00 0.45 H new ATOM 0 HD1 PHE A 10 131.048 -10.215 -0.339 1.00 0.44 H new ATOM 0 HD2 PHE A 10 132.272 -9.200 3.651 1.00 0.43 H new ATOM 0 HE1 PHE A 10 132.649 -8.559 -1.254 1.00 0.44 H new ATOM 0 HE2 PHE A 10 133.873 -7.540 2.735 1.00 0.43 H new ATOM 0 HZ PHE A 10 134.061 -7.221 0.285 1.00 0.43 H new ATOM 171 N VAL A 11 132.124 -12.043 4.670 1.00 0.37 N ATOM 172 CA VAL A 11 133.216 -11.957 5.688 1.00 0.35 C ATOM 173 C VAL A 11 133.754 -13.360 5.984 1.00 0.37 C ATOM 174 O VAL A 11 134.447 -13.573 6.959 1.00 0.38 O ATOM 175 CB VAL A 11 132.663 -11.346 6.976 1.00 0.37 C ATOM 176 CG1 VAL A 11 132.107 -9.949 6.686 1.00 0.44 C ATOM 177 CG2 VAL A 11 131.546 -12.238 7.516 1.00 0.40 C ATOM 0 H VAL A 11 131.177 -12.058 5.049 1.00 0.37 H new ATOM 0 HA VAL A 11 134.022 -11.333 5.302 1.00 0.35 H new ATOM 0 HB VAL A 11 133.461 -11.269 7.715 1.00 0.37 H new ATOM 0 HG11 VAL A 11 131.714 -9.516 7.606 1.00 0.44 H new ATOM 0 HG12 VAL A 11 132.903 -9.314 6.297 1.00 0.44 H new ATOM 0 HG13 VAL A 11 131.308 -10.021 5.948 1.00 0.44 H new ATOM 0 HG21 VAL A 11 131.148 -11.807 8.435 1.00 0.40 H new ATOM 0 HG22 VAL A 11 130.750 -12.312 6.775 1.00 0.40 H new ATOM 0 HG23 VAL A 11 131.942 -13.232 7.724 1.00 0.40 H new ATOM 187 N ALA A 12 133.443 -14.317 5.142 1.00 0.41 N ATOM 188 CA ALA A 12 133.932 -15.719 5.353 1.00 0.48 C ATOM 189 C ALA A 12 134.983 -16.080 4.299 1.00 0.46 C ATOM 190 O ALA A 12 135.678 -17.069 4.421 1.00 0.49 O ATOM 191 CB ALA A 12 132.757 -16.689 5.233 1.00 0.54 C ATOM 0 H ALA A 12 132.867 -14.186 4.311 1.00 0.41 H new ATOM 0 HA ALA A 12 134.379 -15.789 6.345 1.00 0.48 H new ATOM 0 HB1 ALA A 12 133.110 -17.709 5.386 1.00 0.54 H new ATOM 0 HB2 ALA A 12 132.007 -16.448 5.987 1.00 0.54 H new ATOM 0 HB3 ALA A 12 132.314 -16.603 4.241 1.00 0.54 H new ATOM 197 N GLU A 13 135.110 -15.292 3.264 1.00 0.43 N ATOM 198 CA GLU A 13 136.122 -15.607 2.211 1.00 0.43 C ATOM 199 C GLU A 13 136.493 -14.321 1.453 1.00 0.40 C ATOM 200 O GLU A 13 135.682 -13.424 1.335 1.00 0.37 O ATOM 201 CB GLU A 13 135.528 -16.625 1.235 1.00 0.46 C ATOM 202 CG GLU A 13 134.152 -16.143 0.771 1.00 0.48 C ATOM 203 CD GLU A 13 133.658 -17.029 -0.373 1.00 0.61 C ATOM 204 OE1 GLU A 13 134.107 -16.829 -1.489 1.00 1.26 O ATOM 205 OE2 GLU A 13 132.837 -17.895 -0.113 1.00 1.05 O ATOM 0 H GLU A 13 134.560 -14.448 3.102 1.00 0.43 H new ATOM 0 HA GLU A 13 137.018 -16.022 2.674 1.00 0.43 H new ATOM 0 HB2 GLU A 13 136.189 -16.752 0.378 1.00 0.46 H new ATOM 0 HB3 GLU A 13 135.441 -17.599 1.717 1.00 0.46 H new ATOM 0 HG2 GLU A 13 133.445 -16.175 1.600 1.00 0.48 H new ATOM 0 HG3 GLU A 13 134.211 -15.106 0.442 1.00 0.48 H new ATOM 212 N PRO A 14 137.693 -14.225 0.919 1.00 0.42 N ATOM 213 CA PRO A 14 138.122 -13.024 0.147 1.00 0.40 C ATOM 214 C PRO A 14 136.996 -12.496 -0.752 1.00 0.36 C ATOM 215 O PRO A 14 136.099 -13.227 -1.124 1.00 0.36 O ATOM 216 CB PRO A 14 139.289 -13.550 -0.694 1.00 0.45 C ATOM 217 CG PRO A 14 139.905 -14.632 0.141 1.00 0.49 C ATOM 218 CD PRO A 14 138.771 -15.234 0.989 1.00 0.48 C ATOM 0 HA PRO A 14 138.392 -12.186 0.789 1.00 0.40 H new ATOM 0 HB2 PRO A 14 138.943 -13.938 -1.652 1.00 0.45 H new ATOM 0 HB3 PRO A 14 140.008 -12.760 -0.911 1.00 0.45 H new ATOM 0 HG2 PRO A 14 140.363 -15.394 -0.489 1.00 0.49 H new ATOM 0 HG3 PRO A 14 140.693 -14.229 0.778 1.00 0.49 H new ATOM 0 HD2 PRO A 14 138.444 -16.195 0.592 1.00 0.48 H new ATOM 0 HD3 PRO A 14 139.090 -15.406 2.017 1.00 0.48 H new ATOM 226 N MET A 15 137.031 -11.238 -1.113 1.00 0.35 N ATOM 227 CA MET A 15 135.955 -10.688 -1.993 1.00 0.35 C ATOM 228 C MET A 15 136.367 -10.814 -3.463 1.00 0.36 C ATOM 229 O MET A 15 135.545 -10.753 -4.356 1.00 0.39 O ATOM 230 CB MET A 15 135.705 -9.213 -1.662 1.00 0.37 C ATOM 231 CG MET A 15 137.025 -8.441 -1.634 1.00 0.41 C ATOM 232 SD MET A 15 136.670 -6.677 -1.880 1.00 0.57 S ATOM 233 CE MET A 15 136.906 -6.123 -0.173 1.00 0.43 C ATOM 0 H MET A 15 137.753 -10.572 -0.839 1.00 0.35 H new ATOM 0 HA MET A 15 135.040 -11.256 -1.821 1.00 0.35 H new ATOM 0 HB2 MET A 15 135.036 -8.776 -2.404 1.00 0.37 H new ATOM 0 HB3 MET A 15 135.207 -9.130 -0.696 1.00 0.37 H new ATOM 0 HG2 MET A 15 137.533 -8.595 -0.682 1.00 0.41 H new ATOM 0 HG3 MET A 15 137.693 -8.805 -2.415 1.00 0.41 H new ATOM 0 HE1 MET A 15 136.332 -5.212 -0.003 1.00 0.43 H new ATOM 0 HE2 MET A 15 136.566 -6.900 0.512 1.00 0.43 H new ATOM 0 HE3 MET A 15 137.963 -5.923 0.002 1.00 0.43 H new ATOM 243 N GLY A 16 137.636 -10.990 -3.722 1.00 0.37 N ATOM 244 CA GLY A 16 138.104 -11.122 -5.133 1.00 0.40 C ATOM 245 C GLY A 16 137.619 -9.923 -5.953 1.00 0.40 C ATOM 246 O GLY A 16 137.640 -8.797 -5.497 1.00 0.38 O ATOM 0 H GLY A 16 138.370 -11.048 -3.016 1.00 0.37 H new ATOM 0 HA2 GLY A 16 139.192 -11.178 -5.161 1.00 0.40 H new ATOM 0 HA3 GLY A 16 137.726 -12.048 -5.566 1.00 0.40 H new ATOM 250 N GLU A 17 137.204 -10.157 -7.174 1.00 0.41 N ATOM 251 CA GLU A 17 136.735 -9.041 -8.055 1.00 0.42 C ATOM 252 C GLU A 17 135.210 -9.048 -8.139 1.00 0.40 C ATOM 253 O GLU A 17 134.635 -8.664 -9.139 1.00 0.40 O ATOM 254 CB GLU A 17 137.316 -9.230 -9.459 1.00 0.47 C ATOM 255 CG GLU A 17 138.824 -8.973 -9.426 1.00 0.52 C ATOM 256 CD GLU A 17 139.411 -9.183 -10.823 1.00 0.57 C ATOM 257 OE1 GLU A 17 138.659 -9.549 -11.711 1.00 0.76 O ATOM 258 OE2 GLU A 17 140.604 -8.980 -10.980 1.00 0.85 O ATOM 0 H GLU A 17 137.170 -11.082 -7.602 1.00 0.41 H new ATOM 0 HA GLU A 17 137.068 -8.091 -7.638 1.00 0.42 H new ATOM 0 HB2 GLU A 17 137.116 -10.241 -9.814 1.00 0.47 H new ATOM 0 HB3 GLU A 17 136.835 -8.546 -10.158 1.00 0.47 H new ATOM 0 HG2 GLU A 17 139.023 -7.957 -9.086 1.00 0.52 H new ATOM 0 HG3 GLU A 17 139.302 -9.646 -8.715 1.00 0.52 H new ATOM 265 N LYS A 18 134.544 -9.482 -7.104 1.00 0.38 N ATOM 266 CA LYS A 18 133.057 -9.510 -7.148 1.00 0.36 C ATOM 267 C LYS A 18 132.550 -8.075 -7.369 1.00 0.32 C ATOM 268 O LYS A 18 133.176 -7.127 -6.940 1.00 0.31 O ATOM 269 CB LYS A 18 132.518 -10.047 -5.814 1.00 0.36 C ATOM 270 CG LYS A 18 132.941 -11.515 -5.618 1.00 0.45 C ATOM 271 CD LYS A 18 131.940 -12.454 -6.306 1.00 1.17 C ATOM 272 CE LYS A 18 132.422 -13.900 -6.175 1.00 1.44 C ATOM 273 NZ LYS A 18 132.495 -14.271 -4.734 1.00 2.01 N ATOM 0 H LYS A 18 134.963 -9.816 -6.236 1.00 0.38 H new ATOM 0 HA LYS A 18 132.715 -10.156 -7.957 1.00 0.36 H new ATOM 0 HB2 LYS A 18 132.895 -9.440 -4.991 1.00 0.36 H new ATOM 0 HB3 LYS A 18 131.431 -9.969 -5.796 1.00 0.36 H new ATOM 0 HG2 LYS A 18 133.938 -11.671 -6.029 1.00 0.45 H new ATOM 0 HG3 LYS A 18 132.995 -11.746 -4.554 1.00 0.45 H new ATOM 0 HD2 LYS A 18 130.954 -12.346 -5.854 1.00 1.17 H new ATOM 0 HD3 LYS A 18 131.839 -12.187 -7.358 1.00 1.17 H new ATOM 0 HE2 LYS A 18 131.741 -14.570 -6.700 1.00 1.44 H new ATOM 0 HE3 LYS A 18 133.401 -14.012 -6.640 1.00 1.44 H new ATOM 0 HZ1 LYS A 18 132.538 -15.306 -4.644 1.00 2.01 H new ATOM 0 HZ2 LYS A 18 133.347 -13.851 -4.310 1.00 2.01 H new ATOM 0 HZ3 LYS A 18 131.652 -13.915 -4.241 1.00 2.01 H new ATOM 287 N PRO A 19 131.441 -7.907 -8.053 1.00 0.31 N ATOM 288 CA PRO A 19 130.878 -6.551 -8.347 1.00 0.29 C ATOM 289 C PRO A 19 130.464 -5.798 -7.077 1.00 0.25 C ATOM 290 O PRO A 19 130.232 -6.384 -6.038 1.00 0.24 O ATOM 291 CB PRO A 19 129.660 -6.843 -9.246 1.00 0.32 C ATOM 292 CG PRO A 19 129.288 -8.260 -8.944 1.00 0.33 C ATOM 293 CD PRO A 19 130.596 -8.975 -8.618 1.00 0.34 C ATOM 0 HA PRO A 19 131.614 -5.902 -8.822 1.00 0.29 H new ATOM 0 HB2 PRO A 19 128.836 -6.163 -9.028 1.00 0.32 H new ATOM 0 HB3 PRO A 19 129.908 -6.716 -10.300 1.00 0.32 H new ATOM 0 HG2 PRO A 19 128.595 -8.311 -8.104 1.00 0.33 H new ATOM 0 HG3 PRO A 19 128.791 -8.724 -9.796 1.00 0.33 H new ATOM 0 HD2 PRO A 19 130.443 -9.785 -7.905 1.00 0.34 H new ATOM 0 HD3 PRO A 19 131.046 -9.414 -9.508 1.00 0.34 H new ATOM 301 N VAL A 20 130.379 -4.497 -7.159 1.00 0.25 N ATOM 302 CA VAL A 20 129.991 -3.692 -5.967 1.00 0.23 C ATOM 303 C VAL A 20 128.631 -4.159 -5.431 1.00 0.21 C ATOM 304 O VAL A 20 128.460 -4.379 -4.249 1.00 0.23 O ATOM 305 CB VAL A 20 129.937 -2.200 -6.342 1.00 0.27 C ATOM 306 CG1 VAL A 20 129.164 -2.004 -7.647 1.00 0.32 C ATOM 307 CG2 VAL A 20 129.246 -1.408 -5.225 1.00 0.29 C ATOM 0 H VAL A 20 130.563 -3.956 -8.004 1.00 0.25 H new ATOM 0 HA VAL A 20 130.736 -3.832 -5.184 1.00 0.23 H new ATOM 0 HB VAL A 20 130.957 -1.840 -6.473 1.00 0.27 H new ATOM 0 HG11 VAL A 20 129.136 -0.943 -7.897 1.00 0.32 H new ATOM 0 HG12 VAL A 20 129.658 -2.553 -8.449 1.00 0.32 H new ATOM 0 HG13 VAL A 20 128.146 -2.376 -7.527 1.00 0.32 H new ATOM 0 HG21 VAL A 20 129.211 -0.353 -5.496 1.00 0.29 H new ATOM 0 HG22 VAL A 20 128.231 -1.782 -5.088 1.00 0.29 H new ATOM 0 HG23 VAL A 20 129.804 -1.526 -4.296 1.00 0.29 H new ATOM 317 N GLY A 21 127.659 -4.294 -6.296 1.00 0.23 N ATOM 318 CA GLY A 21 126.304 -4.726 -5.848 1.00 0.21 C ATOM 319 C GLY A 21 126.395 -6.032 -5.058 1.00 0.20 C ATOM 320 O GLY A 21 125.410 -6.517 -4.540 1.00 0.19 O ATOM 0 H GLY A 21 127.747 -4.122 -7.298 1.00 0.23 H new ATOM 0 HA2 GLY A 21 125.854 -3.950 -5.229 1.00 0.21 H new ATOM 0 HA3 GLY A 21 125.654 -4.861 -6.713 1.00 0.21 H new ATOM 324 N SER A 22 127.562 -6.607 -4.950 1.00 0.20 N ATOM 325 CA SER A 22 127.692 -7.878 -4.181 1.00 0.20 C ATOM 326 C SER A 22 127.818 -7.553 -2.691 1.00 0.19 C ATOM 327 O SER A 22 127.566 -8.384 -1.841 1.00 0.20 O ATOM 328 CB SER A 22 128.936 -8.634 -4.652 1.00 0.23 C ATOM 329 OG SER A 22 128.867 -9.980 -4.200 1.00 1.24 O ATOM 0 H SER A 22 128.427 -6.254 -5.359 1.00 0.20 H new ATOM 0 HA SER A 22 126.812 -8.500 -4.345 1.00 0.20 H new ATOM 0 HB2 SER A 22 129.002 -8.606 -5.740 1.00 0.23 H new ATOM 0 HB3 SER A 22 129.835 -8.154 -4.266 1.00 0.23 H new ATOM 0 HG SER A 22 129.662 -10.467 -4.501 1.00 1.24 H new ATOM 335 N LEU A 23 128.207 -6.349 -2.369 1.00 0.17 N ATOM 336 CA LEU A 23 128.351 -5.967 -0.935 1.00 0.18 C ATOM 337 C LEU A 23 126.981 -5.994 -0.253 1.00 0.18 C ATOM 338 O LEU A 23 125.982 -5.585 -0.811 1.00 0.17 O ATOM 339 CB LEU A 23 128.938 -4.558 -0.830 1.00 0.18 C ATOM 340 CG LEU A 23 130.392 -4.548 -1.326 1.00 0.21 C ATOM 341 CD1 LEU A 23 130.885 -3.099 -1.392 1.00 0.23 C ATOM 342 CD2 LEU A 23 131.293 -5.361 -0.373 1.00 0.24 C ATOM 0 H LEU A 23 128.432 -5.613 -3.038 1.00 0.17 H new ATOM 0 HA LEU A 23 129.017 -6.676 -0.444 1.00 0.18 H new ATOM 0 HB2 LEU A 23 128.341 -3.863 -1.420 1.00 0.18 H new ATOM 0 HB3 LEU A 23 128.897 -4.216 0.204 1.00 0.18 H new ATOM 0 HG LEU A 23 130.437 -5.003 -2.316 1.00 0.21 H new ATOM 0 HD11 LEU A 23 131.917 -3.081 -1.743 1.00 0.23 H new ATOM 0 HD12 LEU A 23 130.258 -2.532 -2.080 1.00 0.23 H new ATOM 0 HD13 LEU A 23 130.832 -2.651 -0.400 1.00 0.23 H new ATOM 0 HD21 LEU A 23 132.319 -5.343 -0.739 1.00 0.24 H new ATOM 0 HD22 LEU A 23 131.256 -4.923 0.624 1.00 0.24 H new ATOM 0 HD23 LEU A 23 130.941 -6.392 -0.330 1.00 0.24 H new ATOM 354 N ALA A 24 126.941 -6.474 0.953 1.00 0.18 N ATOM 355 CA ALA A 24 125.647 -6.535 1.690 1.00 0.19 C ATOM 356 C ALA A 24 125.122 -5.119 1.961 1.00 0.20 C ATOM 357 O ALA A 24 125.839 -4.244 2.405 1.00 0.20 O ATOM 358 CB ALA A 24 125.852 -7.260 3.020 1.00 0.21 C ATOM 0 H ALA A 24 127.749 -6.829 1.465 1.00 0.18 H new ATOM 0 HA ALA A 24 124.920 -7.074 1.082 1.00 0.19 H new ATOM 0 HB1 ALA A 24 124.906 -7.305 3.560 1.00 0.21 H new ATOM 0 HB2 ALA A 24 126.211 -8.272 2.831 1.00 0.21 H new ATOM 0 HB3 ALA A 24 126.586 -6.721 3.619 1.00 0.21 H new ATOM 364 N GLY A 25 123.862 -4.904 1.690 1.00 0.20 N ATOM 365 CA GLY A 25 123.246 -3.556 1.920 1.00 0.21 C ATOM 366 C GLY A 25 123.138 -2.801 0.593 1.00 0.21 C ATOM 367 O GLY A 25 122.355 -1.882 0.457 1.00 0.22 O ATOM 0 H GLY A 25 123.225 -5.608 1.316 1.00 0.20 H new ATOM 0 HA2 GLY A 25 122.258 -3.669 2.366 1.00 0.21 H new ATOM 0 HA3 GLY A 25 123.850 -2.986 2.625 1.00 0.21 H new ATOM 371 N ILE A 26 123.907 -3.187 -0.393 1.00 0.20 N ATOM 372 CA ILE A 26 123.841 -2.500 -1.721 1.00 0.21 C ATOM 373 C ILE A 26 122.994 -3.361 -2.657 1.00 0.23 C ATOM 374 O ILE A 26 123.352 -4.481 -2.962 1.00 0.25 O ATOM 375 CB ILE A 26 125.252 -2.356 -2.295 1.00 0.22 C ATOM 376 CG1 ILE A 26 126.171 -1.698 -1.255 1.00 0.22 C ATOM 377 CG2 ILE A 26 125.209 -1.497 -3.561 1.00 0.25 C ATOM 378 CD1 ILE A 26 125.566 -0.376 -0.763 1.00 0.24 C ATOM 0 H ILE A 26 124.580 -3.951 -0.336 1.00 0.20 H new ATOM 0 HA ILE A 26 123.401 -1.509 -1.614 1.00 0.21 H new ATOM 0 HB ILE A 26 125.640 -3.344 -2.543 1.00 0.22 H new ATOM 0 HG12 ILE A 26 126.318 -2.373 -0.412 1.00 0.22 H new ATOM 0 HG13 ILE A 26 127.153 -1.515 -1.692 1.00 0.22 H new ATOM 0 HG21 ILE A 26 126.216 -1.397 -3.967 1.00 0.25 H new ATOM 0 HG22 ILE A 26 124.565 -1.972 -4.301 1.00 0.25 H new ATOM 0 HG23 ILE A 26 124.816 -0.510 -3.318 1.00 0.25 H new ATOM 0 HD11 ILE A 26 126.230 0.076 -0.027 1.00 0.24 H new ATOM 0 HD12 ILE A 26 125.442 0.304 -1.606 1.00 0.24 H new ATOM 0 HD13 ILE A 26 124.595 -0.568 -0.306 1.00 0.24 H new ATOM 390 N GLY A 27 121.877 -2.865 -3.124 1.00 0.24 N ATOM 391 CA GLY A 27 121.026 -3.681 -4.041 1.00 0.28 C ATOM 392 C GLY A 27 121.388 -3.370 -5.495 1.00 0.28 C ATOM 393 O GLY A 27 122.229 -2.536 -5.773 1.00 0.27 O ATOM 0 H GLY A 27 121.519 -1.934 -2.911 1.00 0.24 H new ATOM 0 HA2 GLY A 27 121.171 -4.742 -3.839 1.00 0.28 H new ATOM 0 HA3 GLY A 27 119.973 -3.464 -3.864 1.00 0.28 H new ATOM 397 N GLU A 28 120.768 -4.044 -6.423 1.00 0.30 N ATOM 398 CA GLU A 28 121.088 -3.797 -7.857 1.00 0.32 C ATOM 399 C GLU A 28 120.845 -2.323 -8.199 1.00 0.32 C ATOM 400 O GLU A 28 121.602 -1.717 -8.929 1.00 0.34 O ATOM 401 CB GLU A 28 120.207 -4.679 -8.744 1.00 0.36 C ATOM 402 CG GLU A 28 120.635 -6.140 -8.598 1.00 0.39 C ATOM 403 CD GLU A 28 119.753 -7.019 -9.487 1.00 1.28 C ATOM 404 OE1 GLU A 28 118.775 -6.507 -10.007 1.00 2.01 O ATOM 405 OE2 GLU A 28 120.069 -8.189 -9.632 1.00 1.65 O ATOM 0 H GLU A 28 120.055 -4.753 -6.252 1.00 0.30 H new ATOM 0 HA GLU A 28 122.136 -4.039 -8.033 1.00 0.32 H new ATOM 0 HB2 GLU A 28 119.160 -4.566 -8.462 1.00 0.36 H new ATOM 0 HB3 GLU A 28 120.292 -4.366 -9.785 1.00 0.36 H new ATOM 0 HG2 GLU A 28 121.682 -6.254 -8.879 1.00 0.39 H new ATOM 0 HG3 GLU A 28 120.549 -6.454 -7.558 1.00 0.39 H new ATOM 412 N VAL A 29 119.795 -1.740 -7.687 1.00 0.31 N ATOM 413 CA VAL A 29 119.520 -0.309 -8.001 1.00 0.33 C ATOM 414 C VAL A 29 120.638 0.556 -7.415 1.00 0.33 C ATOM 415 O VAL A 29 121.180 1.424 -8.072 1.00 0.35 O ATOM 416 CB VAL A 29 118.175 0.098 -7.384 1.00 0.34 C ATOM 417 CG1 VAL A 29 117.989 1.614 -7.489 1.00 0.38 C ATOM 418 CG2 VAL A 29 117.037 -0.606 -8.129 1.00 0.35 C ATOM 0 H VAL A 29 119.120 -2.189 -7.069 1.00 0.31 H new ATOM 0 HA VAL A 29 119.478 -0.168 -9.081 1.00 0.33 H new ATOM 0 HB VAL A 29 118.162 -0.193 -6.334 1.00 0.34 H new ATOM 0 HG11 VAL A 29 117.032 1.895 -7.049 1.00 0.38 H new ATOM 0 HG12 VAL A 29 118.795 2.117 -6.955 1.00 0.38 H new ATOM 0 HG13 VAL A 29 118.007 1.911 -8.538 1.00 0.38 H new ATOM 0 HG21 VAL A 29 116.082 -0.317 -7.691 1.00 0.35 H new ATOM 0 HG22 VAL A 29 117.056 -0.317 -9.180 1.00 0.35 H new ATOM 0 HG23 VAL A 29 117.162 -1.686 -8.047 1.00 0.35 H new ATOM 428 N LEU A 30 120.985 0.323 -6.181 1.00 0.32 N ATOM 429 CA LEU A 30 122.062 1.124 -5.538 1.00 0.32 C ATOM 430 C LEU A 30 123.386 0.852 -6.244 1.00 0.32 C ATOM 431 O LEU A 30 124.189 1.738 -6.452 1.00 0.33 O ATOM 432 CB LEU A 30 122.194 0.720 -4.069 1.00 0.32 C ATOM 433 CG LEU A 30 120.930 1.115 -3.296 1.00 0.35 C ATOM 434 CD1 LEU A 30 121.005 0.521 -1.887 1.00 0.36 C ATOM 435 CD2 LEU A 30 120.807 2.650 -3.208 1.00 0.40 C ATOM 0 H LEU A 30 120.566 -0.392 -5.587 1.00 0.32 H new ATOM 0 HA LEU A 30 121.813 2.183 -5.609 1.00 0.32 H new ATOM 0 HB2 LEU A 30 122.354 -0.355 -3.993 1.00 0.32 H new ATOM 0 HB3 LEU A 30 123.065 1.204 -3.628 1.00 0.32 H new ATOM 0 HG LEU A 30 120.054 0.729 -3.818 1.00 0.35 H new ATOM 0 HD11 LEU A 30 120.110 0.796 -1.328 1.00 0.36 H new ATOM 0 HD12 LEU A 30 121.072 -0.565 -1.953 1.00 0.36 H new ATOM 0 HD13 LEU A 30 121.886 0.908 -1.375 1.00 0.36 H new ATOM 0 HD21 LEU A 30 119.904 2.912 -2.656 1.00 0.40 H new ATOM 0 HD22 LEU A 30 121.678 3.056 -2.693 1.00 0.40 H new ATOM 0 HD23 LEU A 30 120.752 3.069 -4.213 1.00 0.40 H new ATOM 447 N GLY A 31 123.617 -0.375 -6.607 1.00 0.33 N ATOM 448 CA GLY A 31 124.887 -0.719 -7.292 1.00 0.34 C ATOM 449 C GLY A 31 125.010 0.071 -8.596 1.00 0.35 C ATOM 450 O GLY A 31 126.068 0.544 -8.942 1.00 0.35 O ATOM 0 H GLY A 31 122.978 -1.156 -6.458 1.00 0.33 H new ATOM 0 HA2 GLY A 31 125.732 -0.496 -6.641 1.00 0.34 H new ATOM 0 HA3 GLY A 31 124.919 -1.788 -7.501 1.00 0.34 H new ATOM 454 N LYS A 32 123.941 0.215 -9.331 1.00 0.35 N ATOM 455 CA LYS A 32 124.029 0.962 -10.619 1.00 0.37 C ATOM 456 C LYS A 32 124.486 2.401 -10.374 1.00 0.36 C ATOM 457 O LYS A 32 125.261 2.946 -11.135 1.00 0.38 O ATOM 458 CB LYS A 32 122.652 0.980 -11.290 1.00 0.39 C ATOM 459 CG LYS A 32 122.758 1.639 -12.669 1.00 1.18 C ATOM 460 CD LYS A 32 121.382 1.655 -13.335 1.00 1.37 C ATOM 461 CE LYS A 32 121.512 2.196 -14.761 1.00 2.06 C ATOM 462 NZ LYS A 32 122.335 1.255 -15.572 1.00 2.74 N ATOM 0 H LYS A 32 123.017 -0.149 -9.098 1.00 0.35 H new ATOM 0 HA LYS A 32 124.754 0.465 -11.263 1.00 0.37 H new ATOM 0 HB2 LYS A 32 122.272 -0.037 -11.390 1.00 0.39 H new ATOM 0 HB3 LYS A 32 121.941 1.526 -10.669 1.00 0.39 H new ATOM 0 HG2 LYS A 32 123.137 2.656 -12.569 1.00 1.18 H new ATOM 0 HG3 LYS A 32 123.468 1.094 -13.291 1.00 1.18 H new ATOM 0 HD2 LYS A 32 120.963 0.649 -13.353 1.00 1.37 H new ATOM 0 HD3 LYS A 32 120.695 2.276 -12.760 1.00 1.37 H new ATOM 0 HE2 LYS A 32 120.525 2.313 -15.209 1.00 2.06 H new ATOM 0 HE3 LYS A 32 121.975 3.183 -14.747 1.00 2.06 H new ATOM 0 HZ1 LYS A 32 121.856 1.065 -16.475 1.00 2.74 H new ATOM 0 HZ2 LYS A 32 123.267 1.679 -15.756 1.00 2.74 H new ATOM 0 HZ3 LYS A 32 122.457 0.363 -15.051 1.00 2.74 H new ATOM 476 N LYS A 33 124.012 3.030 -9.342 1.00 0.35 N ATOM 477 CA LYS A 33 124.434 4.437 -9.104 1.00 0.36 C ATOM 478 C LYS A 33 125.923 4.478 -8.747 1.00 0.34 C ATOM 479 O LYS A 33 126.667 5.281 -9.270 1.00 0.36 O ATOM 480 CB LYS A 33 123.607 5.020 -7.958 1.00 0.36 C ATOM 481 CG LYS A 33 122.164 5.203 -8.433 1.00 0.39 C ATOM 482 CD LYS A 33 121.315 5.785 -7.302 1.00 0.64 C ATOM 483 CE LYS A 33 119.874 5.964 -7.788 1.00 0.65 C ATOM 484 NZ LYS A 33 119.817 7.057 -8.800 1.00 1.54 N ATOM 0 H LYS A 33 123.360 2.641 -8.660 1.00 0.35 H new ATOM 0 HA LYS A 33 124.272 5.026 -10.006 1.00 0.36 H new ATOM 0 HB2 LYS A 33 123.638 4.356 -7.094 1.00 0.36 H new ATOM 0 HB3 LYS A 33 124.024 5.976 -7.640 1.00 0.36 H new ATOM 0 HG2 LYS A 33 122.138 5.866 -9.298 1.00 0.39 H new ATOM 0 HG3 LYS A 33 121.753 4.246 -8.753 1.00 0.39 H new ATOM 0 HD2 LYS A 33 121.339 5.123 -6.437 1.00 0.64 H new ATOM 0 HD3 LYS A 33 121.724 6.743 -6.981 1.00 0.64 H new ATOM 0 HE2 LYS A 33 119.508 5.034 -8.223 1.00 0.65 H new ATOM 0 HE3 LYS A 33 119.223 6.200 -6.946 1.00 0.65 H new ATOM 0 HZ1 LYS A 33 118.831 7.361 -8.927 1.00 1.54 H new ATOM 0 HZ2 LYS A 33 120.388 7.862 -8.474 1.00 1.54 H new ATOM 0 HZ3 LYS A 33 120.192 6.711 -9.706 1.00 1.54 H new ATOM 498 N LEU A 34 126.372 3.621 -7.872 1.00 0.32 N ATOM 499 CA LEU A 34 127.820 3.628 -7.507 1.00 0.31 C ATOM 500 C LEU A 34 128.673 3.289 -8.741 1.00 0.31 C ATOM 501 O LEU A 34 129.711 3.880 -8.968 1.00 0.33 O ATOM 502 CB LEU A 34 128.065 2.607 -6.388 1.00 0.29 C ATOM 503 CG LEU A 34 127.346 3.057 -5.104 1.00 0.30 C ATOM 504 CD1 LEU A 34 127.343 1.901 -4.096 1.00 0.30 C ATOM 505 CD2 LEU A 34 128.061 4.275 -4.481 1.00 0.34 C ATOM 0 H LEU A 34 125.805 2.920 -7.396 1.00 0.32 H new ATOM 0 HA LEU A 34 128.104 4.619 -7.154 1.00 0.31 H new ATOM 0 HB2 LEU A 34 127.703 1.625 -6.693 1.00 0.29 H new ATOM 0 HB3 LEU A 34 129.134 2.508 -6.201 1.00 0.29 H new ATOM 0 HG LEU A 34 126.323 3.340 -5.353 1.00 0.30 H new ATOM 0 HD11 LEU A 34 126.835 2.215 -3.184 1.00 0.30 H new ATOM 0 HD12 LEU A 34 126.823 1.045 -4.526 1.00 0.30 H new ATOM 0 HD13 LEU A 34 128.370 1.621 -3.861 1.00 0.30 H new ATOM 0 HD21 LEU A 34 127.538 4.579 -3.574 1.00 0.34 H new ATOM 0 HD22 LEU A 34 129.089 4.007 -4.235 1.00 0.34 H new ATOM 0 HD23 LEU A 34 128.062 5.100 -5.193 1.00 0.34 H new ATOM 517 N GLU A 35 128.247 2.342 -9.534 1.00 0.32 N ATOM 518 CA GLU A 35 129.057 1.984 -10.743 1.00 0.34 C ATOM 519 C GLU A 35 129.184 3.208 -11.649 1.00 0.37 C ATOM 520 O GLU A 35 130.231 3.479 -12.202 1.00 0.39 O ATOM 521 CB GLU A 35 128.386 0.850 -11.525 1.00 0.35 C ATOM 522 CG GLU A 35 128.475 -0.458 -10.738 1.00 0.93 C ATOM 523 CD GLU A 35 127.801 -1.577 -11.533 1.00 1.02 C ATOM 524 OE1 GLU A 35 127.157 -1.268 -12.522 1.00 1.36 O ATOM 525 OE2 GLU A 35 127.942 -2.723 -11.140 1.00 1.67 O ATOM 0 H GLU A 35 127.389 1.807 -9.404 1.00 0.32 H new ATOM 0 HA GLU A 35 130.043 1.654 -10.416 1.00 0.34 H new ATOM 0 HB2 GLU A 35 127.342 1.098 -11.716 1.00 0.35 H new ATOM 0 HB3 GLU A 35 128.868 0.733 -12.496 1.00 0.35 H new ATOM 0 HG2 GLU A 35 129.518 -0.710 -10.547 1.00 0.93 H new ATOM 0 HG3 GLU A 35 127.992 -0.345 -9.767 1.00 0.93 H new ATOM 532 N GLU A 36 128.126 3.954 -11.797 1.00 0.39 N ATOM 533 CA GLU A 36 128.178 5.167 -12.659 1.00 0.43 C ATOM 534 C GLU A 36 129.113 6.186 -12.012 1.00 0.45 C ATOM 535 O GLU A 36 129.598 7.099 -12.651 1.00 0.49 O ATOM 536 CB GLU A 36 126.774 5.763 -12.795 1.00 0.45 C ATOM 537 CG GLU A 36 126.828 6.998 -13.697 1.00 1.12 C ATOM 538 CD GLU A 36 125.412 7.524 -13.934 1.00 1.39 C ATOM 539 OE1 GLU A 36 124.478 6.883 -13.480 1.00 1.86 O ATOM 540 OE2 GLU A 36 125.284 8.557 -14.569 1.00 2.00 O ATOM 0 H GLU A 36 127.224 3.775 -11.356 1.00 0.39 H new ATOM 0 HA GLU A 36 128.546 4.904 -13.651 1.00 0.43 H new ATOM 0 HB2 GLU A 36 126.092 5.023 -13.214 1.00 0.45 H new ATOM 0 HB3 GLU A 36 126.386 6.034 -11.813 1.00 0.45 H new ATOM 0 HG2 GLU A 36 127.441 7.772 -13.235 1.00 1.12 H new ATOM 0 HG3 GLU A 36 127.297 6.746 -14.648 1.00 1.12 H new ATOM 547 N ARG A 37 129.359 6.039 -10.741 1.00 0.42 N ATOM 548 CA ARG A 37 130.254 7.005 -10.038 1.00 0.45 C ATOM 549 C ARG A 37 131.707 6.516 -10.079 1.00 0.42 C ATOM 550 O ARG A 37 132.586 7.134 -9.511 1.00 0.43 O ATOM 551 CB ARG A 37 129.801 7.169 -8.587 1.00 0.45 C ATOM 552 CG ARG A 37 128.469 7.927 -8.556 1.00 0.53 C ATOM 553 CD ARG A 37 128.064 8.163 -7.104 1.00 0.86 C ATOM 554 NE ARG A 37 126.619 8.571 -7.030 1.00 1.42 N ATOM 555 CZ ARG A 37 126.166 9.619 -7.668 1.00 1.88 C ATOM 556 NH1 ARG A 37 126.985 10.439 -8.263 1.00 2.15 N ATOM 557 NH2 ARG A 37 124.885 9.872 -7.664 1.00 2.69 N ATOM 0 H ARG A 37 128.981 5.293 -10.157 1.00 0.42 H new ATOM 0 HA ARG A 37 130.196 7.968 -10.544 1.00 0.45 H new ATOM 0 HB2 ARG A 37 129.688 6.192 -8.116 1.00 0.45 H new ATOM 0 HB3 ARG A 37 130.555 7.712 -8.017 1.00 0.45 H new ATOM 0 HG2 ARG A 37 128.565 8.878 -9.079 1.00 0.53 H new ATOM 0 HG3 ARG A 37 127.699 7.355 -9.073 1.00 0.53 H new ATOM 0 HD2 ARG A 37 128.224 7.256 -6.522 1.00 0.86 H new ATOM 0 HD3 ARG A 37 128.692 8.938 -6.665 1.00 0.86 H new ATOM 0 HE ARG A 37 125.975 8.016 -6.467 1.00 1.42 H new ATOM 0 HH11 ARG A 37 127.990 10.267 -8.234 1.00 2.15 H new ATOM 0 HH12 ARG A 37 126.621 11.253 -8.758 1.00 2.15 H new ATOM 0 HH21 ARG A 37 124.245 9.254 -7.165 1.00 2.69 H new ATOM 0 HH22 ARG A 37 124.525 10.688 -8.159 1.00 2.69 H new ATOM 571 N GLY A 38 131.980 5.441 -10.784 1.00 0.40 N ATOM 572 CA GLY A 38 133.395 4.952 -10.901 1.00 0.39 C ATOM 573 C GLY A 38 133.673 3.767 -9.972 1.00 0.37 C ATOM 574 O GLY A 38 134.801 3.331 -9.857 1.00 0.48 O ATOM 0 H GLY A 38 131.287 4.882 -11.282 1.00 0.40 H new ATOM 0 HA2 GLY A 38 133.593 4.658 -11.932 1.00 0.39 H new ATOM 0 HA3 GLY A 38 134.080 5.766 -10.665 1.00 0.39 H new ATOM 578 N PHE A 39 132.678 3.221 -9.320 1.00 0.31 N ATOM 579 CA PHE A 39 132.921 2.048 -8.418 1.00 0.28 C ATOM 580 C PHE A 39 132.469 0.774 -9.141 1.00 0.28 C ATOM 581 O PHE A 39 131.440 0.205 -8.831 1.00 0.28 O ATOM 582 CB PHE A 39 132.084 2.211 -7.147 1.00 0.27 C ATOM 583 CG PHE A 39 132.605 3.364 -6.323 1.00 0.28 C ATOM 584 CD1 PHE A 39 132.165 4.665 -6.587 1.00 0.31 C ATOM 585 CD2 PHE A 39 133.516 3.132 -5.286 1.00 0.28 C ATOM 586 CE1 PHE A 39 132.637 5.736 -5.817 1.00 0.33 C ATOM 587 CE2 PHE A 39 133.989 4.201 -4.516 1.00 0.30 C ATOM 588 CZ PHE A 39 133.550 5.504 -4.782 1.00 0.32 C ATOM 0 H PHE A 39 131.709 3.534 -9.371 1.00 0.31 H new ATOM 0 HA PHE A 39 133.979 1.987 -8.162 1.00 0.28 H new ATOM 0 HB2 PHE A 39 131.041 2.385 -7.410 1.00 0.27 H new ATOM 0 HB3 PHE A 39 132.116 1.292 -6.561 1.00 0.27 H new ATOM 0 HD1 PHE A 39 131.460 4.844 -7.386 1.00 0.31 H new ATOM 0 HD2 PHE A 39 133.854 2.127 -5.080 1.00 0.28 H new ATOM 0 HE1 PHE A 39 132.296 6.740 -6.022 1.00 0.33 H new ATOM 0 HE2 PHE A 39 134.693 4.021 -3.717 1.00 0.30 H new ATOM 0 HZ PHE A 39 133.916 6.329 -4.189 1.00 0.32 H new ATOM 598 N ASP A 40 133.213 0.339 -10.126 1.00 0.30 N ATOM 599 CA ASP A 40 132.804 -0.876 -10.889 1.00 0.31 C ATOM 600 C ASP A 40 133.128 -2.148 -10.096 1.00 0.29 C ATOM 601 O ASP A 40 132.679 -3.224 -10.438 1.00 0.30 O ATOM 602 CB ASP A 40 133.557 -0.907 -12.222 1.00 0.35 C ATOM 603 CG ASP A 40 135.063 -0.991 -11.958 1.00 0.37 C ATOM 604 OD1 ASP A 40 135.464 -0.723 -10.838 1.00 0.37 O ATOM 605 OD2 ASP A 40 135.788 -1.320 -12.883 1.00 0.41 O ATOM 0 H ASP A 40 134.084 0.772 -10.433 1.00 0.30 H new ATOM 0 HA ASP A 40 131.729 -0.837 -11.063 1.00 0.31 H new ATOM 0 HB2 ASP A 40 133.233 -1.762 -12.815 1.00 0.35 H new ATOM 0 HB3 ASP A 40 133.328 -0.013 -12.802 1.00 0.35 H new ATOM 610 N LYS A 41 133.908 -2.039 -9.045 1.00 0.28 N ATOM 611 CA LYS A 41 134.268 -3.251 -8.231 1.00 0.28 C ATOM 612 C LYS A 41 134.066 -2.943 -6.739 1.00 0.23 C ATOM 613 O LYS A 41 134.106 -1.806 -6.318 1.00 0.23 O ATOM 614 CB LYS A 41 135.734 -3.622 -8.498 1.00 0.34 C ATOM 615 CG LYS A 41 135.942 -3.937 -9.993 1.00 0.48 C ATOM 616 CD LYS A 41 135.393 -5.330 -10.333 1.00 0.74 C ATOM 617 CE LYS A 41 135.822 -5.716 -11.750 1.00 0.71 C ATOM 618 NZ LYS A 41 135.141 -4.826 -12.734 1.00 1.56 N ATOM 0 H LYS A 41 134.312 -1.163 -8.714 1.00 0.28 H new ATOM 0 HA LYS A 41 133.629 -4.088 -8.511 1.00 0.28 H new ATOM 0 HB2 LYS A 41 136.385 -2.800 -8.198 1.00 0.34 H new ATOM 0 HB3 LYS A 41 136.013 -4.486 -7.895 1.00 0.34 H new ATOM 0 HG2 LYS A 41 135.441 -3.184 -10.602 1.00 0.48 H new ATOM 0 HG3 LYS A 41 137.003 -3.889 -10.236 1.00 0.48 H new ATOM 0 HD2 LYS A 41 135.764 -6.063 -9.617 1.00 0.74 H new ATOM 0 HD3 LYS A 41 134.306 -5.332 -10.258 1.00 0.74 H new ATOM 0 HE2 LYS A 41 136.904 -5.628 -11.851 1.00 0.71 H new ATOM 0 HE3 LYS A 41 135.567 -6.757 -11.948 1.00 0.71 H new ATOM 0 HZ1 LYS A 41 135.309 -5.180 -13.697 1.00 1.56 H new ATOM 0 HZ2 LYS A 41 134.119 -4.815 -12.543 1.00 1.56 H new ATOM 0 HZ3 LYS A 41 135.519 -3.861 -12.649 1.00 1.56 H new ATOM 632 CA ALA A 42 133.581 -3.737 -4.480 1.00 0.20 C ATOM 633 C ALA A 42 134.836 -3.210 -3.771 1.00 0.18 C ATOM 634 O ALA A 42 134.751 -2.362 -2.906 1.00 0.18 O ATOM 635 CB ALA A 42 133.165 -5.059 -3.831 1.00 0.21 C ATOM 641 N TYR A 43 135.992 -3.719 -4.092 1.00 0.19 N ATOM 642 CA TYR A 43 137.224 -3.252 -3.387 1.00 0.18 C ATOM 643 C TYR A 43 137.365 -1.733 -3.505 1.00 0.17 C ATOM 644 O TYR A 43 138.083 -1.113 -2.746 1.00 0.17 O ATOM 645 CB TYR A 43 138.473 -3.944 -3.945 1.00 0.20 C ATOM 646 CG TYR A 43 138.702 -3.555 -5.381 1.00 0.21 C ATOM 647 CD1 TYR A 43 139.281 -2.317 -5.684 1.00 0.21 C ATOM 648 CD2 TYR A 43 138.355 -4.437 -6.409 1.00 0.24 C ATOM 649 CE1 TYR A 43 139.513 -1.961 -7.014 1.00 0.25 C ATOM 650 CE2 TYR A 43 138.585 -4.081 -7.741 1.00 0.28 C ATOM 651 CZ TYR A 43 139.165 -2.842 -8.045 1.00 0.28 C ATOM 652 OH TYR A 43 139.393 -2.491 -9.360 1.00 0.32 O ATOM 0 H TYR A 43 136.140 -4.433 -4.806 1.00 0.19 H new ATOM 0 HA TYR A 43 137.129 -3.516 -2.334 1.00 0.18 H new ATOM 0 HB2 TYR A 43 139.343 -3.673 -3.347 1.00 0.20 H new ATOM 0 HB3 TYR A 43 138.359 -5.025 -3.870 1.00 0.20 H new ATOM 0 HD1 TYR A 43 139.548 -1.637 -4.889 1.00 0.21 H new ATOM 0 HD2 TYR A 43 137.910 -5.392 -6.174 1.00 0.24 H new ATOM 0 HE1 TYR A 43 139.961 -1.006 -7.247 1.00 0.25 H new ATOM 0 HE2 TYR A 43 138.316 -4.761 -8.536 1.00 0.28 H new ATOM 0 HH TYR A 43 139.095 -3.216 -9.948 1.00 0.32 H new ATOM 662 N VAL A 44 136.675 -1.120 -4.426 1.00 0.18 N ATOM 663 CA VAL A 44 136.769 0.364 -4.551 1.00 0.18 C ATOM 664 C VAL A 44 135.881 0.984 -3.466 1.00 0.17 C ATOM 665 O VAL A 44 136.163 2.035 -2.921 1.00 0.18 O ATOM 666 CB VAL A 44 136.281 0.796 -5.939 1.00 0.20 C ATOM 667 CG1 VAL A 44 136.452 2.311 -6.114 1.00 0.22 C ATOM 668 CG2 VAL A 44 137.097 0.071 -7.010 1.00 0.24 C ATOM 0 H VAL A 44 136.054 -1.577 -5.094 1.00 0.18 H new ATOM 0 HA VAL A 44 137.800 0.695 -4.429 1.00 0.18 H new ATOM 0 HB VAL A 44 135.226 0.542 -6.038 1.00 0.20 H new ATOM 0 HG11 VAL A 44 136.102 2.605 -7.104 1.00 0.22 H new ATOM 0 HG12 VAL A 44 135.871 2.833 -5.354 1.00 0.22 H new ATOM 0 HG13 VAL A 44 137.505 2.573 -6.009 1.00 0.22 H new ATOM 0 HG21 VAL A 44 136.753 0.376 -7.998 1.00 0.24 H new ATOM 0 HG22 VAL A 44 138.151 0.325 -6.899 1.00 0.24 H new ATOM 0 HG23 VAL A 44 136.970 -1.006 -6.898 1.00 0.24 H new ATOM 678 N VAL A 45 134.806 0.312 -3.159 1.00 0.17 N ATOM 679 CA VAL A 45 133.867 0.810 -2.116 1.00 0.17 C ATOM 680 C VAL A 45 134.498 0.562 -0.747 1.00 0.16 C ATOM 681 O VAL A 45 134.422 1.387 0.141 1.00 0.16 O ATOM 682 CB VAL A 45 132.533 0.067 -2.228 1.00 0.18 C ATOM 683 CG1 VAL A 45 131.646 0.396 -1.018 1.00 0.22 C ATOM 684 CG2 VAL A 45 131.826 0.496 -3.517 1.00 0.20 C ATOM 0 H VAL A 45 134.536 -0.571 -3.592 1.00 0.17 H new ATOM 0 HA VAL A 45 133.680 1.876 -2.249 1.00 0.17 H new ATOM 0 HB VAL A 45 132.717 -1.007 -2.249 1.00 0.18 H new ATOM 0 HG11 VAL A 45 130.699 -0.137 -1.106 1.00 0.22 H new ATOM 0 HG12 VAL A 45 132.151 0.089 -0.102 1.00 0.22 H new ATOM 0 HG13 VAL A 45 131.457 1.469 -0.986 1.00 0.22 H new ATOM 0 HG21 VAL A 45 130.875 -0.030 -3.603 1.00 0.20 H new ATOM 0 HG22 VAL A 45 131.646 1.571 -3.493 1.00 0.20 H new ATOM 0 HG23 VAL A 45 132.454 0.253 -4.374 1.00 0.20 H new ATOM 694 N LEU A 46 135.150 -0.555 -0.582 1.00 0.17 N ATOM 695 CA LEU A 46 135.819 -0.835 0.717 1.00 0.18 C ATOM 696 C LEU A 46 136.848 0.267 0.962 1.00 0.17 C ATOM 697 O LEU A 46 137.058 0.703 2.075 1.00 0.18 O ATOM 698 CB LEU A 46 136.517 -2.202 0.650 1.00 0.22 C ATOM 699 CG LEU A 46 137.360 -2.436 1.915 1.00 0.25 C ATOM 700 CD1 LEU A 46 136.479 -2.319 3.166 1.00 0.40 C ATOM 701 CD2 LEU A 46 137.984 -3.834 1.856 1.00 0.35 C ATOM 0 H LEU A 46 135.248 -1.284 -1.289 1.00 0.17 H new ATOM 0 HA LEU A 46 135.091 -0.856 1.528 1.00 0.18 H new ATOM 0 HB2 LEU A 46 135.773 -2.993 0.549 1.00 0.22 H new ATOM 0 HB3 LEU A 46 137.154 -2.249 -0.233 1.00 0.22 H new ATOM 0 HG LEU A 46 138.147 -1.683 1.965 1.00 0.25 H new ATOM 0 HD11 LEU A 46 137.086 -2.487 4.056 1.00 0.40 H new ATOM 0 HD12 LEU A 46 136.039 -1.323 3.209 1.00 0.40 H new ATOM 0 HD13 LEU A 46 135.685 -3.065 3.123 1.00 0.40 H new ATOM 0 HD21 LEU A 46 138.582 -4.003 2.751 1.00 0.35 H new ATOM 0 HD22 LEU A 46 137.194 -4.583 1.800 1.00 0.35 H new ATOM 0 HD23 LEU A 46 138.620 -3.912 0.974 1.00 0.35 H new ATOM 713 N GLY A 47 137.491 0.715 -0.081 1.00 0.17 N ATOM 714 CA GLY A 47 138.515 1.785 0.068 1.00 0.18 C ATOM 715 C GLY A 47 137.874 3.043 0.659 1.00 0.18 C ATOM 716 O GLY A 47 138.438 3.685 1.521 1.00 0.18 O ATOM 0 H GLY A 47 137.350 0.383 -1.035 1.00 0.17 H new ATOM 0 HA2 GLY A 47 139.322 1.440 0.714 1.00 0.18 H new ATOM 0 HA3 GLY A 47 138.958 2.013 -0.901 1.00 0.18 H new ATOM 720 N GLN A 48 136.697 3.404 0.214 1.00 0.17 N ATOM 721 CA GLN A 48 136.036 4.621 0.772 1.00 0.18 C ATOM 722 C GLN A 48 135.831 4.437 2.280 1.00 0.17 C ATOM 723 O GLN A 48 136.034 5.346 3.056 1.00 0.18 O ATOM 724 CB GLN A 48 134.678 4.824 0.087 1.00 0.19 C ATOM 725 CG GLN A 48 134.064 6.165 0.517 1.00 0.22 C ATOM 726 CD GLN A 48 134.725 7.310 -0.255 1.00 0.28 C ATOM 727 OE1 GLN A 48 135.145 8.290 0.331 1.00 0.98 O ATOM 728 NE2 GLN A 48 134.831 7.231 -1.553 1.00 1.09 N ATOM 0 H GLN A 48 136.169 2.912 -0.507 1.00 0.17 H new ATOM 0 HA GLN A 48 136.663 5.495 0.594 1.00 0.18 H new ATOM 0 HB2 GLN A 48 134.801 4.802 -0.996 1.00 0.19 H new ATOM 0 HB3 GLN A 48 134.005 4.007 0.347 1.00 0.19 H new ATOM 0 HG2 GLN A 48 132.990 6.160 0.330 1.00 0.22 H new ATOM 0 HG3 GLN A 48 134.200 6.311 1.589 1.00 0.22 H new ATOM 0 HE21 GLN A 48 134.479 6.409 -2.044 1.00 1.09 H new ATOM 0 HE22 GLN A 48 135.266 7.991 -2.076 1.00 1.09 H new ATOM 737 N PHE A 49 135.436 3.266 2.701 1.00 0.17 N ATOM 738 CA PHE A 49 135.224 3.023 4.158 1.00 0.17 C ATOM 739 C PHE A 49 136.548 3.267 4.890 1.00 0.18 C ATOM 740 O PHE A 49 136.590 3.836 5.963 1.00 0.19 O ATOM 741 CB PHE A 49 134.768 1.572 4.349 1.00 0.17 C ATOM 742 CG PHE A 49 134.540 1.278 5.813 1.00 0.19 C ATOM 743 CD1 PHE A 49 133.505 1.924 6.500 1.00 0.23 C ATOM 744 CD2 PHE A 49 135.348 0.347 6.480 1.00 0.28 C ATOM 745 CE1 PHE A 49 133.280 1.643 7.852 1.00 0.26 C ATOM 746 CE2 PHE A 49 135.122 0.068 7.832 1.00 0.31 C ATOM 747 CZ PHE A 49 134.089 0.716 8.518 1.00 0.26 C ATOM 0 H PHE A 49 135.250 2.465 2.098 1.00 0.17 H new ATOM 0 HA PHE A 49 134.464 3.693 4.559 1.00 0.17 H new ATOM 0 HB2 PHE A 49 133.849 1.397 3.789 1.00 0.17 H new ATOM 0 HB3 PHE A 49 135.520 0.892 3.948 1.00 0.17 H new ATOM 0 HD1 PHE A 49 132.880 2.639 5.986 1.00 0.23 H new ATOM 0 HD2 PHE A 49 136.145 -0.155 5.951 1.00 0.28 H new ATOM 0 HE1 PHE A 49 132.482 2.142 8.382 1.00 0.26 H new ATOM 0 HE2 PHE A 49 135.745 -0.648 8.347 1.00 0.31 H new ATOM 0 HZ PHE A 49 133.916 0.501 9.562 1.00 0.26 H new ATOM 757 N LEU A 50 137.619 2.843 4.301 1.00 0.19 N ATOM 758 CA LEU A 50 138.947 3.052 4.948 1.00 0.21 C ATOM 759 C LEU A 50 139.266 4.551 4.943 1.00 0.21 C ATOM 760 O LEU A 50 139.830 5.080 5.880 1.00 0.23 O ATOM 761 CB LEU A 50 140.025 2.278 4.181 1.00 0.23 C ATOM 762 CG LEU A 50 139.693 0.776 4.186 1.00 0.23 C ATOM 763 CD1 LEU A 50 140.761 0.019 3.389 1.00 0.28 C ATOM 764 CD2 LEU A 50 139.653 0.244 5.630 1.00 0.28 C ATOM 0 H LEU A 50 137.641 2.361 3.402 1.00 0.19 H new ATOM 0 HA LEU A 50 138.924 2.687 5.975 1.00 0.21 H new ATOM 0 HB2 LEU A 50 140.087 2.642 3.156 1.00 0.23 H new ATOM 0 HB3 LEU A 50 141.000 2.446 4.638 1.00 0.23 H new ATOM 0 HG LEU A 50 138.715 0.625 3.729 1.00 0.23 H new ATOM 0 HD11 LEU A 50 140.529 -1.046 3.390 1.00 0.28 H new ATOM 0 HD12 LEU A 50 140.777 0.386 2.363 1.00 0.28 H new ATOM 0 HD13 LEU A 50 141.737 0.178 3.847 1.00 0.28 H new ATOM 0 HD21 LEU A 50 139.417 -0.820 5.619 1.00 0.28 H new ATOM 0 HD22 LEU A 50 140.624 0.396 6.101 1.00 0.28 H new ATOM 0 HD23 LEU A 50 138.889 0.779 6.194 1.00 0.28 H new ATOM 776 N VAL A 51 138.910 5.235 3.895 1.00 0.21 N ATOM 777 CA VAL A 51 139.190 6.700 3.813 1.00 0.23 C ATOM 778 C VAL A 51 138.413 7.449 4.906 1.00 0.23 C ATOM 779 O VAL A 51 138.803 8.520 5.331 1.00 0.24 O ATOM 780 CB VAL A 51 138.764 7.216 2.433 1.00 0.25 C ATOM 781 CG1 VAL A 51 138.895 8.742 2.388 1.00 0.28 C ATOM 782 CG2 VAL A 51 139.657 6.590 1.350 1.00 0.27 C ATOM 0 H VAL A 51 138.433 4.842 3.083 1.00 0.21 H new ATOM 0 HA VAL A 51 140.256 6.872 3.959 1.00 0.23 H new ATOM 0 HB VAL A 51 137.726 6.939 2.251 1.00 0.25 H new ATOM 0 HG11 VAL A 51 138.591 9.104 1.406 1.00 0.28 H new ATOM 0 HG12 VAL A 51 138.256 9.185 3.152 1.00 0.28 H new ATOM 0 HG13 VAL A 51 139.931 9.024 2.574 1.00 0.28 H new ATOM 0 HG21 VAL A 51 139.353 6.958 0.370 1.00 0.27 H new ATOM 0 HG22 VAL A 51 140.696 6.862 1.533 1.00 0.27 H new ATOM 0 HG23 VAL A 51 139.556 5.505 1.378 1.00 0.27 H new ATOM 792 N LEU A 52 137.304 6.911 5.345 1.00 0.22 N ATOM 793 CA LEU A 52 136.486 7.607 6.391 1.00 0.23 C ATOM 794 C LEU A 52 136.903 7.147 7.794 1.00 0.23 C ATOM 795 O LEU A 52 136.211 7.400 8.760 1.00 0.24 O ATOM 796 CB LEU A 52 135.004 7.290 6.172 1.00 0.24 C ATOM 797 CG LEU A 52 134.563 7.760 4.778 1.00 0.25 C ATOM 798 CD1 LEU A 52 133.091 7.392 4.560 1.00 0.31 C ATOM 799 CD2 LEU A 52 134.739 9.285 4.646 1.00 0.27 C ATOM 0 H LEU A 52 136.927 6.019 5.026 1.00 0.22 H new ATOM 0 HA LEU A 52 136.652 8.681 6.309 1.00 0.23 H new ATOM 0 HB2 LEU A 52 134.835 6.218 6.273 1.00 0.24 H new ATOM 0 HB3 LEU A 52 134.402 7.781 6.937 1.00 0.24 H new ATOM 0 HG LEU A 52 135.181 7.269 4.026 1.00 0.25 H new ATOM 0 HD11 LEU A 52 132.775 7.725 3.571 1.00 0.31 H new ATOM 0 HD12 LEU A 52 132.971 6.311 4.635 1.00 0.31 H new ATOM 0 HD13 LEU A 52 132.478 7.878 5.319 1.00 0.31 H new ATOM 0 HD21 LEU A 52 134.422 9.603 3.653 1.00 0.27 H new ATOM 0 HD22 LEU A 52 134.132 9.788 5.399 1.00 0.27 H new ATOM 0 HD23 LEU A 52 135.787 9.544 4.793 1.00 0.27 H new ATOM 811 N LYS A 53 138.028 6.504 7.931 1.00 0.22 N ATOM 812 CA LYS A 53 138.478 6.071 9.289 1.00 0.23 C ATOM 813 C LYS A 53 137.358 5.327 10.030 1.00 0.24 C ATOM 814 O LYS A 53 137.174 5.499 11.218 1.00 0.30 O ATOM 815 CB LYS A 53 138.882 7.314 10.081 1.00 0.29 C ATOM 816 CG LYS A 53 140.161 7.903 9.470 1.00 0.38 C ATOM 817 CD LYS A 53 140.598 9.158 10.244 1.00 0.49 C ATOM 818 CE LYS A 53 139.808 10.380 9.757 1.00 0.90 C ATOM 819 NZ LYS A 53 140.282 11.596 10.476 1.00 1.70 N ATOM 0 H LYS A 53 138.656 6.259 7.166 1.00 0.22 H new ATOM 0 HA LYS A 53 139.322 5.389 9.187 1.00 0.23 H new ATOM 0 HB2 LYS A 53 138.080 8.052 10.059 1.00 0.29 H new ATOM 0 HB3 LYS A 53 139.049 7.056 11.127 1.00 0.29 H new ATOM 0 HG2 LYS A 53 140.958 7.159 9.492 1.00 0.38 H new ATOM 0 HG3 LYS A 53 139.989 8.155 8.424 1.00 0.38 H new ATOM 0 HD2 LYS A 53 140.434 9.012 11.312 1.00 0.49 H new ATOM 0 HD3 LYS A 53 141.666 9.327 10.105 1.00 0.49 H new ATOM 0 HE2 LYS A 53 139.938 10.506 8.682 1.00 0.90 H new ATOM 0 HE3 LYS A 53 138.743 10.232 9.934 1.00 0.90 H new ATOM 0 HZ1 LYS A 53 139.747 12.425 10.146 1.00 1.70 H new ATOM 0 HZ2 LYS A 53 140.136 11.474 11.498 1.00 1.70 H new ATOM 0 HZ3 LYS A 53 141.294 11.739 10.286 1.00 1.70 H new ATOM 833 N LYS A 54 136.615 4.494 9.339 1.00 0.22 N ATOM 834 CA LYS A 54 135.510 3.714 9.983 1.00 0.25 C ATOM 835 C LYS A 54 134.508 4.656 10.649 1.00 0.27 C ATOM 836 O LYS A 54 133.728 4.244 11.485 1.00 0.33 O ATOM 837 CB LYS A 54 136.088 2.765 11.040 1.00 0.35 C ATOM 838 CG LYS A 54 137.064 1.790 10.381 1.00 0.67 C ATOM 839 CD LYS A 54 137.638 0.845 11.438 1.00 0.83 C ATOM 840 CE LYS A 54 138.592 -0.148 10.768 1.00 1.41 C ATOM 841 NZ LYS A 54 139.738 0.588 10.163 1.00 2.24 N ATOM 0 H LYS A 54 136.730 4.319 8.341 1.00 0.22 H new ATOM 0 HA LYS A 54 135.000 3.138 9.211 1.00 0.25 H new ATOM 0 HB2 LYS A 54 136.598 3.337 11.815 1.00 0.35 H new ATOM 0 HB3 LYS A 54 135.283 2.215 11.527 1.00 0.35 H new ATOM 0 HG2 LYS A 54 136.554 1.218 9.606 1.00 0.67 H new ATOM 0 HG3 LYS A 54 137.870 2.340 9.894 1.00 0.67 H new ATOM 0 HD2 LYS A 54 138.166 1.415 12.202 1.00 0.83 H new ATOM 0 HD3 LYS A 54 136.832 0.310 11.940 1.00 0.83 H new ATOM 0 HE2 LYS A 54 138.956 -0.869 11.500 1.00 1.41 H new ATOM 0 HE3 LYS A 54 138.064 -0.713 10.000 1.00 1.41 H new ATOM 0 HZ1 LYS A 54 140.532 -0.067 10.015 1.00 2.24 H new ATOM 0 HZ2 LYS A 54 139.448 0.992 9.250 1.00 2.24 H new ATOM 0 HZ3 LYS A 54 140.035 1.353 10.802 1.00 2.24 H new ATOM 855 N ASP A 55 134.493 5.902 10.283 1.00 0.29 N ATOM 856 CA ASP A 55 133.507 6.830 10.900 1.00 0.39 C ATOM 857 C ASP A 55 132.105 6.434 10.412 1.00 0.37 C ATOM 858 O ASP A 55 131.761 6.618 9.261 1.00 0.37 O ATOM 859 CB ASP A 55 133.847 8.255 10.475 1.00 0.46 C ATOM 860 CG ASP A 55 135.118 8.707 11.199 1.00 1.18 C ATOM 861 OD1 ASP A 55 135.233 8.430 12.382 1.00 1.80 O ATOM 862 OD2 ASP A 55 135.958 9.314 10.556 1.00 1.55 O ATOM 0 H ASP A 55 135.114 6.318 9.589 1.00 0.29 H new ATOM 0 HA ASP A 55 133.536 6.773 11.988 1.00 0.39 H new ATOM 0 HB2 ASP A 55 133.993 8.300 9.396 1.00 0.46 H new ATOM 0 HB3 ASP A 55 133.021 8.925 10.713 1.00 0.46 H new ATOM 867 N GLU A 56 131.311 5.856 11.277 1.00 0.38 N ATOM 868 CA GLU A 56 129.940 5.393 10.886 1.00 0.37 C ATOM 869 C GLU A 56 129.027 6.548 10.450 1.00 0.38 C ATOM 870 O GLU A 56 128.276 6.423 9.508 1.00 0.37 O ATOM 871 CB GLU A 56 129.311 4.689 12.089 1.00 0.39 C ATOM 872 CG GLU A 56 128.005 4.012 11.671 1.00 0.41 C ATOM 873 CD GLU A 56 127.480 3.167 12.834 1.00 0.62 C ATOM 874 OE1 GLU A 56 128.141 3.128 13.858 1.00 0.87 O ATOM 875 OE2 GLU A 56 126.427 2.571 12.679 1.00 0.85 O ATOM 0 H GLU A 56 131.556 5.682 12.252 1.00 0.38 H new ATOM 0 HA GLU A 56 130.042 4.722 10.033 1.00 0.37 H new ATOM 0 HB2 GLU A 56 130.003 3.948 12.490 1.00 0.39 H new ATOM 0 HB3 GLU A 56 129.119 5.410 12.884 1.00 0.39 H new ATOM 0 HG2 GLU A 56 127.267 4.763 11.389 1.00 0.41 H new ATOM 0 HG3 GLU A 56 128.171 3.384 10.796 1.00 0.41 H new ATOM 882 N ASP A 57 129.073 7.661 11.124 1.00 0.40 N ATOM 883 CA ASP A 57 128.187 8.802 10.739 1.00 0.41 C ATOM 884 C ASP A 57 128.633 9.368 9.394 1.00 0.40 C ATOM 885 O ASP A 57 127.826 9.714 8.554 1.00 0.40 O ATOM 886 CB ASP A 57 128.268 9.889 11.810 1.00 0.45 C ATOM 887 CG ASP A 57 127.581 9.396 13.085 1.00 0.47 C ATOM 888 OD1 ASP A 57 126.643 8.625 12.969 1.00 0.64 O ATOM 889 OD2 ASP A 57 128.010 9.794 14.156 1.00 0.73 O ATOM 0 H ASP A 57 129.683 7.834 11.923 1.00 0.40 H new ATOM 0 HA ASP A 57 127.158 8.452 10.655 1.00 0.41 H new ATOM 0 HB2 ASP A 57 129.310 10.135 12.016 1.00 0.45 H new ATOM 0 HB3 ASP A 57 127.789 10.802 11.455 1.00 0.45 H new ATOM 894 N LEU A 58 129.904 9.453 9.180 1.00 0.40 N ATOM 895 CA LEU A 58 130.386 9.986 7.878 1.00 0.40 C ATOM 896 C LEU A 58 130.076 8.969 6.777 1.00 0.37 C ATOM 897 O LEU A 58 129.689 9.327 5.683 1.00 0.38 O ATOM 898 CB LEU A 58 131.895 10.250 7.941 1.00 0.40 C ATOM 899 CG LEU A 58 132.206 11.283 9.038 1.00 0.47 C ATOM 900 CD1 LEU A 58 133.720 11.515 9.102 1.00 0.45 C ATOM 901 CD2 LEU A 58 131.495 12.616 8.730 1.00 0.55 C ATOM 0 H LEU A 58 130.631 9.180 9.841 1.00 0.40 H new ATOM 0 HA LEU A 58 129.880 10.927 7.660 1.00 0.40 H new ATOM 0 HB2 LEU A 58 132.426 9.320 8.145 1.00 0.40 H new ATOM 0 HB3 LEU A 58 132.249 10.615 6.977 1.00 0.40 H new ATOM 0 HG LEU A 58 131.849 10.904 9.996 1.00 0.47 H new ATOM 0 HD11 LEU A 58 133.943 12.247 9.878 1.00 0.45 H new ATOM 0 HD12 LEU A 58 134.223 10.576 9.333 1.00 0.45 H new ATOM 0 HD13 LEU A 58 134.072 11.888 8.140 1.00 0.45 H new ATOM 0 HD21 LEU A 58 131.723 13.339 9.513 1.00 0.55 H new ATOM 0 HD22 LEU A 58 131.841 13.000 7.770 1.00 0.55 H new ATOM 0 HD23 LEU A 58 130.418 12.453 8.689 1.00 0.55 H new ATOM 913 N PHE A 59 130.221 7.703 7.061 1.00 0.36 N ATOM 914 CA PHE A 59 129.907 6.670 6.030 1.00 0.35 C ATOM 915 C PHE A 59 128.420 6.747 5.667 1.00 0.35 C ATOM 916 O PHE A 59 128.047 6.699 4.512 1.00 0.35 O ATOM 917 CB PHE A 59 130.219 5.278 6.578 1.00 0.34 C ATOM 918 CG PHE A 59 129.906 4.243 5.520 1.00 0.33 C ATOM 919 CD1 PHE A 59 128.627 3.682 5.445 1.00 0.36 C ATOM 920 CD2 PHE A 59 130.899 3.850 4.613 1.00 0.35 C ATOM 921 CE1 PHE A 59 128.339 2.727 4.462 1.00 0.38 C ATOM 922 CE2 PHE A 59 130.612 2.894 3.632 1.00 0.36 C ATOM 923 CZ PHE A 59 129.331 2.333 3.556 1.00 0.36 C ATOM 0 H PHE A 59 130.542 7.339 7.958 1.00 0.36 H new ATOM 0 HA PHE A 59 130.514 6.854 5.143 1.00 0.35 H new ATOM 0 HB2 PHE A 59 131.268 5.215 6.866 1.00 0.34 H new ATOM 0 HB3 PHE A 59 129.630 5.087 7.475 1.00 0.34 H new ATOM 0 HD1 PHE A 59 127.862 3.985 6.145 1.00 0.36 H new ATOM 0 HD2 PHE A 59 131.886 4.285 4.671 1.00 0.35 H new ATOM 0 HE1 PHE A 59 127.351 2.294 4.403 1.00 0.38 H new ATOM 0 HE2 PHE A 59 131.378 2.589 2.934 1.00 0.36 H new ATOM 0 HZ PHE A 59 129.108 1.596 2.798 1.00 0.36 H new ATOM 933 N ARG A 60 127.566 6.836 6.657 1.00 0.37 N ATOM 934 CA ARG A 60 126.098 6.882 6.385 1.00 0.38 C ATOM 935 C ARG A 60 125.741 8.089 5.518 1.00 0.39 C ATOM 936 O ARG A 60 125.027 7.966 4.543 1.00 0.39 O ATOM 937 CB ARG A 60 125.330 6.990 7.710 1.00 0.42 C ATOM 938 CG ARG A 60 125.371 5.659 8.467 1.00 0.43 C ATOM 939 CD ARG A 60 124.644 5.825 9.804 1.00 0.50 C ATOM 940 NE ARG A 60 124.567 4.514 10.508 1.00 1.31 N ATOM 941 CZ ARG A 60 124.271 4.478 11.779 1.00 1.55 C ATOM 942 NH1 ARG A 60 124.101 5.591 12.440 1.00 1.16 N ATOM 943 NH2 ARG A 60 124.153 3.332 12.391 1.00 2.64 N ATOM 0 H ARG A 60 127.824 6.879 7.643 1.00 0.37 H new ATOM 0 HA ARG A 60 125.824 5.968 5.858 1.00 0.38 H new ATOM 0 HB2 ARG A 60 125.764 7.778 8.325 1.00 0.42 H new ATOM 0 HB3 ARG A 60 124.295 7.272 7.515 1.00 0.42 H new ATOM 0 HG2 ARG A 60 124.898 4.875 7.876 1.00 0.43 H new ATOM 0 HG3 ARG A 60 126.404 5.353 8.635 1.00 0.43 H new ATOM 0 HD2 ARG A 60 125.169 6.551 10.425 1.00 0.50 H new ATOM 0 HD3 ARG A 60 123.641 6.216 9.636 1.00 0.50 H new ATOM 0 HE ARG A 60 124.745 3.648 9.999 1.00 1.31 H new ATOM 0 HH11 ARG A 60 124.199 6.487 11.963 1.00 1.16 H new ATOM 0 HH12 ARG A 60 123.870 5.564 13.433 1.00 1.16 H new ATOM 0 HH21 ARG A 60 124.292 2.462 11.876 1.00 2.64 H new ATOM 0 HH22 ARG A 60 123.922 3.306 13.384 1.00 2.64 H new ATOM 957 N GLU A 61 126.226 9.253 5.850 1.00 0.41 N ATOM 958 CA GLU A 61 125.902 10.446 5.025 1.00 0.44 C ATOM 959 C GLU A 61 126.499 10.261 3.630 1.00 0.42 C ATOM 960 O GLU A 61 125.895 10.609 2.635 1.00 0.42 O ATOM 961 CB GLU A 61 126.490 11.695 5.691 1.00 0.48 C ATOM 962 CG GLU A 61 126.129 12.941 4.876 1.00 1.29 C ATOM 963 CD GLU A 61 126.708 14.180 5.561 1.00 1.76 C ATOM 964 OE1 GLU A 61 127.195 14.046 6.672 1.00 2.32 O ATOM 965 OE2 GLU A 61 126.650 15.244 4.967 1.00 2.37 O ATOM 0 H GLU A 61 126.830 9.428 6.653 1.00 0.41 H new ATOM 0 HA GLU A 61 124.822 10.565 4.941 1.00 0.44 H new ATOM 0 HB2 GLU A 61 126.106 11.791 6.707 1.00 0.48 H new ATOM 0 HB3 GLU A 61 127.573 11.601 5.767 1.00 0.48 H new ATOM 0 HG2 GLU A 61 126.523 12.854 3.864 1.00 1.29 H new ATOM 0 HG3 GLU A 61 125.046 13.032 4.790 1.00 1.29 H new ATOM 972 N TRP A 62 127.682 9.721 3.546 1.00 0.40 N ATOM 973 CA TRP A 62 128.316 9.523 2.211 1.00 0.38 C ATOM 974 C TRP A 62 127.488 8.577 1.331 1.00 0.36 C ATOM 975 O TRP A 62 127.210 8.866 0.188 1.00 0.36 O ATOM 976 CB TRP A 62 129.723 8.932 2.399 1.00 0.38 C ATOM 977 CG TRP A 62 130.269 8.504 1.071 1.00 0.36 C ATOM 978 CD1 TRP A 62 130.873 9.316 0.173 1.00 0.38 C ATOM 979 CD2 TRP A 62 130.243 7.177 0.469 1.00 0.34 C ATOM 980 NE1 TRP A 62 131.222 8.571 -0.941 1.00 0.37 N ATOM 981 CE2 TRP A 62 130.854 7.246 -0.805 1.00 0.35 C ATOM 982 CE3 TRP A 62 129.752 5.930 0.902 1.00 0.32 C ATOM 983 CZ2 TRP A 62 130.974 6.118 -1.621 1.00 0.34 C ATOM 984 CZ3 TRP A 62 129.873 4.795 0.084 1.00 0.31 C ATOM 985 CH2 TRP A 62 130.482 4.889 -1.174 1.00 0.32 C ATOM 0 H TRP A 62 128.238 9.408 4.342 1.00 0.40 H new ATOM 0 HA TRP A 62 128.371 10.492 1.715 1.00 0.38 H new ATOM 0 HB2 TRP A 62 130.382 9.672 2.853 1.00 0.38 H new ATOM 0 HB3 TRP A 62 129.683 8.081 3.079 1.00 0.38 H new ATOM 0 HD1 TRP A 62 131.054 10.373 0.304 1.00 0.38 H new ATOM 0 HE1 TRP A 62 131.693 8.953 -1.761 1.00 0.37 H new ATOM 0 HE3 TRP A 62 129.279 5.846 1.869 1.00 0.32 H new ATOM 0 HZ2 TRP A 62 131.444 6.196 -2.590 1.00 0.34 H new ATOM 0 HZ3 TRP A 62 129.494 3.844 0.427 1.00 0.31 H new ATOM 0 HH2 TRP A 62 130.571 4.012 -1.798 1.00 0.32 H new ATOM 996 N LEU A 63 127.114 7.439 1.842 1.00 0.34 N ATOM 997 CA LEU A 63 126.337 6.473 1.012 1.00 0.32 C ATOM 998 C LEU A 63 124.955 7.053 0.692 1.00 0.33 C ATOM 999 O LEU A 63 124.500 7.013 -0.434 1.00 0.32 O ATOM 1000 CB LEU A 63 126.183 5.157 1.794 1.00 0.31 C ATOM 1001 CG LEU A 63 125.415 4.105 0.969 1.00 0.31 C ATOM 1002 CD1 LEU A 63 126.312 3.520 -0.127 1.00 0.30 C ATOM 1003 CD2 LEU A 63 124.961 2.973 1.895 1.00 0.32 C ATOM 0 H LEU A 63 127.311 7.134 2.795 1.00 0.34 H new ATOM 0 HA LEU A 63 126.863 6.286 0.076 1.00 0.32 H new ATOM 0 HB2 LEU A 63 127.167 4.769 2.056 1.00 0.31 H new ATOM 0 HB3 LEU A 63 125.655 5.346 2.729 1.00 0.31 H new ATOM 0 HG LEU A 63 124.554 4.585 0.504 1.00 0.31 H new ATOM 0 HD11 LEU A 63 125.752 2.780 -0.698 1.00 0.30 H new ATOM 0 HD12 LEU A 63 126.642 4.318 -0.792 1.00 0.30 H new ATOM 0 HD13 LEU A 63 127.181 3.045 0.329 1.00 0.30 H new ATOM 0 HD21 LEU A 63 124.417 2.226 1.317 1.00 0.32 H new ATOM 0 HD22 LEU A 63 125.832 2.510 2.358 1.00 0.32 H new ATOM 0 HD23 LEU A 63 124.310 3.376 2.670 1.00 0.32 H new ATOM 1015 N LYS A 64 124.291 7.592 1.670 1.00 0.35 N ATOM 1016 CA LYS A 64 122.942 8.176 1.428 1.00 0.37 C ATOM 1017 C LYS A 64 123.056 9.375 0.486 1.00 0.39 C ATOM 1018 O LYS A 64 122.314 9.510 -0.465 1.00 0.39 O ATOM 1019 CB LYS A 64 122.326 8.607 2.759 1.00 0.41 C ATOM 1020 CG LYS A 64 120.908 9.135 2.528 1.00 0.43 C ATOM 1021 CD LYS A 64 120.282 9.480 3.880 1.00 0.68 C ATOM 1022 CE LYS A 64 118.868 10.023 3.675 1.00 1.25 C ATOM 1023 NZ LYS A 64 118.236 10.264 5.005 1.00 2.11 N ATOM 0 H LYS A 64 124.623 7.655 2.632 1.00 0.35 H new ATOM 0 HA LYS A 64 122.300 7.427 0.964 1.00 0.37 H new ATOM 0 HB2 LYS A 64 122.302 7.763 3.449 1.00 0.41 H new ATOM 0 HB3 LYS A 64 122.941 9.379 3.221 1.00 0.41 H new ATOM 0 HG2 LYS A 64 120.934 10.017 1.888 1.00 0.43 H new ATOM 0 HG3 LYS A 64 120.306 8.386 2.014 1.00 0.43 H new ATOM 0 HD2 LYS A 64 120.252 8.594 4.514 1.00 0.68 H new ATOM 0 HD3 LYS A 64 120.894 10.220 4.396 1.00 0.68 H new ATOM 0 HE2 LYS A 64 118.901 10.950 3.102 1.00 1.25 H new ATOM 0 HE3 LYS A 64 118.273 9.313 3.100 1.00 1.25 H new ATOM 0 HZ1 LYS A 64 117.273 10.634 4.870 1.00 2.11 H new ATOM 0 HZ2 LYS A 64 118.193 9.371 5.536 1.00 2.11 H new ATOM 0 HZ3 LYS A 64 118.801 10.956 5.538 1.00 2.11 H new ATOM 1037 N ASP A 65 123.992 10.245 0.746 1.00 0.41 N ATOM 1038 CA ASP A 65 124.172 11.437 -0.126 1.00 0.45 C ATOM 1039 C ASP A 65 124.701 10.997 -1.490 1.00 0.43 C ATOM 1040 O ASP A 65 124.445 11.621 -2.499 1.00 0.46 O ATOM 1041 CB ASP A 65 125.168 12.403 0.522 1.00 0.49 C ATOM 1042 CG ASP A 65 125.229 13.696 -0.293 1.00 1.17 C ATOM 1043 OD1 ASP A 65 125.769 13.659 -1.386 1.00 1.90 O ATOM 1044 OD2 ASP A 65 124.731 14.700 0.188 1.00 1.42 O ATOM 0 H ASP A 65 124.643 10.180 1.529 1.00 0.41 H new ATOM 0 HA ASP A 65 123.213 11.939 -0.253 1.00 0.45 H new ATOM 0 HB2 ASP A 65 124.866 12.620 1.547 1.00 0.49 H new ATOM 0 HB3 ASP A 65 126.156 11.945 0.571 1.00 0.49 H new ATOM 1049 N THR A 66 125.472 9.944 -1.522 1.00 0.40 N ATOM 1050 CA THR A 66 126.060 9.482 -2.808 1.00 0.39 C ATOM 1051 C THR A 66 125.032 8.728 -3.655 1.00 0.39 C ATOM 1052 O THR A 66 125.047 8.845 -4.866 1.00 0.41 O ATOM 1053 CB THR A 66 127.256 8.568 -2.520 1.00 0.38 C ATOM 1054 OG1 THR A 66 128.260 9.310 -1.843 1.00 0.37 O ATOM 1055 CG2 THR A 66 127.825 8.037 -3.833 1.00 0.39 C ATOM 0 H THR A 66 125.720 9.382 -0.708 1.00 0.40 H new ATOM 0 HA THR A 66 126.383 10.359 -3.370 1.00 0.39 H new ATOM 0 HB THR A 66 126.931 7.732 -1.900 1.00 0.38 H new ATOM 0 HG1 THR A 66 127.953 9.526 -0.938 1.00 0.37 H new ATOM 0 HG21 THR A 66 128.675 7.387 -3.625 1.00 0.39 H new ATOM 0 HG22 THR A 66 127.057 7.471 -4.360 1.00 0.39 H new ATOM 0 HG23 THR A 66 128.150 8.873 -4.453 1.00 0.39 H new ATOM 1063 N CYS A 67 124.167 7.923 -3.072 1.00 0.37 N ATOM 1064 CA CYS A 67 123.188 7.141 -3.903 1.00 0.38 C ATOM 1065 C CYS A 67 121.754 7.304 -3.397 1.00 0.37 C ATOM 1066 O CYS A 67 120.808 7.124 -4.137 1.00 0.40 O ATOM 1067 CB CYS A 67 123.563 5.662 -3.839 1.00 0.37 C ATOM 1068 SG CYS A 67 123.523 5.099 -2.120 1.00 0.36 S ATOM 0 H CYS A 67 124.097 7.775 -2.065 1.00 0.37 H new ATOM 0 HA CYS A 67 123.233 7.518 -4.925 1.00 0.38 H new ATOM 0 HB2 CYS A 67 122.870 5.074 -4.441 1.00 0.37 H new ATOM 0 HB3 CYS A 67 124.557 5.510 -4.259 1.00 0.37 H new ATOM 0 HG CYS A 67 124.165 5.946 -1.371 1.00 0.36 H new ATOM 1074 N GLY A 68 121.580 7.628 -2.142 1.00 0.36 N ATOM 1075 CA GLY A 68 120.200 7.789 -1.581 1.00 0.36 C ATOM 1076 C GLY A 68 119.851 6.557 -0.743 1.00 0.34 C ATOM 1077 O GLY A 68 118.708 6.343 -0.388 1.00 0.34 O ATOM 0 H GLY A 68 122.336 7.789 -1.477 1.00 0.36 H new ATOM 0 HA2 GLY A 68 120.147 8.688 -0.967 1.00 0.36 H new ATOM 0 HA3 GLY A 68 119.478 7.911 -2.389 1.00 0.36 H new ATOM 1081 N ALA A 69 120.820 5.743 -0.420 1.00 0.33 N ATOM 1082 CA ALA A 69 120.526 4.530 0.395 1.00 0.32 C ATOM 1083 C ALA A 69 119.748 4.942 1.640 1.00 0.31 C ATOM 1084 O ALA A 69 119.832 6.067 2.092 1.00 0.32 O ATOM 1085 CB ALA A 69 121.836 3.856 0.811 1.00 0.32 C ATOM 0 H ALA A 69 121.798 5.865 -0.684 1.00 0.33 H new ATOM 0 HA ALA A 69 119.935 3.829 -0.195 1.00 0.32 H new ATOM 0 HB1 ALA A 69 121.616 2.970 1.407 1.00 0.32 H new ATOM 0 HB2 ALA A 69 122.394 3.566 -0.079 1.00 0.32 H new ATOM 0 HB3 ALA A 69 122.431 4.552 1.402 1.00 0.32 H new ATOM 1091 N ASN A 70 118.979 4.047 2.197 1.00 0.30 N ATOM 1092 CA ASN A 70 118.186 4.399 3.409 1.00 0.30 C ATOM 1093 C ASN A 70 119.019 4.126 4.662 1.00 0.30 C ATOM 1094 O ASN A 70 120.081 3.539 4.602 1.00 0.29 O ATOM 1095 CB ASN A 70 116.915 3.548 3.440 1.00 0.30 C ATOM 1096 CG ASN A 70 115.974 4.003 2.321 1.00 1.06 C ATOM 1097 OD1 ASN A 70 115.993 5.152 1.926 1.00 1.90 O ATOM 1098 ND2 ASN A 70 115.148 3.145 1.788 1.00 1.77 N ATOM 0 H ASN A 70 118.865 3.089 1.866 1.00 0.30 H new ATOM 0 HA ASN A 70 117.918 5.455 3.380 1.00 0.30 H new ATOM 0 HB2 ASN A 70 117.166 2.495 3.314 1.00 0.30 H new ATOM 0 HB3 ASN A 70 116.422 3.645 4.407 1.00 0.30 H new ATOM 0 HD21 ASN A 70 114.519 3.439 1.041 1.00 1.77 H new ATOM 0 HD22 ASN A 70 115.131 2.180 2.119 1.00 1.77 H new ATOM 1105 N ALA A 71 118.548 4.566 5.794 1.00 0.32 N ATOM 1106 CA ALA A 71 119.305 4.361 7.061 1.00 0.34 C ATOM 1107 C ALA A 71 119.512 2.867 7.335 1.00 0.32 C ATOM 1108 O ALA A 71 120.491 2.473 7.935 1.00 0.32 O ATOM 1109 CB ALA A 71 118.523 4.980 8.219 1.00 0.39 C ATOM 0 H ALA A 71 117.663 5.063 5.898 1.00 0.32 H new ATOM 0 HA ALA A 71 120.281 4.837 6.966 1.00 0.34 H new ATOM 0 HB1 ALA A 71 119.072 4.833 9.149 1.00 0.39 H new ATOM 0 HB2 ALA A 71 118.392 6.047 8.040 1.00 0.39 H new ATOM 0 HB3 ALA A 71 117.546 4.502 8.295 1.00 0.39 H new ATOM 1115 N LYS A 72 118.593 2.034 6.927 1.00 0.30 N ATOM 1116 CA LYS A 72 118.752 0.577 7.202 1.00 0.29 C ATOM 1117 C LYS A 72 119.824 -0.020 6.287 1.00 0.27 C ATOM 1118 O LYS A 72 120.607 -0.860 6.689 1.00 0.27 O ATOM 1119 CB LYS A 72 117.413 -0.130 6.967 1.00 0.29 C ATOM 1120 CG LYS A 72 117.081 -0.151 5.473 1.00 1.18 C ATOM 1121 CD LYS A 72 115.642 -0.630 5.281 1.00 1.29 C ATOM 1122 CE LYS A 72 115.380 -0.893 3.798 1.00 2.11 C ATOM 1123 NZ LYS A 72 116.252 -2.007 3.329 1.00 2.58 N ATOM 0 H LYS A 72 117.747 2.295 6.420 1.00 0.30 H new ATOM 0 HA LYS A 72 119.062 0.438 8.238 1.00 0.29 H new ATOM 0 HB2 LYS A 72 117.459 -1.149 7.351 1.00 0.29 H new ATOM 0 HB3 LYS A 72 116.622 0.382 7.516 1.00 0.29 H new ATOM 0 HG2 LYS A 72 117.205 0.845 5.047 1.00 1.18 H new ATOM 0 HG3 LYS A 72 117.769 -0.811 4.945 1.00 1.18 H new ATOM 0 HD2 LYS A 72 115.471 -1.539 5.857 1.00 1.29 H new ATOM 0 HD3 LYS A 72 114.946 0.120 5.656 1.00 1.29 H new ATOM 0 HE2 LYS A 72 114.332 -1.148 3.643 1.00 2.11 H new ATOM 0 HE3 LYS A 72 115.579 0.008 3.217 1.00 2.11 H new ATOM 0 HZ1 LYS A 72 116.980 -1.632 2.689 1.00 2.58 H new ATOM 0 HZ2 LYS A 72 116.709 -2.458 4.147 1.00 2.58 H new ATOM 0 HZ3 LYS A 72 115.676 -2.710 2.824 1.00 2.58 H new ATOM 1137 N GLN A 73 119.846 0.393 5.051 1.00 0.26 N ATOM 1138 CA GLN A 73 120.837 -0.154 4.085 1.00 0.25 C ATOM 1139 C GLN A 73 122.248 0.263 4.481 1.00 0.25 C ATOM 1140 O GLN A 73 123.200 -0.465 4.280 1.00 0.25 O ATOM 1141 CB GLN A 73 120.514 0.375 2.688 1.00 0.26 C ATOM 1142 CG GLN A 73 119.219 -0.272 2.195 1.00 0.29 C ATOM 1143 CD GLN A 73 118.874 0.261 0.805 1.00 1.24 C ATOM 1144 OE1 GLN A 73 118.887 1.455 0.580 1.00 2.12 O ATOM 1145 NE2 GLN A 73 118.566 -0.578 -0.144 1.00 1.88 N ATOM 0 H GLN A 73 119.213 1.094 4.665 1.00 0.26 H new ATOM 0 HA GLN A 73 120.783 -1.243 4.091 1.00 0.25 H new ATOM 0 HB2 GLN A 73 120.407 1.459 2.712 1.00 0.26 H new ATOM 0 HB3 GLN A 73 121.331 0.150 2.003 1.00 0.26 H new ATOM 0 HG2 GLN A 73 119.332 -1.356 2.162 1.00 0.29 H new ATOM 0 HG3 GLN A 73 118.407 -0.057 2.889 1.00 0.29 H new ATOM 0 HE21 GLN A 73 118.555 -1.580 0.045 1.00 1.88 H new ATOM 0 HE22 GLN A 73 118.336 -0.232 -1.076 1.00 1.88 H new ATOM 1154 N SER A 74 122.397 1.431 5.038 1.00 0.26 N ATOM 1155 CA SER A 74 123.749 1.892 5.438 1.00 0.27 C ATOM 1156 C SER A 74 124.262 1.045 6.606 1.00 0.26 C ATOM 1157 O SER A 74 125.431 0.724 6.677 1.00 0.26 O ATOM 1158 CB SER A 74 123.682 3.358 5.857 1.00 0.30 C ATOM 1159 OG SER A 74 123.124 3.450 7.161 1.00 1.36 O ATOM 0 H SER A 74 121.639 2.085 5.233 1.00 0.26 H new ATOM 0 HA SER A 74 124.431 1.786 4.594 1.00 0.27 H new ATOM 0 HB2 SER A 74 124.679 3.798 5.844 1.00 0.30 H new ATOM 0 HB3 SER A 74 123.076 3.923 5.149 1.00 0.30 H new ATOM 0 HG SER A 74 122.223 3.065 7.159 1.00 1.36 H new ATOM 1165 N ARG A 75 123.403 0.672 7.525 1.00 0.27 N ATOM 1166 CA ARG A 75 123.861 -0.158 8.675 1.00 0.28 C ATOM 1167 C ARG A 75 124.432 -1.476 8.161 1.00 0.26 C ATOM 1168 O ARG A 75 125.394 -1.988 8.699 1.00 0.27 O ATOM 1169 CB ARG A 75 122.694 -0.438 9.627 1.00 0.30 C ATOM 1170 CG ARG A 75 122.300 0.850 10.351 1.00 0.33 C ATOM 1171 CD ARG A 75 121.135 0.565 11.301 1.00 0.61 C ATOM 1172 NE ARG A 75 120.732 1.826 11.986 1.00 1.34 N ATOM 1173 CZ ARG A 75 119.581 1.897 12.598 1.00 1.81 C ATOM 1174 NH1 ARG A 75 118.785 0.864 12.611 1.00 1.88 N ATOM 1175 NH2 ARG A 75 119.229 3.001 13.197 1.00 2.80 N ATOM 0 H ARG A 75 122.410 0.907 7.525 1.00 0.27 H new ATOM 0 HA ARG A 75 124.634 0.387 9.217 1.00 0.28 H new ATOM 0 HB2 ARG A 75 121.843 -0.828 9.069 1.00 0.30 H new ATOM 0 HB3 ARG A 75 122.978 -1.202 10.351 1.00 0.30 H new ATOM 0 HG2 ARG A 75 123.151 1.241 10.909 1.00 0.33 H new ATOM 0 HG3 ARG A 75 122.015 1.614 9.628 1.00 0.33 H new ATOM 0 HD2 ARG A 75 120.291 0.155 10.746 1.00 0.61 H new ATOM 0 HD3 ARG A 75 121.427 -0.184 12.037 1.00 0.61 H new ATOM 0 HE ARG A 75 121.355 2.633 11.977 1.00 1.34 H new ATOM 0 HH11 ARG A 75 119.062 0.001 12.143 1.00 1.88 H new ATOM 0 HH12 ARG A 75 117.886 0.919 13.089 1.00 1.88 H new ATOM 0 HH21 ARG A 75 119.853 3.808 13.187 1.00 2.80 H new ATOM 0 HH22 ARG A 75 118.330 3.057 13.675 1.00 2.80 H new ATOM 1189 N ASP A 76 123.846 -2.060 7.149 1.00 0.25 N ATOM 1190 CA ASP A 76 124.350 -3.365 6.641 1.00 0.24 C ATOM 1191 C ASP A 76 125.719 -3.191 5.986 1.00 0.23 C ATOM 1192 O ASP A 76 126.597 -4.011 6.156 1.00 0.23 O ATOM 1193 CB ASP A 76 123.364 -3.911 5.606 1.00 0.24 C ATOM 1194 CG ASP A 76 122.075 -4.342 6.307 1.00 0.25 C ATOM 1195 OD1 ASP A 76 122.121 -4.565 7.504 1.00 0.40 O ATOM 1196 OD2 ASP A 76 121.062 -4.436 5.634 1.00 0.39 O ATOM 0 H ASP A 76 123.037 -1.686 6.652 1.00 0.25 H new ATOM 0 HA ASP A 76 124.445 -4.058 7.477 1.00 0.24 H new ATOM 0 HB2 ASP A 76 123.146 -3.149 4.858 1.00 0.24 H new ATOM 0 HB3 ASP A 76 123.805 -4.758 5.079 1.00 0.24 H new ATOM 1201 N CYS A 77 125.924 -2.134 5.252 1.00 0.22 N ATOM 1202 CA CYS A 77 127.254 -1.938 4.617 1.00 0.22 C ATOM 1203 C CYS A 77 128.287 -1.615 5.696 1.00 0.22 C ATOM 1204 O CYS A 77 129.405 -2.088 5.655 1.00 0.21 O ATOM 1205 CB CYS A 77 127.173 -0.779 3.621 1.00 0.23 C ATOM 1206 SG CYS A 77 126.173 -1.273 2.195 1.00 0.24 S ATOM 0 H CYS A 77 125.236 -1.405 5.066 1.00 0.22 H new ATOM 0 HA CYS A 77 127.549 -2.847 4.093 1.00 0.22 H new ATOM 0 HB2 CYS A 77 126.734 0.096 4.100 1.00 0.23 H new ATOM 0 HB3 CYS A 77 128.174 -0.495 3.295 1.00 0.23 H new ATOM 0 HG CYS A 77 126.216 -2.565 2.062 1.00 0.24 H new ATOM 1212 N PHE A 78 127.937 -0.811 6.661 1.00 0.23 N ATOM 1213 CA PHE A 78 128.923 -0.471 7.720 1.00 0.25 C ATOM 1214 C PHE A 78 129.364 -1.744 8.439 1.00 0.24 C ATOM 1215 O PHE A 78 130.529 -2.088 8.456 1.00 0.23 O ATOM 1216 CB PHE A 78 128.276 0.491 8.720 1.00 0.29 C ATOM 1217 CG PHE A 78 129.259 0.840 9.812 1.00 0.32 C ATOM 1218 CD1 PHE A 78 130.110 1.944 9.667 1.00 0.36 C ATOM 1219 CD2 PHE A 78 129.314 0.064 10.976 1.00 0.38 C ATOM 1220 CE1 PHE A 78 131.015 2.270 10.686 1.00 0.41 C ATOM 1221 CE2 PHE A 78 130.219 0.389 11.994 1.00 0.43 C ATOM 1222 CZ PHE A 78 131.068 1.491 11.849 1.00 0.43 C ATOM 0 H PHE A 78 127.019 -0.379 6.761 1.00 0.23 H new ATOM 0 HA PHE A 78 129.795 0.004 7.270 1.00 0.25 H new ATOM 0 HB2 PHE A 78 127.952 1.397 8.208 1.00 0.29 H new ATOM 0 HB3 PHE A 78 127.386 0.034 9.153 1.00 0.29 H new ATOM 0 HD1 PHE A 78 130.068 2.544 8.770 1.00 0.36 H new ATOM 0 HD2 PHE A 78 128.658 -0.786 11.089 1.00 0.38 H new ATOM 0 HE1 PHE A 78 131.671 3.121 10.575 1.00 0.41 H new ATOM 0 HE2 PHE A 78 130.261 -0.211 12.891 1.00 0.43 H new ATOM 0 HZ PHE A 78 131.765 1.742 12.635 1.00 0.43 H new ATOM 1232 N GLY A 79 128.442 -2.446 9.042 1.00 0.25 N ATOM 1233 CA GLY A 79 128.800 -3.694 9.771 1.00 0.26 C ATOM 1234 C GLY A 79 129.368 -4.744 8.810 1.00 0.24 C ATOM 1235 O GLY A 79 130.249 -5.500 9.158 1.00 0.24 O ATOM 0 H GLY A 79 127.451 -2.206 9.060 1.00 0.25 H new ATOM 0 HA2 GLY A 79 129.533 -3.470 10.546 1.00 0.26 H new ATOM 0 HA3 GLY A 79 127.918 -4.093 10.272 1.00 0.26 H new ATOM 1239 N CYS A 80 128.877 -4.804 7.606 1.00 0.22 N ATOM 1240 CA CYS A 80 129.410 -5.818 6.652 1.00 0.22 C ATOM 1241 C CYS A 80 130.849 -5.471 6.277 1.00 0.22 C ATOM 1242 O CYS A 80 131.738 -6.296 6.358 1.00 0.23 O ATOM 1243 CB CYS A 80 128.548 -5.842 5.391 1.00 0.22 C ATOM 1244 SG CYS A 80 129.211 -7.066 4.235 1.00 0.25 S ATOM 0 H CYS A 80 128.138 -4.203 7.242 1.00 0.22 H new ATOM 0 HA CYS A 80 129.387 -6.799 7.126 1.00 0.22 H new ATOM 0 HB2 CYS A 80 127.517 -6.087 5.646 1.00 0.22 H new ATOM 0 HB3 CYS A 80 128.535 -4.856 4.927 1.00 0.22 H new ATOM 0 HG CYS A 80 129.144 -6.600 3.023 1.00 0.25 H new ATOM 1250 N LEU A 81 131.093 -4.254 5.887 1.00 0.21 N ATOM 1251 CA LEU A 81 132.486 -3.872 5.535 1.00 0.21 C ATOM 1252 C LEU A 81 133.335 -3.830 6.810 1.00 0.22 C ATOM 1253 O LEU A 81 134.478 -4.244 6.818 1.00 0.22 O ATOM 1254 CB LEU A 81 132.484 -2.496 4.868 1.00 0.22 C ATOM 1255 CG LEU A 81 131.631 -2.536 3.593 1.00 0.24 C ATOM 1256 CD1 LEU A 81 131.543 -1.125 3.005 1.00 0.30 C ATOM 1257 CD2 LEU A 81 132.258 -3.493 2.561 1.00 0.28 C ATOM 0 H LEU A 81 130.397 -3.514 5.797 1.00 0.21 H new ATOM 0 HA LEU A 81 132.905 -4.604 4.844 1.00 0.21 H new ATOM 0 HB2 LEU A 81 132.090 -1.749 5.557 1.00 0.22 H new ATOM 0 HB3 LEU A 81 133.504 -2.198 4.625 1.00 0.22 H new ATOM 0 HG LEU A 81 130.632 -2.896 3.839 1.00 0.24 H new ATOM 0 HD11 LEU A 81 130.938 -1.146 2.098 1.00 0.30 H new ATOM 0 HD12 LEU A 81 131.084 -0.456 3.732 1.00 0.30 H new ATOM 0 HD13 LEU A 81 132.544 -0.768 2.765 1.00 0.30 H new ATOM 0 HD21 LEU A 81 131.643 -3.512 1.661 1.00 0.28 H new ATOM 0 HD22 LEU A 81 133.261 -3.149 2.308 1.00 0.28 H new ATOM 0 HD23 LEU A 81 132.315 -4.496 2.983 1.00 0.28 H new ATOM 1269 N ARG A 82 132.789 -3.329 7.890 1.00 0.22 N ATOM 1270 CA ARG A 82 133.579 -3.260 9.155 1.00 0.24 C ATOM 1271 C ARG A 82 133.955 -4.672 9.607 1.00 0.25 C ATOM 1272 O ARG A 82 135.053 -4.910 10.069 1.00 0.26 O ATOM 1273 CB ARG A 82 132.760 -2.564 10.248 1.00 0.28 C ATOM 1274 CG ARG A 82 133.585 -2.498 11.539 1.00 0.33 C ATOM 1275 CD ARG A 82 132.828 -1.683 12.590 1.00 0.84 C ATOM 1276 NE ARG A 82 133.718 -1.431 13.774 1.00 1.41 N ATOM 1277 CZ ARG A 82 134.248 -2.412 14.456 1.00 1.95 C ATOM 1278 NH1 ARG A 82 133.875 -3.643 14.244 1.00 2.25 N ATOM 1279 NH2 ARG A 82 135.119 -2.154 15.392 1.00 2.73 N ATOM 0 H ARG A 82 131.837 -2.967 7.950 1.00 0.22 H new ATOM 0 HA ARG A 82 134.489 -2.687 8.976 1.00 0.24 H new ATOM 0 HB2 ARG A 82 132.485 -1.559 9.927 1.00 0.28 H new ATOM 0 HB3 ARG A 82 131.832 -3.108 10.424 1.00 0.28 H new ATOM 0 HG2 ARG A 82 133.776 -3.504 11.912 1.00 0.33 H new ATOM 0 HG3 ARG A 82 134.555 -2.042 11.340 1.00 0.33 H new ATOM 0 HD2 ARG A 82 132.499 -0.736 12.162 1.00 0.84 H new ATOM 0 HD3 ARG A 82 131.932 -2.219 12.904 1.00 0.84 H new ATOM 0 HE ARG A 82 133.914 -0.470 14.053 1.00 1.41 H new ATOM 0 HH11 ARG A 82 133.164 -3.847 13.541 1.00 2.25 H new ATOM 0 HH12 ARG A 82 134.294 -4.402 14.781 1.00 2.25 H new ATOM 0 HH21 ARG A 82 135.384 -1.189 15.590 1.00 2.73 H new ATOM 0 HH22 ARG A 82 135.535 -2.917 15.926 1.00 2.73 H new ATOM 1293 N GLU A 83 133.059 -5.614 9.479 1.00 0.25 N ATOM 1294 CA GLU A 83 133.380 -7.005 9.903 1.00 0.28 C ATOM 1295 C GLU A 83 134.403 -7.615 8.947 1.00 0.27 C ATOM 1296 O GLU A 83 135.280 -8.347 9.360 1.00 0.29 O ATOM 1297 CB GLU A 83 132.105 -7.856 9.925 1.00 0.30 C ATOM 1298 CG GLU A 83 131.266 -7.492 11.154 1.00 0.33 C ATOM 1299 CD GLU A 83 129.984 -8.327 11.163 1.00 1.19 C ATOM 1300 OE1 GLU A 83 129.894 -9.245 10.364 1.00 1.91 O ATOM 1301 OE2 GLU A 83 129.112 -8.030 11.963 1.00 1.56 O ATOM 0 H GLU A 83 132.122 -5.480 9.100 1.00 0.25 H new ATOM 0 HA GLU A 83 133.803 -6.982 10.907 1.00 0.28 H new ATOM 0 HB2 GLU A 83 131.528 -7.688 9.016 1.00 0.30 H new ATOM 0 HB3 GLU A 83 132.363 -8.915 9.949 1.00 0.30 H new ATOM 0 HG2 GLU A 83 131.837 -7.674 12.064 1.00 0.33 H new ATOM 0 HG3 GLU A 83 131.021 -6.430 11.138 1.00 0.33 H new ATOM 1308 N TRP A 84 134.328 -7.322 7.676 1.00 0.25 N ATOM 1309 CA TRP A 84 135.331 -7.891 6.739 1.00 0.25 C ATOM 1310 C TRP A 84 136.713 -7.412 7.189 1.00 0.27 C ATOM 1311 O TRP A 84 137.670 -8.161 7.213 1.00 0.28 O ATOM 1312 CB TRP A 84 135.047 -7.405 5.316 1.00 0.25 C ATOM 1313 CG TRP A 84 135.980 -8.088 4.371 1.00 0.27 C ATOM 1314 CD1 TRP A 84 135.703 -9.227 3.698 1.00 0.30 C ATOM 1315 CD2 TRP A 84 137.334 -7.708 3.994 1.00 0.30 C ATOM 1316 NE1 TRP A 84 136.801 -9.572 2.931 1.00 0.33 N ATOM 1317 CE2 TRP A 84 137.832 -8.666 3.080 1.00 0.32 C ATOM 1318 CE3 TRP A 84 138.171 -6.636 4.352 1.00 0.31 C ATOM 1319 CZ2 TRP A 84 139.113 -8.568 2.541 1.00 0.36 C ATOM 1320 CZ3 TRP A 84 139.463 -6.533 3.810 1.00 0.35 C ATOM 1321 CH2 TRP A 84 139.932 -7.497 2.907 1.00 0.37 C ATOM 0 H TRP A 84 133.622 -6.719 7.252 1.00 0.25 H new ATOM 0 HA TRP A 84 135.285 -8.980 6.745 1.00 0.25 H new ATOM 0 HB2 TRP A 84 134.013 -7.620 5.045 1.00 0.25 H new ATOM 0 HB3 TRP A 84 135.175 -6.324 5.255 1.00 0.25 H new ATOM 0 HD1 TRP A 84 134.776 -9.778 3.751 1.00 0.30 H new ATOM 0 HE1 TRP A 84 136.844 -10.395 2.329 1.00 0.33 H new ATOM 0 HE3 TRP A 84 137.819 -5.888 5.047 1.00 0.31 H new ATOM 0 HZ2 TRP A 84 139.470 -9.314 1.846 1.00 0.36 H new ATOM 0 HZ3 TRP A 84 140.099 -5.706 4.091 1.00 0.35 H new ATOM 0 HH2 TRP A 84 140.926 -7.412 2.494 1.00 0.37 H new ATOM 1332 N CYS A 85 136.810 -6.164 7.566 1.00 0.27 N ATOM 1333 CA CYS A 85 138.116 -5.624 8.041 1.00 0.30 C ATOM 1334 C CYS A 85 138.526 -6.373 9.309 1.00 0.33 C ATOM 1335 O CYS A 85 139.678 -6.704 9.510 1.00 0.36 O ATOM 1336 CB CYS A 85 137.961 -4.131 8.353 1.00 0.33 C ATOM 1337 SG CYS A 85 137.966 -3.189 6.807 1.00 0.33 S ATOM 0 H CYS A 85 136.040 -5.495 7.565 1.00 0.27 H new ATOM 0 HA CYS A 85 138.878 -5.755 7.273 1.00 0.30 H new ATOM 0 HB2 CYS A 85 137.032 -3.956 8.895 1.00 0.33 H new ATOM 0 HB3 CYS A 85 138.774 -3.797 8.998 1.00 0.33 H new ATOM 0 HG CYS A 85 137.832 -1.923 7.070 1.00 0.33 H new ATOM 1343 N ASP A 86 137.579 -6.643 10.163 1.00 0.34 N ATOM 1344 CA ASP A 86 137.875 -7.373 11.426 1.00 0.39 C ATOM 1345 C ASP A 86 138.459 -8.750 11.105 1.00 0.41 C ATOM 1346 O ASP A 86 139.339 -9.237 11.787 1.00 0.43 O ATOM 1347 CB ASP A 86 136.587 -7.541 12.233 1.00 0.41 C ATOM 1348 CG ASP A 86 136.146 -6.180 12.776 1.00 0.42 C ATOM 1349 OD1 ASP A 86 137.010 -5.363 13.044 1.00 0.55 O ATOM 1350 OD2 ASP A 86 134.950 -5.977 12.907 1.00 0.51 O ATOM 0 H ASP A 86 136.600 -6.385 10.037 1.00 0.34 H new ATOM 0 HA ASP A 86 138.599 -6.803 12.008 1.00 0.39 H new ATOM 0 HB2 ASP A 86 135.804 -7.965 11.605 1.00 0.41 H new ATOM 0 HB3 ASP A 86 136.748 -8.238 13.055 1.00 0.41 H new ATOM 1355 N ALA A 87 137.962 -9.393 10.080 1.00 0.41 N ATOM 1356 CA ALA A 87 138.473 -10.750 9.725 1.00 0.43 C ATOM 1357 C ALA A 87 139.682 -10.629 8.797 1.00 0.43 C ATOM 1358 O ALA A 87 140.609 -11.411 8.876 1.00 0.48 O ATOM 1359 CB ALA A 87 137.366 -11.536 9.021 1.00 0.41 C ATOM 0 H ALA A 87 137.224 -9.036 9.473 1.00 0.41 H new ATOM 0 HA ALA A 87 138.775 -11.270 10.634 1.00 0.43 H new ATOM 0 HB1 ALA A 87 137.734 -12.528 8.759 1.00 0.41 H new ATOM 0 HB2 ALA A 87 136.508 -11.631 9.686 1.00 0.41 H new ATOM 0 HB3 ALA A 87 137.066 -11.010 8.115 1.00 0.41 H new ATOM 1365 N PHE A 88 139.672 -9.674 7.900 1.00 0.40 N ATOM 1366 CA PHE A 88 140.814 -9.526 6.946 1.00 0.44 C ATOM 1367 C PHE A 88 141.710 -8.366 7.368 1.00 0.54 C ATOM 1368 O PHE A 88 142.699 -8.550 8.050 1.00 1.24 O ATOM 1369 CB PHE A 88 140.268 -9.228 5.546 1.00 0.41 C ATOM 1370 CG PHE A 88 139.664 -10.474 4.948 1.00 0.39 C ATOM 1371 CD1 PHE A 88 140.478 -11.376 4.252 1.00 0.44 C ATOM 1372 CD2 PHE A 88 138.293 -10.722 5.075 1.00 0.35 C ATOM 1373 CE1 PHE A 88 139.921 -12.526 3.685 1.00 0.47 C ATOM 1374 CE2 PHE A 88 137.735 -11.871 4.505 1.00 0.40 C ATOM 1375 CZ PHE A 88 138.550 -12.772 3.811 1.00 0.45 C ATOM 0 H PHE A 88 138.923 -8.991 7.787 1.00 0.40 H new ATOM 0 HA PHE A 88 141.390 -10.451 6.945 1.00 0.44 H new ATOM 0 HB2 PHE A 88 139.516 -8.441 5.601 1.00 0.41 H new ATOM 0 HB3 PHE A 88 141.069 -8.860 4.906 1.00 0.41 H new ATOM 0 HD1 PHE A 88 141.536 -11.183 4.153 1.00 0.44 H new ATOM 0 HD2 PHE A 88 137.666 -10.027 5.613 1.00 0.35 H new ATOM 0 HE1 PHE A 88 140.549 -13.224 3.150 1.00 0.47 H new ATOM 0 HE2 PHE A 88 136.676 -12.062 4.600 1.00 0.40 H new ATOM 0 HZ PHE A 88 138.119 -13.660 3.372 1.00 0.45 H new ATOM 1385 N LEU A 89 141.391 -7.173 6.942 1.00 0.39 N ATOM 1386 CA LEU A 89 142.235 -5.995 7.285 1.00 0.36 C ATOM 1387 C LEU A 89 141.856 -5.468 8.671 1.00 0.87 C ATOM 1388 O LEU A 89 140.920 -4.694 8.750 1.00 1.43 O ATOM 1389 CB LEU A 89 141.992 -4.907 6.233 1.00 0.74 C ATOM 1390 CG LEU A 89 142.683 -3.596 6.635 1.00 0.47 C ATOM 1391 CD1 LEU A 89 144.145 -3.861 7.005 1.00 1.00 C ATOM 1392 CD2 LEU A 89 142.629 -2.621 5.452 1.00 1.28 C ATOM 1393 OXT LEU A 89 142.509 -5.850 9.627 1.00 1.66 O ATOM 0 H LEU A 89 140.575 -6.964 6.367 1.00 0.39 H new ATOM 0 HA LEU A 89 143.287 -6.280 7.297 1.00 0.36 H new ATOM 0 HB2 LEU A 89 142.368 -5.240 5.266 1.00 0.74 H new ATOM 0 HB3 LEU A 89 140.921 -4.739 6.118 1.00 0.74 H new ATOM 0 HG LEU A 89 142.171 -3.170 7.498 1.00 0.47 H new ATOM 0 HD11 LEU A 89 144.624 -2.924 7.288 1.00 1.00 H new ATOM 0 HD12 LEU A 89 144.188 -4.558 7.842 1.00 1.00 H new ATOM 0 HD13 LEU A 89 144.665 -4.290 6.149 1.00 1.00 H new ATOM 0 HD21 LEU A 89 143.118 -1.687 5.728 1.00 1.28 H new ATOM 0 HD22 LEU A 89 143.142 -3.059 4.596 1.00 1.28 H new ATOM 0 HD23 LEU A 89 141.589 -2.423 5.190 1.00 1.28 H new TER 1405 LEU A 89 ATOM 1406 N MET B 1 162.502 -8.352 -3.611 1.00 3.74 N ATOM 1407 CA MET B 1 162.524 -6.939 -4.084 1.00 3.26 C ATOM 1408 C MET B 1 163.777 -6.242 -3.552 1.00 2.28 C ATOM 1409 O MET B 1 164.439 -6.729 -2.657 1.00 2.68 O ATOM 1410 CB MET B 1 161.284 -6.202 -3.565 1.00 3.75 C ATOM 1411 CG MET B 1 160.017 -6.777 -4.212 1.00 4.33 C ATOM 1412 SD MET B 1 159.505 -8.259 -3.310 1.00 5.04 S ATOM 1413 CE MET B 1 158.741 -9.121 -4.706 1.00 5.66 C ATOM 0 H1 MET B 1 161.521 -8.696 -3.590 1.00 3.74 H new ATOM 0 H2 MET B 1 163.062 -8.943 -4.258 1.00 3.74 H new ATOM 0 H3 MET B 1 162.908 -8.404 -2.655 1.00 3.74 H new ATOM 0 HA MET B 1 162.529 -6.926 -5.174 1.00 3.26 H new ATOM 0 HB2 MET B 1 161.223 -6.297 -2.481 1.00 3.75 H new ATOM 0 HB3 MET B 1 161.364 -5.138 -3.788 1.00 3.75 H new ATOM 0 HG2 MET B 1 159.219 -6.035 -4.198 1.00 4.33 H new ATOM 0 HG3 MET B 1 160.207 -7.021 -5.257 1.00 4.33 H new ATOM 0 HE1 MET B 1 158.003 -9.832 -4.335 1.00 5.66 H new ATOM 0 HE2 MET B 1 158.251 -8.397 -5.357 1.00 5.66 H new ATOM 0 HE3 MET B 1 159.508 -9.654 -5.268 1.00 5.66 H new ATOM 1425 N THR B 2 164.100 -5.098 -4.092 1.00 1.63 N ATOM 1426 CA THR B 2 165.304 -4.355 -3.618 1.00 1.44 C ATOM 1427 C THR B 2 164.885 -3.418 -2.482 1.00 1.17 C ATOM 1428 O THR B 2 165.695 -2.721 -1.904 1.00 1.22 O ATOM 1429 CB THR B 2 165.881 -3.538 -4.781 1.00 2.22 C ATOM 1430 OG1 THR B 2 165.842 -4.321 -5.967 1.00 2.78 O ATOM 1431 CG2 THR B 2 167.328 -3.147 -4.476 1.00 3.02 C ATOM 0 H THR B 2 163.581 -4.644 -4.843 1.00 1.63 H new ATOM 0 HA THR B 2 166.062 -5.051 -3.259 1.00 1.44 H new ATOM 0 HB THR B 2 165.288 -2.633 -4.916 1.00 2.22 H new ATOM 0 HG1 THR B 2 166.208 -3.802 -6.714 1.00 2.78 H new ATOM 0 HG21 THR B 2 167.731 -2.567 -5.306 1.00 3.02 H new ATOM 0 HG22 THR B 2 167.359 -2.548 -3.566 1.00 3.02 H new ATOM 0 HG23 THR B 2 167.927 -4.047 -4.338 1.00 3.02 H new ATOM 1439 N THR B 3 163.620 -3.403 -2.161 1.00 0.96 N ATOM 1440 CA THR B 3 163.129 -2.519 -1.066 1.00 0.76 C ATOM 1441 C THR B 3 163.605 -3.056 0.288 1.00 0.69 C ATOM 1442 O THR B 3 164.042 -4.183 0.403 1.00 0.75 O ATOM 1443 CB THR B 3 161.599 -2.475 -1.095 1.00 0.69 C ATOM 1444 OG1 THR B 3 161.090 -3.795 -1.222 1.00 0.80 O ATOM 1445 CG2 THR B 3 161.131 -1.626 -2.278 1.00 0.76 C ATOM 0 H THR B 3 162.901 -3.969 -2.613 1.00 0.96 H new ATOM 0 HA THR B 3 163.524 -1.513 -1.209 1.00 0.76 H new ATOM 0 HB THR B 3 161.231 -2.033 -0.169 1.00 0.69 H new ATOM 0 HG1 THR B 3 160.557 -3.863 -2.042 1.00 0.80 H new ATOM 0 HG21 THR B 3 160.042 -1.596 -2.296 1.00 0.76 H new ATOM 0 HG22 THR B 3 161.520 -0.613 -2.175 1.00 0.76 H new ATOM 0 HG23 THR B 3 161.498 -2.063 -3.207 1.00 0.76 H new ATOM 1453 N SER B 4 163.528 -2.247 1.311 1.00 0.63 N ATOM 1454 CA SER B 4 163.981 -2.692 2.662 1.00 0.62 C ATOM 1455 C SER B 4 163.138 -3.883 3.132 1.00 0.60 C ATOM 1456 O SER B 4 162.148 -4.243 2.527 1.00 0.58 O ATOM 1457 CB SER B 4 163.824 -1.536 3.649 1.00 0.63 C ATOM 1458 OG SER B 4 162.444 -1.218 3.784 1.00 1.50 O ATOM 0 H SER B 4 163.169 -1.293 1.269 1.00 0.63 H new ATOM 0 HA SER B 4 165.027 -2.996 2.610 1.00 0.62 H new ATOM 0 HB2 SER B 4 164.242 -1.810 4.617 1.00 0.63 H new ATOM 0 HB3 SER B 4 164.377 -0.665 3.298 1.00 0.63 H new ATOM 0 HG SER B 4 162.339 -0.478 4.418 1.00 1.50 H new ATOM 1464 N GLN B 5 163.550 -4.506 4.207 1.00 0.63 N ATOM 1465 CA GLN B 5 162.814 -5.694 4.734 1.00 0.64 C ATOM 1466 C GLN B 5 161.362 -5.336 5.048 1.00 0.60 C ATOM 1467 O GLN B 5 160.510 -6.195 5.142 1.00 0.60 O ATOM 1468 CB GLN B 5 163.515 -6.207 6.002 1.00 0.71 C ATOM 1469 CG GLN B 5 163.552 -5.116 7.085 1.00 1.34 C ATOM 1470 CD GLN B 5 164.589 -4.051 6.716 1.00 1.59 C ATOM 1471 OE1 GLN B 5 165.709 -4.411 6.152 1.00 2.09 O flip ATOM 1472 NE2 GLN B 5 164.378 -2.877 6.951 1.00 2.18 N flip ATOM 0 H GLN B 5 164.373 -4.239 4.747 1.00 0.63 H new ATOM 0 HA GLN B 5 162.816 -6.475 3.974 1.00 0.64 H new ATOM 0 HB2 GLN B 5 162.993 -7.085 6.382 1.00 0.71 H new ATOM 0 HB3 GLN B 5 164.531 -6.520 5.760 1.00 0.71 H new ATOM 0 HG2 GLN B 5 162.568 -4.658 7.186 1.00 1.34 H new ATOM 0 HG3 GLN B 5 163.799 -5.558 8.050 1.00 1.34 H new ATOM 0 HE21 GLN B 5 163.503 -2.594 7.392 1.00 2.18 H new ATOM 0 HE22 GLN B 5 165.076 -2.175 6.707 1.00 2.18 H new ATOM 1481 N LYS B 6 161.069 -4.076 5.217 1.00 0.59 N ATOM 1482 CA LYS B 6 159.672 -3.672 5.529 1.00 0.57 C ATOM 1483 C LYS B 6 158.759 -4.094 4.380 1.00 0.51 C ATOM 1484 O LYS B 6 157.635 -4.505 4.587 1.00 0.50 O ATOM 1485 CB LYS B 6 159.608 -2.152 5.684 1.00 0.58 C ATOM 1486 CG LYS B 6 160.337 -1.734 6.960 1.00 0.66 C ATOM 1487 CD LYS B 6 160.269 -0.212 7.107 1.00 0.80 C ATOM 1488 CE LYS B 6 160.996 0.211 8.384 1.00 1.25 C ATOM 1489 NZ LYS B 6 160.152 -0.120 9.564 1.00 2.01 N ATOM 0 H LYS B 6 161.738 -3.309 5.152 1.00 0.59 H new ATOM 0 HA LYS B 6 159.350 -4.151 6.454 1.00 0.57 H new ATOM 0 HB2 LYS B 6 160.063 -1.669 4.819 1.00 0.58 H new ATOM 0 HB3 LYS B 6 158.569 -1.824 5.723 1.00 0.58 H new ATOM 0 HG2 LYS B 6 159.883 -2.215 7.826 1.00 0.66 H new ATOM 0 HG3 LYS B 6 161.376 -2.061 6.922 1.00 0.66 H new ATOM 0 HD2 LYS B 6 160.724 0.268 6.241 1.00 0.80 H new ATOM 0 HD3 LYS B 6 159.230 0.114 7.143 1.00 0.80 H new ATOM 0 HE2 LYS B 6 161.957 -0.299 8.455 1.00 1.25 H new ATOM 0 HE3 LYS B 6 161.204 1.281 8.360 1.00 1.25 H new ATOM 0 HZ1 LYS B 6 160.551 0.329 10.413 1.00 2.01 H new ATOM 0 HZ2 LYS B 6 159.185 0.231 9.409 1.00 2.01 H new ATOM 0 HZ3 LYS B 6 160.129 -1.151 9.696 1.00 2.01 H new ATOM 1503 N HIS B 7 159.222 -3.973 3.168 1.00 0.49 N ATOM 1504 CA HIS B 7 158.363 -4.346 2.012 1.00 0.45 C ATOM 1505 C HIS B 7 157.954 -5.817 2.096 1.00 0.45 C ATOM 1506 O HIS B 7 156.785 -6.143 2.042 1.00 0.43 O ATOM 1507 CB HIS B 7 159.133 -4.094 0.709 1.00 0.45 C ATOM 1508 CG HIS B 7 158.388 -4.686 -0.461 1.00 0.42 C ATOM 1509 ND1 HIS B 7 157.603 -3.918 -1.314 1.00 0.39 N ATOM 1510 CD2 HIS B 7 158.298 -5.973 -0.929 1.00 0.45 C ATOM 1511 CE1 HIS B 7 157.085 -4.749 -2.242 1.00 0.38 C ATOM 1512 NE2 HIS B 7 157.478 -6.007 -2.049 1.00 0.42 N ATOM 0 H HIS B 7 160.154 -3.634 2.929 1.00 0.49 H new ATOM 0 HA HIS B 7 157.459 -3.737 2.031 1.00 0.45 H new ATOM 0 HB2 HIS B 7 159.267 -3.023 0.559 1.00 0.45 H new ATOM 0 HB3 HIS B 7 160.128 -4.534 0.776 1.00 0.45 H new ATOM 0 HD2 HIS B 7 158.790 -6.829 -0.492 1.00 0.45 H new ATOM 0 HE1 HIS B 7 156.432 -4.433 -3.042 1.00 0.38 H new ATOM 0 HE2 HIS B 7 157.229 -6.824 -2.607 1.00 0.42 H new ATOM 1520 N ARG B 8 158.900 -6.715 2.222 1.00 0.48 N ATOM 1521 CA ARG B 8 158.558 -8.159 2.299 1.00 0.50 C ATOM 1522 C ARG B 8 157.872 -8.467 3.627 1.00 0.51 C ATOM 1523 O ARG B 8 156.979 -9.287 3.698 1.00 0.51 O ATOM 1524 CB ARG B 8 159.835 -8.995 2.179 1.00 0.55 C ATOM 1525 CG ARG B 8 160.380 -8.898 0.752 1.00 0.57 C ATOM 1526 CD ARG B 8 161.640 -9.754 0.628 1.00 1.00 C ATOM 1527 NE ARG B 8 162.750 -9.146 1.436 1.00 1.70 N ATOM 1528 CZ ARG B 8 163.215 -7.954 1.176 1.00 2.29 C ATOM 1529 NH1 ARG B 8 162.835 -7.315 0.103 1.00 2.43 N ATOM 1530 NH2 ARG B 8 164.099 -7.418 1.970 1.00 3.23 N ATOM 0 H ARG B 8 159.897 -6.504 2.275 1.00 0.48 H new ATOM 0 HA ARG B 8 157.880 -8.406 1.482 1.00 0.50 H new ATOM 0 HB2 ARG B 8 160.582 -8.640 2.889 1.00 0.55 H new ATOM 0 HB3 ARG B 8 159.626 -10.035 2.429 1.00 0.55 H new ATOM 0 HG2 ARG B 8 159.627 -9.235 0.040 1.00 0.57 H new ATOM 0 HG3 ARG B 8 160.607 -7.860 0.508 1.00 0.57 H new ATOM 0 HD2 ARG B 8 161.438 -10.767 0.975 1.00 1.00 H new ATOM 0 HD3 ARG B 8 161.938 -9.829 -0.418 1.00 1.00 H new ATOM 0 HE ARG B 8 163.151 -9.678 2.208 1.00 1.70 H new ATOM 0 HH11 ARG B 8 162.170 -7.747 -0.539 1.00 2.43 H new ATOM 0 HH12 ARG B 8 163.203 -6.384 -0.093 1.00 2.43 H new ATOM 0 HH21 ARG B 8 164.424 -7.930 2.790 1.00 3.23 H new ATOM 0 HH22 ARG B 8 164.465 -6.487 1.771 1.00 3.23 H new ATOM 1544 N ASP B 9 158.273 -7.810 4.677 1.00 0.52 N ATOM 1545 CA ASP B 9 157.636 -8.058 5.997 1.00 0.54 C ATOM 1546 C ASP B 9 156.211 -7.508 5.991 1.00 0.49 C ATOM 1547 O ASP B 9 155.302 -8.102 6.536 1.00 0.48 O ATOM 1548 CB ASP B 9 158.450 -7.388 7.104 1.00 0.61 C ATOM 1549 CG ASP B 9 159.777 -8.129 7.278 1.00 0.68 C ATOM 1550 OD1 ASP B 9 159.863 -9.263 6.835 1.00 0.67 O ATOM 1551 OD2 ASP B 9 160.684 -7.555 7.859 1.00 0.76 O ATOM 0 H ASP B 9 159.016 -7.111 4.678 1.00 0.52 H new ATOM 0 HA ASP B 9 157.605 -9.131 6.184 1.00 0.54 H new ATOM 0 HB2 ASP B 9 158.634 -6.343 6.854 1.00 0.61 H new ATOM 0 HB3 ASP B 9 157.890 -7.398 8.039 1.00 0.61 H new ATOM 1556 N PHE B 10 156.013 -6.364 5.393 1.00 0.46 N ATOM 1557 CA PHE B 10 154.651 -5.764 5.372 1.00 0.43 C ATOM 1558 C PHE B 10 153.683 -6.700 4.640 1.00 0.37 C ATOM 1559 O PHE B 10 152.581 -6.939 5.091 1.00 0.36 O ATOM 1560 CB PHE B 10 154.706 -4.412 4.657 1.00 0.45 C ATOM 1561 CG PHE B 10 153.344 -3.761 4.696 1.00 0.43 C ATOM 1562 CD1 PHE B 10 153.006 -2.918 5.762 1.00 0.44 C ATOM 1563 CD2 PHE B 10 152.424 -3.992 3.668 1.00 0.43 C ATOM 1564 CE1 PHE B 10 151.747 -2.309 5.800 1.00 0.44 C ATOM 1565 CE2 PHE B 10 151.164 -3.382 3.707 1.00 0.43 C ATOM 1566 CZ PHE B 10 150.826 -2.541 4.772 1.00 0.43 C ATOM 0 H PHE B 10 156.735 -5.821 4.919 1.00 0.46 H new ATOM 0 HA PHE B 10 154.300 -5.621 6.394 1.00 0.43 H new ATOM 0 HB2 PHE B 10 155.442 -3.766 5.135 1.00 0.45 H new ATOM 0 HB3 PHE B 10 155.025 -4.549 3.624 1.00 0.45 H new ATOM 0 HD1 PHE B 10 153.717 -2.738 6.555 1.00 0.44 H new ATOM 0 HD2 PHE B 10 152.685 -4.640 2.845 1.00 0.43 H new ATOM 0 HE1 PHE B 10 151.486 -1.660 6.623 1.00 0.44 H new ATOM 0 HE2 PHE B 10 150.453 -3.561 2.914 1.00 0.43 H new ATOM 0 HZ PHE B 10 149.854 -2.071 4.801 1.00 0.43 H new ATOM 1576 N VAL B 11 154.084 -7.237 3.518 1.00 0.37 N ATOM 1577 CA VAL B 11 153.182 -8.161 2.765 1.00 0.35 C ATOM 1578 C VAL B 11 153.294 -9.574 3.346 1.00 0.36 C ATOM 1579 O VAL B 11 152.869 -10.537 2.740 1.00 0.37 O ATOM 1580 CB VAL B 11 153.594 -8.187 1.292 1.00 0.37 C ATOM 1581 CG1 VAL B 11 153.502 -6.777 0.706 1.00 0.44 C ATOM 1582 CG2 VAL B 11 155.032 -8.693 1.183 1.00 0.40 C ATOM 0 H VAL B 11 154.996 -7.077 3.090 1.00 0.37 H new ATOM 0 HA VAL B 11 152.153 -7.812 2.852 1.00 0.35 H new ATOM 0 HB VAL B 11 152.928 -8.849 0.738 1.00 0.37 H new ATOM 0 HG11 VAL B 11 153.796 -6.799 -0.343 1.00 0.44 H new ATOM 0 HG12 VAL B 11 152.477 -6.415 0.788 1.00 0.44 H new ATOM 0 HG13 VAL B 11 154.167 -6.111 1.255 1.00 0.44 H new ATOM 0 HG21 VAL B 11 155.332 -8.714 0.135 1.00 0.40 H new ATOM 0 HG22 VAL B 11 155.695 -8.028 1.737 1.00 0.40 H new ATOM 0 HG23 VAL B 11 155.096 -9.698 1.599 1.00 0.40 H new ATOM 1592 N ALA B 12 153.859 -9.699 4.524 1.00 0.41 N ATOM 1593 CA ALA B 12 154.002 -11.045 5.170 1.00 0.47 C ATOM 1594 C ALA B 12 153.067 -11.159 6.376 1.00 0.45 C ATOM 1595 O ALA B 12 152.849 -12.235 6.900 1.00 0.48 O ATOM 1596 CB ALA B 12 155.445 -11.227 5.645 1.00 0.53 C ATOM 0 H ALA B 12 154.230 -8.921 5.070 1.00 0.41 H new ATOM 0 HA ALA B 12 153.744 -11.813 4.441 1.00 0.47 H new ATOM 0 HB1 ALA B 12 155.553 -12.204 6.115 1.00 0.53 H new ATOM 0 HB2 ALA B 12 156.120 -11.158 4.792 1.00 0.53 H new ATOM 0 HB3 ALA B 12 155.691 -10.448 6.367 1.00 0.53 H new ATOM 1602 N GLU B 13 152.509 -10.068 6.827 1.00 0.42 N ATOM 1603 CA GLU B 13 151.589 -10.134 8.003 1.00 0.43 C ATOM 1604 C GLU B 13 150.645 -8.920 7.985 1.00 0.39 C ATOM 1605 O GLU B 13 151.007 -7.868 7.495 1.00 0.36 O ATOM 1606 CB GLU B 13 152.419 -10.119 9.288 1.00 0.46 C ATOM 1607 CG GLU B 13 153.419 -8.962 9.236 1.00 0.48 C ATOM 1608 CD GLU B 13 154.082 -8.799 10.604 1.00 0.62 C ATOM 1609 OE1 GLU B 13 153.455 -8.224 11.479 1.00 1.27 O ATOM 1610 OE2 GLU B 13 155.205 -9.251 10.754 1.00 1.04 O ATOM 0 H GLU B 13 152.648 -9.137 6.435 1.00 0.42 H new ATOM 0 HA GLU B 13 150.998 -11.049 7.958 1.00 0.43 H new ATOM 0 HB2 GLU B 13 151.766 -10.011 10.154 1.00 0.46 H new ATOM 0 HB3 GLU B 13 152.947 -11.065 9.403 1.00 0.46 H new ATOM 0 HG2 GLU B 13 154.175 -9.154 8.474 1.00 0.48 H new ATOM 0 HG3 GLU B 13 152.910 -8.040 8.954 1.00 0.48 H new ATOM 1617 N PRO B 14 149.453 -9.041 8.531 1.00 0.42 N ATOM 1618 CA PRO B 14 148.487 -7.905 8.580 1.00 0.40 C ATOM 1619 C PRO B 14 149.187 -6.575 8.898 1.00 0.36 C ATOM 1620 O PRO B 14 150.251 -6.555 9.486 1.00 0.36 O ATOM 1621 CB PRO B 14 147.538 -8.304 9.713 1.00 0.45 C ATOM 1622 CG PRO B 14 147.513 -9.801 9.683 1.00 0.49 C ATOM 1623 CD PRO B 14 148.888 -10.255 9.158 1.00 0.48 C ATOM 0 HA PRO B 14 147.983 -7.742 7.627 1.00 0.40 H new ATOM 0 HB2 PRO B 14 147.893 -7.934 10.675 1.00 0.45 H new ATOM 0 HB3 PRO B 14 146.542 -7.889 9.559 1.00 0.45 H new ATOM 0 HG2 PRO B 14 147.326 -10.205 10.678 1.00 0.49 H new ATOM 0 HG3 PRO B 14 146.713 -10.162 9.036 1.00 0.49 H new ATOM 0 HD2 PRO B 14 149.523 -10.619 9.966 1.00 0.48 H new ATOM 0 HD3 PRO B 14 148.791 -11.068 8.438 1.00 0.48 H new ATOM 1631 N MET B 15 148.605 -5.465 8.522 1.00 0.35 N ATOM 1632 CA MET B 15 149.253 -4.150 8.816 1.00 0.34 C ATOM 1633 C MET B 15 148.751 -3.608 10.158 1.00 0.35 C ATOM 1634 O MET B 15 149.365 -2.749 10.761 1.00 0.37 O ATOM 1635 CB MET B 15 148.925 -3.145 7.705 1.00 0.36 C ATOM 1636 CG MET B 15 147.418 -3.125 7.438 1.00 0.40 C ATOM 1637 SD MET B 15 146.978 -1.547 6.656 1.00 0.56 S ATOM 1638 CE MET B 15 146.770 -2.148 4.962 1.00 0.42 C ATOM 0 H MET B 15 147.715 -5.411 8.027 1.00 0.35 H new ATOM 0 HA MET B 15 150.332 -4.294 8.866 1.00 0.34 H new ATOM 0 HB2 MET B 15 149.264 -2.150 7.993 1.00 0.36 H new ATOM 0 HB3 MET B 15 149.460 -3.412 6.793 1.00 0.36 H new ATOM 0 HG2 MET B 15 147.139 -3.957 6.791 1.00 0.40 H new ATOM 0 HG3 MET B 15 146.869 -3.249 8.371 1.00 0.40 H new ATOM 0 HE1 MET B 15 146.848 -1.312 4.267 1.00 0.42 H new ATOM 0 HE2 MET B 15 147.546 -2.879 4.738 1.00 0.42 H new ATOM 0 HE3 MET B 15 145.791 -2.615 4.859 1.00 0.42 H new ATOM 1648 N GLY B 16 147.641 -4.107 10.631 1.00 0.36 N ATOM 1649 CA GLY B 16 147.097 -3.626 11.935 1.00 0.39 C ATOM 1650 C GLY B 16 146.957 -2.101 11.907 1.00 0.38 C ATOM 1651 O GLY B 16 146.543 -1.525 10.922 1.00 0.37 O ATOM 0 H GLY B 16 147.086 -4.828 10.170 1.00 0.36 H new ATOM 0 HA2 GLY B 16 146.128 -4.086 12.127 1.00 0.39 H new ATOM 0 HA3 GLY B 16 147.759 -3.925 12.748 1.00 0.39 H new ATOM 1655 N GLU B 17 147.280 -1.448 12.995 1.00 0.40 N ATOM 1656 CA GLU B 17 147.149 0.043 13.064 1.00 0.41 C ATOM 1657 C GLU B 17 148.525 0.694 12.941 1.00 0.38 C ATOM 1658 O GLU B 17 148.771 1.749 13.491 1.00 0.39 O ATOM 1659 CB GLU B 17 146.527 0.432 14.407 1.00 0.46 C ATOM 1660 CG GLU B 17 145.059 0.003 14.434 1.00 0.50 C ATOM 1661 CD GLU B 17 144.443 0.373 15.785 1.00 0.55 C ATOM 1662 OE1 GLU B 17 145.165 0.884 16.623 1.00 0.73 O ATOM 1663 OE2 GLU B 17 143.258 0.135 15.957 1.00 0.84 O ATOM 0 H GLU B 17 147.632 -1.886 13.846 1.00 0.40 H new ATOM 0 HA GLU B 17 146.515 0.386 12.246 1.00 0.41 H new ATOM 0 HB2 GLU B 17 147.071 -0.044 15.223 1.00 0.46 H new ATOM 0 HB3 GLU B 17 146.605 1.509 14.557 1.00 0.46 H new ATOM 0 HG2 GLU B 17 144.512 0.491 13.627 1.00 0.50 H new ATOM 0 HG3 GLU B 17 144.980 -1.071 14.269 1.00 0.50 H new ATOM 1670 N LYS B 18 149.431 0.079 12.231 1.00 0.36 N ATOM 1671 CA LYS B 18 150.787 0.676 12.090 1.00 0.35 C ATOM 1672 C LYS B 18 150.644 2.059 11.432 1.00 0.31 C ATOM 1673 O LYS B 18 149.746 2.277 10.642 1.00 0.30 O ATOM 1674 CB LYS B 18 151.654 -0.229 11.201 1.00 0.35 C ATOM 1675 CG LYS B 18 151.883 -1.589 11.888 1.00 0.45 C ATOM 1676 CD LYS B 18 153.087 -1.509 12.838 1.00 1.16 C ATOM 1677 CE LYS B 18 153.247 -2.840 13.575 1.00 1.44 C ATOM 1678 NZ LYS B 18 153.503 -3.927 12.589 1.00 2.02 N ATOM 0 H LYS B 18 149.291 -0.807 11.745 1.00 0.36 H new ATOM 0 HA LYS B 18 151.259 0.774 13.068 1.00 0.35 H new ATOM 0 HB2 LYS B 18 151.167 -0.378 10.237 1.00 0.35 H new ATOM 0 HB3 LYS B 18 152.612 0.253 11.004 1.00 0.35 H new ATOM 0 HG2 LYS B 18 150.991 -1.878 12.444 1.00 0.45 H new ATOM 0 HG3 LYS B 18 152.054 -2.360 11.136 1.00 0.45 H new ATOM 0 HD2 LYS B 18 153.993 -1.282 12.276 1.00 1.16 H new ATOM 0 HD3 LYS B 18 152.945 -0.700 13.554 1.00 1.16 H new ATOM 0 HE2 LYS B 18 154.071 -2.778 14.285 1.00 1.44 H new ATOM 0 HE3 LYS B 18 152.347 -3.060 14.149 1.00 1.44 H new ATOM 0 HZ1 LYS B 18 153.907 -4.751 13.078 1.00 2.02 H new ATOM 0 HZ2 LYS B 18 152.609 -4.199 12.133 1.00 2.02 H new ATOM 0 HZ3 LYS B 18 154.172 -3.590 11.867 1.00 2.02 H new ATOM 1692 N PRO B 19 151.500 2.997 11.768 1.00 0.31 N ATOM 1693 CA PRO B 19 151.431 4.383 11.207 1.00 0.29 C ATOM 1694 C PRO B 19 151.657 4.417 9.690 1.00 0.25 C ATOM 1695 O PRO B 19 152.230 3.512 9.114 1.00 0.23 O ATOM 1696 CB PRO B 19 152.545 5.141 11.956 1.00 0.32 C ATOM 1697 CG PRO B 19 153.489 4.079 12.423 1.00 0.32 C ATOM 1698 CD PRO B 19 152.627 2.851 12.707 1.00 0.34 C ATOM 0 HA PRO B 19 150.445 4.827 11.345 1.00 0.29 H new ATOM 0 HB2 PRO B 19 153.046 5.854 11.301 1.00 0.32 H new ATOM 0 HB3 PRO B 19 152.142 5.707 12.795 1.00 0.32 H new ATOM 0 HG2 PRO B 19 154.240 3.862 11.664 1.00 0.32 H new ATOM 0 HG3 PRO B 19 154.023 4.397 13.318 1.00 0.32 H new ATOM 0 HD2 PRO B 19 153.177 1.926 12.533 1.00 0.34 H new ATOM 0 HD3 PRO B 19 152.287 2.830 13.742 1.00 0.34 H new ATOM 1706 N VAL B 20 151.202 5.456 9.044 1.00 0.24 N ATOM 1707 CA VAL B 20 151.375 5.558 7.567 1.00 0.22 C ATOM 1708 C VAL B 20 152.862 5.466 7.201 1.00 0.21 C ATOM 1709 O VAL B 20 153.250 4.731 6.315 1.00 0.22 O ATOM 1710 CB VAL B 20 150.781 6.886 7.065 1.00 0.26 C ATOM 1711 CG1 VAL B 20 151.247 8.048 7.946 1.00 0.32 C ATOM 1712 CG2 VAL B 20 151.225 7.141 5.620 1.00 0.28 C ATOM 0 H VAL B 20 150.716 6.241 9.477 1.00 0.24 H new ATOM 0 HA VAL B 20 150.850 4.732 7.088 1.00 0.22 H new ATOM 0 HB VAL B 20 149.694 6.817 7.110 1.00 0.26 H new ATOM 0 HG11 VAL B 20 150.818 8.979 7.577 1.00 0.32 H new ATOM 0 HG12 VAL B 20 150.921 7.880 8.972 1.00 0.32 H new ATOM 0 HG13 VAL B 20 152.335 8.113 7.917 1.00 0.32 H new ATOM 0 HG21 VAL B 20 150.801 8.082 5.270 1.00 0.28 H new ATOM 0 HG22 VAL B 20 152.313 7.195 5.578 1.00 0.28 H new ATOM 0 HG23 VAL B 20 150.877 6.328 4.983 1.00 0.28 H new ATOM 1722 N GLY B 21 153.694 6.224 7.869 1.00 0.22 N ATOM 1723 CA GLY B 21 155.152 6.204 7.556 1.00 0.21 C ATOM 1724 C GLY B 21 155.691 4.772 7.618 1.00 0.19 C ATOM 1725 O GLY B 21 156.844 4.527 7.326 1.00 0.19 O ATOM 0 H GLY B 21 153.423 6.858 8.621 1.00 0.22 H new ATOM 0 HA2 GLY B 21 155.323 6.621 6.564 1.00 0.21 H new ATOM 0 HA3 GLY B 21 155.691 6.833 8.264 1.00 0.21 H new ATOM 1729 N SER B 22 154.875 3.823 7.987 1.00 0.20 N ATOM 1730 CA SER B 22 155.361 2.415 8.053 1.00 0.20 C ATOM 1731 C SER B 22 155.297 1.796 6.654 1.00 0.19 C ATOM 1732 O SER B 22 155.964 0.822 6.364 1.00 0.20 O ATOM 1733 CB SER B 22 154.479 1.616 9.013 1.00 0.23 C ATOM 1734 OG SER B 22 155.137 0.402 9.357 1.00 1.24 O ATOM 0 H SER B 22 153.898 3.960 8.245 1.00 0.20 H new ATOM 0 HA SER B 22 156.390 2.396 8.413 1.00 0.20 H new ATOM 0 HB2 SER B 22 154.277 2.200 9.911 1.00 0.23 H new ATOM 0 HB3 SER B 22 153.517 1.402 8.548 1.00 0.23 H new ATOM 0 HG SER B 22 154.575 -0.112 9.974 1.00 1.24 H new ATOM 1740 N LEU B 23 154.498 2.354 5.785 1.00 0.18 N ATOM 1741 CA LEU B 23 154.389 1.801 4.405 1.00 0.18 C ATOM 1742 C LEU B 23 155.725 1.959 3.677 1.00 0.18 C ATOM 1743 O LEU B 23 156.400 2.963 3.791 1.00 0.18 O ATOM 1744 CB LEU B 23 153.302 2.551 3.631 1.00 0.19 C ATOM 1745 CG LEU B 23 151.919 2.246 4.225 1.00 0.21 C ATOM 1746 CD1 LEU B 23 150.881 3.156 3.558 1.00 0.23 C ATOM 1747 CD2 LEU B 23 151.542 0.769 3.988 1.00 0.24 C ATOM 0 H LEU B 23 153.915 3.170 5.972 1.00 0.18 H new ATOM 0 HA LEU B 23 154.130 0.744 4.466 1.00 0.18 H new ATOM 0 HB2 LEU B 23 153.493 3.623 3.669 1.00 0.19 H new ATOM 0 HB3 LEU B 23 153.327 2.260 2.581 1.00 0.19 H new ATOM 0 HG LEU B 23 151.942 2.428 5.299 1.00 0.21 H new ATOM 0 HD11 LEU B 23 149.895 2.948 3.973 1.00 0.23 H new ATOM 0 HD12 LEU B 23 151.139 4.199 3.742 1.00 0.23 H new ATOM 0 HD13 LEU B 23 150.870 2.969 2.484 1.00 0.23 H new ATOM 0 HD21 LEU B 23 150.559 0.571 4.416 1.00 0.24 H new ATOM 0 HD22 LEU B 23 151.519 0.567 2.917 1.00 0.24 H new ATOM 0 HD23 LEU B 23 152.281 0.124 4.464 1.00 0.24 H new ATOM 1759 N ALA B 24 156.101 0.965 2.929 1.00 0.18 N ATOM 1760 CA ALA B 24 157.388 1.037 2.183 1.00 0.19 C ATOM 1761 C ALA B 24 157.330 2.145 1.124 1.00 0.19 C ATOM 1762 O ALA B 24 156.383 2.262 0.371 1.00 0.20 O ATOM 1763 CB ALA B 24 157.655 -0.304 1.497 1.00 0.21 C ATOM 0 H ALA B 24 155.573 0.102 2.800 1.00 0.18 H new ATOM 0 HA ALA B 24 158.190 1.260 2.886 1.00 0.19 H new ATOM 0 HB1 ALA B 24 158.597 -0.252 0.951 1.00 0.21 H new ATOM 0 HB2 ALA B 24 157.714 -1.092 2.248 1.00 0.21 H new ATOM 0 HB3 ALA B 24 156.845 -0.525 0.803 1.00 0.21 H new ATOM 1769 N GLY B 25 158.354 2.956 1.073 1.00 0.20 N ATOM 1770 CA GLY B 25 158.401 4.072 0.074 1.00 0.21 C ATOM 1771 C GLY B 25 158.033 5.394 0.755 1.00 0.20 C ATOM 1772 O GLY B 25 158.358 6.459 0.270 1.00 0.22 O ATOM 0 H GLY B 25 159.168 2.895 1.685 1.00 0.20 H new ATOM 0 HA2 GLY B 25 159.398 4.142 -0.361 1.00 0.21 H new ATOM 0 HA3 GLY B 25 157.710 3.869 -0.744 1.00 0.21 H new ATOM 1776 N ILE B 26 157.369 5.337 1.880 1.00 0.20 N ATOM 1777 CA ILE B 26 156.993 6.592 2.603 1.00 0.21 C ATOM 1778 C ILE B 26 157.994 6.802 3.739 1.00 0.23 C ATOM 1779 O ILE B 26 158.082 5.997 4.644 1.00 0.25 O ATOM 1780 CB ILE B 26 155.584 6.445 3.184 1.00 0.22 C ATOM 1781 CG1 ILE B 26 154.612 6.000 2.081 1.00 0.22 C ATOM 1782 CG2 ILE B 26 155.126 7.784 3.767 1.00 0.24 C ATOM 1783 CD1 ILE B 26 154.690 6.950 0.879 1.00 0.24 C ATOM 0 H ILE B 26 157.069 4.473 2.332 1.00 0.20 H new ATOM 0 HA ILE B 26 157.008 7.442 1.921 1.00 0.21 H new ATOM 0 HB ILE B 26 155.597 5.694 3.974 1.00 0.22 H new ATOM 0 HG12 ILE B 26 154.852 4.985 1.765 1.00 0.22 H new ATOM 0 HG13 ILE B 26 153.594 5.981 2.471 1.00 0.22 H new ATOM 0 HG21 ILE B 26 154.123 7.677 4.180 1.00 0.24 H new ATOM 0 HG22 ILE B 26 155.812 8.091 4.556 1.00 0.24 H new ATOM 0 HG23 ILE B 26 155.116 8.539 2.981 1.00 0.24 H new ATOM 0 HD11 ILE B 26 153.995 6.619 0.108 1.00 0.24 H new ATOM 0 HD12 ILE B 26 154.427 7.959 1.195 1.00 0.24 H new ATOM 0 HD13 ILE B 26 155.704 6.948 0.479 1.00 0.24 H new ATOM 1795 N GLY B 27 158.753 7.868 3.714 1.00 0.24 N ATOM 1796 CA GLY B 27 159.742 8.103 4.808 1.00 0.27 C ATOM 1797 C GLY B 27 159.111 8.976 5.895 1.00 0.28 C ATOM 1798 O GLY B 27 157.982 9.410 5.783 1.00 0.27 O ATOM 0 H GLY B 27 158.731 8.583 2.987 1.00 0.24 H new ATOM 0 HA2 GLY B 27 160.062 7.151 5.233 1.00 0.27 H new ATOM 0 HA3 GLY B 27 160.632 8.589 4.409 1.00 0.27 H new ATOM 1802 N GLU B 28 159.831 9.229 6.952 1.00 0.30 N ATOM 1803 CA GLU B 28 159.269 10.063 8.050 1.00 0.32 C ATOM 1804 C GLU B 28 158.856 11.434 7.506 1.00 0.32 C ATOM 1805 O GLU B 28 157.837 11.975 7.882 1.00 0.35 O ATOM 1806 CB GLU B 28 160.315 10.245 9.151 1.00 0.36 C ATOM 1807 CG GLU B 28 160.532 8.916 9.877 1.00 0.39 C ATOM 1808 CD GLU B 28 161.580 9.101 10.977 1.00 1.27 C ATOM 1809 OE1 GLU B 28 162.196 10.152 11.009 1.00 2.00 O ATOM 1810 OE2 GLU B 28 161.748 8.187 11.766 1.00 1.64 O ATOM 0 H GLU B 28 160.783 8.895 7.103 1.00 0.30 H new ATOM 0 HA GLU B 28 158.394 9.561 8.462 1.00 0.32 H new ATOM 0 HB2 GLU B 28 161.254 10.593 8.721 1.00 0.36 H new ATOM 0 HB3 GLU B 28 159.986 11.007 9.857 1.00 0.36 H new ATOM 0 HG2 GLU B 28 159.594 8.568 10.309 1.00 0.39 H new ATOM 0 HG3 GLU B 28 160.861 8.153 9.171 1.00 0.39 H new ATOM 1817 N VAL B 29 159.638 12.006 6.630 1.00 0.31 N ATOM 1818 CA VAL B 29 159.274 13.344 6.081 1.00 0.33 C ATOM 1819 C VAL B 29 157.982 13.219 5.271 1.00 0.33 C ATOM 1820 O VAL B 29 157.062 14.000 5.417 1.00 0.35 O ATOM 1821 CB VAL B 29 160.406 13.848 5.176 1.00 0.34 C ATOM 1822 CG1 VAL B 29 159.952 15.100 4.418 1.00 0.38 C ATOM 1823 CG2 VAL B 29 161.630 14.188 6.030 1.00 0.35 C ATOM 0 H VAL B 29 160.507 11.608 6.273 1.00 0.31 H new ATOM 0 HA VAL B 29 159.125 14.051 6.897 1.00 0.33 H new ATOM 0 HB VAL B 29 160.663 13.068 4.459 1.00 0.34 H new ATOM 0 HG11 VAL B 29 160.761 15.451 3.778 1.00 0.38 H new ATOM 0 HG12 VAL B 29 159.083 14.859 3.805 1.00 0.38 H new ATOM 0 HG13 VAL B 29 159.688 15.881 5.131 1.00 0.38 H new ATOM 0 HG21 VAL B 29 162.434 14.546 5.387 1.00 0.35 H new ATOM 0 HG22 VAL B 29 161.368 14.964 6.749 1.00 0.35 H new ATOM 0 HG23 VAL B 29 161.961 13.296 6.563 1.00 0.35 H new ATOM 1833 N LEU B 30 157.911 12.240 4.415 1.00 0.32 N ATOM 1834 CA LEU B 30 156.689 12.052 3.586 1.00 0.33 C ATOM 1835 C LEU B 30 155.511 11.705 4.490 1.00 0.32 C ATOM 1836 O LEU B 30 154.400 12.153 4.288 1.00 0.33 O ATOM 1837 CB LEU B 30 156.909 10.904 2.599 1.00 0.33 C ATOM 1838 CG LEU B 30 157.993 11.279 1.583 1.00 0.35 C ATOM 1839 CD1 LEU B 30 158.335 10.046 0.744 1.00 0.36 C ATOM 1840 CD2 LEU B 30 157.502 12.414 0.662 1.00 0.40 C ATOM 0 H LEU B 30 158.651 11.558 4.253 1.00 0.32 H new ATOM 0 HA LEU B 30 156.481 12.973 3.041 1.00 0.33 H new ATOM 0 HB2 LEU B 30 157.202 10.003 3.138 1.00 0.33 H new ATOM 0 HB3 LEU B 30 155.977 10.677 2.081 1.00 0.33 H new ATOM 0 HG LEU B 30 158.878 11.626 2.116 1.00 0.35 H new ATOM 0 HD11 LEU B 30 159.106 10.303 0.017 1.00 0.36 H new ATOM 0 HD12 LEU B 30 158.700 9.252 1.396 1.00 0.36 H new ATOM 0 HD13 LEU B 30 157.443 9.703 0.220 1.00 0.36 H new ATOM 0 HD21 LEU B 30 158.285 12.667 -0.053 1.00 0.40 H new ATOM 0 HD22 LEU B 30 156.612 12.087 0.125 1.00 0.40 H new ATOM 0 HD23 LEU B 30 157.262 13.291 1.262 1.00 0.40 H new ATOM 1852 N GLY B 31 155.750 10.902 5.483 1.00 0.33 N ATOM 1853 CA GLY B 31 154.651 10.513 6.403 1.00 0.34 C ATOM 1854 C GLY B 31 154.066 11.756 7.076 1.00 0.35 C ATOM 1855 O GLY B 31 152.874 11.870 7.244 1.00 0.36 O ATOM 0 H GLY B 31 156.661 10.497 5.698 1.00 0.33 H new ATOM 0 HA2 GLY B 31 153.872 9.988 5.850 1.00 0.34 H new ATOM 0 HA3 GLY B 31 155.026 9.823 7.159 1.00 0.34 H new ATOM 1859 N LYS B 32 154.889 12.687 7.471 1.00 0.35 N ATOM 1860 CA LYS B 32 154.352 13.904 8.149 1.00 0.37 C ATOM 1861 C LYS B 32 153.389 14.650 7.226 1.00 0.37 C ATOM 1862 O LYS B 32 152.376 15.158 7.663 1.00 0.38 O ATOM 1863 CB LYS B 32 155.514 14.830 8.520 1.00 0.40 C ATOM 1864 CG LYS B 32 154.986 16.023 9.324 1.00 1.18 C ATOM 1865 CD LYS B 32 156.149 16.947 9.692 1.00 1.36 C ATOM 1866 CE LYS B 32 155.642 18.067 10.602 1.00 2.07 C ATOM 1867 NZ LYS B 32 155.175 17.482 11.892 1.00 2.75 N ATOM 0 H LYS B 32 155.902 12.661 7.356 1.00 0.35 H new ATOM 0 HA LYS B 32 153.815 13.598 9.047 1.00 0.37 H new ATOM 0 HB2 LYS B 32 156.255 14.284 9.105 1.00 0.40 H new ATOM 0 HB3 LYS B 32 156.015 15.180 7.618 1.00 0.40 H new ATOM 0 HG2 LYS B 32 154.245 16.569 8.740 1.00 1.18 H new ATOM 0 HG3 LYS B 32 154.486 15.673 10.227 1.00 1.18 H new ATOM 0 HD2 LYS B 32 156.932 16.381 10.196 1.00 1.36 H new ATOM 0 HD3 LYS B 32 156.592 17.369 8.790 1.00 1.36 H new ATOM 0 HE2 LYS B 32 156.437 18.791 10.784 1.00 2.07 H new ATOM 0 HE3 LYS B 32 154.827 18.604 10.117 1.00 2.07 H new ATOM 0 HZ1 LYS B 32 155.216 18.207 12.637 1.00 2.75 H new ATOM 0 HZ2 LYS B 32 154.196 17.148 11.787 1.00 2.75 H new ATOM 0 HZ3 LYS B 32 155.787 16.683 12.152 1.00 2.75 H new ATOM 1881 N LYS B 33 153.692 14.745 5.967 1.00 0.35 N ATOM 1882 CA LYS B 33 152.773 15.488 5.063 1.00 0.36 C ATOM 1883 C LYS B 33 151.447 14.730 4.934 1.00 0.34 C ATOM 1884 O LYS B 33 150.386 15.309 5.031 1.00 0.36 O ATOM 1885 CB LYS B 33 153.428 15.628 3.689 1.00 0.36 C ATOM 1886 CG LYS B 33 154.607 16.597 3.798 1.00 0.39 C ATOM 1887 CD LYS B 33 155.279 16.753 2.433 1.00 0.64 C ATOM 1888 CE LYS B 33 156.457 17.724 2.555 1.00 0.66 C ATOM 1889 NZ LYS B 33 155.948 19.103 2.800 1.00 1.56 N ATOM 0 H LYS B 33 154.522 14.348 5.527 1.00 0.35 H new ATOM 0 HA LYS B 33 152.574 16.478 5.475 1.00 0.36 H new ATOM 0 HB2 LYS B 33 153.771 14.656 3.334 1.00 0.36 H new ATOM 0 HB3 LYS B 33 152.704 15.996 2.962 1.00 0.36 H new ATOM 0 HG2 LYS B 33 154.260 17.567 4.156 1.00 0.39 H new ATOM 0 HG3 LYS B 33 155.327 16.227 4.528 1.00 0.39 H new ATOM 0 HD2 LYS B 33 155.627 15.785 2.074 1.00 0.64 H new ATOM 0 HD3 LYS B 33 154.561 17.125 1.702 1.00 0.64 H new ATOM 0 HE2 LYS B 33 157.111 17.417 3.371 1.00 0.66 H new ATOM 0 HE3 LYS B 33 157.054 17.703 1.643 1.00 0.66 H new ATOM 0 HZ1 LYS B 33 156.701 19.792 2.598 1.00 1.56 H new ATOM 0 HZ2 LYS B 33 155.134 19.288 2.179 1.00 1.56 H new ATOM 0 HZ3 LYS B 33 155.653 19.193 3.793 1.00 1.56 H new ATOM 1903 N LEU B 34 151.491 13.441 4.730 1.00 0.32 N ATOM 1904 CA LEU B 34 150.219 12.670 4.610 1.00 0.31 C ATOM 1905 C LEU B 34 149.430 12.749 5.927 1.00 0.31 C ATOM 1906 O LEU B 34 148.224 12.897 5.930 1.00 0.32 O ATOM 1907 CB LEU B 34 150.542 11.211 4.264 1.00 0.28 C ATOM 1908 CG LEU B 34 151.169 11.133 2.861 1.00 0.29 C ATOM 1909 CD1 LEU B 34 151.760 9.734 2.649 1.00 0.29 C ATOM 1910 CD2 LEU B 34 150.106 11.410 1.774 1.00 0.33 C ATOM 0 H LEU B 34 152.346 12.891 4.642 1.00 0.32 H new ATOM 0 HA LEU B 34 149.606 13.097 3.816 1.00 0.31 H new ATOM 0 HB2 LEU B 34 151.228 10.796 5.002 1.00 0.28 H new ATOM 0 HB3 LEU B 34 149.634 10.610 4.300 1.00 0.28 H new ATOM 0 HG LEU B 34 151.953 11.886 2.784 1.00 0.29 H new ATOM 0 HD11 LEU B 34 152.205 9.674 1.656 1.00 0.29 H new ATOM 0 HD12 LEU B 34 152.525 9.544 3.402 1.00 0.29 H new ATOM 0 HD13 LEU B 34 150.970 8.988 2.738 1.00 0.29 H new ATOM 0 HD21 LEU B 34 150.569 11.350 0.789 1.00 0.33 H new ATOM 0 HD22 LEU B 34 149.310 10.669 1.846 1.00 0.33 H new ATOM 0 HD23 LEU B 34 149.688 12.406 1.919 1.00 0.33 H new ATOM 1922 N GLU B 35 150.101 12.648 7.045 1.00 0.31 N ATOM 1923 CA GLU B 35 149.364 12.717 8.348 1.00 0.34 C ATOM 1924 C GLU B 35 148.646 14.062 8.454 1.00 0.37 C ATOM 1925 O GLU B 35 147.519 14.145 8.902 1.00 0.39 O ATOM 1926 CB GLU B 35 150.334 12.574 9.525 1.00 0.35 C ATOM 1927 CG GLU B 35 150.874 11.145 9.589 1.00 0.92 C ATOM 1928 CD GLU B 35 151.840 11.019 10.769 1.00 1.02 C ATOM 1929 OE1 GLU B 35 152.181 12.041 11.342 1.00 1.35 O ATOM 1930 OE2 GLU B 35 152.221 9.902 11.079 1.00 1.68 O ATOM 0 H GLU B 35 151.111 12.523 7.116 1.00 0.31 H new ATOM 0 HA GLU B 35 148.642 11.901 8.383 1.00 0.34 H new ATOM 0 HB2 GLU B 35 151.159 13.278 9.415 1.00 0.35 H new ATOM 0 HB3 GLU B 35 149.826 12.821 10.457 1.00 0.35 H new ATOM 0 HG2 GLU B 35 150.052 10.438 9.701 1.00 0.92 H new ATOM 0 HG3 GLU B 35 151.384 10.895 8.659 1.00 0.92 H new ATOM 1937 N GLU B 36 149.289 15.116 8.038 1.00 0.39 N ATOM 1938 CA GLU B 36 148.649 16.460 8.105 1.00 0.44 C ATOM 1939 C GLU B 36 147.471 16.488 7.135 1.00 0.45 C ATOM 1940 O GLU B 36 146.585 17.314 7.235 1.00 0.49 O ATOM 1941 CB GLU B 36 149.669 17.535 7.715 1.00 0.46 C ATOM 1942 CG GLU B 36 149.014 18.916 7.806 1.00 1.11 C ATOM 1943 CD GLU B 36 150.060 20.000 7.536 1.00 1.38 C ATOM 1944 OE1 GLU B 36 151.219 19.652 7.384 1.00 1.85 O ATOM 1945 OE2 GLU B 36 149.683 21.160 7.488 1.00 1.99 O ATOM 0 H GLU B 36 150.233 15.105 7.653 1.00 0.39 H new ATOM 0 HA GLU B 36 148.299 16.657 9.118 1.00 0.44 H new ATOM 0 HB2 GLU B 36 150.535 17.487 8.376 1.00 0.46 H new ATOM 0 HB3 GLU B 36 150.031 17.358 6.702 1.00 0.46 H new ATOM 0 HG2 GLU B 36 148.202 18.992 7.083 1.00 1.11 H new ATOM 0 HG3 GLU B 36 148.576 19.057 8.794 1.00 1.11 H new ATOM 1952 N ARG B 37 147.460 15.592 6.189 1.00 0.42 N ATOM 1953 CA ARG B 37 146.346 15.567 5.198 1.00 0.45 C ATOM 1954 C ARG B 37 145.220 14.646 5.682 1.00 0.42 C ATOM 1955 O ARG B 37 144.244 14.441 4.989 1.00 0.43 O ATOM 1956 CB ARG B 37 146.867 15.084 3.845 1.00 0.45 C ATOM 1957 CG ARG B 37 147.774 16.158 3.239 1.00 0.52 C ATOM 1958 CD ARG B 37 148.224 15.706 1.852 1.00 0.86 C ATOM 1959 NE ARG B 37 149.380 16.544 1.385 1.00 1.42 N ATOM 1960 CZ ARG B 37 149.295 17.844 1.291 1.00 1.87 C ATOM 1961 NH1 ARG B 37 148.150 18.447 1.447 1.00 2.15 N ATOM 1962 NH2 ARG B 37 150.357 18.541 0.985 1.00 2.68 N ATOM 0 H ARG B 37 148.174 14.875 6.058 1.00 0.42 H new ATOM 0 HA ARG B 37 145.949 16.577 5.092 1.00 0.45 H new ATOM 0 HB2 ARG B 37 147.419 14.152 3.967 1.00 0.45 H new ATOM 0 HB3 ARG B 37 146.033 14.875 3.175 1.00 0.45 H new ATOM 0 HG2 ARG B 37 147.241 17.106 3.171 1.00 0.52 H new ATOM 0 HG3 ARG B 37 148.640 16.325 3.880 1.00 0.52 H new ATOM 0 HD2 ARG B 37 148.514 14.656 1.880 1.00 0.86 H new ATOM 0 HD3 ARG B 37 147.396 15.790 1.148 1.00 0.86 H new ATOM 0 HE ARG B 37 150.256 16.085 1.134 1.00 1.42 H new ATOM 0 HH11 ARG B 37 147.310 17.903 1.644 1.00 2.15 H new ATOM 0 HH12 ARG B 37 148.094 19.463 1.372 1.00 2.15 H new ATOM 0 HH21 ARG B 37 151.247 18.070 0.821 1.00 2.68 H new ATOM 0 HH22 ARG B 37 150.296 19.556 0.910 1.00 2.68 H new ATOM 1976 N GLY B 38 145.318 14.126 6.886 1.00 0.41 N ATOM 1977 CA GLY B 38 144.215 13.264 7.427 1.00 0.39 C ATOM 1978 C GLY B 38 144.550 11.771 7.332 1.00 0.37 C ATOM 1979 O GLY B 38 143.714 10.937 7.617 1.00 0.49 O ATOM 0 H GLY B 38 146.110 14.261 7.514 1.00 0.41 H new ATOM 0 HA2 GLY B 38 144.027 13.527 8.468 1.00 0.39 H new ATOM 0 HA3 GLY B 38 143.296 13.465 6.877 1.00 0.39 H new ATOM 1983 N PHE B 39 145.752 11.412 6.959 1.00 0.31 N ATOM 1984 CA PHE B 39 146.113 9.959 6.877 1.00 0.28 C ATOM 1985 C PHE B 39 146.947 9.592 8.108 1.00 0.28 C ATOM 1986 O PHE B 39 148.147 9.415 8.025 1.00 0.28 O ATOM 1987 CB PHE B 39 146.961 9.724 5.625 1.00 0.27 C ATOM 1988 CG PHE B 39 146.126 9.921 4.382 1.00 0.28 C ATOM 1989 CD1 PHE B 39 145.970 11.202 3.841 1.00 0.31 C ATOM 1990 CD2 PHE B 39 145.518 8.822 3.762 1.00 0.27 C ATOM 1991 CE1 PHE B 39 145.204 11.385 2.683 1.00 0.33 C ATOM 1992 CE2 PHE B 39 144.751 9.005 2.605 1.00 0.30 C ATOM 1993 CZ PHE B 39 144.594 10.286 2.065 1.00 0.32 C ATOM 0 H PHE B 39 146.500 12.059 6.708 1.00 0.31 H new ATOM 0 HA PHE B 39 145.209 9.352 6.835 1.00 0.28 H new ATOM 0 HB2 PHE B 39 147.807 10.412 5.616 1.00 0.27 H new ATOM 0 HB3 PHE B 39 147.371 8.714 5.640 1.00 0.27 H new ATOM 0 HD1 PHE B 39 146.440 12.050 4.317 1.00 0.31 H new ATOM 0 HD2 PHE B 39 145.641 7.832 4.177 1.00 0.27 H new ATOM 0 HE1 PHE B 39 145.084 12.374 2.266 1.00 0.33 H new ATOM 0 HE2 PHE B 39 144.281 8.157 2.129 1.00 0.30 H new ATOM 0 HZ PHE B 39 144.003 10.427 1.172 1.00 0.32 H new ATOM 2003 N ASP B 40 146.327 9.506 9.257 1.00 0.30 N ATOM 2004 CA ASP B 40 147.095 9.186 10.496 1.00 0.31 C ATOM 2005 C ASP B 40 147.407 7.687 10.567 1.00 0.29 C ATOM 2006 O ASP B 40 148.204 7.255 11.375 1.00 0.30 O ATOM 2007 CB ASP B 40 146.261 9.586 11.717 1.00 0.35 C ATOM 2008 CG ASP B 40 144.961 8.781 11.738 1.00 0.37 C ATOM 2009 OD1 ASP B 40 144.626 8.207 10.715 1.00 0.36 O ATOM 2010 OD2 ASP B 40 144.321 8.753 12.777 1.00 0.41 O ATOM 0 H ASP B 40 145.325 9.643 9.390 1.00 0.30 H new ATOM 0 HA ASP B 40 148.035 9.738 10.481 1.00 0.31 H new ATOM 0 HB2 ASP B 40 146.827 9.406 12.631 1.00 0.35 H new ATOM 0 HB3 ASP B 40 146.039 10.653 11.685 1.00 0.35 H new ATOM 2015 N LYS B 41 146.783 6.884 9.734 1.00 0.28 N ATOM 2016 CA LYS B 41 147.042 5.404 9.760 1.00 0.28 C ATOM 2017 C LYS B 41 147.283 4.902 8.327 1.00 0.23 C ATOM 2018 O LYS B 41 146.840 5.498 7.366 1.00 0.23 O ATOM 2019 CB LYS B 41 145.828 4.688 10.371 1.00 0.33 C ATOM 2020 CG LYS B 41 145.583 5.183 11.810 1.00 0.47 C ATOM 2021 CD LYS B 41 146.602 4.560 12.774 1.00 0.74 C ATOM 2022 CE LYS B 41 146.195 4.870 14.217 1.00 0.71 C ATOM 2023 NZ LYS B 41 146.333 6.331 14.469 1.00 1.56 N ATOM 0 H LYS B 41 146.105 7.189 9.036 1.00 0.28 H new ATOM 0 HA LYS B 41 147.925 5.193 10.364 1.00 0.28 H new ATOM 0 HB2 LYS B 41 144.944 4.872 9.761 1.00 0.33 H new ATOM 0 HB3 LYS B 41 145.996 3.611 10.373 1.00 0.33 H new ATOM 0 HG2 LYS B 41 145.658 6.270 11.845 1.00 0.47 H new ATOM 0 HG3 LYS B 41 144.572 4.923 12.123 1.00 0.47 H new ATOM 0 HD2 LYS B 41 146.650 3.482 12.622 1.00 0.74 H new ATOM 0 HD3 LYS B 41 147.598 4.955 12.573 1.00 0.74 H new ATOM 0 HE2 LYS B 41 145.166 4.556 14.391 1.00 0.71 H new ATOM 0 HE3 LYS B 41 146.821 4.310 14.911 1.00 0.71 H new ATOM 0 HZ1 LYS B 41 146.205 6.522 15.483 1.00 1.56 H new ATOM 0 HZ2 LYS B 41 147.279 6.646 14.174 1.00 1.56 H new ATOM 0 HZ3 LYS B 41 145.611 6.847 13.926 1.00 1.56 H new ATOM 2037 N ALA B 42 148.009 3.820 8.182 1.00 0.21 N ATOM 2038 CA ALA B 42 148.317 3.284 6.817 1.00 0.20 C ATOM 2039 C ALA B 42 147.052 2.786 6.103 1.00 0.18 C ATOM 2040 O ALA B 42 146.894 2.977 4.914 1.00 0.18 O ATOM 2041 CB ALA B 42 149.304 2.122 6.940 1.00 0.21 C ATOM 0 H ALA B 42 148.404 3.282 8.954 1.00 0.21 H new ATOM 0 HA ALA B 42 148.746 4.095 6.229 1.00 0.20 H new ATOM 0 HB1 ALA B 42 149.530 1.730 5.948 1.00 0.21 H new ATOM 0 HB2 ALA B 42 150.223 2.473 7.409 1.00 0.21 H new ATOM 0 HB3 ALA B 42 148.863 1.333 7.550 1.00 0.21 H new ATOM 2047 N TYR B 43 146.168 2.121 6.793 1.00 0.18 N ATOM 2048 CA TYR B 43 144.948 1.589 6.110 1.00 0.18 C ATOM 2049 C TYR B 43 144.194 2.721 5.406 1.00 0.17 C ATOM 2050 O TYR B 43 143.387 2.481 4.531 1.00 0.17 O ATOM 2051 CB TYR B 43 144.028 0.876 7.108 1.00 0.20 C ATOM 2052 CG TYR B 43 143.489 1.852 8.121 1.00 0.21 C ATOM 2053 CD1 TYR B 43 142.432 2.699 7.778 1.00 0.21 C ATOM 2054 CD2 TYR B 43 144.035 1.897 9.409 1.00 0.24 C ATOM 2055 CE1 TYR B 43 141.920 3.591 8.720 1.00 0.25 C ATOM 2056 CE2 TYR B 43 143.523 2.793 10.352 1.00 0.28 C ATOM 2057 CZ TYR B 43 142.463 3.641 10.009 1.00 0.27 C ATOM 2058 OH TYR B 43 141.953 4.523 10.940 1.00 0.32 O ATOM 0 H TYR B 43 146.233 1.922 7.791 1.00 0.18 H new ATOM 0 HA TYR B 43 145.267 0.863 5.363 1.00 0.18 H new ATOM 0 HB2 TYR B 43 143.203 0.402 6.576 1.00 0.20 H new ATOM 0 HB3 TYR B 43 144.577 0.083 7.615 1.00 0.20 H new ATOM 0 HD1 TYR B 43 142.012 2.663 6.784 1.00 0.21 H new ATOM 0 HD2 TYR B 43 144.851 1.240 9.674 1.00 0.24 H new ATOM 0 HE1 TYR B 43 141.102 4.245 8.454 1.00 0.25 H new ATOM 0 HE2 TYR B 43 143.945 2.831 11.345 1.00 0.28 H new ATOM 0 HH TYR B 43 142.443 4.428 11.783 1.00 0.32 H new ATOM 2068 N VAL B 44 144.462 3.950 5.754 1.00 0.18 N ATOM 2069 CA VAL B 44 143.766 5.077 5.067 1.00 0.18 C ATOM 2070 C VAL B 44 144.455 5.304 3.716 1.00 0.17 C ATOM 2071 O VAL B 44 143.844 5.671 2.730 1.00 0.17 O ATOM 2072 CB VAL B 44 143.867 6.345 5.925 1.00 0.20 C ATOM 2073 CG1 VAL B 44 143.082 7.491 5.272 1.00 0.21 C ATOM 2074 CG2 VAL B 44 143.290 6.063 7.314 1.00 0.24 C ATOM 0 H VAL B 44 145.127 4.222 6.478 1.00 0.18 H new ATOM 0 HA VAL B 44 142.712 4.842 4.918 1.00 0.18 H new ATOM 0 HB VAL B 44 144.914 6.635 6.009 1.00 0.20 H new ATOM 0 HG11 VAL B 44 143.161 8.385 5.890 1.00 0.21 H new ATOM 0 HG12 VAL B 44 143.492 7.696 4.283 1.00 0.21 H new ATOM 0 HG13 VAL B 44 142.034 7.207 5.178 1.00 0.21 H new ATOM 0 HG21 VAL B 44 143.360 6.962 7.926 1.00 0.24 H new ATOM 0 HG22 VAL B 44 142.245 5.768 7.221 1.00 0.24 H new ATOM 0 HG23 VAL B 44 143.854 5.258 7.785 1.00 0.24 H new ATOM 2084 N VAL B 45 145.737 5.069 3.687 1.00 0.17 N ATOM 2085 CA VAL B 45 146.516 5.248 2.430 1.00 0.17 C ATOM 2086 C VAL B 45 146.210 4.070 1.507 1.00 0.15 C ATOM 2087 O VAL B 45 146.056 4.228 0.312 1.00 0.15 O ATOM 2088 CB VAL B 45 148.012 5.292 2.753 1.00 0.18 C ATOM 2089 CG1 VAL B 45 148.832 5.234 1.456 1.00 0.22 C ATOM 2090 CG2 VAL B 45 148.323 6.591 3.502 1.00 0.20 C ATOM 0 H VAL B 45 146.284 4.757 4.489 1.00 0.17 H new ATOM 0 HA VAL B 45 146.241 6.183 1.942 1.00 0.17 H new ATOM 0 HB VAL B 45 148.275 4.435 3.374 1.00 0.18 H new ATOM 0 HG11 VAL B 45 149.895 5.266 1.696 1.00 0.22 H new ATOM 0 HG12 VAL B 45 148.607 4.309 0.925 1.00 0.22 H new ATOM 0 HG13 VAL B 45 148.577 6.086 0.826 1.00 0.22 H new ATOM 0 HG21 VAL B 45 149.387 6.630 3.736 1.00 0.20 H new ATOM 0 HG22 VAL B 45 148.057 7.444 2.877 1.00 0.20 H new ATOM 0 HG23 VAL B 45 147.747 6.625 4.427 1.00 0.20 H new ATOM 2100 N LEU B 46 146.085 2.895 2.057 1.00 0.17 N ATOM 2101 CA LEU B 46 145.748 1.716 1.216 1.00 0.17 C ATOM 2102 C LEU B 46 144.402 1.986 0.547 1.00 0.17 C ATOM 2103 O LEU B 46 144.172 1.620 -0.587 1.00 0.17 O ATOM 2104 CB LEU B 46 145.655 0.463 2.100 1.00 0.22 C ATOM 2105 CG LEU B 46 145.137 -0.732 1.284 1.00 0.25 C ATOM 2106 CD1 LEU B 46 146.043 -0.972 0.067 1.00 0.40 C ATOM 2107 CD2 LEU B 46 145.127 -1.983 2.168 1.00 0.35 C ATOM 0 H LEU B 46 146.202 2.701 3.052 1.00 0.17 H new ATOM 0 HA LEU B 46 146.516 1.550 0.461 1.00 0.17 H new ATOM 0 HB2 LEU B 46 146.635 0.230 2.516 1.00 0.22 H new ATOM 0 HB3 LEU B 46 144.989 0.653 2.942 1.00 0.22 H new ATOM 0 HG LEU B 46 144.126 -0.517 0.937 1.00 0.25 H new ATOM 0 HD11 LEU B 46 145.667 -1.821 -0.504 1.00 0.40 H new ATOM 0 HD12 LEU B 46 146.048 -0.083 -0.564 1.00 0.40 H new ATOM 0 HD13 LEU B 46 147.058 -1.183 0.405 1.00 0.40 H new ATOM 0 HD21 LEU B 46 144.760 -2.833 1.592 1.00 0.35 H new ATOM 0 HD22 LEU B 46 146.139 -2.191 2.516 1.00 0.35 H new ATOM 0 HD23 LEU B 46 144.475 -1.817 3.026 1.00 0.35 H new ATOM 2119 N GLY B 47 143.510 2.626 1.253 1.00 0.17 N ATOM 2120 CA GLY B 47 142.171 2.927 0.681 1.00 0.18 C ATOM 2121 C GLY B 47 142.320 3.791 -0.574 1.00 0.17 C ATOM 2122 O GLY B 47 141.653 3.572 -1.565 1.00 0.18 O ATOM 0 H GLY B 47 143.654 2.955 2.208 1.00 0.17 H new ATOM 0 HA2 GLY B 47 141.655 1.999 0.435 1.00 0.18 H new ATOM 0 HA3 GLY B 47 141.559 3.446 1.419 1.00 0.18 H new ATOM 2126 N GLN B 48 143.189 4.769 -0.549 1.00 0.17 N ATOM 2127 CA GLN B 48 143.368 5.630 -1.756 1.00 0.18 C ATOM 2128 C GLN B 48 143.811 4.759 -2.936 1.00 0.17 C ATOM 2129 O GLN B 48 143.355 4.927 -4.047 1.00 0.18 O ATOM 2130 CB GLN B 48 144.436 6.694 -1.469 1.00 0.18 C ATOM 2131 CG GLN B 48 144.505 7.698 -2.631 1.00 0.22 C ATOM 2132 CD GLN B 48 143.351 8.698 -2.524 1.00 0.28 C ATOM 2133 OE1 GLN B 48 142.648 8.937 -3.485 1.00 0.97 O ATOM 2134 NE2 GLN B 48 143.130 9.302 -1.389 1.00 1.09 N ATOM 0 H GLN B 48 143.778 5.007 0.249 1.00 0.17 H new ATOM 0 HA GLN B 48 142.426 6.122 -2.001 1.00 0.18 H new ATOM 0 HB2 GLN B 48 144.201 7.215 -0.541 1.00 0.18 H new ATOM 0 HB3 GLN B 48 145.407 6.218 -1.331 1.00 0.18 H new ATOM 0 HG2 GLN B 48 145.458 8.226 -2.611 1.00 0.22 H new ATOM 0 HG3 GLN B 48 144.453 7.170 -3.583 1.00 0.22 H new ATOM 0 HE21 GLN B 48 143.720 9.102 -0.581 1.00 1.09 H new ATOM 0 HE22 GLN B 48 142.367 9.974 -1.309 1.00 1.09 H new ATOM 2143 N PHE B 49 144.689 3.822 -2.702 1.00 0.17 N ATOM 2144 CA PHE B 49 145.158 2.934 -3.808 1.00 0.17 C ATOM 2145 C PHE B 49 143.946 2.190 -4.379 1.00 0.18 C ATOM 2146 O PHE B 49 143.810 2.010 -5.572 1.00 0.19 O ATOM 2147 CB PHE B 49 146.176 1.942 -3.240 1.00 0.18 C ATOM 2148 CG PHE B 49 146.679 1.020 -4.328 1.00 0.20 C ATOM 2149 CD1 PHE B 49 147.441 1.538 -5.381 1.00 0.24 C ATOM 2150 CD2 PHE B 49 146.401 -0.352 -4.274 1.00 0.27 C ATOM 2151 CE1 PHE B 49 147.922 0.687 -6.382 1.00 0.27 C ATOM 2152 CE2 PHE B 49 146.881 -1.201 -5.276 1.00 0.31 C ATOM 2153 CZ PHE B 49 147.642 -0.682 -6.330 1.00 0.27 C ATOM 0 H PHE B 49 145.104 3.631 -1.790 1.00 0.17 H new ATOM 0 HA PHE B 49 145.630 3.513 -4.602 1.00 0.17 H new ATOM 0 HB2 PHE B 49 147.013 2.483 -2.798 1.00 0.18 H new ATOM 0 HB3 PHE B 49 145.717 1.357 -2.443 1.00 0.18 H new ATOM 0 HD1 PHE B 49 147.658 2.595 -5.421 1.00 0.24 H new ATOM 0 HD2 PHE B 49 145.817 -0.754 -3.459 1.00 0.27 H new ATOM 0 HE1 PHE B 49 148.510 1.087 -7.195 1.00 0.27 H new ATOM 0 HE2 PHE B 49 146.664 -2.258 -5.237 1.00 0.31 H new ATOM 0 HZ PHE B 49 148.013 -1.339 -7.103 1.00 0.27 H new ATOM 2163 N LEU B 50 143.071 1.768 -3.523 1.00 0.18 N ATOM 2164 CA LEU B 50 141.859 1.041 -4.004 1.00 0.20 C ATOM 2165 C LEU B 50 140.969 2.027 -4.771 1.00 0.21 C ATOM 2166 O LEU B 50 140.359 1.684 -5.765 1.00 0.23 O ATOM 2167 CB LEU B 50 141.099 0.455 -2.808 1.00 0.22 C ATOM 2168 CG LEU B 50 142.004 -0.524 -2.043 1.00 0.23 C ATOM 2169 CD1 LEU B 50 141.242 -1.079 -0.832 1.00 0.27 C ATOM 2170 CD2 LEU B 50 142.430 -1.685 -2.961 1.00 0.27 C ATOM 0 H LEU B 50 143.135 1.891 -2.512 1.00 0.18 H new ATOM 0 HA LEU B 50 142.148 0.222 -4.663 1.00 0.20 H new ATOM 0 HB2 LEU B 50 140.773 1.256 -2.145 1.00 0.22 H new ATOM 0 HB3 LEU B 50 140.202 -0.059 -3.152 1.00 0.22 H new ATOM 0 HG LEU B 50 142.896 0.004 -1.707 1.00 0.23 H new ATOM 0 HD11 LEU B 50 141.881 -1.774 -0.287 1.00 0.27 H new ATOM 0 HD12 LEU B 50 140.956 -0.258 -0.175 1.00 0.27 H new ATOM 0 HD13 LEU B 50 140.347 -1.600 -1.173 1.00 0.27 H new ATOM 0 HD21 LEU B 50 143.071 -2.371 -2.407 1.00 0.27 H new ATOM 0 HD22 LEU B 50 141.545 -2.217 -3.310 1.00 0.27 H new ATOM 0 HD23 LEU B 50 142.977 -1.290 -3.817 1.00 0.27 H new ATOM 2182 N VAL B 51 140.888 3.242 -4.312 1.00 0.21 N ATOM 2183 CA VAL B 51 140.036 4.256 -5.002 1.00 0.23 C ATOM 2184 C VAL B 51 140.575 4.528 -6.415 1.00 0.23 C ATOM 2185 O VAL B 51 139.843 4.930 -7.299 1.00 0.25 O ATOM 2186 CB VAL B 51 140.050 5.557 -4.189 1.00 0.25 C ATOM 2187 CG1 VAL B 51 139.312 6.656 -4.959 1.00 0.28 C ATOM 2188 CG2 VAL B 51 139.361 5.327 -2.835 1.00 0.27 C ATOM 0 H VAL B 51 141.377 3.582 -3.484 1.00 0.21 H new ATOM 0 HA VAL B 51 139.017 3.877 -5.081 1.00 0.23 H new ATOM 0 HB VAL B 51 141.082 5.865 -4.023 1.00 0.25 H new ATOM 0 HG11 VAL B 51 139.324 7.578 -4.378 1.00 0.28 H new ATOM 0 HG12 VAL B 51 139.805 6.824 -5.916 1.00 0.28 H new ATOM 0 HG13 VAL B 51 138.280 6.349 -5.131 1.00 0.28 H new ATOM 0 HG21 VAL B 51 139.372 6.252 -2.259 1.00 0.27 H new ATOM 0 HG22 VAL B 51 138.330 5.015 -3.000 1.00 0.27 H new ATOM 0 HG23 VAL B 51 139.892 4.550 -2.284 1.00 0.27 H new ATOM 2198 N LEU B 52 141.850 4.334 -6.630 1.00 0.22 N ATOM 2199 CA LEU B 52 142.440 4.605 -7.981 1.00 0.23 C ATOM 2200 C LEU B 52 142.416 3.335 -8.844 1.00 0.23 C ATOM 2201 O LEU B 52 143.060 3.273 -9.873 1.00 0.24 O ATOM 2202 CB LEU B 52 143.886 5.080 -7.819 1.00 0.24 C ATOM 2203 CG LEU B 52 143.929 6.362 -6.972 1.00 0.25 C ATOM 2204 CD1 LEU B 52 145.388 6.796 -6.784 1.00 0.30 C ATOM 2205 CD2 LEU B 52 143.140 7.490 -7.665 1.00 0.27 C ATOM 0 H LEU B 52 142.511 3.999 -5.929 1.00 0.22 H new ATOM 0 HA LEU B 52 141.848 5.376 -8.473 1.00 0.23 H new ATOM 0 HB2 LEU B 52 144.482 4.301 -7.344 1.00 0.24 H new ATOM 0 HB3 LEU B 52 144.328 5.267 -8.798 1.00 0.24 H new ATOM 0 HG LEU B 52 143.474 6.162 -6.002 1.00 0.25 H new ATOM 0 HD11 LEU B 52 145.423 7.705 -6.184 1.00 0.30 H new ATOM 0 HD12 LEU B 52 145.940 6.005 -6.277 1.00 0.30 H new ATOM 0 HD13 LEU B 52 145.839 6.987 -7.758 1.00 0.30 H new ATOM 0 HD21 LEU B 52 143.180 8.391 -7.053 1.00 0.27 H new ATOM 0 HD22 LEU B 52 143.579 7.695 -8.641 1.00 0.27 H new ATOM 0 HD23 LEU B 52 142.102 7.183 -7.792 1.00 0.27 H new ATOM 2217 N LYS B 53 141.667 2.335 -8.465 1.00 0.23 N ATOM 2218 CA LYS B 53 141.597 1.100 -9.301 1.00 0.24 C ATOM 2219 C LYS B 53 143.004 0.596 -9.660 1.00 0.24 C ATOM 2220 O LYS B 53 143.246 0.156 -10.765 1.00 0.30 O ATOM 2221 CB LYS B 53 140.827 1.428 -10.582 1.00 0.29 C ATOM 2222 CG LYS B 53 139.356 1.686 -10.229 1.00 0.39 C ATOM 2223 CD LYS B 53 138.550 2.020 -11.495 1.00 0.48 C ATOM 2224 CE LYS B 53 138.716 3.503 -11.850 1.00 0.92 C ATOM 2225 NZ LYS B 53 137.888 3.824 -13.047 1.00 1.71 N ATOM 0 H LYS B 53 141.102 2.319 -7.616 1.00 0.23 H new ATOM 0 HA LYS B 53 141.092 0.315 -8.739 1.00 0.24 H new ATOM 0 HB2 LYS B 53 141.257 2.305 -11.066 1.00 0.29 H new ATOM 0 HB3 LYS B 53 140.905 0.603 -11.290 1.00 0.29 H new ATOM 0 HG2 LYS B 53 138.933 0.807 -9.743 1.00 0.39 H new ATOM 0 HG3 LYS B 53 139.285 2.509 -9.518 1.00 0.39 H new ATOM 0 HD2 LYS B 53 138.888 1.399 -12.325 1.00 0.48 H new ATOM 0 HD3 LYS B 53 137.496 1.792 -11.335 1.00 0.48 H new ATOM 0 HE2 LYS B 53 138.413 4.125 -11.008 1.00 0.92 H new ATOM 0 HE3 LYS B 53 139.764 3.725 -12.050 1.00 0.92 H new ATOM 0 HZ1 LYS B 53 138.001 4.830 -13.288 1.00 1.71 H new ATOM 0 HZ2 LYS B 53 138.197 3.239 -13.850 1.00 1.71 H new ATOM 0 HZ3 LYS B 53 136.888 3.628 -12.840 1.00 1.71 H new ATOM 2239 N LYS B 54 143.928 0.653 -8.730 1.00 0.23 N ATOM 2240 CA LYS B 54 145.323 0.170 -8.985 1.00 0.26 C ATOM 2241 C LYS B 54 145.935 0.906 -10.177 1.00 0.28 C ATOM 2242 O LYS B 54 146.910 0.460 -10.749 1.00 0.34 O ATOM 2243 CB LYS B 54 145.309 -1.336 -9.276 1.00 0.36 C ATOM 2244 CG LYS B 54 144.734 -2.086 -8.075 1.00 0.67 C ATOM 2245 CD LYS B 54 144.720 -3.587 -8.368 1.00 0.83 C ATOM 2246 CE LYS B 54 144.173 -4.339 -7.153 1.00 1.41 C ATOM 2247 NZ LYS B 54 142.765 -3.925 -6.902 1.00 2.25 N ATOM 0 H LYS B 54 143.772 1.019 -7.791 1.00 0.23 H new ATOM 0 HA LYS B 54 145.923 0.368 -8.097 1.00 0.26 H new ATOM 0 HB2 LYS B 54 144.711 -1.539 -10.164 1.00 0.36 H new ATOM 0 HB3 LYS B 54 146.320 -1.685 -9.485 1.00 0.36 H new ATOM 0 HG2 LYS B 54 145.332 -1.884 -7.187 1.00 0.67 H new ATOM 0 HG3 LYS B 54 143.723 -1.737 -7.865 1.00 0.67 H new ATOM 0 HD2 LYS B 54 144.104 -3.792 -9.243 1.00 0.83 H new ATOM 0 HD3 LYS B 54 145.728 -3.933 -8.600 1.00 0.83 H new ATOM 0 HE2 LYS B 54 144.221 -5.414 -7.326 1.00 1.41 H new ATOM 0 HE3 LYS B 54 144.786 -4.129 -6.277 1.00 1.41 H new ATOM 0 HZ1 LYS B 54 142.184 -4.767 -6.716 1.00 2.25 H new ATOM 0 HZ2 LYS B 54 142.731 -3.292 -6.078 1.00 2.25 H new ATOM 0 HZ3 LYS B 54 142.396 -3.427 -7.737 1.00 2.25 H new ATOM 2261 N ASP B 55 145.403 2.031 -10.548 1.00 0.30 N ATOM 2262 CA ASP B 55 146.000 2.776 -11.690 1.00 0.39 C ATOM 2263 C ASP B 55 147.374 3.307 -11.249 1.00 0.38 C ATOM 2264 O ASP B 55 147.473 4.205 -10.438 1.00 0.37 O ATOM 2265 CB ASP B 55 145.069 3.924 -12.065 1.00 0.47 C ATOM 2266 CG ASP B 55 143.823 3.357 -12.749 1.00 1.18 C ATOM 2267 OD1 ASP B 55 143.973 2.464 -13.565 1.00 1.80 O ATOM 2268 OD2 ASP B 55 142.738 3.822 -12.439 1.00 1.54 O ATOM 0 H ASP B 55 144.588 2.466 -10.116 1.00 0.30 H new ATOM 0 HA ASP B 55 146.127 2.132 -12.560 1.00 0.39 H new ATOM 0 HB2 ASP B 55 144.786 4.485 -11.174 1.00 0.47 H new ATOM 0 HB3 ASP B 55 145.580 4.620 -12.731 1.00 0.47 H new ATOM 2273 N GLU B 56 148.432 2.728 -11.758 1.00 0.39 N ATOM 2274 CA GLU B 56 149.814 3.145 -11.360 1.00 0.38 C ATOM 2275 C GLU B 56 150.126 4.601 -11.738 1.00 0.38 C ATOM 2276 O GLU B 56 150.743 5.321 -10.984 1.00 0.38 O ATOM 2277 CB GLU B 56 150.815 2.225 -12.060 1.00 0.40 C ATOM 2278 CG GLU B 56 152.222 2.474 -11.515 1.00 0.41 C ATOM 2279 CD GLU B 56 153.178 1.430 -12.093 1.00 0.63 C ATOM 2280 OE1 GLU B 56 152.717 0.582 -12.841 1.00 0.88 O ATOM 2281 OE2 GLU B 56 154.355 1.493 -11.779 1.00 0.85 O ATOM 0 H GLU B 56 148.397 1.973 -12.443 1.00 0.39 H new ATOM 0 HA GLU B 56 149.887 3.069 -10.275 1.00 0.38 H new ATOM 0 HB2 GLU B 56 150.535 1.183 -11.904 1.00 0.40 H new ATOM 0 HB3 GLU B 56 150.795 2.403 -13.135 1.00 0.40 H new ATOM 0 HG2 GLU B 56 152.556 3.477 -11.781 1.00 0.41 H new ATOM 0 HG3 GLU B 56 152.218 2.418 -10.426 1.00 0.41 H new ATOM 2288 N ASP B 57 149.722 5.038 -12.896 1.00 0.40 N ATOM 2289 CA ASP B 57 150.022 6.444 -13.308 1.00 0.42 C ATOM 2290 C ASP B 57 149.226 7.416 -12.439 1.00 0.41 C ATOM 2291 O ASP B 57 149.717 8.450 -12.032 1.00 0.41 O ATOM 2292 CB ASP B 57 149.640 6.634 -14.776 1.00 0.45 C ATOM 2293 CG ASP B 57 150.614 5.852 -15.657 1.00 0.47 C ATOM 2294 OD1 ASP B 57 151.762 5.720 -15.265 1.00 0.65 O ATOM 2295 OD2 ASP B 57 150.195 5.392 -16.707 1.00 0.74 O ATOM 0 H ASP B 57 149.198 4.488 -13.576 1.00 0.40 H new ATOM 0 HA ASP B 57 151.087 6.641 -13.181 1.00 0.42 H new ATOM 0 HB2 ASP B 57 148.620 6.288 -14.946 1.00 0.45 H new ATOM 0 HB3 ASP B 57 149.666 7.692 -15.036 1.00 0.45 H new ATOM 2300 N LEU B 58 148.012 7.086 -12.144 1.00 0.40 N ATOM 2301 CA LEU B 58 147.201 7.993 -11.289 1.00 0.40 C ATOM 2302 C LEU B 58 147.756 7.964 -9.862 1.00 0.38 C ATOM 2303 O LEU B 58 147.831 8.977 -9.197 1.00 0.38 O ATOM 2304 CB LEU B 58 145.734 7.552 -11.291 1.00 0.41 C ATOM 2305 CG LEU B 58 145.169 7.596 -12.720 1.00 0.47 C ATOM 2306 CD1 LEU B 58 143.709 7.128 -12.705 1.00 0.45 C ATOM 2307 CD2 LEU B 58 145.240 9.032 -13.278 1.00 0.55 C ATOM 0 H LEU B 58 147.542 6.235 -12.452 1.00 0.40 H new ATOM 0 HA LEU B 58 147.256 9.008 -11.683 1.00 0.40 H new ATOM 0 HB2 LEU B 58 145.650 6.542 -10.890 1.00 0.41 H new ATOM 0 HB3 LEU B 58 145.150 8.203 -10.641 1.00 0.41 H new ATOM 0 HG LEU B 58 145.762 6.939 -13.356 1.00 0.47 H new ATOM 0 HD11 LEU B 58 143.307 7.159 -13.718 1.00 0.45 H new ATOM 0 HD12 LEU B 58 143.658 6.108 -12.325 1.00 0.45 H new ATOM 0 HD13 LEU B 58 143.123 7.785 -12.062 1.00 0.45 H new ATOM 0 HD21 LEU B 58 144.837 9.049 -14.291 1.00 0.55 H new ATOM 0 HD22 LEU B 58 144.656 9.698 -12.643 1.00 0.55 H new ATOM 0 HD23 LEU B 58 146.278 9.365 -13.295 1.00 0.55 H new ATOM 2319 N PHE B 59 148.170 6.816 -9.395 1.00 0.37 N ATOM 2320 CA PHE B 59 148.744 6.739 -8.020 1.00 0.35 C ATOM 2321 C PHE B 59 150.020 7.585 -7.950 1.00 0.36 C ATOM 2322 O PHE B 59 150.236 8.328 -7.013 1.00 0.35 O ATOM 2323 CB PHE B 59 149.087 5.287 -7.681 1.00 0.35 C ATOM 2324 CG PHE B 59 149.659 5.222 -6.284 1.00 0.34 C ATOM 2325 CD1 PHE B 59 151.038 5.362 -6.082 1.00 0.37 C ATOM 2326 CD2 PHE B 59 148.808 5.027 -5.190 1.00 0.35 C ATOM 2327 CE1 PHE B 59 151.564 5.304 -4.786 1.00 0.38 C ATOM 2328 CE2 PHE B 59 149.335 4.969 -3.894 1.00 0.37 C ATOM 2329 CZ PHE B 59 150.713 5.108 -3.692 1.00 0.37 C ATOM 0 H PHE B 59 148.136 5.932 -9.903 1.00 0.37 H new ATOM 0 HA PHE B 59 148.011 7.116 -7.306 1.00 0.35 H new ATOM 0 HB2 PHE B 59 148.195 4.665 -7.750 1.00 0.35 H new ATOM 0 HB3 PHE B 59 149.806 4.894 -8.399 1.00 0.35 H new ATOM 0 HD1 PHE B 59 151.695 5.515 -6.926 1.00 0.37 H new ATOM 0 HD2 PHE B 59 147.745 4.921 -5.346 1.00 0.35 H new ATOM 0 HE1 PHE B 59 152.627 5.411 -4.630 1.00 0.38 H new ATOM 0 HE2 PHE B 59 148.678 4.817 -3.050 1.00 0.37 H new ATOM 0 HZ PHE B 59 151.120 5.064 -2.692 1.00 0.37 H new ATOM 2339 N ARG B 60 150.879 7.455 -8.932 1.00 0.38 N ATOM 2340 CA ARG B 60 152.159 8.225 -8.919 1.00 0.39 C ATOM 2341 C ARG B 60 151.892 9.730 -8.898 1.00 0.40 C ATOM 2342 O ARG B 60 152.470 10.454 -8.112 1.00 0.39 O ATOM 2343 CB ARG B 60 152.973 7.893 -10.177 1.00 0.43 C ATOM 2344 CG ARG B 60 153.562 6.482 -10.081 1.00 0.44 C ATOM 2345 CD ARG B 60 154.319 6.170 -11.375 1.00 0.51 C ATOM 2346 NE ARG B 60 155.001 4.850 -11.262 1.00 1.31 N ATOM 2347 CZ ARG B 60 155.439 4.252 -12.337 1.00 1.54 C ATOM 2348 NH1 ARG B 60 155.228 4.784 -13.510 1.00 1.15 N ATOM 2349 NH2 ARG B 60 156.080 3.119 -12.242 1.00 2.64 N ATOM 0 H ARG B 60 150.748 6.848 -9.741 1.00 0.38 H new ATOM 0 HA ARG B 60 152.711 7.947 -8.021 1.00 0.39 H new ATOM 0 HB2 ARG B 60 152.337 7.968 -11.059 1.00 0.43 H new ATOM 0 HB3 ARG B 60 153.775 8.620 -10.300 1.00 0.43 H new ATOM 0 HG2 ARG B 60 154.234 6.412 -9.225 1.00 0.44 H new ATOM 0 HG3 ARG B 60 152.768 5.752 -9.924 1.00 0.44 H new ATOM 0 HD2 ARG B 60 153.627 6.160 -12.217 1.00 0.51 H new ATOM 0 HD3 ARG B 60 155.052 6.951 -11.574 1.00 0.51 H new ATOM 0 HE ARG B 60 155.125 4.415 -10.348 1.00 1.31 H new ATOM 0 HH11 ARG B 60 154.721 5.666 -13.586 1.00 1.15 H new ATOM 0 HH12 ARG B 60 155.570 4.318 -14.350 1.00 1.15 H new ATOM 0 HH21 ARG B 60 156.240 2.699 -11.326 1.00 2.64 H new ATOM 0 HH22 ARG B 60 156.421 2.654 -13.083 1.00 2.64 H new ATOM 2363 N GLU B 61 151.026 10.215 -9.742 1.00 0.42 N ATOM 2364 CA GLU B 61 150.740 11.673 -9.744 1.00 0.44 C ATOM 2365 C GLU B 61 150.103 12.056 -8.407 1.00 0.42 C ATOM 2366 O GLU B 61 150.390 13.095 -7.847 1.00 0.43 O ATOM 2367 CB GLU B 61 149.785 12.000 -10.897 1.00 0.48 C ATOM 2368 CG GLU B 61 149.513 13.506 -10.941 1.00 1.30 C ATOM 2369 CD GLU B 61 148.575 13.817 -12.108 1.00 1.77 C ATOM 2370 OE1 GLU B 61 148.319 12.918 -12.892 1.00 2.33 O ATOM 2371 OE2 GLU B 61 148.131 14.950 -12.201 1.00 2.38 O ATOM 0 H GLU B 61 150.506 9.667 -10.427 1.00 0.42 H new ATOM 0 HA GLU B 61 151.663 12.237 -9.878 1.00 0.44 H new ATOM 0 HB2 GLU B 61 150.218 11.673 -11.842 1.00 0.48 H new ATOM 0 HB3 GLU B 61 148.849 11.457 -10.770 1.00 0.48 H new ATOM 0 HG2 GLU B 61 149.066 13.834 -10.003 1.00 1.30 H new ATOM 0 HG3 GLU B 61 150.449 14.053 -11.056 1.00 1.30 H new ATOM 2378 N TRP B 62 149.237 11.230 -7.893 1.00 0.40 N ATOM 2379 CA TRP B 62 148.578 11.554 -6.595 1.00 0.39 C ATOM 2380 C TRP B 62 149.603 11.664 -5.458 1.00 0.36 C ATOM 2381 O TRP B 62 149.601 12.610 -4.701 1.00 0.36 O ATOM 2382 CB TRP B 62 147.562 10.453 -6.250 1.00 0.38 C ATOM 2383 CG TRP B 62 147.077 10.640 -4.845 1.00 0.36 C ATOM 2384 CD1 TRP B 62 146.093 11.485 -4.461 1.00 0.39 C ATOM 2385 CD2 TRP B 62 147.562 9.997 -3.630 1.00 0.34 C ATOM 2386 NE1 TRP B 62 145.941 11.400 -3.087 1.00 0.37 N ATOM 2387 CE2 TRP B 62 146.824 10.494 -2.529 1.00 0.34 C ATOM 2388 CE3 TRP B 62 148.560 9.037 -3.378 1.00 0.32 C ATOM 2389 CZ2 TRP B 62 147.070 10.056 -1.226 1.00 0.34 C ATOM 2390 CZ3 TRP B 62 148.808 8.595 -2.069 1.00 0.31 C ATOM 2391 CH2 TRP B 62 148.065 9.103 -0.996 1.00 0.32 C ATOM 0 H TRP B 62 148.956 10.344 -8.314 1.00 0.40 H new ATOM 0 HA TRP B 62 148.077 12.516 -6.701 1.00 0.39 H new ATOM 0 HB2 TRP B 62 146.722 10.489 -6.943 1.00 0.38 H new ATOM 0 HB3 TRP B 62 148.023 9.471 -6.359 1.00 0.38 H new ATOM 0 HD1 TRP B 62 145.520 12.122 -5.118 1.00 0.39 H new ATOM 0 HE1 TRP B 62 145.261 11.940 -2.552 1.00 0.37 H new ATOM 0 HE3 TRP B 62 149.139 8.638 -4.198 1.00 0.32 H new ATOM 0 HZ2 TRP B 62 146.495 10.451 -0.402 1.00 0.34 H new ATOM 0 HZ3 TRP B 62 149.577 7.858 -1.888 1.00 0.31 H new ATOM 0 HH2 TRP B 62 148.261 8.758 0.008 1.00 0.32 H new ATOM 2402 N LEU B 63 150.461 10.695 -5.315 1.00 0.34 N ATOM 2403 CA LEU B 63 151.454 10.743 -4.202 1.00 0.32 C ATOM 2404 C LEU B 63 152.436 11.897 -4.427 1.00 0.33 C ATOM 2405 O LEU B 63 152.728 12.661 -3.528 1.00 0.32 O ATOM 2406 CB LEU B 63 152.219 9.407 -4.160 1.00 0.31 C ATOM 2407 CG LEU B 63 153.238 9.384 -3.004 1.00 0.30 C ATOM 2408 CD1 LEU B 63 152.525 9.188 -1.662 1.00 0.30 C ATOM 2409 CD2 LEU B 63 154.219 8.229 -3.220 1.00 0.32 C ATOM 0 H LEU B 63 150.520 9.874 -5.917 1.00 0.34 H new ATOM 0 HA LEU B 63 150.937 10.903 -3.256 1.00 0.32 H new ATOM 0 HB2 LEU B 63 151.513 8.585 -4.043 1.00 0.31 H new ATOM 0 HB3 LEU B 63 152.736 9.251 -5.107 1.00 0.31 H new ATOM 0 HG LEU B 63 153.770 10.335 -2.987 1.00 0.30 H new ATOM 0 HD11 LEU B 63 153.261 9.174 -0.858 1.00 0.30 H new ATOM 0 HD12 LEU B 63 151.824 10.007 -1.499 1.00 0.30 H new ATOM 0 HD13 LEU B 63 151.982 8.243 -1.673 1.00 0.30 H new ATOM 0 HD21 LEU B 63 154.942 8.208 -2.405 1.00 0.32 H new ATOM 0 HD22 LEU B 63 153.672 7.287 -3.244 1.00 0.32 H new ATOM 0 HD23 LEU B 63 154.743 8.368 -4.166 1.00 0.32 H new ATOM 2421 N LYS B 64 152.943 12.029 -5.617 1.00 0.35 N ATOM 2422 CA LYS B 64 153.902 13.131 -5.904 1.00 0.37 C ATOM 2423 C LYS B 64 153.202 14.482 -5.755 1.00 0.38 C ATOM 2424 O LYS B 64 153.709 15.395 -5.133 1.00 0.38 O ATOM 2425 CB LYS B 64 154.449 12.974 -7.323 1.00 0.41 C ATOM 2426 CG LYS B 64 155.498 14.055 -7.599 1.00 0.43 C ATOM 2427 CD LYS B 64 156.090 13.827 -8.990 1.00 0.68 C ATOM 2428 CE LYS B 64 157.130 14.906 -9.298 1.00 1.24 C ATOM 2429 NZ LYS B 64 157.768 14.614 -10.613 1.00 2.10 N ATOM 0 H LYS B 64 152.735 11.419 -6.408 1.00 0.35 H new ATOM 0 HA LYS B 64 154.729 13.086 -5.195 1.00 0.37 H new ATOM 0 HB2 LYS B 64 154.892 11.985 -7.444 1.00 0.41 H new ATOM 0 HB3 LYS B 64 153.637 13.050 -8.046 1.00 0.41 H new ATOM 0 HG2 LYS B 64 155.044 15.044 -7.540 1.00 0.43 H new ATOM 0 HG3 LYS B 64 156.284 14.019 -6.844 1.00 0.43 H new ATOM 0 HD2 LYS B 64 156.551 12.841 -9.041 1.00 0.68 H new ATOM 0 HD3 LYS B 64 155.299 13.848 -9.739 1.00 0.68 H new ATOM 0 HE2 LYS B 64 156.657 15.888 -9.320 1.00 1.24 H new ATOM 0 HE3 LYS B 64 157.885 14.934 -8.513 1.00 1.24 H new ATOM 0 HZ1 LYS B 64 158.476 15.346 -10.826 1.00 2.10 H new ATOM 0 HZ2 LYS B 64 158.232 13.684 -10.575 1.00 2.10 H new ATOM 0 HZ3 LYS B 64 157.042 14.608 -11.357 1.00 2.10 H new ATOM 2443 N ASP B 65 152.036 14.610 -6.322 1.00 0.41 N ATOM 2444 CA ASP B 65 151.287 15.893 -6.219 1.00 0.44 C ATOM 2445 C ASP B 65 150.818 16.095 -4.780 1.00 0.43 C ATOM 2446 O ASP B 65 150.678 17.208 -4.311 1.00 0.45 O ATOM 2447 CB ASP B 65 150.074 15.857 -7.152 1.00 0.48 C ATOM 2448 CG ASP B 65 149.399 17.230 -7.166 1.00 1.17 C ATOM 2449 OD1 ASP B 65 148.789 17.578 -6.167 1.00 1.90 O ATOM 2450 OD2 ASP B 65 149.504 17.910 -8.173 1.00 1.41 O ATOM 0 H ASP B 65 151.567 13.878 -6.855 1.00 0.41 H new ATOM 0 HA ASP B 65 151.940 16.717 -6.508 1.00 0.44 H new ATOM 0 HB2 ASP B 65 150.385 15.583 -8.160 1.00 0.48 H new ATOM 0 HB3 ASP B 65 149.368 15.096 -6.819 1.00 0.48 H new ATOM 2455 N THR B 66 150.538 15.027 -4.086 1.00 0.39 N ATOM 2456 CA THR B 66 150.034 15.148 -2.690 1.00 0.39 C ATOM 2457 C THR B 66 151.168 15.462 -1.709 1.00 0.38 C ATOM 2458 O THR B 66 150.960 16.200 -0.766 1.00 0.40 O ATOM 2459 CB THR B 66 149.351 13.839 -2.280 1.00 0.37 C ATOM 2460 OG1 THR B 66 148.224 13.618 -3.116 1.00 0.37 O ATOM 2461 CG2 THR B 66 148.889 13.932 -0.829 1.00 0.38 C ATOM 0 H THR B 66 150.637 14.071 -4.428 1.00 0.39 H new ATOM 0 HA THR B 66 149.321 15.971 -2.657 1.00 0.39 H new ATOM 0 HB THR B 66 150.057 13.015 -2.383 1.00 0.37 H new ATOM 0 HG1 THR B 66 148.493 13.085 -3.893 1.00 0.37 H new ATOM 0 HG21 THR B 66 148.404 12.999 -0.541 1.00 0.38 H new ATOM 0 HG22 THR B 66 149.750 14.108 -0.184 1.00 0.38 H new ATOM 0 HG23 THR B 66 148.183 14.756 -0.724 1.00 0.38 H new ATOM 2469 N CYS B 67 152.347 14.896 -1.870 1.00 0.36 N ATOM 2470 CA CYS B 67 153.449 15.162 -0.882 1.00 0.37 C ATOM 2471 C CYS B 67 154.746 15.581 -1.574 1.00 0.37 C ATOM 2472 O CYS B 67 155.588 16.227 -0.983 1.00 0.39 O ATOM 2473 CB CYS B 67 153.710 13.884 -0.085 1.00 0.36 C ATOM 2474 SG CYS B 67 154.180 12.553 -1.218 1.00 0.36 S ATOM 0 H CYS B 67 152.592 14.268 -2.635 1.00 0.36 H new ATOM 0 HA CYS B 67 153.133 15.978 -0.232 1.00 0.37 H new ATOM 0 HB2 CYS B 67 154.503 14.053 0.644 1.00 0.36 H new ATOM 0 HB3 CYS B 67 152.818 13.602 0.474 1.00 0.36 H new ATOM 0 HG CYS B 67 153.772 12.841 -2.418 1.00 0.36 H new ATOM 2480 N GLY B 68 154.926 15.208 -2.815 1.00 0.35 N ATOM 2481 CA GLY B 68 156.182 15.574 -3.546 1.00 0.36 C ATOM 2482 C GLY B 68 157.096 14.349 -3.620 1.00 0.34 C ATOM 2483 O GLY B 68 158.262 14.455 -3.944 1.00 0.33 O ATOM 0 H GLY B 68 154.256 14.663 -3.358 1.00 0.35 H new ATOM 0 HA2 GLY B 68 155.943 15.926 -4.550 1.00 0.36 H new ATOM 0 HA3 GLY B 68 156.690 16.391 -3.034 1.00 0.36 H new ATOM 2487 N ALA B 69 156.582 13.185 -3.324 1.00 0.32 N ATOM 2488 CA ALA B 69 157.434 11.964 -3.383 1.00 0.31 C ATOM 2489 C ALA B 69 158.128 11.904 -4.741 1.00 0.31 C ATOM 2490 O ALA B 69 157.655 12.457 -5.714 1.00 0.32 O ATOM 2491 CB ALA B 69 156.568 10.718 -3.196 1.00 0.31 C ATOM 0 H ALA B 69 155.613 13.028 -3.045 1.00 0.32 H new ATOM 0 HA ALA B 69 158.180 12.002 -2.589 1.00 0.31 H new ATOM 0 HB1 ALA B 69 157.196 9.828 -3.240 1.00 0.31 H new ATOM 0 HB2 ALA B 69 156.070 10.763 -2.227 1.00 0.31 H new ATOM 0 HB3 ALA B 69 155.819 10.673 -3.987 1.00 0.31 H new ATOM 2497 N ASN B 70 159.252 11.246 -4.818 1.00 0.29 N ATOM 2498 CA ASN B 70 159.978 11.165 -6.117 1.00 0.29 C ATOM 2499 C ASN B 70 159.483 9.951 -6.904 1.00 0.29 C ATOM 2500 O ASN B 70 158.747 9.125 -6.401 1.00 0.29 O ATOM 2501 CB ASN B 70 161.478 11.028 -5.845 1.00 0.29 C ATOM 2502 CG ASN B 70 162.013 12.346 -5.282 1.00 1.07 C ATOM 2503 OD1 ASN B 70 161.486 13.402 -5.573 1.00 1.91 O ATOM 2504 ND2 ASN B 70 163.043 12.331 -4.480 1.00 1.78 N ATOM 0 H ASN B 70 159.698 10.762 -4.039 1.00 0.29 H new ATOM 0 HA ASN B 70 159.794 12.068 -6.699 1.00 0.29 H new ATOM 0 HB2 ASN B 70 161.658 10.218 -5.139 1.00 0.29 H new ATOM 0 HB3 ASN B 70 162.004 10.772 -6.765 1.00 0.29 H new ATOM 0 HD21 ASN B 70 163.405 13.205 -4.098 1.00 1.78 H new ATOM 0 HD22 ASN B 70 163.486 11.445 -4.235 1.00 1.78 H new ATOM 2511 N ALA B 71 159.871 9.850 -8.143 1.00 0.31 N ATOM 2512 CA ALA B 71 159.420 8.709 -8.989 1.00 0.33 C ATOM 2513 C ALA B 71 159.867 7.374 -8.383 1.00 0.31 C ATOM 2514 O ALA B 71 159.209 6.364 -8.544 1.00 0.31 O ATOM 2515 CB ALA B 71 160.022 8.850 -10.387 1.00 0.38 C ATOM 0 H ALA B 71 160.487 10.515 -8.611 1.00 0.31 H new ATOM 0 HA ALA B 71 158.331 8.723 -9.042 1.00 0.33 H new ATOM 0 HB1 ALA B 71 159.695 8.017 -11.010 1.00 0.38 H new ATOM 0 HB2 ALA B 71 159.691 9.788 -10.833 1.00 0.38 H new ATOM 0 HB3 ALA B 71 161.110 8.845 -10.317 1.00 0.38 H new ATOM 2521 N LYS B 72 160.984 7.347 -7.710 1.00 0.29 N ATOM 2522 CA LYS B 72 161.459 6.057 -7.130 1.00 0.28 C ATOM 2523 C LYS B 72 160.615 5.684 -5.908 1.00 0.26 C ATOM 2524 O LYS B 72 160.291 4.532 -5.687 1.00 0.26 O ATOM 2525 CB LYS B 72 162.931 6.197 -6.726 1.00 0.28 C ATOM 2526 CG LYS B 72 163.060 7.126 -5.513 1.00 1.18 C ATOM 2527 CD LYS B 72 164.536 7.451 -5.281 1.00 1.28 C ATOM 2528 CE LYS B 72 164.699 8.167 -3.938 1.00 2.10 C ATOM 2529 NZ LYS B 72 164.298 7.249 -2.835 1.00 2.57 N ATOM 0 H LYS B 72 161.584 8.153 -7.537 1.00 0.29 H new ATOM 0 HA LYS B 72 161.358 5.268 -7.875 1.00 0.28 H new ATOM 0 HB2 LYS B 72 163.346 5.217 -6.489 1.00 0.28 H new ATOM 0 HB3 LYS B 72 163.509 6.594 -7.561 1.00 0.28 H new ATOM 0 HG2 LYS B 72 162.496 8.043 -5.681 1.00 1.18 H new ATOM 0 HG3 LYS B 72 162.637 6.649 -4.629 1.00 1.18 H new ATOM 0 HD2 LYS B 72 165.126 6.535 -5.290 1.00 1.28 H new ATOM 0 HD3 LYS B 72 164.911 8.080 -6.088 1.00 1.28 H new ATOM 0 HE2 LYS B 72 165.734 8.483 -3.805 1.00 2.10 H new ATOM 0 HE3 LYS B 72 164.086 9.068 -3.917 1.00 2.10 H new ATOM 0 HZ1 LYS B 72 163.417 7.591 -2.401 1.00 2.57 H new ATOM 0 HZ2 LYS B 72 164.148 6.293 -3.216 1.00 2.57 H new ATOM 0 HZ3 LYS B 72 165.049 7.221 -2.116 1.00 2.57 H new ATOM 2543 N GLN B 73 160.279 6.651 -5.101 1.00 0.25 N ATOM 2544 CA GLN B 73 159.484 6.374 -3.875 1.00 0.24 C ATOM 2545 C GLN B 73 158.083 5.904 -4.249 1.00 0.25 C ATOM 2546 O GLN B 73 157.485 5.096 -3.566 1.00 0.25 O ATOM 2547 CB GLN B 73 159.394 7.653 -3.042 1.00 0.26 C ATOM 2548 CG GLN B 73 160.770 7.962 -2.450 1.00 0.28 C ATOM 2549 CD GLN B 73 160.699 9.247 -1.626 1.00 1.25 C ATOM 2550 OE1 GLN B 73 160.181 10.246 -2.083 1.00 2.12 O ATOM 2551 NE2 GLN B 73 161.202 9.264 -0.422 1.00 1.89 N ATOM 0 H GLN B 73 160.524 7.631 -5.241 1.00 0.25 H new ATOM 0 HA GLN B 73 159.972 5.588 -3.298 1.00 0.24 H new ATOM 0 HB2 GLN B 73 159.057 8.483 -3.663 1.00 0.26 H new ATOM 0 HB3 GLN B 73 158.660 7.532 -2.245 1.00 0.26 H new ATOM 0 HG2 GLN B 73 161.101 7.134 -1.823 1.00 0.28 H new ATOM 0 HG3 GLN B 73 161.504 8.071 -3.248 1.00 0.28 H new ATOM 0 HE21 GLN B 73 161.637 8.425 -0.039 1.00 1.89 H new ATOM 0 HE22 GLN B 73 161.160 10.117 0.136 1.00 1.89 H new ATOM 2560 N SER B 74 157.547 6.406 -5.327 1.00 0.26 N ATOM 2561 CA SER B 74 156.182 5.988 -5.735 1.00 0.27 C ATOM 2562 C SER B 74 156.200 4.525 -6.183 1.00 0.26 C ATOM 2563 O SER B 74 155.276 3.781 -5.918 1.00 0.26 O ATOM 2564 CB SER B 74 155.705 6.872 -6.885 1.00 0.30 C ATOM 2565 OG SER B 74 156.331 6.453 -8.091 1.00 1.36 O ATOM 0 H SER B 74 157.996 7.086 -5.940 1.00 0.26 H new ATOM 0 HA SER B 74 155.503 6.093 -4.889 1.00 0.27 H new ATOM 0 HB2 SER B 74 154.621 6.808 -6.983 1.00 0.30 H new ATOM 0 HB3 SER B 74 155.945 7.915 -6.681 1.00 0.30 H new ATOM 0 HG SER B 74 157.304 6.515 -7.993 1.00 1.36 H new ATOM 2571 N ARG B 75 157.239 4.094 -6.853 1.00 0.27 N ATOM 2572 CA ARG B 75 157.297 2.674 -7.300 1.00 0.27 C ATOM 2573 C ARG B 75 157.246 1.751 -6.087 1.00 0.26 C ATOM 2574 O ARG B 75 156.643 0.697 -6.134 1.00 0.26 O ATOM 2575 CB ARG B 75 158.584 2.414 -8.090 1.00 0.29 C ATOM 2576 CG ARG B 75 158.513 3.133 -9.438 1.00 0.32 C ATOM 2577 CD ARG B 75 159.800 2.873 -10.225 1.00 0.61 C ATOM 2578 NE ARG B 75 159.742 3.594 -11.527 1.00 1.35 N ATOM 2579 CZ ARG B 75 160.832 3.773 -12.223 1.00 1.82 C ATOM 2580 NH1 ARG B 75 161.972 3.320 -11.778 1.00 1.89 N ATOM 2581 NH2 ARG B 75 160.783 4.407 -13.363 1.00 2.81 N ATOM 0 H ARG B 75 158.046 4.664 -7.108 1.00 0.27 H new ATOM 0 HA ARG B 75 156.442 2.475 -7.946 1.00 0.27 H new ATOM 0 HB2 ARG B 75 159.447 2.765 -7.524 1.00 0.29 H new ATOM 0 HB3 ARG B 75 158.718 1.343 -8.244 1.00 0.29 H new ATOM 0 HG2 ARG B 75 157.651 2.781 -10.004 1.00 0.32 H new ATOM 0 HG3 ARG B 75 158.378 4.204 -9.284 1.00 0.32 H new ATOM 0 HD2 ARG B 75 160.664 3.208 -9.650 1.00 0.61 H new ATOM 0 HD3 ARG B 75 159.925 1.804 -10.395 1.00 0.61 H new ATOM 0 HE ARG B 75 158.851 3.948 -11.875 1.00 1.35 H new ATOM 0 HH11 ARG B 75 162.011 2.826 -10.886 1.00 1.89 H new ATOM 0 HH12 ARG B 75 162.824 3.460 -12.322 1.00 1.89 H new ATOM 0 HH21 ARG B 75 159.893 4.763 -13.711 1.00 2.81 H new ATOM 0 HH22 ARG B 75 161.635 4.546 -13.906 1.00 2.81 H new ATOM 2595 N ASP B 76 157.890 2.103 -5.006 1.00 0.24 N ATOM 2596 CA ASP B 76 157.894 1.214 -3.813 1.00 0.24 C ATOM 2597 C ASP B 76 156.503 1.149 -3.187 1.00 0.22 C ATOM 2598 O ASP B 76 156.055 0.100 -2.771 1.00 0.22 O ATOM 2599 CB ASP B 76 158.883 1.765 -2.783 1.00 0.23 C ATOM 2600 CG ASP B 76 160.311 1.582 -3.297 1.00 0.25 C ATOM 2601 OD1 ASP B 76 160.506 0.746 -4.165 1.00 0.40 O ATOM 2602 OD2 ASP B 76 161.187 2.284 -2.818 1.00 0.39 O ATOM 0 H ASP B 76 158.415 2.971 -4.900 1.00 0.24 H new ATOM 0 HA ASP B 76 158.187 0.211 -4.121 1.00 0.24 H new ATOM 0 HB2 ASP B 76 158.684 2.821 -2.601 1.00 0.23 H new ATOM 0 HB3 ASP B 76 158.759 1.248 -1.831 1.00 0.23 H new ATOM 2607 N CYS B 77 155.803 2.247 -3.123 1.00 0.22 N ATOM 2608 CA CYS B 77 154.440 2.207 -2.530 1.00 0.21 C ATOM 2609 C CYS B 77 153.502 1.446 -3.468 1.00 0.22 C ATOM 2610 O CYS B 77 152.675 0.673 -3.036 1.00 0.21 O ATOM 2611 CB CYS B 77 153.928 3.635 -2.340 1.00 0.22 C ATOM 2612 SG CYS B 77 154.860 4.443 -1.017 1.00 0.23 S ATOM 0 H CYS B 77 156.113 3.161 -3.452 1.00 0.22 H new ATOM 0 HA CYS B 77 154.474 1.703 -1.564 1.00 0.21 H new ATOM 0 HB2 CYS B 77 154.034 4.196 -3.268 1.00 0.22 H new ATOM 0 HB3 CYS B 77 152.866 3.622 -2.095 1.00 0.22 H new ATOM 0 HG CYS B 77 155.565 3.556 -0.379 1.00 0.23 H new ATOM 2618 N PHE B 78 153.615 1.658 -4.751 1.00 0.23 N ATOM 2619 CA PHE B 78 152.713 0.940 -5.689 1.00 0.25 C ATOM 2620 C PHE B 78 152.910 -0.568 -5.541 1.00 0.24 C ATOM 2621 O PHE B 78 151.992 -1.296 -5.222 1.00 0.23 O ATOM 2622 CB PHE B 78 153.034 1.366 -7.123 1.00 0.28 C ATOM 2623 CG PHE B 78 152.133 0.638 -8.093 1.00 0.32 C ATOM 2624 CD1 PHE B 78 150.901 1.192 -8.460 1.00 0.36 C ATOM 2625 CD2 PHE B 78 152.537 -0.590 -8.633 1.00 0.38 C ATOM 2626 CE1 PHE B 78 150.073 0.517 -9.367 1.00 0.40 C ATOM 2627 CE2 PHE B 78 151.709 -1.263 -9.538 1.00 0.43 C ATOM 2628 CZ PHE B 78 150.477 -0.710 -9.906 1.00 0.42 C ATOM 0 H PHE B 78 154.287 2.291 -5.185 1.00 0.23 H new ATOM 0 HA PHE B 78 151.676 1.187 -5.460 1.00 0.25 H new ATOM 0 HB2 PHE B 78 152.902 2.443 -7.229 1.00 0.28 H new ATOM 0 HB3 PHE B 78 154.078 1.149 -7.350 1.00 0.28 H new ATOM 0 HD1 PHE B 78 150.589 2.139 -8.045 1.00 0.36 H new ATOM 0 HD2 PHE B 78 153.488 -1.017 -8.351 1.00 0.38 H new ATOM 0 HE1 PHE B 78 149.122 0.944 -9.650 1.00 0.40 H new ATOM 0 HE2 PHE B 78 152.021 -2.210 -9.953 1.00 0.43 H new ATOM 0 HZ PHE B 78 149.839 -1.230 -10.605 1.00 0.42 H new ATOM 2638 N GLY B 79 154.102 -1.045 -5.780 1.00 0.25 N ATOM 2639 CA GLY B 79 154.366 -2.506 -5.666 1.00 0.25 C ATOM 2640 C GLY B 79 154.155 -2.987 -4.227 1.00 0.23 C ATOM 2641 O GLY B 79 153.701 -4.086 -3.995 1.00 0.24 O ATOM 0 H GLY B 79 154.908 -0.481 -6.051 1.00 0.25 H new ATOM 0 HA2 GLY B 79 153.704 -3.053 -6.338 1.00 0.25 H new ATOM 0 HA3 GLY B 79 155.387 -2.721 -5.980 1.00 0.25 H new ATOM 2645 N CYS B 80 154.478 -2.183 -3.257 1.00 0.22 N ATOM 2646 CA CYS B 80 154.286 -2.629 -1.847 1.00 0.21 C ATOM 2647 C CYS B 80 152.795 -2.744 -1.538 1.00 0.21 C ATOM 2648 O CYS B 80 152.330 -3.752 -1.046 1.00 0.22 O ATOM 2649 CB CYS B 80 154.927 -1.618 -0.895 1.00 0.22 C ATOM 2650 SG CYS B 80 154.676 -2.161 0.813 1.00 0.24 S ATOM 0 H CYS B 80 154.863 -1.246 -3.374 1.00 0.22 H new ATOM 0 HA CYS B 80 154.758 -3.603 -1.714 1.00 0.21 H new ATOM 0 HB2 CYS B 80 155.992 -1.527 -1.107 1.00 0.22 H new ATOM 0 HB3 CYS B 80 154.487 -0.632 -1.043 1.00 0.22 H new ATOM 0 HG CYS B 80 154.404 -1.132 1.560 1.00 0.24 H new ATOM 2656 N LEU B 81 152.038 -1.730 -1.839 1.00 0.21 N ATOM 2657 CA LEU B 81 150.577 -1.814 -1.575 1.00 0.21 C ATOM 2658 C LEU B 81 149.944 -2.814 -2.549 1.00 0.21 C ATOM 2659 O LEU B 81 149.075 -3.582 -2.185 1.00 0.22 O ATOM 2660 CB LEU B 81 149.945 -0.435 -1.766 1.00 0.22 C ATOM 2661 CG LEU B 81 150.582 0.569 -0.793 1.00 0.24 C ATOM 2662 CD1 LEU B 81 150.022 1.965 -1.077 1.00 0.29 C ATOM 2663 CD2 LEU B 81 150.274 0.171 0.664 1.00 0.28 C ATOM 0 H LEU B 81 152.362 -0.855 -2.252 1.00 0.21 H new ATOM 0 HA LEU B 81 150.407 -2.148 -0.552 1.00 0.21 H new ATOM 0 HB2 LEU B 81 150.086 -0.099 -2.793 1.00 0.22 H new ATOM 0 HB3 LEU B 81 148.870 -0.490 -1.594 1.00 0.22 H new ATOM 0 HG LEU B 81 151.663 0.569 -0.932 1.00 0.24 H new ATOM 0 HD11 LEU B 81 150.470 2.683 -0.390 1.00 0.29 H new ATOM 0 HD12 LEU B 81 150.256 2.249 -2.103 1.00 0.29 H new ATOM 0 HD13 LEU B 81 148.941 1.958 -0.941 1.00 0.29 H new ATOM 0 HD21 LEU B 81 150.732 0.891 1.342 1.00 0.28 H new ATOM 0 HD22 LEU B 81 149.195 0.162 0.818 1.00 0.28 H new ATOM 0 HD23 LEU B 81 150.677 -0.822 0.863 1.00 0.28 H new ATOM 2675 N ARG B 82 150.368 -2.810 -3.787 1.00 0.22 N ATOM 2676 CA ARG B 82 149.780 -3.762 -4.776 1.00 0.24 C ATOM 2677 C ARG B 82 150.061 -5.201 -4.339 1.00 0.25 C ATOM 2678 O ARG B 82 149.216 -6.066 -4.454 1.00 0.26 O ATOM 2679 CB ARG B 82 150.375 -3.515 -6.166 1.00 0.28 C ATOM 2680 CG ARG B 82 149.756 -4.495 -7.170 1.00 0.32 C ATOM 2681 CD ARG B 82 150.244 -4.161 -8.580 1.00 0.85 C ATOM 2682 NE ARG B 82 149.478 -4.973 -9.586 1.00 1.42 N ATOM 2683 CZ ARG B 82 149.474 -6.279 -9.553 1.00 1.96 C ATOM 2684 NH1 ARG B 82 150.282 -6.925 -8.759 1.00 2.26 N ATOM 2685 NH2 ARG B 82 148.692 -6.945 -10.359 1.00 2.74 N ATOM 0 H ARG B 82 151.092 -2.192 -4.154 1.00 0.22 H new ATOM 0 HA ARG B 82 148.703 -3.604 -4.821 1.00 0.24 H new ATOM 0 HB2 ARG B 82 150.183 -2.488 -6.478 1.00 0.28 H new ATOM 0 HB3 ARG B 82 151.457 -3.642 -6.138 1.00 0.28 H new ATOM 0 HG2 ARG B 82 150.031 -5.518 -6.912 1.00 0.32 H new ATOM 0 HG3 ARG B 82 148.668 -4.437 -7.127 1.00 0.32 H new ATOM 0 HD2 ARG B 82 150.111 -3.098 -8.779 1.00 0.85 H new ATOM 0 HD3 ARG B 82 151.310 -4.370 -8.665 1.00 0.85 H new ATOM 0 HE ARG B 82 148.948 -4.492 -10.313 1.00 1.42 H new ATOM 0 HH11 ARG B 82 150.924 -6.410 -8.157 1.00 2.26 H new ATOM 0 HH12 ARG B 82 150.271 -7.945 -8.740 1.00 2.26 H new ATOM 0 HH21 ARG B 82 148.087 -6.446 -11.011 1.00 2.74 H new ATOM 0 HH22 ARG B 82 148.686 -7.965 -10.337 1.00 2.74 H new ATOM 2699 N GLU B 83 151.236 -5.469 -3.838 1.00 0.25 N ATOM 2700 CA GLU B 83 151.555 -6.856 -3.397 1.00 0.27 C ATOM 2701 C GLU B 83 150.756 -7.198 -2.141 1.00 0.27 C ATOM 2702 O GLU B 83 150.305 -8.314 -1.976 1.00 0.28 O ATOM 2703 CB GLU B 83 153.058 -6.987 -3.117 1.00 0.29 C ATOM 2704 CG GLU B 83 153.822 -7.049 -4.443 1.00 0.33 C ATOM 2705 CD GLU B 83 155.322 -7.159 -4.162 1.00 1.20 C ATOM 2706 OE1 GLU B 83 155.675 -7.368 -3.014 1.00 1.91 O ATOM 2707 OE2 GLU B 83 156.091 -7.032 -5.101 1.00 1.57 O ATOM 0 H GLU B 83 151.987 -4.789 -3.715 1.00 0.25 H new ATOM 0 HA GLU B 83 151.284 -7.552 -4.191 1.00 0.27 H new ATOM 0 HB2 GLU B 83 153.404 -6.139 -2.525 1.00 0.29 H new ATOM 0 HB3 GLU B 83 153.252 -7.885 -2.531 1.00 0.29 H new ATOM 0 HG2 GLU B 83 153.487 -7.905 -5.028 1.00 0.33 H new ATOM 0 HG3 GLU B 83 153.616 -6.158 -5.036 1.00 0.33 H new ATOM 2714 N TRP B 84 150.552 -6.262 -1.253 1.00 0.25 N ATOM 2715 CA TRP B 84 149.756 -6.573 -0.038 1.00 0.25 C ATOM 2716 C TRP B 84 148.365 -7.015 -0.494 1.00 0.26 C ATOM 2717 O TRP B 84 147.799 -7.964 0.014 1.00 0.28 O ATOM 2718 CB TRP B 84 149.647 -5.328 0.845 1.00 0.25 C ATOM 2719 CG TRP B 84 148.961 -5.692 2.121 1.00 0.27 C ATOM 2720 CD1 TRP B 84 149.589 -6.057 3.263 1.00 0.30 C ATOM 2721 CD2 TRP B 84 147.534 -5.748 2.403 1.00 0.29 C ATOM 2722 NE1 TRP B 84 148.638 -6.334 4.227 1.00 0.32 N ATOM 2723 CE2 TRP B 84 147.357 -6.160 3.746 1.00 0.32 C ATOM 2724 CE3 TRP B 84 146.386 -5.486 1.633 1.00 0.31 C ATOM 2725 CZ2 TRP B 84 146.090 -6.307 4.304 1.00 0.35 C ATOM 2726 CZ3 TRP B 84 145.107 -5.634 2.193 1.00 0.35 C ATOM 2727 CH2 TRP B 84 144.961 -6.045 3.526 1.00 0.36 C ATOM 0 H TRP B 84 150.900 -5.305 -1.318 1.00 0.25 H new ATOM 0 HA TRP B 84 150.235 -7.362 0.542 1.00 0.25 H new ATOM 0 HB2 TRP B 84 150.639 -4.926 1.053 1.00 0.25 H new ATOM 0 HB3 TRP B 84 149.089 -4.548 0.327 1.00 0.25 H new ATOM 0 HD1 TRP B 84 150.658 -6.121 3.399 1.00 0.30 H new ATOM 0 HE1 TRP B 84 148.857 -6.631 5.178 1.00 0.32 H new ATOM 0 HE3 TRP B 84 146.489 -5.169 0.606 1.00 0.31 H new ATOM 0 HZ2 TRP B 84 145.981 -6.621 5.331 1.00 0.35 H new ATOM 0 HZ3 TRP B 84 144.231 -5.430 1.594 1.00 0.35 H new ATOM 0 HH2 TRP B 84 143.975 -6.159 3.951 1.00 0.36 H new ATOM 2738 N CYS B 85 147.822 -6.336 -1.468 1.00 0.27 N ATOM 2739 CA CYS B 85 146.477 -6.716 -1.988 1.00 0.30 C ATOM 2740 C CYS B 85 146.558 -8.123 -2.585 1.00 0.33 C ATOM 2741 O CYS B 85 145.671 -8.937 -2.423 1.00 0.36 O ATOM 2742 CB CYS B 85 146.055 -5.720 -3.073 1.00 0.33 C ATOM 2743 SG CYS B 85 145.482 -4.188 -2.299 1.00 0.33 S ATOM 0 H CYS B 85 148.253 -5.533 -1.927 1.00 0.27 H new ATOM 0 HA CYS B 85 145.745 -6.701 -1.180 1.00 0.30 H new ATOM 0 HB2 CYS B 85 146.894 -5.512 -3.737 1.00 0.33 H new ATOM 0 HB3 CYS B 85 145.262 -6.149 -3.686 1.00 0.33 H new ATOM 0 HG CYS B 85 145.126 -3.343 -3.221 1.00 0.33 H new ATOM 2749 N ASP B 86 147.630 -8.407 -3.272 1.00 0.34 N ATOM 2750 CA ASP B 86 147.808 -9.751 -3.888 1.00 0.40 C ATOM 2751 C ASP B 86 147.792 -10.827 -2.801 1.00 0.41 C ATOM 2752 O ASP B 86 147.274 -11.909 -2.992 1.00 0.43 O ATOM 2753 CB ASP B 86 149.143 -9.796 -4.633 1.00 0.42 C ATOM 2754 CG ASP B 86 149.062 -8.909 -5.876 1.00 0.43 C ATOM 2755 OD1 ASP B 86 147.980 -8.798 -6.431 1.00 0.55 O ATOM 2756 OD2 ASP B 86 150.080 -8.350 -6.248 1.00 0.52 O ATOM 0 H ASP B 86 148.399 -7.757 -3.434 1.00 0.34 H new ATOM 0 HA ASP B 86 146.993 -9.937 -4.587 1.00 0.40 H new ATOM 0 HB2 ASP B 86 149.947 -9.455 -3.981 1.00 0.42 H new ATOM 0 HB3 ASP B 86 149.378 -10.821 -4.919 1.00 0.42 H new ATOM 2761 N ALA B 87 148.375 -10.546 -1.664 1.00 0.40 N ATOM 2762 CA ALA B 87 148.413 -11.561 -0.570 1.00 0.43 C ATOM 2763 C ALA B 87 147.155 -11.451 0.291 1.00 0.43 C ATOM 2764 O ALA B 87 146.626 -12.442 0.754 1.00 0.47 O ATOM 2765 CB ALA B 87 149.648 -11.319 0.300 1.00 0.40 C ATOM 0 H ALA B 87 148.826 -9.657 -1.446 1.00 0.40 H new ATOM 0 HA ALA B 87 148.458 -12.558 -1.007 1.00 0.43 H new ATOM 0 HB1 ALA B 87 149.680 -12.058 1.100 1.00 0.40 H new ATOM 0 HB2 ALA B 87 150.546 -11.407 -0.311 1.00 0.40 H new ATOM 0 HB3 ALA B 87 149.599 -10.319 0.731 1.00 0.40 H new ATOM 2771 N PHE B 88 146.679 -10.254 0.529 1.00 0.39 N ATOM 2772 CA PHE B 88 145.465 -10.083 1.385 1.00 0.44 C ATOM 2773 C PHE B 88 144.236 -9.819 0.518 1.00 0.54 C ATOM 2774 O PHE B 88 143.495 -10.721 0.179 1.00 1.24 O ATOM 2775 CB PHE B 88 145.668 -8.886 2.315 1.00 0.41 C ATOM 2776 CG PHE B 88 146.643 -9.240 3.407 1.00 0.38 C ATOM 2777 CD1 PHE B 88 146.183 -9.855 4.577 1.00 0.43 C ATOM 2778 CD2 PHE B 88 148.003 -8.944 3.258 1.00 0.35 C ATOM 2779 CE1 PHE B 88 147.082 -10.175 5.598 1.00 0.46 C ATOM 2780 CE2 PHE B 88 148.902 -9.261 4.282 1.00 0.39 C ATOM 2781 CZ PHE B 88 148.442 -9.877 5.451 1.00 0.44 C ATOM 0 H PHE B 88 147.079 -9.388 0.167 1.00 0.39 H new ATOM 0 HA PHE B 88 145.313 -10.995 1.962 1.00 0.44 H new ATOM 0 HB2 PHE B 88 146.040 -8.033 1.747 1.00 0.41 H new ATOM 0 HB3 PHE B 88 144.714 -8.588 2.751 1.00 0.41 H new ATOM 0 HD1 PHE B 88 145.133 -10.082 4.691 1.00 0.43 H new ATOM 0 HD2 PHE B 88 148.358 -8.472 2.354 1.00 0.35 H new ATOM 0 HE1 PHE B 88 146.728 -10.652 6.500 1.00 0.46 H new ATOM 0 HE2 PHE B 88 149.951 -9.030 4.170 1.00 0.39 H new ATOM 0 HZ PHE B 88 149.137 -10.123 6.241 1.00 0.44 H new ATOM 2791 N LEU B 89 143.995 -8.579 0.182 1.00 0.39 N ATOM 2792 CA LEU B 89 142.798 -8.234 -0.631 1.00 0.36 C ATOM 2793 C LEU B 89 143.099 -8.440 -2.116 1.00 0.87 C ATOM 2794 O LEU B 89 143.649 -7.536 -2.719 1.00 1.43 O ATOM 2795 CB LEU B 89 142.450 -6.763 -0.368 1.00 0.74 C ATOM 2796 CG LEU B 89 141.351 -6.284 -1.323 1.00 0.47 C ATOM 2797 CD1 LEU B 89 140.177 -7.266 -1.312 1.00 1.00 C ATOM 2798 CD2 LEU B 89 140.863 -4.902 -0.868 1.00 1.27 C ATOM 2799 OXT LEU B 89 142.772 -9.499 -2.625 1.00 1.67 O ATOM 0 H LEU B 89 144.583 -7.786 0.439 1.00 0.39 H new ATOM 0 HA LEU B 89 141.960 -8.875 -0.357 1.00 0.36 H new ATOM 0 HB2 LEU B 89 142.120 -6.642 0.664 1.00 0.74 H new ATOM 0 HB3 LEU B 89 143.340 -6.146 -0.492 1.00 0.74 H new ATOM 0 HG LEU B 89 141.753 -6.226 -2.335 1.00 0.47 H new ATOM 0 HD11 LEU B 89 139.403 -6.915 -1.994 1.00 1.00 H new ATOM 0 HD12 LEU B 89 140.522 -8.250 -1.630 1.00 1.00 H new ATOM 0 HD13 LEU B 89 139.769 -7.334 -0.304 1.00 1.00 H new ATOM 0 HD21 LEU B 89 140.081 -4.552 -1.542 1.00 1.27 H new ATOM 0 HD22 LEU B 89 140.466 -4.972 0.145 1.00 1.27 H new ATOM 0 HD23 LEU B 89 141.696 -4.199 -0.883 1.00 1.27 H new TER 2811 LEU B 89