USER MOD reduce.3.24.130724 H: found=0, std=0, add=1398, rem=0, adj=37 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 -140:sc= -0.267 USER MOD Set 1.2: B 7 HIS : no HD1:sc= -1.94! C(o=-2.2!,f=-7.1!) USER MOD Set 2.1: A 3 THR OG1 : rot -140:sc= -0.269 USER MOD Set 2.2: A 7 HIS : no HD1:sc= -1.72! C(o=-2!,f=-6.9!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -154:sc= -0.216 (180deg=-1.27!) USER MOD Single : A 2 THR OG1 : rot 45:sc= -0.0723! USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc=-0.000765 K(o=-0.00076,f=-1.8!) USER MOD Single : A 6 LYS NZ :NH3+ 160:sc= -0.108 (180deg=-0.686) USER MOD Single : A 15 MET CE :methyl -154:sc= -2.86! (180deg=-4.14!) USER MOD Single : A 18 LYS NZ :NH3+ -146:sc= -0.0557 (180deg=-0.635) USER MOD Single : A 22 SER OG : rot -104:sc= 1.18 USER MOD Single : A 32 LYS NZ :NH3+ -176:sc= -2.16! (180deg=-2.66!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -163:sc= 0.382 (180deg=0.262) USER MOD Single : A 43 TYR OH : rot 30:sc= -0.0269 USER MOD Single : A 48 GLN : amide:sc= -1.4 K(o=-1.4,f=-0.22) USER MOD Single : A 53 LYS NZ :NH3+ -158:sc= -0.264 (180deg=-1.14) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 66:sc= 0.92 USER MOD Single : A 67 CYS SG : rot -60:sc= 0.678 USER MOD Single : A 70 ASN : amide:sc= -1.8 X(o=-1.8,f=-2) USER MOD Single : A 72 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000561) USER MOD Single : A 73 GLN : amide:sc= -0.781! K(o=-0.78!,f=-1.6) USER MOD Single : A 74 SER OG : rot 110:sc= -0.827 USER MOD Single : A 77 CYS SG : rot -31:sc= -1.53 USER MOD Single : A 80 CYS SG : rot -140:sc= -0.782 USER MOD Single : A 85 CYS SG : rot 83:sc= -2.38 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -141:sc= -0.253 (180deg=-1.25!) USER MOD Single : B 2 THR OG1 : rot 42:sc= -0.0753! USER MOD Single : B 4 SER OG : rot 180:sc= 0 USER MOD Single : B 5 GLN : amide:sc= -0.021 K(o=-0.021,f=-1.7!) USER MOD Single : B 6 LYS NZ :NH3+ 158:sc= -0.104 (180deg=-0.711) USER MOD Single : B 15 MET CE :methyl -161:sc= -2.83! (180deg=-4.01!) USER MOD Single : B 18 LYS NZ :NH3+ -160:sc= -0.108 (180deg=-0.603) USER MOD Single : B 22 SER OG : rot -90:sc= 1.14 USER MOD Single : B 32 LYS NZ :NH3+ -172:sc= -1.88! (180deg=-2.83!) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 LYS NZ :NH3+ -163:sc= 0.396 (180deg=0.26) USER MOD Single : B 43 TYR OH : rot 30:sc= -0.115 USER MOD Single : B 48 GLN : amide:sc= -1.39 K(o=-1.4,f=-0.21) USER MOD Single : B 53 LYS NZ :NH3+ -153:sc= -0.273 (180deg=-1.02) USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 THR OG1 : rot 94:sc= 0.83 USER MOD Single : B 67 CYS SG : rot -35:sc= 0.651 USER MOD Single : B 70 ASN : amide:sc= -1.95! C(o=-2!,f=-2.2!) USER MOD Single : B 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 73 GLN : amide:sc= -0.986! K(o=-0.99!,f=-1.7) USER MOD Single : B 74 SER OG : rot 110:sc= -0.836 USER MOD Single : B 77 CYS SG : rot -16:sc= -1.56 USER MOD Single : B 80 CYS SG : rot -140:sc= -0.759 USER MOD Single : B 85 CYS SG : rot 83:sc= -2.42 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 120.698 -6.357 12.946 1.00 3.75 N ATOM 2 CA MET A 1 121.534 -6.887 11.832 1.00 3.27 C ATOM 3 C MET A 1 120.644 -7.690 10.879 1.00 2.28 C ATOM 4 O MET A 1 120.180 -7.184 9.877 1.00 2.68 O ATOM 5 CB MET A 1 122.631 -7.788 12.406 1.00 3.76 C ATOM 6 CG MET A 1 123.454 -6.997 13.428 1.00 4.33 C ATOM 7 SD MET A 1 124.448 -5.740 12.579 1.00 5.05 S ATOM 8 CE MET A 1 126.067 -6.533 12.756 1.00 5.68 C ATOM 0 H1 MET A 1 121.138 -5.497 13.331 1.00 3.75 H new ATOM 0 H2 MET A 1 119.748 -6.131 12.589 1.00 3.75 H new ATOM 0 H3 MET A 1 120.625 -7.074 13.696 1.00 3.75 H new ATOM 0 HA MET A 1 121.997 -6.064 11.288 1.00 3.27 H new ATOM 0 HB2 MET A 1 122.187 -8.664 12.879 1.00 3.76 H new ATOM 0 HB3 MET A 1 123.276 -8.150 11.605 1.00 3.76 H new ATOM 0 HG2 MET A 1 122.792 -6.522 14.152 1.00 4.33 H new ATOM 0 HG3 MET A 1 124.104 -7.672 13.985 1.00 4.33 H new ATOM 0 HE1 MET A 1 126.831 -5.909 12.291 1.00 5.68 H new ATOM 0 HE2 MET A 1 126.296 -6.660 13.814 1.00 5.68 H new ATOM 0 HE3 MET A 1 126.050 -7.508 12.269 1.00 5.68 H new ATOM 20 N THR A 2 120.396 -8.937 11.187 1.00 1.63 N ATOM 21 CA THR A 2 119.525 -9.770 10.307 1.00 1.44 C ATOM 22 C THR A 2 119.993 -9.648 8.853 1.00 1.17 C ATOM 23 O THR A 2 119.197 -9.522 7.944 1.00 1.22 O ATOM 24 CB THR A 2 118.065 -9.300 10.429 1.00 2.22 C ATOM 25 OG1 THR A 2 118.025 -7.881 10.478 1.00 2.76 O ATOM 26 CG2 THR A 2 117.441 -9.867 11.707 1.00 3.02 C ATOM 0 H THR A 2 120.760 -9.414 12.012 1.00 1.63 H new ATOM 0 HA THR A 2 119.591 -10.813 10.616 1.00 1.44 H new ATOM 0 HB THR A 2 117.503 -9.654 9.564 1.00 2.22 H new ATOM 0 HG1 THR A 2 118.622 -7.513 9.794 1.00 2.76 H new ATOM 0 HG21 THR A 2 116.407 -9.531 11.787 1.00 3.02 H new ATOM 0 HG22 THR A 2 117.466 -10.956 11.672 1.00 3.02 H new ATOM 0 HG23 THR A 2 118.004 -9.519 12.573 1.00 3.02 H new ATOM 34 N THR A 3 121.278 -9.682 8.625 1.00 0.96 N ATOM 35 CA THR A 3 121.790 -9.563 7.229 1.00 0.75 C ATOM 36 C THR A 3 121.641 -10.905 6.505 1.00 0.69 C ATOM 37 O THR A 3 121.485 -11.942 7.119 1.00 0.74 O ATOM 38 CB THR A 3 123.267 -9.158 7.258 1.00 0.68 C ATOM 39 OG1 THR A 3 124.037 -10.218 7.808 1.00 0.79 O ATOM 40 CG2 THR A 3 123.441 -7.901 8.114 1.00 0.75 C ATOM 0 H THR A 3 121.995 -9.787 9.343 1.00 0.96 H new ATOM 0 HA THR A 3 121.215 -8.804 6.699 1.00 0.75 H new ATOM 0 HB THR A 3 123.605 -8.951 6.243 1.00 0.68 H new ATOM 0 HG1 THR A 3 124.730 -9.849 8.394 1.00 0.79 H new ATOM 0 HG21 THR A 3 124.493 -7.616 8.132 1.00 0.75 H new ATOM 0 HG22 THR A 3 122.852 -7.088 7.690 1.00 0.75 H new ATOM 0 HG23 THR A 3 123.102 -8.103 9.130 1.00 0.75 H new ATOM 48 N SER A 4 121.690 -10.889 5.200 1.00 0.63 N ATOM 49 CA SER A 4 121.550 -12.156 4.424 1.00 0.61 C ATOM 50 C SER A 4 122.822 -12.993 4.576 1.00 0.60 C ATOM 51 O SER A 4 123.825 -12.544 5.096 1.00 0.57 O ATOM 52 CB SER A 4 121.331 -11.824 2.946 1.00 0.63 C ATOM 53 OG SER A 4 122.490 -11.180 2.432 1.00 1.51 O ATOM 0 H SER A 4 121.821 -10.050 4.635 1.00 0.63 H new ATOM 0 HA SER A 4 120.698 -12.721 4.801 1.00 0.61 H new ATOM 0 HB2 SER A 4 121.127 -12.735 2.383 1.00 0.63 H new ATOM 0 HB3 SER A 4 120.461 -11.178 2.832 1.00 0.63 H new ATOM 0 HG SER A 4 122.353 -10.968 1.485 1.00 1.51 H new ATOM 59 N GLN A 5 122.770 -14.223 4.134 1.00 0.63 N ATOM 60 CA GLN A 5 123.947 -15.129 4.252 1.00 0.64 C ATOM 61 C GLN A 5 125.146 -14.540 3.505 1.00 0.60 C ATOM 62 O GLN A 5 126.283 -14.865 3.786 1.00 0.59 O ATOM 63 CB GLN A 5 123.589 -16.501 3.670 1.00 0.71 C ATOM 64 CG GLN A 5 124.789 -17.442 3.786 1.00 1.34 C ATOM 65 CD GLN A 5 124.372 -18.853 3.360 1.00 1.60 C ATOM 66 OE1 GLN A 5 123.198 -19.140 3.239 1.00 2.09 O ATOM 67 NE2 GLN A 5 125.290 -19.749 3.115 1.00 2.18 N ATOM 0 H GLN A 5 121.952 -14.641 3.691 1.00 0.63 H new ATOM 0 HA GLN A 5 124.214 -15.238 5.303 1.00 0.64 H new ATOM 0 HB2 GLN A 5 122.734 -16.920 4.201 1.00 0.71 H new ATOM 0 HB3 GLN A 5 123.296 -16.398 2.625 1.00 0.71 H new ATOM 0 HG2 GLN A 5 125.606 -17.087 3.157 1.00 1.34 H new ATOM 0 HG3 GLN A 5 125.158 -17.454 4.812 1.00 1.34 H new ATOM 0 HE21 GLN A 5 126.276 -19.509 3.216 1.00 2.18 H new ATOM 0 HE22 GLN A 5 125.021 -20.688 2.822 1.00 2.18 H new ATOM 76 N LYS A 6 124.907 -13.673 2.557 1.00 0.59 N ATOM 77 CA LYS A 6 126.032 -13.060 1.797 1.00 0.57 C ATOM 78 C LYS A 6 126.939 -12.303 2.767 1.00 0.51 C ATOM 79 O LYS A 6 128.147 -12.303 2.631 1.00 0.50 O ATOM 80 CB LYS A 6 125.464 -12.080 0.767 1.00 0.58 C ATOM 81 CG LYS A 6 124.746 -12.859 -0.337 1.00 0.65 C ATOM 82 CD LYS A 6 124.178 -11.881 -1.366 1.00 0.81 C ATOM 83 CE LYS A 6 123.459 -12.662 -2.469 1.00 1.26 C ATOM 84 NZ LYS A 6 122.348 -13.455 -1.873 1.00 2.02 N ATOM 0 H LYS A 6 123.977 -13.363 2.276 1.00 0.59 H new ATOM 0 HA LYS A 6 126.604 -13.837 1.290 1.00 0.57 H new ATOM 0 HB2 LYS A 6 124.772 -11.390 1.249 1.00 0.58 H new ATOM 0 HB3 LYS A 6 126.267 -11.479 0.340 1.00 0.58 H new ATOM 0 HG2 LYS A 6 125.439 -13.549 -0.819 1.00 0.65 H new ATOM 0 HG3 LYS A 6 123.943 -13.460 0.091 1.00 0.65 H new ATOM 0 HD2 LYS A 6 123.486 -11.191 -0.884 1.00 0.81 H new ATOM 0 HD3 LYS A 6 124.980 -11.281 -1.795 1.00 0.81 H new ATOM 0 HE2 LYS A 6 123.068 -11.975 -3.220 1.00 1.26 H new ATOM 0 HE3 LYS A 6 124.160 -13.324 -2.977 1.00 1.26 H new ATOM 0 HZ1 LYS A 6 121.664 -13.707 -2.615 1.00 2.02 H new ATOM 0 HZ2 LYS A 6 122.731 -14.323 -1.446 1.00 2.02 H new ATOM 0 HZ3 LYS A 6 121.872 -12.890 -1.141 1.00 2.02 H new ATOM 98 N HIS A 7 126.369 -11.649 3.736 1.00 0.49 N ATOM 99 CA HIS A 7 127.195 -10.880 4.706 1.00 0.45 C ATOM 100 C HIS A 7 128.221 -11.804 5.375 1.00 0.45 C ATOM 101 O HIS A 7 129.395 -11.497 5.441 1.00 0.43 O ATOM 102 CB HIS A 7 126.268 -10.262 5.764 1.00 0.45 C ATOM 103 CG HIS A 7 127.066 -9.770 6.943 1.00 0.42 C ATOM 104 ND1 HIS A 7 127.341 -8.425 7.148 1.00 0.38 N ATOM 105 CD2 HIS A 7 127.649 -10.437 7.992 1.00 0.45 C ATOM 106 CE1 HIS A 7 128.060 -8.329 8.284 1.00 0.38 C ATOM 107 NE2 HIS A 7 128.272 -9.526 8.833 1.00 0.42 N ATOM 0 H HIS A 7 125.363 -11.613 3.900 1.00 0.49 H new ATOM 0 HA HIS A 7 127.735 -10.090 4.185 1.00 0.45 H new ATOM 0 HB2 HIS A 7 125.707 -9.436 5.327 1.00 0.45 H new ATOM 0 HB3 HIS A 7 125.539 -11.002 6.094 1.00 0.45 H new ATOM 0 HD2 HIS A 7 127.626 -11.507 8.140 1.00 0.45 H new ATOM 0 HE1 HIS A 7 128.420 -7.399 8.698 1.00 0.38 H new ATOM 0 HE2 HIS A 7 128.785 -9.729 9.691 1.00 0.42 H new ATOM 115 N ARG A 8 127.784 -12.930 5.882 1.00 0.48 N ATOM 116 CA ARG A 8 128.716 -13.872 6.559 1.00 0.50 C ATOM 117 C ARG A 8 129.648 -14.518 5.532 1.00 0.51 C ATOM 118 O ARG A 8 130.799 -14.793 5.807 1.00 0.51 O ATOM 119 CB ARG A 8 127.896 -14.963 7.252 1.00 0.55 C ATOM 120 CG ARG A 8 127.120 -14.351 8.420 1.00 0.57 C ATOM 121 CD ARG A 8 126.256 -15.425 9.085 1.00 1.00 C ATOM 122 NE ARG A 8 127.126 -16.424 9.764 1.00 1.69 N ATOM 123 CZ ARG A 8 126.619 -17.222 10.666 1.00 2.27 C ATOM 124 NH1 ARG A 8 125.346 -17.162 10.948 1.00 2.42 N ATOM 125 NH2 ARG A 8 127.384 -18.081 11.280 1.00 3.21 N ATOM 0 H ARG A 8 126.811 -13.236 5.853 1.00 0.48 H new ATOM 0 HA ARG A 8 129.315 -13.328 7.289 1.00 0.50 H new ATOM 0 HB2 ARG A 8 127.206 -15.421 6.543 1.00 0.55 H new ATOM 0 HB3 ARG A 8 128.554 -15.754 7.613 1.00 0.55 H new ATOM 0 HG2 ARG A 8 127.813 -13.927 9.147 1.00 0.57 H new ATOM 0 HG3 ARG A 8 126.492 -13.535 8.064 1.00 0.57 H new ATOM 0 HD2 ARG A 8 125.582 -14.966 9.808 1.00 1.00 H new ATOM 0 HD3 ARG A 8 125.635 -15.919 8.338 1.00 1.00 H new ATOM 0 HE ARG A 8 128.116 -16.485 9.526 1.00 1.69 H new ATOM 0 HH11 ARG A 8 124.748 -16.492 10.464 1.00 2.42 H new ATOM 0 HH12 ARG A 8 124.950 -17.785 11.652 1.00 2.42 H new ATOM 0 HH21 ARG A 8 128.378 -18.130 11.056 1.00 3.21 H new ATOM 0 HH22 ARG A 8 126.989 -18.704 11.984 1.00 3.21 H new ATOM 139 N ASP A 9 129.161 -14.752 4.349 1.00 0.52 N ATOM 140 CA ASP A 9 130.019 -15.369 3.299 1.00 0.54 C ATOM 141 C ASP A 9 131.072 -14.363 2.836 1.00 0.49 C ATOM 142 O ASP A 9 132.196 -14.716 2.536 1.00 0.49 O ATOM 143 CB ASP A 9 129.165 -15.796 2.106 1.00 0.61 C ATOM 144 CG ASP A 9 128.292 -16.989 2.498 1.00 0.68 C ATOM 145 OD1 ASP A 9 128.515 -17.536 3.565 1.00 0.67 O ATOM 146 OD2 ASP A 9 127.422 -17.341 1.719 1.00 0.76 O ATOM 0 H ASP A 9 128.205 -14.543 4.061 1.00 0.52 H new ATOM 0 HA ASP A 9 130.512 -16.246 3.718 1.00 0.54 H new ATOM 0 HB2 ASP A 9 128.538 -14.966 1.779 1.00 0.61 H new ATOM 0 HB3 ASP A 9 129.805 -16.062 1.265 1.00 0.61 H new ATOM 151 N PHE A 10 130.708 -13.114 2.759 1.00 0.46 N ATOM 152 CA PHE A 10 131.673 -12.077 2.296 1.00 0.43 C ATOM 153 C PHE A 10 132.832 -11.964 3.293 1.00 0.38 C ATOM 154 O PHE A 10 133.982 -11.867 2.913 1.00 0.36 O ATOM 155 CB PHE A 10 130.939 -10.737 2.206 1.00 0.45 C ATOM 156 CG PHE A 10 131.819 -9.696 1.555 1.00 0.43 C ATOM 157 CD1 PHE A 10 131.789 -9.528 0.165 1.00 0.44 C ATOM 158 CD2 PHE A 10 132.656 -8.894 2.339 1.00 0.43 C ATOM 159 CE1 PHE A 10 132.595 -8.557 -0.440 1.00 0.44 C ATOM 160 CE2 PHE A 10 133.463 -7.923 1.732 1.00 0.43 C ATOM 161 CZ PHE A 10 133.431 -7.755 0.344 1.00 0.43 C ATOM 0 H PHE A 10 129.780 -12.765 2.998 1.00 0.46 H new ATOM 0 HA PHE A 10 132.074 -12.351 1.320 1.00 0.43 H new ATOM 0 HB2 PHE A 10 130.020 -10.856 1.631 1.00 0.45 H new ATOM 0 HB3 PHE A 10 130.650 -10.406 3.204 1.00 0.45 H new ATOM 0 HD1 PHE A 10 131.144 -10.148 -0.440 1.00 0.44 H new ATOM 0 HD2 PHE A 10 132.680 -9.024 3.411 1.00 0.43 H new ATOM 0 HE1 PHE A 10 132.572 -8.427 -1.512 1.00 0.44 H new ATOM 0 HE2 PHE A 10 134.110 -7.304 2.336 1.00 0.43 H new ATOM 0 HZ PHE A 10 134.052 -7.005 -0.123 1.00 0.43 H new ATOM 171 N VAL A 11 132.538 -11.969 4.565 1.00 0.37 N ATOM 172 CA VAL A 11 133.619 -11.853 5.590 1.00 0.35 C ATOM 173 C VAL A 11 134.234 -13.230 5.871 1.00 0.37 C ATOM 174 O VAL A 11 134.927 -13.412 6.853 1.00 0.38 O ATOM 175 CB VAL A 11 133.028 -11.290 6.885 1.00 0.37 C ATOM 176 CG1 VAL A 11 132.295 -9.979 6.587 1.00 0.44 C ATOM 177 CG2 VAL A 11 132.045 -12.303 7.478 1.00 0.40 C ATOM 0 H VAL A 11 131.593 -12.049 4.941 1.00 0.37 H new ATOM 0 HA VAL A 11 134.396 -11.187 5.214 1.00 0.35 H new ATOM 0 HB VAL A 11 133.830 -11.101 7.598 1.00 0.37 H new ATOM 0 HG11 VAL A 11 131.875 -9.579 7.510 1.00 0.44 H new ATOM 0 HG12 VAL A 11 132.996 -9.258 6.165 1.00 0.44 H new ATOM 0 HG13 VAL A 11 131.492 -10.165 5.873 1.00 0.44 H new ATOM 0 HG21 VAL A 11 131.623 -11.904 8.400 1.00 0.40 H new ATOM 0 HG22 VAL A 11 131.243 -12.492 6.764 1.00 0.40 H new ATOM 0 HG23 VAL A 11 132.568 -13.235 7.692 1.00 0.40 H new ATOM 187 N ALA A 12 133.985 -14.201 5.022 1.00 0.41 N ATOM 188 CA ALA A 12 134.551 -15.575 5.239 1.00 0.48 C ATOM 189 C ALA A 12 135.492 -15.949 4.092 1.00 0.46 C ATOM 190 O ALA A 12 136.199 -16.935 4.159 1.00 0.49 O ATOM 191 CB ALA A 12 133.408 -16.591 5.297 1.00 0.54 C ATOM 0 H ALA A 12 133.412 -14.101 4.184 1.00 0.41 H new ATOM 0 HA ALA A 12 135.108 -15.582 6.176 1.00 0.48 H new ATOM 0 HB1 ALA A 12 133.816 -17.589 5.454 1.00 0.54 H new ATOM 0 HB2 ALA A 12 132.738 -16.339 6.119 1.00 0.54 H new ATOM 0 HB3 ALA A 12 132.854 -16.569 4.359 1.00 0.54 H new ATOM 197 N GLU A 13 135.527 -15.169 3.044 1.00 0.43 N ATOM 198 CA GLU A 13 136.445 -15.490 1.910 1.00 0.43 C ATOM 199 C GLU A 13 136.765 -14.205 1.131 1.00 0.40 C ATOM 200 O GLU A 13 135.944 -13.312 1.058 1.00 0.37 O ATOM 201 CB GLU A 13 135.776 -16.505 0.978 1.00 0.46 C ATOM 202 CG GLU A 13 134.382 -16.007 0.577 1.00 0.48 C ATOM 203 CD GLU A 13 133.885 -16.809 -0.627 1.00 0.61 C ATOM 204 OE1 GLU A 13 134.259 -17.964 -0.740 1.00 1.26 O ATOM 205 OE2 GLU A 13 133.141 -16.253 -1.418 1.00 1.05 O ATOM 0 H GLU A 13 134.963 -14.328 2.924 1.00 0.43 H new ATOM 0 HA GLU A 13 137.369 -15.916 2.301 1.00 0.43 H new ATOM 0 HB2 GLU A 13 136.388 -16.653 0.089 1.00 0.46 H new ATOM 0 HB3 GLU A 13 135.697 -17.472 1.476 1.00 0.46 H new ATOM 0 HG2 GLU A 13 133.690 -16.117 1.412 1.00 0.48 H new ATOM 0 HG3 GLU A 13 134.419 -14.946 0.331 1.00 0.48 H new ATOM 212 N PRO A 14 137.931 -14.106 0.533 1.00 0.42 N ATOM 213 CA PRO A 14 138.305 -12.903 -0.259 1.00 0.40 C ATOM 214 C PRO A 14 137.121 -12.400 -1.095 1.00 0.36 C ATOM 215 O PRO A 14 136.228 -13.153 -1.428 1.00 0.36 O ATOM 216 CB PRO A 14 139.437 -13.408 -1.163 1.00 0.45 C ATOM 217 CG PRO A 14 140.087 -14.525 -0.399 1.00 0.49 C ATOM 218 CD PRO A 14 139.016 -15.108 0.542 1.00 0.48 C ATOM 0 HA PRO A 14 138.602 -12.061 0.367 1.00 0.40 H new ATOM 0 HB2 PRO A 14 139.049 -13.759 -2.119 1.00 0.45 H new ATOM 0 HB3 PRO A 14 140.151 -12.613 -1.381 1.00 0.45 H new ATOM 0 HG2 PRO A 14 140.462 -15.290 -1.079 1.00 0.49 H new ATOM 0 HG3 PRO A 14 140.941 -14.158 0.169 1.00 0.49 H new ATOM 0 HD2 PRO A 14 138.664 -16.078 0.190 1.00 0.48 H new ATOM 0 HD3 PRO A 14 139.410 -15.258 1.547 1.00 0.48 H new ATOM 226 N MET A 15 137.103 -11.142 -1.442 1.00 0.35 N ATOM 227 CA MET A 15 135.970 -10.615 -2.261 1.00 0.35 C ATOM 228 C MET A 15 136.325 -10.733 -3.745 1.00 0.36 C ATOM 229 O MET A 15 135.467 -10.724 -4.606 1.00 0.39 O ATOM 230 CB MET A 15 135.714 -9.151 -1.903 1.00 0.37 C ATOM 231 CG MET A 15 137.036 -8.382 -1.874 1.00 0.41 C ATOM 232 SD MET A 15 136.698 -6.603 -1.969 1.00 0.57 S ATOM 233 CE MET A 15 136.778 -6.237 -0.196 1.00 0.43 C ATOM 0 H MET A 15 137.819 -10.458 -1.196 1.00 0.35 H new ATOM 0 HA MET A 15 135.069 -11.193 -2.056 1.00 0.35 H new ATOM 0 HB2 MET A 15 135.039 -8.702 -2.631 1.00 0.37 H new ATOM 0 HB3 MET A 15 135.224 -9.086 -0.931 1.00 0.37 H new ATOM 0 HG2 MET A 15 137.583 -8.611 -0.960 1.00 0.41 H new ATOM 0 HG3 MET A 15 137.667 -8.689 -2.708 1.00 0.41 H new ATOM 0 HE1 MET A 15 136.173 -5.357 0.021 1.00 0.43 H new ATOM 0 HE2 MET A 15 136.397 -7.088 0.369 1.00 0.43 H new ATOM 0 HE3 MET A 15 137.812 -6.046 0.090 1.00 0.43 H new ATOM 243 N GLY A 16 137.591 -10.860 -4.042 1.00 0.37 N ATOM 244 CA GLY A 16 138.025 -10.996 -5.462 1.00 0.40 C ATOM 245 C GLY A 16 137.478 -9.835 -6.295 1.00 0.40 C ATOM 246 O GLY A 16 137.497 -8.694 -5.880 1.00 0.38 O ATOM 0 H GLY A 16 138.347 -10.875 -3.357 1.00 0.37 H new ATOM 0 HA2 GLY A 16 139.113 -11.012 -5.517 1.00 0.40 H new ATOM 0 HA3 GLY A 16 137.671 -11.943 -5.869 1.00 0.40 H new ATOM 250 N GLU A 17 137.017 -10.125 -7.487 1.00 0.41 N ATOM 251 CA GLU A 17 136.491 -9.056 -8.394 1.00 0.42 C ATOM 252 C GLU A 17 134.966 -9.120 -8.468 1.00 0.40 C ATOM 253 O GLU A 17 134.372 -8.775 -9.470 1.00 0.40 O ATOM 254 CB GLU A 17 137.085 -9.257 -9.788 1.00 0.47 C ATOM 255 CG GLU A 17 138.576 -8.916 -9.754 1.00 0.52 C ATOM 256 CD GLU A 17 139.195 -9.167 -11.129 1.00 0.57 C ATOM 257 OE1 GLU A 17 138.552 -9.817 -11.936 1.00 0.76 O ATOM 258 OE2 GLU A 17 140.300 -8.700 -11.353 1.00 0.85 O ATOM 0 H GLU A 17 136.982 -11.068 -7.875 1.00 0.41 H new ATOM 0 HA GLU A 17 136.775 -8.079 -8.003 1.00 0.42 H new ATOM 0 HB2 GLU A 17 136.943 -10.288 -10.112 1.00 0.47 H new ATOM 0 HB3 GLU A 17 136.571 -8.623 -10.510 1.00 0.47 H new ATOM 0 HG2 GLU A 17 138.714 -7.873 -9.468 1.00 0.52 H new ATOM 0 HG3 GLU A 17 139.080 -9.522 -9.002 1.00 0.52 H new ATOM 265 N LYS A 18 134.321 -9.551 -7.418 1.00 0.38 N ATOM 266 CA LYS A 18 132.835 -9.622 -7.449 1.00 0.36 C ATOM 267 C LYS A 18 132.299 -8.204 -7.696 1.00 0.32 C ATOM 268 O LYS A 18 132.917 -7.236 -7.301 1.00 0.31 O ATOM 269 CB LYS A 18 132.318 -10.127 -6.098 1.00 0.36 C ATOM 270 CG LYS A 18 132.680 -11.604 -5.922 1.00 0.45 C ATOM 271 CD LYS A 18 132.479 -12.003 -4.457 1.00 1.17 C ATOM 272 CE LYS A 18 132.951 -13.442 -4.245 1.00 1.44 C ATOM 273 NZ LYS A 18 132.261 -14.341 -5.211 1.00 2.01 N ATOM 0 H LYS A 18 134.756 -9.855 -6.547 1.00 0.38 H new ATOM 0 HA LYS A 18 132.504 -10.301 -8.235 1.00 0.36 H new ATOM 0 HB2 LYS A 18 132.752 -9.538 -5.290 1.00 0.36 H new ATOM 0 HB3 LYS A 18 131.237 -9.999 -6.041 1.00 0.36 H new ATOM 0 HG2 LYS A 18 132.057 -12.223 -6.568 1.00 0.45 H new ATOM 0 HG3 LYS A 18 133.715 -11.775 -6.219 1.00 0.45 H new ATOM 0 HD2 LYS A 18 133.035 -11.328 -3.807 1.00 1.17 H new ATOM 0 HD3 LYS A 18 131.427 -11.911 -4.186 1.00 1.17 H new ATOM 0 HE2 LYS A 18 134.031 -13.505 -4.381 1.00 1.44 H new ATOM 0 HE3 LYS A 18 132.740 -13.758 -3.224 1.00 1.44 H new ATOM 0 HZ1 LYS A 18 132.096 -15.267 -4.767 1.00 2.01 H new ATOM 0 HZ2 LYS A 18 131.350 -13.922 -5.485 1.00 2.01 H new ATOM 0 HZ3 LYS A 18 132.854 -14.463 -6.056 1.00 2.01 H new ATOM 287 N PRO A 19 131.177 -8.070 -8.361 1.00 0.31 N ATOM 288 CA PRO A 19 130.593 -6.730 -8.669 1.00 0.29 C ATOM 289 C PRO A 19 130.235 -5.938 -7.406 1.00 0.25 C ATOM 290 O PRO A 19 130.071 -6.487 -6.334 1.00 0.24 O ATOM 291 CB PRO A 19 129.339 -7.048 -9.508 1.00 0.32 C ATOM 292 CG PRO A 19 129.010 -8.475 -9.198 1.00 0.33 C ATOM 293 CD PRO A 19 130.340 -9.161 -8.889 1.00 0.34 C ATOM 0 HA PRO A 19 131.304 -6.094 -9.196 1.00 0.29 H new ATOM 0 HB2 PRO A 19 128.512 -6.388 -9.246 1.00 0.32 H new ATOM 0 HB3 PRO A 19 129.532 -6.911 -10.572 1.00 0.32 H new ATOM 0 HG2 PRO A 19 128.331 -8.542 -8.348 1.00 0.33 H new ATOM 0 HG3 PRO A 19 128.513 -8.952 -10.042 1.00 0.33 H new ATOM 0 HD2 PRO A 19 130.218 -9.962 -8.160 1.00 0.34 H new ATOM 0 HD3 PRO A 19 130.778 -9.607 -9.782 1.00 0.34 H new ATOM 301 N VAL A 20 130.125 -4.647 -7.539 1.00 0.25 N ATOM 302 CA VAL A 20 129.792 -3.786 -6.371 1.00 0.23 C ATOM 303 C VAL A 20 128.470 -4.231 -5.735 1.00 0.21 C ATOM 304 O VAL A 20 128.365 -4.394 -4.536 1.00 0.23 O ATOM 305 CB VAL A 20 129.685 -2.328 -6.838 1.00 0.27 C ATOM 306 CG1 VAL A 20 128.634 -2.209 -7.950 1.00 0.32 C ATOM 307 CG2 VAL A 20 129.289 -1.435 -5.655 1.00 0.29 C ATOM 0 H VAL A 20 130.253 -4.145 -8.418 1.00 0.25 H new ATOM 0 HA VAL A 20 130.579 -3.876 -5.622 1.00 0.23 H new ATOM 0 HB VAL A 20 130.651 -2.007 -7.226 1.00 0.27 H new ATOM 0 HG11 VAL A 20 128.565 -1.171 -8.275 1.00 0.32 H new ATOM 0 HG12 VAL A 20 128.924 -2.835 -8.794 1.00 0.32 H new ATOM 0 HG13 VAL A 20 127.665 -2.536 -7.572 1.00 0.32 H new ATOM 0 HG21 VAL A 20 129.214 -0.400 -5.989 1.00 0.29 H new ATOM 0 HG22 VAL A 20 128.326 -1.760 -5.260 1.00 0.29 H new ATOM 0 HG23 VAL A 20 130.045 -1.510 -4.874 1.00 0.29 H new ATOM 317 N GLY A 21 127.458 -4.404 -6.541 1.00 0.23 N ATOM 318 CA GLY A 21 126.125 -4.812 -6.009 1.00 0.21 C ATOM 319 C GLY A 21 126.243 -6.087 -5.168 1.00 0.20 C ATOM 320 O GLY A 21 125.270 -6.561 -4.617 1.00 0.19 O ATOM 0 H GLY A 21 127.497 -4.279 -7.553 1.00 0.23 H new ATOM 0 HA2 GLY A 21 125.709 -4.008 -5.402 1.00 0.21 H new ATOM 0 HA3 GLY A 21 125.434 -4.978 -6.835 1.00 0.21 H new ATOM 324 N SER A 22 127.415 -6.653 -5.055 1.00 0.20 N ATOM 325 CA SER A 22 127.560 -7.898 -4.243 1.00 0.20 C ATOM 326 C SER A 22 127.693 -7.540 -2.764 1.00 0.19 C ATOM 327 O SER A 22 127.397 -8.335 -1.892 1.00 0.20 O ATOM 328 CB SER A 22 128.814 -8.643 -4.683 1.00 0.23 C ATOM 329 OG SER A 22 129.963 -7.924 -4.252 1.00 1.24 O ATOM 0 H SER A 22 128.274 -6.311 -5.486 1.00 0.20 H new ATOM 0 HA SER A 22 126.680 -8.525 -4.390 1.00 0.20 H new ATOM 0 HB2 SER A 22 128.821 -9.648 -4.262 1.00 0.23 H new ATOM 0 HB3 SER A 22 128.825 -8.752 -5.767 1.00 0.23 H new ATOM 0 HG SER A 22 130.364 -7.460 -5.016 1.00 1.24 H new ATOM 335 N LEU A 23 128.149 -6.359 -2.475 1.00 0.17 N ATOM 336 CA LEU A 23 128.319 -5.954 -1.048 1.00 0.18 C ATOM 337 C LEU A 23 126.967 -5.983 -0.336 1.00 0.18 C ATOM 338 O LEU A 23 125.953 -5.575 -0.867 1.00 0.17 O ATOM 339 CB LEU A 23 128.900 -4.540 -0.982 1.00 0.18 C ATOM 340 CG LEU A 23 130.363 -4.543 -1.458 1.00 0.21 C ATOM 341 CD1 LEU A 23 130.835 -3.096 -1.647 1.00 0.23 C ATOM 342 CD2 LEU A 23 131.268 -5.243 -0.421 1.00 0.24 C ATOM 0 H LEU A 23 128.413 -5.652 -3.162 1.00 0.17 H new ATOM 0 HA LEU A 23 128.999 -6.650 -0.557 1.00 0.18 H new ATOM 0 HB2 LEU A 23 128.309 -3.867 -1.604 1.00 0.18 H new ATOM 0 HB3 LEU A 23 128.843 -4.163 0.039 1.00 0.18 H new ATOM 0 HG LEU A 23 130.426 -5.085 -2.402 1.00 0.21 H new ATOM 0 HD11 LEU A 23 131.871 -3.093 -1.984 1.00 0.23 H new ATOM 0 HD12 LEU A 23 130.209 -2.604 -2.391 1.00 0.23 H new ATOM 0 HD13 LEU A 23 130.760 -2.562 -0.700 1.00 0.23 H new ATOM 0 HD21 LEU A 23 132.299 -5.236 -0.774 1.00 0.24 H new ATOM 0 HD22 LEU A 23 131.207 -4.715 0.531 1.00 0.24 H new ATOM 0 HD23 LEU A 23 130.938 -6.273 -0.286 1.00 0.24 H new ATOM 354 N ALA A 24 126.961 -6.470 0.870 1.00 0.18 N ATOM 355 CA ALA A 24 125.692 -6.540 1.643 1.00 0.19 C ATOM 356 C ALA A 24 125.159 -5.128 1.903 1.00 0.20 C ATOM 357 O ALA A 24 125.881 -4.236 2.300 1.00 0.20 O ATOM 358 CB ALA A 24 125.951 -7.244 2.976 1.00 0.21 C ATOM 0 H ALA A 24 127.784 -6.825 1.357 1.00 0.18 H new ATOM 0 HA ALA A 24 124.952 -7.099 1.070 1.00 0.19 H new ATOM 0 HB1 ALA A 24 125.023 -7.297 3.546 1.00 0.21 H new ATOM 0 HB2 ALA A 24 126.321 -8.252 2.789 1.00 0.21 H new ATOM 0 HB3 ALA A 24 126.694 -6.685 3.544 1.00 0.21 H new ATOM 364 N GLY A 25 123.890 -4.932 1.672 1.00 0.20 N ATOM 365 CA GLY A 25 123.274 -3.585 1.888 1.00 0.21 C ATOM 366 C GLY A 25 123.204 -2.844 0.553 1.00 0.21 C ATOM 367 O GLY A 25 122.430 -1.924 0.383 1.00 0.22 O ATOM 0 H GLY A 25 123.246 -5.650 1.340 1.00 0.20 H new ATOM 0 HA2 GLY A 25 122.275 -3.692 2.311 1.00 0.21 H new ATOM 0 HA3 GLY A 25 123.864 -3.013 2.605 1.00 0.21 H new ATOM 371 N ILE A 26 123.998 -3.249 -0.406 1.00 0.20 N ATOM 372 CA ILE A 26 123.974 -2.585 -1.745 1.00 0.21 C ATOM 373 C ILE A 26 123.141 -3.452 -2.683 1.00 0.23 C ATOM 374 O ILE A 26 123.527 -4.555 -3.017 1.00 0.25 O ATOM 375 CB ILE A 26 125.403 -2.473 -2.290 1.00 0.22 C ATOM 376 CG1 ILE A 26 126.297 -1.748 -1.272 1.00 0.22 C ATOM 377 CG2 ILE A 26 125.396 -1.699 -3.611 1.00 0.25 C ATOM 378 CD1 ILE A 26 125.679 -0.399 -0.876 1.00 0.24 C ATOM 0 H ILE A 26 124.665 -4.015 -0.318 1.00 0.20 H new ATOM 0 HA ILE A 26 123.547 -1.585 -1.666 1.00 0.21 H new ATOM 0 HB ILE A 26 125.796 -3.475 -2.462 1.00 0.22 H new ATOM 0 HG12 ILE A 26 126.426 -2.369 -0.386 1.00 0.22 H new ATOM 0 HG13 ILE A 26 127.288 -1.590 -1.698 1.00 0.22 H new ATOM 0 HG21 ILE A 26 126.414 -1.623 -3.993 1.00 0.25 H new ATOM 0 HG22 ILE A 26 124.774 -2.223 -4.337 1.00 0.25 H new ATOM 0 HG23 ILE A 26 124.995 -0.699 -3.445 1.00 0.25 H new ATOM 0 HD11 ILE A 26 126.326 0.100 -0.155 1.00 0.24 H new ATOM 0 HD12 ILE A 26 125.573 0.227 -1.762 1.00 0.24 H new ATOM 0 HD13 ILE A 26 124.698 -0.565 -0.430 1.00 0.24 H new ATOM 390 N GLY A 27 122.005 -2.980 -3.122 1.00 0.24 N ATOM 391 CA GLY A 27 121.168 -3.802 -4.043 1.00 0.28 C ATOM 392 C GLY A 27 121.496 -3.446 -5.493 1.00 0.28 C ATOM 393 O GLY A 27 122.340 -2.617 -5.767 1.00 0.27 O ATOM 0 H GLY A 27 121.622 -2.065 -2.884 1.00 0.24 H new ATOM 0 HA2 GLY A 27 121.352 -4.862 -3.868 1.00 0.28 H new ATOM 0 HA3 GLY A 27 120.111 -3.625 -3.845 1.00 0.28 H new ATOM 397 N GLU A 28 120.843 -4.085 -6.420 1.00 0.30 N ATOM 398 CA GLU A 28 121.129 -3.801 -7.853 1.00 0.32 C ATOM 399 C GLU A 28 120.946 -2.308 -8.134 1.00 0.32 C ATOM 400 O GLU A 28 121.708 -1.711 -8.868 1.00 0.34 O ATOM 401 CB GLU A 28 120.172 -4.608 -8.733 1.00 0.36 C ATOM 402 CG GLU A 28 120.501 -6.098 -8.612 1.00 0.39 C ATOM 403 CD GLU A 28 121.852 -6.383 -9.272 1.00 1.28 C ATOM 404 OE1 GLU A 28 122.251 -5.605 -10.122 1.00 2.01 O ATOM 405 OE2 GLU A 28 122.466 -7.375 -8.914 1.00 1.65 O ATOM 0 H GLU A 28 120.126 -4.790 -6.249 1.00 0.30 H new ATOM 0 HA GLU A 28 122.158 -4.084 -8.077 1.00 0.32 H new ATOM 0 HB2 GLU A 28 119.141 -4.426 -8.429 1.00 0.36 H new ATOM 0 HB3 GLU A 28 120.259 -4.289 -9.772 1.00 0.36 H new ATOM 0 HG2 GLU A 28 120.529 -6.390 -7.562 1.00 0.39 H new ATOM 0 HG3 GLU A 28 119.721 -6.692 -9.087 1.00 0.39 H new ATOM 412 N VAL A 29 119.943 -1.696 -7.567 1.00 0.31 N ATOM 413 CA VAL A 29 119.726 -0.242 -7.821 1.00 0.33 C ATOM 414 C VAL A 29 120.876 0.561 -7.210 1.00 0.33 C ATOM 415 O VAL A 29 121.387 1.485 -7.812 1.00 0.35 O ATOM 416 CB VAL A 29 118.397 0.190 -7.191 1.00 0.34 C ATOM 417 CG1 VAL A 29 118.267 1.716 -7.242 1.00 0.38 C ATOM 418 CG2 VAL A 29 117.239 -0.447 -7.961 1.00 0.35 C ATOM 0 H VAL A 29 119.267 -2.136 -6.942 1.00 0.31 H new ATOM 0 HA VAL A 29 119.693 -0.058 -8.895 1.00 0.33 H new ATOM 0 HB VAL A 29 118.369 -0.136 -6.151 1.00 0.34 H new ATOM 0 HG11 VAL A 29 117.320 2.016 -6.793 1.00 0.38 H new ATOM 0 HG12 VAL A 29 119.090 2.170 -6.690 1.00 0.38 H new ATOM 0 HG13 VAL A 29 118.298 2.049 -8.279 1.00 0.38 H new ATOM 0 HG21 VAL A 29 116.293 -0.141 -7.514 1.00 0.35 H new ATOM 0 HG22 VAL A 29 117.271 -0.122 -9.001 1.00 0.35 H new ATOM 0 HG23 VAL A 29 117.326 -1.533 -7.917 1.00 0.35 H new ATOM 428 N LEU A 30 121.284 0.223 -6.019 1.00 0.32 N ATOM 429 CA LEU A 30 122.396 0.972 -5.371 1.00 0.32 C ATOM 430 C LEU A 30 123.699 0.710 -6.129 1.00 0.32 C ATOM 431 O LEU A 30 124.505 1.598 -6.326 1.00 0.33 O ATOM 432 CB LEU A 30 122.550 0.513 -3.916 1.00 0.32 C ATOM 433 CG LEU A 30 121.286 0.855 -3.109 1.00 0.35 C ATOM 434 CD1 LEU A 30 121.438 0.312 -1.684 1.00 0.36 C ATOM 435 CD2 LEU A 30 121.081 2.383 -3.060 1.00 0.40 C ATOM 0 H LEU A 30 120.895 -0.540 -5.466 1.00 0.32 H new ATOM 0 HA LEU A 30 122.171 2.038 -5.391 1.00 0.32 H new ATOM 0 HB2 LEU A 30 122.730 -0.562 -3.884 1.00 0.32 H new ATOM 0 HB3 LEU A 30 123.418 0.995 -3.466 1.00 0.32 H new ATOM 0 HG LEU A 30 120.420 0.400 -3.589 1.00 0.35 H new ATOM 0 HD11 LEU A 30 120.545 0.551 -1.106 1.00 0.36 H new ATOM 0 HD12 LEU A 30 121.569 -0.770 -1.719 1.00 0.36 H new ATOM 0 HD13 LEU A 30 122.308 0.768 -1.212 1.00 0.36 H new ATOM 0 HD21 LEU A 30 120.183 2.611 -2.486 1.00 0.40 H new ATOM 0 HD22 LEU A 30 121.944 2.851 -2.586 1.00 0.40 H new ATOM 0 HD23 LEU A 30 120.971 2.768 -4.074 1.00 0.40 H new ATOM 447 N GLY A 31 123.910 -0.505 -6.553 1.00 0.33 N ATOM 448 CA GLY A 31 125.160 -0.830 -7.297 1.00 0.34 C ATOM 449 C GLY A 31 125.250 0.015 -8.571 1.00 0.35 C ATOM 450 O GLY A 31 126.304 0.508 -8.923 1.00 0.35 O ATOM 0 H GLY A 31 123.271 -1.288 -6.417 1.00 0.33 H new ATOM 0 HA2 GLY A 31 126.028 -0.642 -6.665 1.00 0.34 H new ATOM 0 HA3 GLY A 31 125.175 -1.890 -7.552 1.00 0.34 H new ATOM 454 N LYS A 32 124.158 0.188 -9.271 1.00 0.35 N ATOM 455 CA LYS A 32 124.202 1.002 -10.520 1.00 0.37 C ATOM 456 C LYS A 32 124.555 2.453 -10.189 1.00 0.36 C ATOM 457 O LYS A 32 125.281 3.099 -10.916 1.00 0.38 O ATOM 458 CB LYS A 32 122.845 0.961 -11.226 1.00 0.39 C ATOM 459 CG LYS A 32 122.611 -0.439 -11.804 1.00 1.18 C ATOM 460 CD LYS A 32 121.330 -0.454 -12.652 1.00 1.37 C ATOM 461 CE LYS A 32 120.090 -0.492 -11.751 1.00 2.06 C ATOM 462 NZ LYS A 32 120.199 -1.625 -10.789 1.00 2.74 N ATOM 0 H LYS A 32 123.244 -0.197 -9.033 1.00 0.35 H new ATOM 0 HA LYS A 32 124.964 0.584 -11.178 1.00 0.37 H new ATOM 0 HB2 LYS A 32 122.050 1.214 -10.524 1.00 0.39 H new ATOM 0 HB3 LYS A 32 122.815 1.704 -12.023 1.00 0.39 H new ATOM 0 HG2 LYS A 32 123.464 -0.736 -12.415 1.00 1.18 H new ATOM 0 HG3 LYS A 32 122.530 -1.166 -10.996 1.00 1.18 H new ATOM 0 HD2 LYS A 32 121.298 0.431 -13.288 1.00 1.37 H new ATOM 0 HD3 LYS A 32 121.334 -1.321 -13.312 1.00 1.37 H new ATOM 0 HE2 LYS A 32 119.994 0.449 -11.209 1.00 2.06 H new ATOM 0 HE3 LYS A 32 119.192 -0.604 -12.358 1.00 2.06 H new ATOM 0 HZ1 LYS A 32 119.327 -1.688 -10.226 1.00 2.74 H new ATOM 0 HZ2 LYS A 32 120.338 -2.513 -11.313 1.00 2.74 H new ATOM 0 HZ3 LYS A 32 121.009 -1.466 -10.156 1.00 2.74 H new ATOM 476 N LYS A 33 124.045 2.982 -9.110 1.00 0.35 N ATOM 477 CA LYS A 33 124.359 4.398 -8.770 1.00 0.36 C ATOM 478 C LYS A 33 125.852 4.521 -8.459 1.00 0.34 C ATOM 479 O LYS A 33 126.536 5.376 -8.985 1.00 0.36 O ATOM 480 CB LYS A 33 123.551 4.812 -7.535 1.00 0.36 C ATOM 481 CG LYS A 33 122.045 4.745 -7.831 1.00 0.39 C ATOM 482 CD LYS A 33 121.608 5.949 -8.677 1.00 0.64 C ATOM 483 CE LYS A 33 120.080 6.013 -8.717 1.00 0.65 C ATOM 484 NZ LYS A 33 119.658 7.274 -9.392 1.00 1.54 N ATOM 0 H LYS A 33 123.430 2.500 -8.455 1.00 0.35 H new ATOM 0 HA LYS A 33 124.103 5.044 -9.610 1.00 0.36 H new ATOM 0 HB2 LYS A 33 123.793 4.157 -6.698 1.00 0.36 H new ATOM 0 HB3 LYS A 33 123.824 5.824 -7.237 1.00 0.36 H new ATOM 0 HG2 LYS A 33 121.813 3.820 -8.358 1.00 0.39 H new ATOM 0 HG3 LYS A 33 121.485 4.728 -6.896 1.00 0.39 H new ATOM 0 HD2 LYS A 33 122.011 6.870 -8.255 1.00 0.64 H new ATOM 0 HD3 LYS A 33 122.006 5.861 -9.688 1.00 0.64 H new ATOM 0 HE2 LYS A 33 119.682 5.150 -9.251 1.00 0.65 H new ATOM 0 HE3 LYS A 33 119.676 5.976 -7.705 1.00 0.65 H new ATOM 0 HZ1 LYS A 33 118.619 7.321 -9.421 1.00 1.54 H new ATOM 0 HZ2 LYS A 33 120.027 8.091 -8.864 1.00 1.54 H new ATOM 0 HZ3 LYS A 33 120.033 7.291 -10.362 1.00 1.54 H new ATOM 498 N LEU A 34 126.367 3.662 -7.629 1.00 0.32 N ATOM 499 CA LEU A 34 127.820 3.717 -7.309 1.00 0.31 C ATOM 500 C LEU A 34 128.614 3.502 -8.603 1.00 0.31 C ATOM 501 O LEU A 34 129.635 4.117 -8.836 1.00 0.33 O ATOM 502 CB LEU A 34 128.159 2.632 -6.283 1.00 0.29 C ATOM 503 CG LEU A 34 127.380 2.885 -4.983 1.00 0.30 C ATOM 504 CD1 LEU A 34 127.528 1.670 -4.064 1.00 0.30 C ATOM 505 CD2 LEU A 34 127.922 4.138 -4.267 1.00 0.34 C ATOM 0 H LEU A 34 125.846 2.923 -7.157 1.00 0.32 H new ATOM 0 HA LEU A 34 128.079 4.686 -6.883 1.00 0.31 H new ATOM 0 HB2 LEU A 34 127.909 1.649 -6.683 1.00 0.29 H new ATOM 0 HB3 LEU A 34 129.230 2.631 -6.082 1.00 0.29 H new ATOM 0 HG LEU A 34 126.329 3.045 -5.224 1.00 0.30 H new ATOM 0 HD11 LEU A 34 126.977 1.844 -3.140 1.00 0.30 H new ATOM 0 HD12 LEU A 34 127.130 0.786 -4.563 1.00 0.30 H new ATOM 0 HD13 LEU A 34 128.582 1.514 -3.834 1.00 0.30 H new ATOM 0 HD21 LEU A 34 127.360 4.304 -3.348 1.00 0.34 H new ATOM 0 HD22 LEU A 34 128.975 3.993 -4.027 1.00 0.34 H new ATOM 0 HD23 LEU A 34 127.815 5.005 -4.919 1.00 0.34 H new ATOM 517 N GLU A 35 128.138 2.624 -9.442 1.00 0.32 N ATOM 518 CA GLU A 35 128.858 2.360 -10.722 1.00 0.34 C ATOM 519 C GLU A 35 128.927 3.660 -11.525 1.00 0.37 C ATOM 520 O GLU A 35 129.937 3.981 -12.120 1.00 0.39 O ATOM 521 CB GLU A 35 128.101 1.293 -11.522 1.00 0.35 C ATOM 522 CG GLU A 35 128.830 1.010 -12.841 1.00 0.93 C ATOM 523 CD GLU A 35 128.068 -0.060 -13.621 1.00 1.02 C ATOM 524 OE1 GLU A 35 127.096 -0.573 -13.090 1.00 1.36 O ATOM 525 OE2 GLU A 35 128.466 -0.348 -14.738 1.00 1.67 O ATOM 0 H GLU A 35 127.287 2.080 -9.299 1.00 0.32 H new ATOM 0 HA GLU A 35 129.867 2.001 -10.517 1.00 0.34 H new ATOM 0 HB2 GLU A 35 128.022 0.377 -10.937 1.00 0.35 H new ATOM 0 HB3 GLU A 35 127.085 1.631 -11.724 1.00 0.35 H new ATOM 0 HG2 GLU A 35 128.904 1.923 -13.432 1.00 0.93 H new ATOM 0 HG3 GLU A 35 129.848 0.675 -12.642 1.00 0.93 H new ATOM 532 N GLU A 36 127.870 4.422 -11.524 1.00 0.39 N ATOM 533 CA GLU A 36 127.881 5.715 -12.261 1.00 0.43 C ATOM 534 C GLU A 36 128.849 6.663 -11.557 1.00 0.45 C ATOM 535 O GLU A 36 129.292 7.648 -12.111 1.00 0.49 O ATOM 536 CB GLU A 36 126.479 6.332 -12.272 1.00 0.45 C ATOM 537 CG GLU A 36 125.558 5.501 -13.169 1.00 1.12 C ATOM 538 CD GLU A 36 124.163 6.131 -13.189 1.00 1.39 C ATOM 539 OE1 GLU A 36 123.969 7.116 -12.495 1.00 2.00 O ATOM 540 OE2 GLU A 36 123.316 5.623 -13.905 1.00 1.86 O ATOM 0 H GLU A 36 126.997 4.204 -11.043 1.00 0.39 H new ATOM 0 HA GLU A 36 128.194 5.547 -13.291 1.00 0.43 H new ATOM 0 HB2 GLU A 36 126.079 6.369 -11.259 1.00 0.45 H new ATOM 0 HB3 GLU A 36 126.526 7.359 -12.634 1.00 0.45 H new ATOM 0 HG2 GLU A 36 125.962 5.454 -14.180 1.00 1.12 H new ATOM 0 HG3 GLU A 36 125.501 4.477 -12.801 1.00 1.12 H new ATOM 547 N ARG A 37 129.164 6.372 -10.324 1.00 0.42 N ATOM 548 CA ARG A 37 130.091 7.255 -9.556 1.00 0.45 C ATOM 549 C ARG A 37 131.539 6.777 -9.726 1.00 0.42 C ATOM 550 O ARG A 37 132.453 7.356 -9.172 1.00 0.43 O ATOM 551 CB ARG A 37 129.711 7.224 -8.068 1.00 0.45 C ATOM 552 CG ARG A 37 128.362 7.931 -7.840 1.00 0.53 C ATOM 553 CD ARG A 37 128.562 9.449 -7.725 1.00 0.86 C ATOM 554 NE ARG A 37 129.457 9.742 -6.571 1.00 1.42 N ATOM 555 CZ ARG A 37 130.022 10.913 -6.464 1.00 1.88 C ATOM 556 NH1 ARG A 37 129.795 11.833 -7.361 1.00 2.15 N ATOM 557 NH2 ARG A 37 130.813 11.163 -5.457 1.00 2.69 N ATOM 0 H ARG A 37 128.819 5.559 -9.813 1.00 0.42 H new ATOM 0 HA ARG A 37 130.008 8.274 -9.935 1.00 0.45 H new ATOM 0 HB2 ARG A 37 129.650 6.192 -7.724 1.00 0.45 H new ATOM 0 HB3 ARG A 37 130.488 7.711 -7.478 1.00 0.45 H new ATOM 0 HG2 ARG A 37 127.685 7.709 -8.665 1.00 0.53 H new ATOM 0 HG3 ARG A 37 127.894 7.550 -6.932 1.00 0.53 H new ATOM 0 HD2 ARG A 37 128.996 9.841 -8.645 1.00 0.86 H new ATOM 0 HD3 ARG A 37 127.601 9.945 -7.589 1.00 0.86 H new ATOM 0 HE ARG A 37 129.628 9.027 -5.864 1.00 1.42 H new ATOM 0 HH11 ARG A 37 129.175 11.637 -8.147 1.00 2.15 H new ATOM 0 HH12 ARG A 37 130.237 12.748 -7.276 1.00 2.15 H new ATOM 0 HH21 ARG A 37 130.989 10.444 -4.756 1.00 2.69 H new ATOM 0 HH22 ARG A 37 131.256 12.078 -5.371 1.00 2.69 H new ATOM 571 N GLY A 38 131.768 5.756 -10.523 1.00 0.40 N ATOM 572 CA GLY A 38 133.174 5.283 -10.763 1.00 0.39 C ATOM 573 C GLY A 38 133.512 4.028 -9.947 1.00 0.37 C ATOM 574 O GLY A 38 134.644 3.587 -9.947 1.00 0.48 O ATOM 0 H GLY A 38 131.045 5.231 -11.016 1.00 0.40 H new ATOM 0 HA2 GLY A 38 133.308 5.071 -11.824 1.00 0.39 H new ATOM 0 HA3 GLY A 38 133.872 6.080 -10.506 1.00 0.39 H new ATOM 578 N PHE A 39 132.562 3.432 -9.266 1.00 0.31 N ATOM 579 CA PHE A 39 132.862 2.192 -8.471 1.00 0.28 C ATOM 580 C PHE A 39 132.275 0.974 -9.191 1.00 0.28 C ATOM 581 O PHE A 39 131.231 0.469 -8.829 1.00 0.28 O ATOM 582 CB PHE A 39 132.216 2.309 -7.096 1.00 0.27 C ATOM 583 CG PHE A 39 132.749 3.530 -6.388 1.00 0.28 C ATOM 584 CD1 PHE A 39 132.287 4.798 -6.750 1.00 0.31 C ATOM 585 CD2 PHE A 39 133.703 3.396 -5.373 1.00 0.28 C ATOM 586 CE1 PHE A 39 132.778 5.935 -6.099 1.00 0.33 C ATOM 587 CE2 PHE A 39 134.194 4.532 -4.719 1.00 0.30 C ATOM 588 CZ PHE A 39 133.731 5.802 -5.083 1.00 0.32 C ATOM 0 H PHE A 39 131.593 3.748 -9.225 1.00 0.31 H new ATOM 0 HA PHE A 39 133.941 2.078 -8.368 1.00 0.28 H new ATOM 0 HB2 PHE A 39 131.133 2.379 -7.197 1.00 0.27 H new ATOM 0 HB3 PHE A 39 132.425 1.415 -6.508 1.00 0.27 H new ATOM 0 HD1 PHE A 39 131.550 4.901 -7.533 1.00 0.31 H new ATOM 0 HD2 PHE A 39 134.061 2.416 -5.094 1.00 0.28 H new ATOM 0 HE1 PHE A 39 132.422 6.915 -6.381 1.00 0.33 H new ATOM 0 HE2 PHE A 39 134.929 4.429 -3.935 1.00 0.30 H new ATOM 0 HZ PHE A 39 134.109 6.679 -4.580 1.00 0.32 H new ATOM 598 N ASP A 40 132.923 0.522 -10.227 1.00 0.30 N ATOM 599 CA ASP A 40 132.378 -0.638 -10.993 1.00 0.31 C ATOM 600 C ASP A 40 132.642 -1.957 -10.256 1.00 0.29 C ATOM 601 O ASP A 40 132.141 -2.993 -10.645 1.00 0.30 O ATOM 602 CB ASP A 40 133.046 -0.683 -12.368 1.00 0.35 C ATOM 603 CG ASP A 40 134.532 -1.006 -12.202 1.00 0.37 C ATOM 604 OD1 ASP A 40 135.032 -0.856 -11.099 1.00 0.37 O ATOM 605 OD2 ASP A 40 135.146 -1.398 -13.181 1.00 0.41 O ATOM 0 H ASP A 40 133.803 0.902 -10.577 1.00 0.30 H new ATOM 0 HA ASP A 40 131.300 -0.514 -11.098 1.00 0.31 H new ATOM 0 HB2 ASP A 40 132.567 -1.437 -12.993 1.00 0.35 H new ATOM 0 HB3 ASP A 40 132.925 0.275 -12.874 1.00 0.35 H new ATOM 610 N LYS A 41 133.415 -1.937 -9.196 1.00 0.28 N ATOM 611 CA LYS A 41 133.696 -3.203 -8.437 1.00 0.28 C ATOM 612 C LYS A 41 133.581 -2.931 -6.930 1.00 0.23 C ATOM 613 O LYS A 41 133.661 -1.805 -6.480 1.00 0.23 O ATOM 614 CB LYS A 41 135.105 -3.709 -8.771 1.00 0.34 C ATOM 615 CG LYS A 41 135.214 -4.074 -10.260 1.00 0.48 C ATOM 616 CD LYS A 41 134.445 -5.370 -10.561 1.00 0.74 C ATOM 617 CE LYS A 41 134.896 -5.929 -11.914 1.00 0.71 C ATOM 618 NZ LYS A 41 134.231 -7.241 -12.156 1.00 1.56 N ATOM 0 H LYS A 41 133.864 -1.101 -8.822 1.00 0.28 H new ATOM 0 HA LYS A 41 132.971 -3.965 -8.722 1.00 0.28 H new ATOM 0 HB2 LYS A 41 135.840 -2.942 -8.525 1.00 0.34 H new ATOM 0 HB3 LYS A 41 135.338 -4.581 -8.160 1.00 0.34 H new ATOM 0 HG2 LYS A 41 134.818 -3.261 -10.868 1.00 0.48 H new ATOM 0 HG3 LYS A 41 136.262 -4.196 -10.534 1.00 0.48 H new ATOM 0 HD2 LYS A 41 134.625 -6.103 -9.775 1.00 0.74 H new ATOM 0 HD3 LYS A 41 133.373 -5.174 -10.575 1.00 0.74 H new ATOM 0 HE2 LYS A 41 134.644 -5.229 -12.711 1.00 0.71 H new ATOM 0 HE3 LYS A 41 135.979 -6.050 -11.927 1.00 0.71 H new ATOM 0 HZ1 LYS A 41 134.735 -7.752 -12.908 1.00 1.56 H new ATOM 0 HZ2 LYS A 41 134.248 -7.805 -11.283 1.00 1.56 H new ATOM 0 HZ3 LYS A 41 133.245 -7.082 -12.446 1.00 1.56 H new ATOM 632 N ALA A 42 133.366 -3.962 -6.155 1.00 0.21 N ATOM 633 CA ALA A 42 133.208 -3.793 -4.674 1.00 0.20 C ATOM 634 C ALA A 42 134.501 -3.307 -4.005 1.00 0.18 C ATOM 635 O ALA A 42 134.465 -2.482 -3.113 1.00 0.18 O ATOM 636 CB ALA A 42 132.810 -5.136 -4.060 1.00 0.21 C ATOM 0 H ALA A 42 133.292 -4.924 -6.485 1.00 0.21 H new ATOM 0 HA ALA A 42 132.439 -3.039 -4.506 1.00 0.20 H new ATOM 0 HB1 ALA A 42 132.693 -5.023 -2.982 1.00 0.21 H new ATOM 0 HB2 ALA A 42 131.868 -5.470 -4.494 1.00 0.21 H new ATOM 0 HB3 ALA A 42 133.586 -5.874 -4.265 1.00 0.21 H new ATOM 642 N TYR A 43 135.633 -3.831 -4.379 1.00 0.19 N ATOM 643 CA TYR A 43 136.899 -3.416 -3.703 1.00 0.18 C ATOM 644 C TYR A 43 137.111 -1.899 -3.834 1.00 0.17 C ATOM 645 O TYR A 43 137.871 -1.310 -3.093 1.00 0.17 O ATOM 646 CB TYR A 43 138.092 -4.192 -4.281 1.00 0.20 C ATOM 647 CG TYR A 43 138.541 -3.603 -5.594 1.00 0.21 C ATOM 648 CD1 TYR A 43 137.965 -4.028 -6.796 1.00 0.24 C ATOM 649 CD2 TYR A 43 139.551 -2.639 -5.602 1.00 0.21 C ATOM 650 CE1 TYR A 43 138.401 -3.481 -8.010 1.00 0.28 C ATOM 651 CE2 TYR A 43 139.989 -2.095 -6.807 1.00 0.25 C ATOM 652 CZ TYR A 43 139.414 -2.513 -8.016 1.00 0.28 C ATOM 653 OH TYR A 43 139.845 -1.974 -9.211 1.00 0.32 O ATOM 0 H TYR A 43 135.740 -4.525 -5.119 1.00 0.19 H new ATOM 0 HA TYR A 43 136.821 -3.653 -2.642 1.00 0.18 H new ATOM 0 HB2 TYR A 43 138.918 -4.176 -3.571 1.00 0.20 H new ATOM 0 HB3 TYR A 43 137.815 -5.237 -4.424 1.00 0.20 H new ATOM 0 HD1 TYR A 43 137.186 -4.776 -6.788 1.00 0.24 H new ATOM 0 HD2 TYR A 43 139.994 -2.314 -4.672 1.00 0.21 H new ATOM 0 HE1 TYR A 43 137.957 -3.805 -8.940 1.00 0.28 H new ATOM 0 HE2 TYR A 43 140.772 -1.351 -6.810 1.00 0.25 H new ATOM 0 HH TYR A 43 139.106 -1.972 -9.854 1.00 0.32 H new ATOM 663 N VAL A 44 136.434 -1.258 -4.749 1.00 0.18 N ATOM 664 CA VAL A 44 136.593 0.223 -4.887 1.00 0.18 C ATOM 665 C VAL A 44 135.737 0.897 -3.811 1.00 0.17 C ATOM 666 O VAL A 44 136.044 1.961 -3.308 1.00 0.18 O ATOM 667 CB VAL A 44 136.140 0.669 -6.282 1.00 0.20 C ATOM 668 CG1 VAL A 44 136.609 2.101 -6.547 1.00 0.22 C ATOM 669 CG2 VAL A 44 136.750 -0.258 -7.333 1.00 0.24 C ATOM 0 H VAL A 44 135.782 -1.690 -5.404 1.00 0.18 H new ATOM 0 HA VAL A 44 137.638 0.505 -4.762 1.00 0.18 H new ATOM 0 HB VAL A 44 135.052 0.627 -6.335 1.00 0.20 H new ATOM 0 HG11 VAL A 44 136.284 2.412 -7.540 1.00 0.22 H new ATOM 0 HG12 VAL A 44 136.181 2.768 -5.799 1.00 0.22 H new ATOM 0 HG13 VAL A 44 137.697 2.144 -6.491 1.00 0.22 H new ATOM 0 HG21 VAL A 44 136.429 0.057 -8.326 1.00 0.24 H new ATOM 0 HG22 VAL A 44 137.837 -0.212 -7.271 1.00 0.24 H new ATOM 0 HG23 VAL A 44 136.419 -1.281 -7.152 1.00 0.24 H new ATOM 679 N VAL A 45 134.663 0.243 -3.453 1.00 0.17 N ATOM 680 CA VAL A 45 133.755 0.780 -2.401 1.00 0.17 C ATOM 681 C VAL A 45 134.422 0.558 -1.043 1.00 0.16 C ATOM 682 O VAL A 45 134.392 1.410 -0.178 1.00 0.16 O ATOM 683 CB VAL A 45 132.408 0.052 -2.454 1.00 0.18 C ATOM 684 CG1 VAL A 45 131.575 0.403 -1.216 1.00 0.22 C ATOM 685 CG2 VAL A 45 131.648 0.479 -3.713 1.00 0.20 C ATOM 0 H VAL A 45 134.375 -0.651 -3.851 1.00 0.17 H new ATOM 0 HA VAL A 45 133.575 1.843 -2.561 1.00 0.17 H new ATOM 0 HB VAL A 45 132.584 -1.024 -2.476 1.00 0.18 H new ATOM 0 HG11 VAL A 45 130.619 -0.118 -1.261 1.00 0.22 H new ATOM 0 HG12 VAL A 45 132.112 0.099 -0.318 1.00 0.22 H new ATOM 0 HG13 VAL A 45 131.401 1.479 -1.188 1.00 0.22 H new ATOM 0 HG21 VAL A 45 130.689 -0.038 -3.752 1.00 0.20 H new ATOM 0 HG22 VAL A 45 131.479 1.556 -3.688 1.00 0.20 H new ATOM 0 HG23 VAL A 45 132.234 0.224 -4.596 1.00 0.20 H new ATOM 695 N LEU A 46 135.060 -0.565 -0.866 1.00 0.17 N ATOM 696 CA LEU A 46 135.766 -0.817 0.418 1.00 0.18 C ATOM 697 C LEU A 46 136.814 0.280 0.580 1.00 0.17 C ATOM 698 O LEU A 46 137.030 0.805 1.655 1.00 0.18 O ATOM 699 CB LEU A 46 136.450 -2.192 0.374 1.00 0.22 C ATOM 700 CG LEU A 46 137.224 -2.455 1.682 1.00 0.25 C ATOM 701 CD1 LEU A 46 136.252 -2.560 2.866 1.00 0.40 C ATOM 702 CD2 LEU A 46 138.038 -3.756 1.560 1.00 0.35 C ATOM 0 H LEU A 46 135.122 -1.316 -1.553 1.00 0.17 H new ATOM 0 HA LEU A 46 135.067 -0.810 1.254 1.00 0.18 H new ATOM 0 HB2 LEU A 46 135.703 -2.971 0.224 1.00 0.22 H new ATOM 0 HB3 LEU A 46 137.133 -2.238 -0.474 1.00 0.22 H new ATOM 0 HG LEU A 46 137.904 -1.621 1.857 1.00 0.25 H new ATOM 0 HD11 LEU A 46 136.813 -2.746 3.782 1.00 0.40 H new ATOM 0 HD12 LEU A 46 135.696 -1.628 2.964 1.00 0.40 H new ATOM 0 HD13 LEU A 46 135.556 -3.381 2.694 1.00 0.40 H new ATOM 0 HD21 LEU A 46 138.581 -3.934 2.488 1.00 0.35 H new ATOM 0 HD22 LEU A 46 137.364 -4.591 1.369 1.00 0.35 H new ATOM 0 HD23 LEU A 46 138.746 -3.666 0.736 1.00 0.35 H new ATOM 714 N GLY A 47 137.463 0.630 -0.495 1.00 0.17 N ATOM 715 CA GLY A 47 138.498 1.694 -0.436 1.00 0.18 C ATOM 716 C GLY A 47 137.893 2.948 0.196 1.00 0.18 C ATOM 717 O GLY A 47 138.495 3.580 1.039 1.00 0.18 O ATOM 0 H GLY A 47 137.318 0.220 -1.418 1.00 0.17 H new ATOM 0 HA2 GLY A 47 139.353 1.354 0.148 1.00 0.18 H new ATOM 0 HA3 GLY A 47 138.865 1.918 -1.438 1.00 0.18 H new ATOM 721 N GLN A 48 136.698 3.308 -0.193 1.00 0.17 N ATOM 722 CA GLN A 48 136.056 4.515 0.401 1.00 0.18 C ATOM 723 C GLN A 48 135.923 4.305 1.911 1.00 0.17 C ATOM 724 O GLN A 48 136.220 5.178 2.698 1.00 0.18 O ATOM 725 CB GLN A 48 134.666 4.701 -0.218 1.00 0.19 C ATOM 726 CG GLN A 48 134.010 5.974 0.327 1.00 0.22 C ATOM 727 CD GLN A 48 134.794 7.198 -0.148 1.00 0.28 C ATOM 728 OE1 GLN A 48 134.824 7.495 -1.325 1.00 0.98 O ATOM 729 NE2 GLN A 48 135.435 7.925 0.726 1.00 1.09 N ATOM 0 H GLN A 48 136.141 2.819 -0.894 1.00 0.17 H new ATOM 0 HA GLN A 48 136.660 5.401 0.203 1.00 0.18 H new ATOM 0 HB2 GLN A 48 134.748 4.762 -1.303 1.00 0.19 H new ATOM 0 HB3 GLN A 48 134.041 3.836 0.007 1.00 0.19 H new ATOM 0 HG2 GLN A 48 132.976 6.037 -0.013 1.00 0.22 H new ATOM 0 HG3 GLN A 48 133.986 5.945 1.416 1.00 0.22 H new ATOM 0 HE21 GLN A 48 135.409 7.675 1.715 1.00 1.09 H new ATOM 0 HE22 GLN A 48 135.962 8.743 0.421 1.00 1.09 H new ATOM 738 N PHE A 49 135.489 3.146 2.317 1.00 0.17 N ATOM 739 CA PHE A 49 135.347 2.865 3.774 1.00 0.17 C ATOM 740 C PHE A 49 136.711 3.010 4.446 1.00 0.18 C ATOM 741 O PHE A 49 136.834 3.552 5.525 1.00 0.19 O ATOM 742 CB PHE A 49 134.820 1.437 3.944 1.00 0.17 C ATOM 743 CG PHE A 49 134.745 1.080 5.409 1.00 0.19 C ATOM 744 CD1 PHE A 49 133.716 1.598 6.203 1.00 0.23 C ATOM 745 CD2 PHE A 49 135.699 0.222 5.969 1.00 0.28 C ATOM 746 CE1 PHE A 49 133.644 1.259 7.559 1.00 0.26 C ATOM 747 CE2 PHE A 49 135.626 -0.116 7.325 1.00 0.31 C ATOM 748 CZ PHE A 49 134.599 0.402 8.120 1.00 0.26 C ATOM 0 H PHE A 49 135.225 2.377 1.701 1.00 0.17 H new ATOM 0 HA PHE A 49 134.651 3.566 4.235 1.00 0.17 H new ATOM 0 HB2 PHE A 49 133.833 1.349 3.490 1.00 0.17 H new ATOM 0 HB3 PHE A 49 135.473 0.736 3.424 1.00 0.17 H new ATOM 0 HD1 PHE A 49 132.979 2.258 5.770 1.00 0.23 H new ATOM 0 HD2 PHE A 49 136.491 -0.179 5.354 1.00 0.28 H new ATOM 0 HE1 PHE A 49 132.851 1.659 8.174 1.00 0.26 H new ATOM 0 HE2 PHE A 49 136.363 -0.777 7.757 1.00 0.31 H new ATOM 0 HZ PHE A 49 134.542 0.141 9.167 1.00 0.26 H new ATOM 758 N LEU A 50 137.728 2.532 3.809 1.00 0.19 N ATOM 759 CA LEU A 50 139.089 2.639 4.399 1.00 0.21 C ATOM 760 C LEU A 50 139.535 4.112 4.371 1.00 0.21 C ATOM 761 O LEU A 50 140.153 4.598 5.297 1.00 0.23 O ATOM 762 CB LEU A 50 140.043 1.752 3.597 1.00 0.23 C ATOM 763 CG LEU A 50 139.585 0.285 3.716 1.00 0.23 C ATOM 764 CD1 LEU A 50 140.308 -0.568 2.672 1.00 0.28 C ATOM 765 CD2 LEU A 50 139.887 -0.264 5.125 1.00 0.28 C ATOM 0 H LEU A 50 137.682 2.069 2.901 1.00 0.19 H new ATOM 0 HA LEU A 50 139.091 2.302 5.436 1.00 0.21 H new ATOM 0 HB2 LEU A 50 140.053 2.059 2.551 1.00 0.23 H new ATOM 0 HB3 LEU A 50 141.061 1.860 3.971 1.00 0.23 H new ATOM 0 HG LEU A 50 138.509 0.243 3.544 1.00 0.23 H new ATOM 0 HD11 LEU A 50 139.982 -1.604 2.759 1.00 0.28 H new ATOM 0 HD12 LEU A 50 140.075 -0.197 1.674 1.00 0.28 H new ATOM 0 HD13 LEU A 50 141.384 -0.511 2.838 1.00 0.28 H new ATOM 0 HD21 LEU A 50 139.557 -1.301 5.190 1.00 0.28 H new ATOM 0 HD22 LEU A 50 140.959 -0.212 5.314 1.00 0.28 H new ATOM 0 HD23 LEU A 50 139.359 0.332 5.869 1.00 0.28 H new ATOM 777 N VAL A 51 139.242 4.817 3.311 1.00 0.21 N ATOM 778 CA VAL A 51 139.664 6.252 3.212 1.00 0.23 C ATOM 779 C VAL A 51 138.920 7.109 4.252 1.00 0.23 C ATOM 780 O VAL A 51 139.350 8.193 4.592 1.00 0.24 O ATOM 781 CB VAL A 51 139.366 6.778 1.797 1.00 0.25 C ATOM 782 CG1 VAL A 51 139.475 8.309 1.765 1.00 0.28 C ATOM 783 CG2 VAL A 51 140.377 6.185 0.810 1.00 0.27 C ATOM 0 H VAL A 51 138.727 4.463 2.505 1.00 0.21 H new ATOM 0 HA VAL A 51 140.734 6.318 3.411 1.00 0.23 H new ATOM 0 HB VAL A 51 138.354 6.484 1.518 1.00 0.25 H new ATOM 0 HG11 VAL A 51 139.262 8.668 0.758 1.00 0.28 H new ATOM 0 HG12 VAL A 51 138.757 8.740 2.463 1.00 0.28 H new ATOM 0 HG13 VAL A 51 140.483 8.608 2.051 1.00 0.28 H new ATOM 0 HG21 VAL A 51 140.167 6.557 -0.193 1.00 0.27 H new ATOM 0 HG22 VAL A 51 141.385 6.478 1.102 1.00 0.27 H new ATOM 0 HG23 VAL A 51 140.298 5.098 0.818 1.00 0.27 H new ATOM 793 N LEU A 52 137.809 6.637 4.753 1.00 0.22 N ATOM 794 CA LEU A 52 137.044 7.442 5.764 1.00 0.23 C ATOM 795 C LEU A 52 137.476 7.045 7.176 1.00 0.23 C ATOM 796 O LEU A 52 136.792 7.325 8.141 1.00 0.24 O ATOM 797 CB LEU A 52 135.537 7.219 5.592 1.00 0.24 C ATOM 798 CG LEU A 52 135.066 7.785 4.240 1.00 0.25 C ATOM 799 CD1 LEU A 52 133.568 7.508 4.079 1.00 0.31 C ATOM 800 CD2 LEU A 52 135.318 9.307 4.169 1.00 0.27 C ATOM 0 H LEU A 52 137.396 5.736 4.511 1.00 0.22 H new ATOM 0 HA LEU A 52 137.259 8.499 5.609 1.00 0.23 H new ATOM 0 HB2 LEU A 52 135.311 6.154 5.647 1.00 0.24 H new ATOM 0 HB3 LEU A 52 134.995 7.702 6.405 1.00 0.24 H new ATOM 0 HG LEU A 52 135.627 7.303 3.439 1.00 0.25 H new ATOM 0 HD11 LEU A 52 133.225 7.906 3.124 1.00 0.31 H new ATOM 0 HD12 LEU A 52 133.392 6.433 4.109 1.00 0.31 H new ATOM 0 HD13 LEU A 52 133.020 7.988 4.890 1.00 0.31 H new ATOM 0 HD21 LEU A 52 134.978 9.688 3.206 1.00 0.27 H new ATOM 0 HD22 LEU A 52 134.770 9.804 4.969 1.00 0.27 H new ATOM 0 HD23 LEU A 52 136.384 9.505 4.282 1.00 0.27 H new ATOM 812 N LYS A 53 138.607 6.413 7.317 1.00 0.22 N ATOM 813 CA LYS A 53 139.080 6.025 8.672 1.00 0.23 C ATOM 814 C LYS A 53 137.982 5.259 9.413 1.00 0.24 C ATOM 815 O LYS A 53 137.866 5.342 10.619 1.00 0.30 O ATOM 816 CB LYS A 53 139.457 7.283 9.455 1.00 0.29 C ATOM 817 CG LYS A 53 140.576 8.016 8.707 1.00 0.38 C ATOM 818 CD LYS A 53 141.198 9.092 9.601 1.00 0.49 C ATOM 819 CE LYS A 53 140.212 10.240 9.815 1.00 0.90 C ATOM 820 NZ LYS A 53 139.671 10.698 8.503 1.00 1.70 N ATOM 0 H LYS A 53 139.225 6.148 6.550 1.00 0.22 H new ATOM 0 HA LYS A 53 139.953 5.380 8.578 1.00 0.23 H new ATOM 0 HB2 LYS A 53 138.589 7.933 9.565 1.00 0.29 H new ATOM 0 HB3 LYS A 53 139.786 7.017 10.460 1.00 0.29 H new ATOM 0 HG2 LYS A 53 141.341 7.305 8.396 1.00 0.38 H new ATOM 0 HG3 LYS A 53 140.178 8.472 7.801 1.00 0.38 H new ATOM 0 HD2 LYS A 53 141.477 8.659 10.562 1.00 0.49 H new ATOM 0 HD3 LYS A 53 142.113 9.470 9.144 1.00 0.49 H new ATOM 0 HE2 LYS A 53 139.396 9.914 10.460 1.00 0.90 H new ATOM 0 HE3 LYS A 53 140.709 11.067 10.322 1.00 0.90 H new ATOM 0 HZ1 LYS A 53 139.316 11.671 8.595 1.00 1.70 H new ATOM 0 HZ2 LYS A 53 140.425 10.670 7.788 1.00 1.70 H new ATOM 0 HZ3 LYS A 53 138.894 10.072 8.210 1.00 1.70 H new ATOM 834 N LYS A 54 137.177 4.512 8.694 1.00 0.22 N ATOM 835 CA LYS A 54 136.077 3.717 9.325 1.00 0.25 C ATOM 836 C LYS A 54 135.113 4.651 10.056 1.00 0.27 C ATOM 837 O LYS A 54 134.357 4.223 10.905 1.00 0.33 O ATOM 838 CB LYS A 54 136.664 2.709 10.325 1.00 0.35 C ATOM 839 CG LYS A 54 137.717 1.837 9.628 1.00 0.67 C ATOM 840 CD LYS A 54 138.575 1.109 10.672 1.00 0.83 C ATOM 841 CE LYS A 54 137.753 0.008 11.344 1.00 1.41 C ATOM 842 NZ LYS A 54 138.645 -0.815 12.210 1.00 2.24 N ATOM 0 H LYS A 54 137.238 4.419 7.680 1.00 0.22 H new ATOM 0 HA LYS A 54 135.540 3.180 8.543 1.00 0.25 H new ATOM 0 HB2 LYS A 54 137.115 3.237 11.165 1.00 0.35 H new ATOM 0 HB3 LYS A 54 135.870 2.082 10.731 1.00 0.35 H new ATOM 0 HG2 LYS A 54 137.227 1.111 8.979 1.00 0.67 H new ATOM 0 HG3 LYS A 54 138.351 2.456 8.993 1.00 0.67 H new ATOM 0 HD2 LYS A 54 139.456 0.678 10.196 1.00 0.83 H new ATOM 0 HD3 LYS A 54 138.932 1.817 11.420 1.00 0.83 H new ATOM 0 HE2 LYS A 54 136.953 0.448 11.940 1.00 1.41 H new ATOM 0 HE3 LYS A 54 137.279 -0.620 10.589 1.00 1.41 H new ATOM 0 HZ1 LYS A 54 138.089 -1.565 12.668 1.00 2.24 H new ATOM 0 HZ2 LYS A 54 139.393 -1.245 11.629 1.00 2.24 H new ATOM 0 HZ3 LYS A 54 139.077 -0.210 12.938 1.00 2.24 H new ATOM 856 N ASP A 55 135.105 5.913 9.731 1.00 0.29 N ATOM 857 CA ASP A 55 134.152 6.830 10.419 1.00 0.39 C ATOM 858 C ASP A 55 132.732 6.448 9.984 1.00 0.37 C ATOM 859 O ASP A 55 132.360 6.592 8.837 1.00 0.37 O ATOM 860 CB ASP A 55 134.466 8.271 10.018 1.00 0.46 C ATOM 861 CG ASP A 55 135.715 8.748 10.762 1.00 1.18 C ATOM 862 OD1 ASP A 55 135.852 8.407 11.926 1.00 1.80 O ATOM 863 OD2 ASP A 55 136.511 9.446 10.157 1.00 1.55 O ATOM 0 H ASP A 55 135.707 6.345 9.030 1.00 0.29 H new ATOM 0 HA ASP A 55 134.239 6.745 11.502 1.00 0.39 H new ATOM 0 HB2 ASP A 55 134.625 8.334 8.941 1.00 0.46 H new ATOM 0 HB3 ASP A 55 133.621 8.918 10.253 1.00 0.46 H new ATOM 868 N GLU A 56 131.951 5.924 10.892 1.00 0.38 N ATOM 869 CA GLU A 56 130.564 5.477 10.556 1.00 0.37 C ATOM 870 C GLU A 56 129.661 6.638 10.110 1.00 0.38 C ATOM 871 O GLU A 56 128.883 6.497 9.190 1.00 0.37 O ATOM 872 CB GLU A 56 129.959 4.806 11.793 1.00 0.39 C ATOM 873 CG GLU A 56 128.551 4.289 11.481 1.00 0.41 C ATOM 874 CD GLU A 56 127.994 3.568 12.709 1.00 0.62 C ATOM 875 OE1 GLU A 56 128.733 3.415 13.667 1.00 0.87 O ATOM 876 OE2 GLU A 56 126.839 3.178 12.671 1.00 0.85 O ATOM 0 H GLU A 56 132.218 5.784 11.866 1.00 0.38 H new ATOM 0 HA GLU A 56 130.626 4.782 9.719 1.00 0.37 H new ATOM 0 HB2 GLU A 56 130.594 3.981 12.115 1.00 0.39 H new ATOM 0 HB3 GLU A 56 129.918 5.517 12.618 1.00 0.39 H new ATOM 0 HG2 GLU A 56 127.899 5.118 11.205 1.00 0.41 H new ATOM 0 HG3 GLU A 56 128.581 3.610 10.629 1.00 0.41 H new ATOM 883 N ASP A 57 129.736 7.773 10.746 1.00 0.40 N ATOM 884 CA ASP A 57 128.851 8.907 10.336 1.00 0.41 C ATOM 885 C ASP A 57 129.285 9.429 8.971 1.00 0.40 C ATOM 886 O ASP A 57 128.469 9.744 8.128 1.00 0.40 O ATOM 887 CB ASP A 57 128.939 10.034 11.368 1.00 0.45 C ATOM 888 CG ASP A 57 128.263 9.595 12.668 1.00 0.47 C ATOM 889 OD1 ASP A 57 127.467 8.672 12.616 1.00 0.64 O ATOM 890 OD2 ASP A 57 128.554 10.188 13.692 1.00 0.73 O ATOM 0 H ASP A 57 130.365 7.967 11.525 1.00 0.40 H new ATOM 0 HA ASP A 57 127.822 8.554 10.278 1.00 0.41 H new ATOM 0 HB2 ASP A 57 129.982 10.287 11.557 1.00 0.45 H new ATOM 0 HB3 ASP A 57 128.458 10.933 10.982 1.00 0.45 H new ATOM 895 N LEU A 58 130.553 9.510 8.740 1.00 0.40 N ATOM 896 CA LEU A 58 131.013 9.999 7.416 1.00 0.40 C ATOM 897 C LEU A 58 130.688 8.941 6.360 1.00 0.37 C ATOM 898 O LEU A 58 130.259 9.254 5.268 1.00 0.38 O ATOM 899 CB LEU A 58 132.521 10.264 7.438 1.00 0.40 C ATOM 900 CG LEU A 58 132.856 11.336 8.488 1.00 0.47 C ATOM 901 CD1 LEU A 58 134.376 11.543 8.537 1.00 0.45 C ATOM 902 CD2 LEU A 58 132.167 12.665 8.126 1.00 0.55 C ATOM 0 H LEU A 58 131.290 9.263 9.400 1.00 0.40 H new ATOM 0 HA LEU A 58 130.504 10.933 7.178 1.00 0.40 H new ATOM 0 HB2 LEU A 58 133.056 9.342 7.665 1.00 0.40 H new ATOM 0 HB3 LEU A 58 132.854 10.592 6.453 1.00 0.40 H new ATOM 0 HG LEU A 58 132.498 11.005 9.463 1.00 0.47 H new ATOM 0 HD11 LEU A 58 134.616 12.303 9.281 1.00 0.45 H new ATOM 0 HD12 LEU A 58 134.862 10.605 8.806 1.00 0.45 H new ATOM 0 HD13 LEU A 58 134.731 11.868 7.559 1.00 0.45 H new ATOM 0 HD21 LEU A 58 132.411 13.417 8.876 1.00 0.55 H new ATOM 0 HD22 LEU A 58 132.515 13.001 7.149 1.00 0.55 H new ATOM 0 HD23 LEU A 58 131.087 12.519 8.096 1.00 0.55 H new ATOM 914 N PHE A 59 130.869 7.687 6.683 1.00 0.36 N ATOM 915 CA PHE A 59 130.543 6.617 5.698 1.00 0.35 C ATOM 916 C PHE A 59 129.042 6.622 5.396 1.00 0.35 C ATOM 917 O PHE A 59 128.630 6.605 4.253 1.00 0.35 O ATOM 918 CB PHE A 59 130.946 5.252 6.259 1.00 0.34 C ATOM 919 CG PHE A 59 130.555 4.173 5.276 1.00 0.33 C ATOM 920 CD1 PHE A 59 131.453 3.777 4.279 1.00 0.35 C ATOM 921 CD2 PHE A 59 129.296 3.565 5.365 1.00 0.36 C ATOM 922 CE1 PHE A 59 131.094 2.773 3.370 1.00 0.36 C ATOM 923 CE2 PHE A 59 128.937 2.563 4.456 1.00 0.38 C ATOM 924 CZ PHE A 59 129.836 2.168 3.458 1.00 0.36 C ATOM 0 H PHE A 59 131.226 7.360 7.581 1.00 0.36 H new ATOM 0 HA PHE A 59 131.095 6.807 4.778 1.00 0.35 H new ATOM 0 HB2 PHE A 59 132.020 5.223 6.440 1.00 0.34 H new ATOM 0 HB3 PHE A 59 130.457 5.081 7.218 1.00 0.34 H new ATOM 0 HD1 PHE A 59 132.424 4.246 4.210 1.00 0.35 H new ATOM 0 HD2 PHE A 59 128.602 3.869 6.135 1.00 0.36 H new ATOM 0 HE1 PHE A 59 131.788 2.466 2.602 1.00 0.36 H new ATOM 0 HE2 PHE A 59 127.966 2.094 4.524 1.00 0.38 H new ATOM 0 HZ PHE A 59 129.558 1.396 2.756 1.00 0.36 H new ATOM 934 N ARG A 60 128.217 6.623 6.415 1.00 0.37 N ATOM 935 CA ARG A 60 126.746 6.600 6.176 1.00 0.38 C ATOM 936 C ARG A 60 126.313 7.840 5.394 1.00 0.39 C ATOM 937 O ARG A 60 125.548 7.749 4.455 1.00 0.39 O ATOM 938 CB ARG A 60 125.993 6.548 7.511 1.00 0.42 C ATOM 939 CG ARG A 60 126.196 5.176 8.164 1.00 0.43 C ATOM 940 CD ARG A 60 125.347 5.078 9.434 1.00 0.50 C ATOM 941 NE ARG A 60 125.748 6.145 10.392 1.00 1.31 N ATOM 942 CZ ARG A 60 124.968 6.443 11.395 1.00 1.55 C ATOM 943 NH1 ARG A 60 123.852 5.788 11.570 1.00 1.16 N ATOM 944 NH2 ARG A 60 125.304 7.393 12.225 1.00 2.64 N ATOM 0 H ARG A 60 128.499 6.639 7.395 1.00 0.37 H new ATOM 0 HA ARG A 60 126.507 5.710 5.593 1.00 0.38 H new ATOM 0 HB2 ARG A 60 126.354 7.334 8.174 1.00 0.42 H new ATOM 0 HB3 ARG A 60 124.931 6.731 7.348 1.00 0.42 H new ATOM 0 HG2 ARG A 60 125.917 4.386 7.467 1.00 0.43 H new ATOM 0 HG3 ARG A 60 127.249 5.030 8.407 1.00 0.43 H new ATOM 0 HD2 ARG A 60 124.291 5.178 9.185 1.00 0.50 H new ATOM 0 HD3 ARG A 60 125.475 4.098 9.893 1.00 0.50 H new ATOM 0 HE ARG A 60 126.630 6.642 10.265 1.00 1.31 H new ATOM 0 HH11 ARG A 60 123.590 5.044 10.923 1.00 1.16 H new ATOM 0 HH12 ARG A 60 123.242 6.020 12.354 1.00 1.16 H new ATOM 0 HH21 ARG A 60 126.177 7.903 12.090 1.00 2.64 H new ATOM 0 HH22 ARG A 60 124.694 7.625 13.009 1.00 2.64 H new ATOM 958 N GLU A 61 126.791 9.001 5.758 1.00 0.41 N ATOM 959 CA GLU A 61 126.395 10.226 5.013 1.00 0.44 C ATOM 960 C GLU A 61 126.926 10.128 3.585 1.00 0.42 C ATOM 961 O GLU A 61 126.275 10.530 2.641 1.00 0.42 O ATOM 962 CB GLU A 61 126.992 11.459 5.694 1.00 0.48 C ATOM 963 CG GLU A 61 126.291 11.692 7.033 1.00 1.29 C ATOM 964 CD GLU A 61 126.887 12.924 7.714 1.00 1.76 C ATOM 965 OE1 GLU A 61 127.854 13.456 7.193 1.00 2.37 O ATOM 966 OE2 GLU A 61 126.364 13.318 8.744 1.00 2.32 O ATOM 0 H GLU A 61 127.435 9.151 6.535 1.00 0.41 H new ATOM 0 HA GLU A 61 125.309 10.314 5.001 1.00 0.44 H new ATOM 0 HB2 GLU A 61 128.061 11.319 5.851 1.00 0.48 H new ATOM 0 HB3 GLU A 61 126.876 12.333 5.054 1.00 0.48 H new ATOM 0 HG2 GLU A 61 125.222 11.832 6.876 1.00 1.29 H new ATOM 0 HG3 GLU A 61 126.407 10.818 7.673 1.00 1.29 H new ATOM 973 N TRP A 62 128.099 9.595 3.418 1.00 0.40 N ATOM 974 CA TRP A 62 128.667 9.471 2.049 1.00 0.38 C ATOM 975 C TRP A 62 127.818 8.532 1.186 1.00 0.36 C ATOM 976 O TRP A 62 127.489 8.844 0.061 1.00 0.36 O ATOM 977 CB TRP A 62 130.101 8.923 2.132 1.00 0.38 C ATOM 978 CG TRP A 62 130.572 8.555 0.757 1.00 0.36 C ATOM 979 CD1 TRP A 62 131.120 9.405 -0.141 1.00 0.38 C ATOM 980 CD2 TRP A 62 130.512 7.253 0.108 1.00 0.34 C ATOM 981 NE1 TRP A 62 131.407 8.702 -1.301 1.00 0.37 N ATOM 982 CE2 TRP A 62 131.050 7.371 -1.195 1.00 0.35 C ATOM 983 CE3 TRP A 62 130.049 5.990 0.524 1.00 0.32 C ATOM 984 CZ2 TRP A 62 131.123 6.272 -2.057 1.00 0.34 C ATOM 985 CZ3 TRP A 62 130.123 4.887 -0.339 1.00 0.31 C ATOM 986 CH2 TRP A 62 130.659 5.027 -1.626 1.00 0.32 C ATOM 0 H TRP A 62 128.691 9.239 4.169 1.00 0.40 H new ATOM 0 HA TRP A 62 128.671 10.460 1.590 1.00 0.38 H new ATOM 0 HB2 TRP A 62 130.764 9.671 2.568 1.00 0.38 H new ATOM 0 HB3 TRP A 62 130.132 8.051 2.785 1.00 0.38 H new ATOM 0 HD1 TRP A 62 131.304 10.457 0.019 1.00 0.38 H new ATOM 0 HE1 TRP A 62 131.830 9.117 -2.131 1.00 0.37 H new ATOM 0 HE3 TRP A 62 129.634 5.870 1.514 1.00 0.32 H new ATOM 0 HZ2 TRP A 62 131.535 6.385 -3.049 1.00 0.34 H new ATOM 0 HZ3 TRP A 62 129.764 3.923 -0.009 1.00 0.31 H new ATOM 0 HH2 TRP A 62 130.713 4.173 -2.284 1.00 0.32 H new ATOM 997 N LEU A 63 127.475 7.382 1.689 1.00 0.34 N ATOM 998 CA LEU A 63 126.670 6.436 0.867 1.00 0.32 C ATOM 999 C LEU A 63 125.256 6.989 0.673 1.00 0.33 C ATOM 1000 O LEU A 63 124.731 7.000 -0.422 1.00 0.32 O ATOM 1001 CB LEU A 63 126.618 5.072 1.569 1.00 0.31 C ATOM 1002 CG LEU A 63 125.793 4.071 0.745 1.00 0.31 C ATOM 1003 CD1 LEU A 63 126.429 3.864 -0.641 1.00 0.30 C ATOM 1004 CD2 LEU A 63 125.747 2.732 1.491 1.00 0.32 C ATOM 0 H LEU A 63 127.714 7.056 2.626 1.00 0.34 H new ATOM 0 HA LEU A 63 127.133 6.316 -0.112 1.00 0.32 H new ATOM 0 HB2 LEU A 63 127.629 4.690 1.709 1.00 0.31 H new ATOM 0 HB3 LEU A 63 126.180 5.184 2.561 1.00 0.31 H new ATOM 0 HG LEU A 63 124.784 4.462 0.611 1.00 0.31 H new ATOM 0 HD11 LEU A 63 125.833 3.152 -1.212 1.00 0.30 H new ATOM 0 HD12 LEU A 63 126.464 4.816 -1.171 1.00 0.30 H new ATOM 0 HD13 LEU A 63 127.441 3.477 -0.523 1.00 0.30 H new ATOM 0 HD21 LEU A 63 125.164 2.014 0.914 1.00 0.32 H new ATOM 0 HD22 LEU A 63 126.761 2.354 1.622 1.00 0.32 H new ATOM 0 HD23 LEU A 63 125.284 2.875 2.467 1.00 0.32 H new ATOM 1016 N LYS A 64 124.633 7.449 1.723 1.00 0.35 N ATOM 1017 CA LYS A 64 123.254 8.004 1.591 1.00 0.37 C ATOM 1018 C LYS A 64 123.272 9.212 0.656 1.00 0.39 C ATOM 1019 O LYS A 64 122.454 9.338 -0.234 1.00 0.39 O ATOM 1020 CB LYS A 64 122.733 8.427 2.970 1.00 0.41 C ATOM 1021 CG LYS A 64 121.317 8.997 2.833 1.00 0.43 C ATOM 1022 CD LYS A 64 120.726 9.240 4.224 1.00 0.68 C ATOM 1023 CE LYS A 64 119.394 9.985 4.097 1.00 1.25 C ATOM 1024 NZ LYS A 64 118.758 10.106 5.442 1.00 2.11 N ATOM 0 H LYS A 64 125.018 7.465 2.667 1.00 0.35 H new ATOM 0 HA LYS A 64 122.597 7.239 1.177 1.00 0.37 H new ATOM 0 HB2 LYS A 64 122.728 7.572 3.646 1.00 0.41 H new ATOM 0 HB3 LYS A 64 123.396 9.174 3.407 1.00 0.41 H new ATOM 0 HG2 LYS A 64 121.342 9.930 2.269 1.00 0.43 H new ATOM 0 HG3 LYS A 64 120.687 8.304 2.275 1.00 0.43 H new ATOM 0 HD2 LYS A 64 120.575 8.290 4.736 1.00 0.68 H new ATOM 0 HD3 LYS A 64 121.422 9.821 4.829 1.00 0.68 H new ATOM 0 HE2 LYS A 64 119.558 10.975 3.671 1.00 1.25 H new ATOM 0 HE3 LYS A 64 118.731 9.451 3.416 1.00 1.25 H new ATOM 0 HZ1 LYS A 64 117.854 10.612 5.354 1.00 2.11 H new ATOM 0 HZ2 LYS A 64 118.587 9.157 5.832 1.00 2.11 H new ATOM 0 HZ3 LYS A 64 119.389 10.633 6.078 1.00 2.11 H new ATOM 1038 N ASP A 65 124.202 10.101 0.859 1.00 0.41 N ATOM 1039 CA ASP A 65 124.289 11.313 -0.002 1.00 0.45 C ATOM 1040 C ASP A 65 124.747 10.920 -1.407 1.00 0.43 C ATOM 1041 O ASP A 65 124.455 11.592 -2.376 1.00 0.46 O ATOM 1042 CB ASP A 65 125.298 12.291 0.602 1.00 0.49 C ATOM 1043 CG ASP A 65 124.825 12.715 1.995 1.00 1.17 C ATOM 1044 OD1 ASP A 65 123.636 12.933 2.153 1.00 1.90 O ATOM 1045 OD2 ASP A 65 125.661 12.813 2.878 1.00 1.42 O ATOM 0 H ASP A 65 124.911 10.040 1.590 1.00 0.41 H new ATOM 0 HA ASP A 65 123.307 11.783 -0.061 1.00 0.45 H new ATOM 0 HB2 ASP A 65 126.280 11.823 0.666 1.00 0.49 H new ATOM 0 HB3 ASP A 65 125.403 13.165 -0.040 1.00 0.49 H new ATOM 1050 N THR A 66 125.499 9.857 -1.521 1.00 0.40 N ATOM 1051 CA THR A 66 126.018 9.445 -2.856 1.00 0.39 C ATOM 1052 C THR A 66 124.963 8.681 -3.664 1.00 0.39 C ATOM 1053 O THR A 66 124.979 8.739 -4.878 1.00 0.41 O ATOM 1054 CB THR A 66 127.258 8.564 -2.667 1.00 0.38 C ATOM 1055 OG1 THR A 66 128.297 9.338 -2.082 1.00 0.37 O ATOM 1056 CG2 THR A 66 127.730 8.031 -4.021 1.00 0.39 C ATOM 0 H THR A 66 125.776 9.256 -0.745 1.00 0.40 H new ATOM 0 HA THR A 66 126.275 10.346 -3.412 1.00 0.39 H new ATOM 0 HB THR A 66 127.007 7.725 -2.018 1.00 0.38 H new ATOM 0 HG1 THR A 66 128.038 9.600 -1.174 1.00 0.37 H new ATOM 0 HG21 THR A 66 128.611 7.406 -3.879 1.00 0.39 H new ATOM 0 HG22 THR A 66 126.935 7.440 -4.476 1.00 0.39 H new ATOM 0 HG23 THR A 66 127.980 8.867 -4.674 1.00 0.39 H new ATOM 1064 N CYS A 67 124.071 7.934 -3.044 1.00 0.37 N ATOM 1065 CA CYS A 67 123.067 7.151 -3.846 1.00 0.38 C ATOM 1066 C CYS A 67 121.648 7.312 -3.298 1.00 0.37 C ATOM 1067 O CYS A 67 120.680 7.116 -4.006 1.00 0.40 O ATOM 1068 CB CYS A 67 123.445 5.671 -3.796 1.00 0.37 C ATOM 1069 SG CYS A 67 123.428 5.102 -2.078 1.00 0.36 S ATOM 0 H CYS A 67 123.995 7.833 -2.032 1.00 0.37 H new ATOM 0 HA CYS A 67 123.082 7.530 -4.868 1.00 0.38 H new ATOM 0 HB2 CYS A 67 122.744 5.085 -4.391 1.00 0.37 H new ATOM 0 HB3 CYS A 67 124.434 5.522 -4.230 1.00 0.37 H new ATOM 0 HG CYS A 67 124.284 5.792 -1.384 1.00 0.36 H new ATOM 1075 N GLY A 68 121.511 7.654 -2.043 1.00 0.36 N ATOM 1076 CA GLY A 68 120.147 7.813 -1.443 1.00 0.36 C ATOM 1077 C GLY A 68 119.817 6.572 -0.608 1.00 0.34 C ATOM 1078 O GLY A 68 118.687 6.361 -0.217 1.00 0.34 O ATOM 0 H GLY A 68 122.286 7.831 -1.404 1.00 0.36 H new ATOM 0 HA2 GLY A 68 120.113 8.706 -0.819 1.00 0.36 H new ATOM 0 HA3 GLY A 68 119.404 7.945 -2.229 1.00 0.36 H new ATOM 1082 N ALA A 69 120.793 5.748 -0.329 1.00 0.33 N ATOM 1083 CA ALA A 69 120.524 4.524 0.483 1.00 0.32 C ATOM 1084 C ALA A 69 119.793 4.918 1.768 1.00 0.31 C ATOM 1085 O ALA A 69 119.892 6.038 2.228 1.00 0.32 O ATOM 1086 CB ALA A 69 121.847 3.842 0.835 1.00 0.32 C ATOM 0 H ALA A 69 121.761 5.869 -0.627 1.00 0.33 H new ATOM 0 HA ALA A 69 119.905 3.835 -0.091 1.00 0.32 H new ATOM 0 HB1 ALA A 69 121.649 2.949 1.428 1.00 0.32 H new ATOM 0 HB2 ALA A 69 122.367 3.562 -0.081 1.00 0.32 H new ATOM 0 HB3 ALA A 69 122.469 4.529 1.410 1.00 0.32 H new ATOM 1092 N ASN A 70 119.045 4.013 2.343 1.00 0.30 N ATOM 1093 CA ASN A 70 118.291 4.343 3.589 1.00 0.30 C ATOM 1094 C ASN A 70 119.154 4.061 4.819 1.00 0.30 C ATOM 1095 O ASN A 70 120.229 3.503 4.727 1.00 0.29 O ATOM 1096 CB ASN A 70 117.031 3.479 3.662 1.00 0.30 C ATOM 1097 CG ASN A 70 116.146 3.968 4.809 1.00 1.06 C ATOM 1098 OD1 ASN A 70 115.820 5.136 4.886 1.00 1.90 O ATOM 1099 ND2 ASN A 70 115.740 3.116 5.713 1.00 1.77 N ATOM 0 H ASN A 70 118.923 3.059 2.003 1.00 0.30 H new ATOM 0 HA ASN A 70 118.024 5.400 3.570 1.00 0.30 H new ATOM 0 HB2 ASN A 70 116.486 3.531 2.720 1.00 0.30 H new ATOM 0 HB3 ASN A 70 117.301 2.434 3.816 1.00 0.30 H new ATOM 0 HD21 ASN A 70 115.150 3.432 6.483 1.00 1.77 H new ATOM 0 HD22 ASN A 70 116.013 2.135 5.649 1.00 1.77 H new ATOM 1106 N ALA A 71 118.684 4.456 5.968 1.00 0.32 N ATOM 1107 CA ALA A 71 119.458 4.232 7.220 1.00 0.34 C ATOM 1108 C ALA A 71 119.639 2.733 7.474 1.00 0.32 C ATOM 1109 O ALA A 71 120.640 2.310 8.015 1.00 0.32 O ATOM 1110 CB ALA A 71 118.708 4.855 8.397 1.00 0.39 C ATOM 0 H ALA A 71 117.789 4.929 6.095 1.00 0.32 H new ATOM 0 HA ALA A 71 120.439 4.695 7.115 1.00 0.34 H new ATOM 0 HB1 ALA A 71 119.272 4.692 9.315 1.00 0.39 H new ATOM 0 HB2 ALA A 71 118.590 5.925 8.228 1.00 0.39 H new ATOM 0 HB3 ALA A 71 117.725 4.392 8.488 1.00 0.39 H new ATOM 1116 N LYS A 72 118.681 1.922 7.108 1.00 0.30 N ATOM 1117 CA LYS A 72 118.829 0.459 7.363 1.00 0.29 C ATOM 1118 C LYS A 72 119.855 -0.142 6.399 1.00 0.27 C ATOM 1119 O LYS A 72 120.654 -0.985 6.766 1.00 0.27 O ATOM 1120 CB LYS A 72 117.481 -0.242 7.172 1.00 0.29 C ATOM 1121 CG LYS A 72 116.503 0.208 8.263 1.00 1.18 C ATOM 1122 CD LYS A 72 115.158 -0.497 8.064 1.00 1.29 C ATOM 1123 CE LYS A 72 114.162 -0.033 9.133 1.00 2.11 C ATOM 1124 NZ LYS A 72 114.442 -0.730 10.421 1.00 2.58 N ATOM 0 H LYS A 72 117.814 2.204 6.650 1.00 0.30 H new ATOM 0 HA LYS A 72 119.171 0.315 8.388 1.00 0.29 H new ATOM 0 HB2 LYS A 72 117.075 -0.008 6.188 1.00 0.29 H new ATOM 0 HB3 LYS A 72 117.614 -1.323 7.213 1.00 0.29 H new ATOM 0 HG2 LYS A 72 116.907 -0.027 9.248 1.00 1.18 H new ATOM 0 HG3 LYS A 72 116.369 1.289 8.223 1.00 1.18 H new ATOM 0 HD2 LYS A 72 114.767 -0.278 7.071 1.00 1.29 H new ATOM 0 HD3 LYS A 72 115.291 -1.577 8.123 1.00 1.29 H new ATOM 0 HE2 LYS A 72 114.237 1.046 9.269 1.00 2.11 H new ATOM 0 HE3 LYS A 72 113.143 -0.243 8.809 1.00 2.11 H new ATOM 0 HZ1 LYS A 72 113.753 -0.425 11.138 1.00 2.58 H new ATOM 0 HZ2 LYS A 72 114.366 -1.758 10.283 1.00 2.58 H new ATOM 0 HZ3 LYS A 72 115.403 -0.494 10.742 1.00 2.58 H new ATOM 1138 N GLN A 73 119.830 0.271 5.160 1.00 0.26 N ATOM 1139 CA GLN A 73 120.781 -0.288 4.159 1.00 0.25 C ATOM 1140 C GLN A 73 122.206 0.149 4.482 1.00 0.25 C ATOM 1141 O GLN A 73 123.151 -0.583 4.265 1.00 0.25 O ATOM 1142 CB GLN A 73 120.406 0.205 2.759 1.00 0.26 C ATOM 1143 CG GLN A 73 119.085 -0.433 2.315 1.00 0.29 C ATOM 1144 CD GLN A 73 119.275 -1.939 2.121 1.00 1.24 C ATOM 1145 OE1 GLN A 73 118.505 -2.730 2.627 1.00 2.12 O ATOM 1146 NE2 GLN A 73 120.282 -2.372 1.414 1.00 1.88 N ATOM 0 H GLN A 73 119.188 0.976 4.798 1.00 0.26 H new ATOM 0 HA GLN A 73 120.725 -1.376 4.193 1.00 0.25 H new ATOM 0 HB2 GLN A 73 120.313 1.291 2.760 1.00 0.26 H new ATOM 0 HB3 GLN A 73 121.197 -0.046 2.052 1.00 0.26 H new ATOM 0 HG2 GLN A 73 118.312 -0.248 3.061 1.00 0.29 H new ATOM 0 HG3 GLN A 73 118.745 0.023 1.385 1.00 0.29 H new ATOM 0 HE21 GLN A 73 120.929 -1.708 0.989 1.00 1.88 H new ATOM 0 HE22 GLN A 73 120.422 -3.374 1.287 1.00 1.88 H new ATOM 1155 N SER A 74 122.372 1.340 4.982 1.00 0.26 N ATOM 1156 CA SER A 74 123.740 1.823 5.299 1.00 0.27 C ATOM 1157 C SER A 74 124.318 1.031 6.477 1.00 0.26 C ATOM 1158 O SER A 74 125.492 0.717 6.503 1.00 0.26 O ATOM 1159 CB SER A 74 123.681 3.312 5.641 1.00 0.30 C ATOM 1160 OG SER A 74 124.959 3.890 5.415 1.00 1.36 O ATOM 0 H SER A 74 121.620 1.998 5.184 1.00 0.26 H new ATOM 0 HA SER A 74 124.387 1.677 4.434 1.00 0.27 H new ATOM 0 HB2 SER A 74 122.929 3.809 5.028 1.00 0.30 H new ATOM 0 HB3 SER A 74 123.385 3.448 6.681 1.00 0.30 H new ATOM 0 HG SER A 74 124.917 4.482 4.635 1.00 1.36 H new ATOM 1166 N ARG A 75 123.512 0.703 7.457 1.00 0.27 N ATOM 1167 CA ARG A 75 124.043 -0.068 8.618 1.00 0.28 C ATOM 1168 C ARG A 75 124.601 -1.400 8.133 1.00 0.26 C ATOM 1169 O ARG A 75 125.577 -1.893 8.660 1.00 0.27 O ATOM 1170 CB ARG A 75 122.942 -0.316 9.652 1.00 0.30 C ATOM 1171 CG ARG A 75 122.590 0.997 10.352 1.00 0.33 C ATOM 1172 CD ARG A 75 121.490 0.748 11.387 1.00 0.61 C ATOM 1173 NE ARG A 75 121.193 2.018 12.107 1.00 1.34 N ATOM 1174 CZ ARG A 75 120.108 2.128 12.822 1.00 1.81 C ATOM 1175 NH1 ARG A 75 119.265 1.134 12.892 1.00 1.88 N ATOM 1176 NH2 ARG A 75 119.864 3.235 13.469 1.00 2.80 N ATOM 0 H ARG A 75 122.520 0.934 7.502 1.00 0.27 H new ATOM 0 HA ARG A 75 124.836 0.513 9.089 1.00 0.28 H new ATOM 0 HB2 ARG A 75 122.058 -0.728 9.165 1.00 0.30 H new ATOM 0 HB3 ARG A 75 123.275 -1.052 10.384 1.00 0.30 H new ATOM 0 HG2 ARG A 75 123.474 1.410 10.838 1.00 0.33 H new ATOM 0 HG3 ARG A 75 122.255 1.733 9.620 1.00 0.33 H new ATOM 0 HD2 ARG A 75 120.591 0.376 10.896 1.00 0.61 H new ATOM 0 HD3 ARG A 75 121.807 -0.018 12.094 1.00 0.61 H new ATOM 0 HE ARG A 75 121.840 2.804 12.041 1.00 1.34 H new ATOM 0 HH11 ARG A 75 119.454 0.268 12.387 1.00 1.88 H new ATOM 0 HH12 ARG A 75 118.417 1.223 13.452 1.00 1.88 H new ATOM 0 HH21 ARG A 75 120.522 4.013 13.415 1.00 2.80 H new ATOM 0 HH22 ARG A 75 119.016 3.322 14.029 1.00 2.80 H new ATOM 1190 N ASP A 76 123.991 -2.011 7.154 1.00 0.25 N ATOM 1191 CA ASP A 76 124.487 -3.326 6.673 1.00 0.24 C ATOM 1192 C ASP A 76 125.834 -3.173 5.967 1.00 0.23 C ATOM 1193 O ASP A 76 126.717 -3.989 6.129 1.00 0.23 O ATOM 1194 CB ASP A 76 123.466 -3.914 5.696 1.00 0.24 C ATOM 1195 CG ASP A 76 122.208 -4.329 6.462 1.00 0.25 C ATOM 1196 OD1 ASP A 76 122.347 -4.785 7.585 1.00 0.40 O ATOM 1197 OD2 ASP A 76 121.129 -4.177 5.915 1.00 0.39 O ATOM 0 H ASP A 76 123.169 -1.653 6.667 1.00 0.25 H new ATOM 0 HA ASP A 76 124.619 -3.988 7.529 1.00 0.24 H new ATOM 0 HB2 ASP A 76 123.213 -3.179 4.931 1.00 0.24 H new ATOM 0 HB3 ASP A 76 123.893 -4.775 5.182 1.00 0.24 H new ATOM 1202 N CYS A 77 126.016 -2.140 5.189 1.00 0.22 N ATOM 1203 CA CYS A 77 127.322 -1.966 4.495 1.00 0.22 C ATOM 1204 C CYS A 77 128.412 -1.608 5.509 1.00 0.22 C ATOM 1205 O CYS A 77 129.527 -2.077 5.416 1.00 0.21 O ATOM 1206 CB CYS A 77 127.197 -0.848 3.464 1.00 0.23 C ATOM 1207 SG CYS A 77 126.144 -1.408 2.104 1.00 0.24 S ATOM 0 H CYS A 77 125.322 -1.415 5.006 1.00 0.22 H new ATOM 0 HA CYS A 77 127.593 -2.898 3.999 1.00 0.22 H new ATOM 0 HB2 CYS A 77 126.772 0.043 3.926 1.00 0.23 H new ATOM 0 HB3 CYS A 77 128.182 -0.573 3.087 1.00 0.23 H new ATOM 0 HG CYS A 77 126.274 -2.693 1.955 1.00 0.24 H new ATOM 1213 N PHE A 78 128.117 -0.774 6.470 1.00 0.23 N ATOM 1214 CA PHE A 78 129.169 -0.399 7.455 1.00 0.25 C ATOM 1215 C PHE A 78 129.665 -1.653 8.173 1.00 0.24 C ATOM 1216 O PHE A 78 130.831 -1.992 8.119 1.00 0.23 O ATOM 1217 CB PHE A 78 128.585 0.589 8.468 1.00 0.29 C ATOM 1218 CG PHE A 78 129.611 0.909 9.530 1.00 0.32 C ATOM 1219 CD1 PHE A 78 130.536 1.939 9.324 1.00 0.36 C ATOM 1220 CD2 PHE A 78 129.628 0.184 10.727 1.00 0.38 C ATOM 1221 CE1 PHE A 78 131.480 2.242 10.314 1.00 0.41 C ATOM 1222 CE2 PHE A 78 130.571 0.487 11.717 1.00 0.43 C ATOM 1223 CZ PHE A 78 131.497 1.516 11.510 1.00 0.43 C ATOM 0 H PHE A 78 127.205 -0.341 6.614 1.00 0.23 H new ATOM 0 HA PHE A 78 130.007 0.070 6.939 1.00 0.25 H new ATOM 0 HB2 PHE A 78 128.278 1.503 7.961 1.00 0.29 H new ATOM 0 HB3 PHE A 78 127.693 0.165 8.929 1.00 0.29 H new ATOM 0 HD1 PHE A 78 130.522 2.500 8.402 1.00 0.36 H new ATOM 0 HD2 PHE A 78 128.913 -0.610 10.887 1.00 0.38 H new ATOM 0 HE1 PHE A 78 132.195 3.036 10.154 1.00 0.41 H new ATOM 0 HE2 PHE A 78 130.584 -0.073 12.640 1.00 0.43 H new ATOM 0 HZ PHE A 78 132.224 1.750 12.273 1.00 0.43 H new ATOM 1233 N GLY A 79 128.789 -2.342 8.848 1.00 0.25 N ATOM 1234 CA GLY A 79 129.203 -3.574 9.575 1.00 0.26 C ATOM 1235 C GLY A 79 129.720 -4.626 8.589 1.00 0.24 C ATOM 1236 O GLY A 79 130.619 -5.380 8.890 1.00 0.24 O ATOM 0 H GLY A 79 127.800 -2.104 8.928 1.00 0.25 H new ATOM 0 HA2 GLY A 79 129.980 -3.332 10.300 1.00 0.26 H new ATOM 0 HA3 GLY A 79 128.358 -3.975 10.135 1.00 0.26 H new ATOM 1240 N CYS A 80 129.173 -4.680 7.410 1.00 0.22 N ATOM 1241 CA CYS A 80 129.663 -5.687 6.427 1.00 0.22 C ATOM 1242 C CYS A 80 131.059 -5.289 5.947 1.00 0.22 C ATOM 1243 O CYS A 80 131.965 -6.099 5.917 1.00 0.23 O ATOM 1244 CB CYS A 80 128.711 -5.759 5.232 1.00 0.22 C ATOM 1245 SG CYS A 80 129.316 -6.995 4.054 1.00 0.25 S ATOM 0 H CYS A 80 128.416 -4.079 7.085 1.00 0.22 H new ATOM 0 HA CYS A 80 129.705 -6.665 6.906 1.00 0.22 H new ATOM 0 HB2 CYS A 80 127.708 -6.021 5.568 1.00 0.22 H new ATOM 0 HB3 CYS A 80 128.641 -4.784 4.749 1.00 0.22 H new ATOM 0 HG CYS A 80 129.149 -6.557 2.841 1.00 0.25 H new ATOM 1251 N LEU A 81 131.254 -4.047 5.599 1.00 0.21 N ATOM 1252 CA LEU A 81 132.613 -3.627 5.161 1.00 0.21 C ATOM 1253 C LEU A 81 133.538 -3.604 6.385 1.00 0.22 C ATOM 1254 O LEU A 81 134.686 -4.000 6.315 1.00 0.22 O ATOM 1255 CB LEU A 81 132.540 -2.226 4.539 1.00 0.22 C ATOM 1256 CG LEU A 81 131.598 -2.236 3.322 1.00 0.24 C ATOM 1257 CD1 LEU A 81 131.172 -0.803 2.991 1.00 0.30 C ATOM 1258 CD2 LEU A 81 132.310 -2.830 2.099 1.00 0.28 C ATOM 0 H LEU A 81 130.543 -3.316 5.599 1.00 0.21 H new ATOM 0 HA LEU A 81 133.000 -4.325 4.419 1.00 0.21 H new ATOM 0 HB2 LEU A 81 132.183 -1.509 5.279 1.00 0.22 H new ATOM 0 HB3 LEU A 81 133.536 -1.902 4.235 1.00 0.22 H new ATOM 0 HG LEU A 81 130.726 -2.843 3.565 1.00 0.24 H new ATOM 0 HD11 LEU A 81 130.505 -0.812 2.129 1.00 0.30 H new ATOM 0 HD12 LEU A 81 130.653 -0.371 3.847 1.00 0.30 H new ATOM 0 HD13 LEU A 81 132.054 -0.205 2.761 1.00 0.30 H new ATOM 0 HD21 LEU A 81 131.630 -2.830 1.247 1.00 0.28 H new ATOM 0 HD22 LEU A 81 133.189 -2.230 1.862 1.00 0.28 H new ATOM 0 HD23 LEU A 81 132.617 -3.853 2.318 1.00 0.28 H new ATOM 1270 N ARG A 82 133.048 -3.139 7.506 1.00 0.22 N ATOM 1271 CA ARG A 82 133.902 -3.086 8.730 1.00 0.24 C ATOM 1272 C ARG A 82 134.288 -4.499 9.169 1.00 0.25 C ATOM 1273 O ARG A 82 135.403 -4.743 9.587 1.00 0.26 O ATOM 1274 CB ARG A 82 133.153 -2.387 9.868 1.00 0.28 C ATOM 1275 CG ARG A 82 134.087 -2.246 11.074 1.00 0.33 C ATOM 1276 CD ARG A 82 133.372 -1.503 12.203 1.00 0.84 C ATOM 1277 NE ARG A 82 134.289 -1.390 13.372 1.00 1.41 N ATOM 1278 CZ ARG A 82 134.011 -0.568 14.346 1.00 1.95 C ATOM 1279 NH1 ARG A 82 132.937 0.172 14.290 1.00 2.25 N ATOM 1280 NH2 ARG A 82 134.809 -0.483 15.375 1.00 2.73 N ATOM 0 H ARG A 82 132.095 -2.795 7.626 1.00 0.22 H new ATOM 0 HA ARG A 82 134.806 -2.524 8.495 1.00 0.24 H new ATOM 0 HB2 ARG A 82 132.808 -1.405 9.543 1.00 0.28 H new ATOM 0 HB3 ARG A 82 132.268 -2.961 10.143 1.00 0.28 H new ATOM 0 HG2 ARG A 82 134.402 -3.231 11.418 1.00 0.33 H new ATOM 0 HG3 ARG A 82 134.989 -1.706 10.785 1.00 0.33 H new ATOM 0 HD2 ARG A 82 133.068 -0.512 11.867 1.00 0.84 H new ATOM 0 HD3 ARG A 82 132.464 -2.035 12.487 1.00 0.84 H new ATOM 0 HE ARG A 82 135.136 -1.957 13.411 1.00 1.41 H new ATOM 0 HH11 ARG A 82 132.315 0.108 13.484 1.00 2.25 H new ATOM 0 HH12 ARG A 82 132.720 0.815 15.052 1.00 2.25 H new ATOM 0 HH21 ARG A 82 135.650 -1.059 15.417 1.00 2.73 H new ATOM 0 HH22 ARG A 82 134.592 0.160 16.137 1.00 2.73 H new ATOM 1294 N GLU A 83 133.380 -5.431 9.092 1.00 0.25 N ATOM 1295 CA GLU A 83 133.706 -6.819 9.520 1.00 0.28 C ATOM 1296 C GLU A 83 134.685 -7.458 8.535 1.00 0.27 C ATOM 1297 O GLU A 83 135.589 -8.166 8.936 1.00 0.29 O ATOM 1298 CB GLU A 83 132.423 -7.654 9.614 1.00 0.30 C ATOM 1299 CG GLU A 83 131.653 -7.265 10.884 1.00 0.33 C ATOM 1300 CD GLU A 83 130.350 -8.062 10.960 1.00 1.19 C ATOM 1301 OE1 GLU A 83 130.194 -8.977 10.170 1.00 1.91 O ATOM 1302 OE2 GLU A 83 129.532 -7.743 11.806 1.00 1.56 O ATOM 0 H GLU A 83 132.428 -5.292 8.752 1.00 0.25 H new ATOM 0 HA GLU A 83 134.175 -6.785 10.503 1.00 0.28 H new ATOM 0 HB2 GLU A 83 131.802 -7.487 8.734 1.00 0.30 H new ATOM 0 HB3 GLU A 83 132.668 -8.716 9.635 1.00 0.30 H new ATOM 0 HG2 GLU A 83 132.263 -7.462 11.766 1.00 0.33 H new ATOM 0 HG3 GLU A 83 131.437 -6.197 10.878 1.00 0.33 H new ATOM 1309 N TRP A 84 134.555 -7.206 7.259 1.00 0.25 N ATOM 1310 CA TRP A 84 135.524 -7.793 6.295 1.00 0.25 C ATOM 1311 C TRP A 84 136.921 -7.286 6.667 1.00 0.27 C ATOM 1312 O TRP A 84 137.885 -8.022 6.672 1.00 0.28 O ATOM 1313 CB TRP A 84 135.172 -7.353 4.872 1.00 0.25 C ATOM 1314 CG TRP A 84 136.114 -7.989 3.898 1.00 0.27 C ATOM 1315 CD1 TRP A 84 135.891 -9.160 3.259 1.00 0.30 C ATOM 1316 CD2 TRP A 84 137.420 -7.520 3.445 1.00 0.30 C ATOM 1317 NE1 TRP A 84 136.970 -9.439 2.440 1.00 0.33 N ATOM 1318 CE2 TRP A 84 137.939 -8.459 2.520 1.00 0.32 C ATOM 1319 CE3 TRP A 84 138.195 -6.384 3.743 1.00 0.31 C ATOM 1320 CZ2 TRP A 84 139.183 -8.277 1.912 1.00 0.36 C ATOM 1321 CZ3 TRP A 84 139.448 -6.199 3.133 1.00 0.35 C ATOM 1322 CH2 TRP A 84 139.939 -7.144 2.220 1.00 0.37 C ATOM 0 H TRP A 84 133.825 -6.624 6.848 1.00 0.25 H new ATOM 0 HA TRP A 84 135.491 -8.882 6.337 1.00 0.25 H new ATOM 0 HB2 TRP A 84 134.146 -7.636 4.637 1.00 0.25 H new ATOM 0 HB3 TRP A 84 135.230 -6.267 4.792 1.00 0.25 H new ATOM 0 HD1 TRP A 84 135.012 -9.778 3.370 1.00 0.30 H new ATOM 0 HE1 TRP A 84 137.041 -10.267 1.849 1.00 0.33 H new ATOM 0 HE3 TRP A 84 137.825 -5.650 4.444 1.00 0.31 H new ATOM 0 HZ2 TRP A 84 139.557 -9.007 1.209 1.00 0.36 H new ATOM 0 HZ3 TRP A 84 140.036 -5.324 3.369 1.00 0.35 H new ATOM 0 HH2 TRP A 84 140.902 -6.995 1.755 1.00 0.37 H new ATOM 1333 N CYS A 85 137.029 -6.022 6.980 1.00 0.27 N ATOM 1334 CA CYS A 85 138.358 -5.456 7.350 1.00 0.30 C ATOM 1335 C CYS A 85 138.896 -6.173 8.592 1.00 0.33 C ATOM 1336 O CYS A 85 140.067 -6.470 8.696 1.00 0.36 O ATOM 1337 CB CYS A 85 138.209 -3.964 7.659 1.00 0.33 C ATOM 1338 SG CYS A 85 137.871 -3.056 6.131 1.00 0.33 S ATOM 0 H CYS A 85 136.255 -5.358 6.995 1.00 0.27 H new ATOM 0 HA CYS A 85 139.050 -5.594 6.519 1.00 0.30 H new ATOM 0 HB2 CYS A 85 137.399 -3.809 8.372 1.00 0.33 H new ATOM 0 HB3 CYS A 85 139.120 -3.586 8.124 1.00 0.33 H new ATOM 0 HG CYS A 85 136.603 -3.129 5.855 1.00 0.33 H new ATOM 1344 N ASP A 86 138.048 -6.455 9.534 1.00 0.34 N ATOM 1345 CA ASP A 86 138.509 -7.149 10.767 1.00 0.39 C ATOM 1346 C ASP A 86 139.139 -8.496 10.407 1.00 0.41 C ATOM 1347 O ASP A 86 140.042 -8.965 11.071 1.00 0.43 O ATOM 1348 CB ASP A 86 137.318 -7.372 11.702 1.00 0.41 C ATOM 1349 CG ASP A 86 136.860 -6.029 12.275 1.00 0.42 C ATOM 1350 OD1 ASP A 86 137.648 -5.098 12.250 1.00 0.55 O ATOM 1351 OD2 ASP A 86 135.731 -5.955 12.729 1.00 0.51 O ATOM 0 H ASP A 86 137.052 -6.235 9.506 1.00 0.34 H new ATOM 0 HA ASP A 86 139.255 -6.531 11.267 1.00 0.39 H new ATOM 0 HB2 ASP A 86 136.500 -7.846 11.159 1.00 0.41 H new ATOM 0 HB3 ASP A 86 137.598 -8.048 12.510 1.00 0.41 H new ATOM 1356 N ALA A 87 138.662 -9.133 9.370 1.00 0.41 N ATOM 1357 CA ALA A 87 139.228 -10.464 8.981 1.00 0.43 C ATOM 1358 C ALA A 87 140.353 -10.303 7.949 1.00 0.43 C ATOM 1359 O ALA A 87 141.292 -11.074 7.927 1.00 0.48 O ATOM 1360 CB ALA A 87 138.114 -11.325 8.381 1.00 0.41 C ATOM 0 H ALA A 87 137.907 -8.792 8.775 1.00 0.41 H new ATOM 0 HA ALA A 87 139.640 -10.940 9.870 1.00 0.43 H new ATOM 0 HB1 ALA A 87 138.519 -12.296 8.095 1.00 0.41 H new ATOM 0 HB2 ALA A 87 137.324 -11.464 9.119 1.00 0.41 H new ATOM 0 HB3 ALA A 87 137.705 -10.829 7.501 1.00 0.41 H new ATOM 1366 N PHE A 88 140.254 -9.330 7.073 1.00 0.40 N ATOM 1367 CA PHE A 88 141.303 -9.146 6.011 1.00 0.44 C ATOM 1368 C PHE A 88 142.174 -7.918 6.294 1.00 0.54 C ATOM 1369 O PHE A 88 143.037 -7.573 5.510 1.00 1.24 O ATOM 1370 CB PHE A 88 140.616 -8.947 4.659 1.00 0.41 C ATOM 1371 CG PHE A 88 139.952 -10.230 4.227 1.00 0.39 C ATOM 1372 CD1 PHE A 88 140.675 -11.183 3.500 1.00 0.44 C ATOM 1373 CD2 PHE A 88 138.612 -10.468 4.553 1.00 0.35 C ATOM 1374 CE1 PHE A 88 140.057 -12.372 3.100 1.00 0.47 C ATOM 1375 CE2 PHE A 88 137.995 -11.657 4.154 1.00 0.40 C ATOM 1376 CZ PHE A 88 138.717 -12.608 3.428 1.00 0.45 C ATOM 0 H PHE A 88 139.492 -8.653 7.046 1.00 0.40 H new ATOM 0 HA PHE A 88 141.936 -10.033 6.003 1.00 0.44 H new ATOM 0 HB2 PHE A 88 139.875 -8.151 4.731 1.00 0.41 H new ATOM 0 HB3 PHE A 88 141.347 -8.636 3.912 1.00 0.41 H new ATOM 0 HD1 PHE A 88 141.709 -11.000 3.248 1.00 0.44 H new ATOM 0 HD2 PHE A 88 138.054 -9.732 5.113 1.00 0.35 H new ATOM 0 HE1 PHE A 88 140.613 -13.108 2.538 1.00 0.47 H new ATOM 0 HE2 PHE A 88 136.961 -11.841 4.407 1.00 0.40 H new ATOM 0 HZ PHE A 88 138.240 -13.527 3.119 1.00 0.45 H new ATOM 1386 N LEU A 89 141.950 -7.238 7.384 1.00 0.39 N ATOM 1387 CA LEU A 89 142.760 -6.017 7.681 1.00 0.36 C ATOM 1388 C LEU A 89 142.902 -5.857 9.198 1.00 0.87 C ATOM 1389 O LEU A 89 142.099 -6.434 9.912 1.00 1.43 O ATOM 1390 CB LEU A 89 142.032 -4.806 7.080 1.00 0.74 C ATOM 1391 CG LEU A 89 142.721 -3.491 7.460 1.00 0.47 C ATOM 1392 CD1 LEU A 89 144.162 -3.485 6.941 1.00 1.00 C ATOM 1393 CD2 LEU A 89 141.941 -2.322 6.834 1.00 1.28 C ATOM 1394 OXT LEU A 89 143.815 -5.166 9.618 1.00 1.66 O ATOM 0 H LEU A 89 141.244 -7.472 8.082 1.00 0.39 H new ATOM 0 HA LEU A 89 143.757 -6.100 7.249 1.00 0.36 H new ATOM 0 HB2 LEU A 89 142.000 -4.901 5.995 1.00 0.74 H new ATOM 0 HB3 LEU A 89 140.999 -4.791 7.429 1.00 0.74 H new ATOM 0 HG LEU A 89 142.738 -3.388 8.545 1.00 0.47 H new ATOM 0 HD11 LEU A 89 144.644 -2.547 7.216 1.00 1.00 H new ATOM 0 HD12 LEU A 89 144.711 -4.317 7.382 1.00 1.00 H new ATOM 0 HD13 LEU A 89 144.158 -3.587 5.856 1.00 1.00 H new ATOM 0 HD21 LEU A 89 142.423 -1.380 7.098 1.00 1.28 H new ATOM 0 HD22 LEU A 89 141.929 -2.432 5.750 1.00 1.28 H new ATOM 0 HD23 LEU A 89 140.918 -2.324 7.210 1.00 1.28 H new TER 1406 LEU A 89 ATOM 1407 N MET B 1 163.377 -2.861 -7.738 1.00 3.74 N ATOM 1408 CA MET B 1 162.678 -2.992 -6.429 1.00 3.26 C ATOM 1409 C MET B 1 163.676 -2.706 -5.301 1.00 2.28 C ATOM 1410 O MET B 1 163.752 -1.602 -4.797 1.00 2.68 O ATOM 1411 CB MET B 1 162.128 -4.415 -6.289 1.00 3.75 C ATOM 1412 CG MET B 1 161.207 -4.722 -7.473 1.00 4.33 C ATOM 1413 SD MET B 1 159.682 -3.746 -7.338 1.00 5.04 S ATOM 1414 CE MET B 1 158.562 -5.090 -6.870 1.00 5.66 C ATOM 0 H1 MET B 1 162.744 -2.405 -8.426 1.00 3.74 H new ATOM 0 H2 MET B 1 164.232 -2.282 -7.618 1.00 3.74 H new ATOM 0 H3 MET B 1 163.644 -3.804 -8.085 1.00 3.74 H new ATOM 0 HA MET B 1 161.853 -2.282 -6.373 1.00 3.26 H new ATOM 0 HB2 MET B 1 162.948 -5.132 -6.256 1.00 3.75 H new ATOM 0 HB3 MET B 1 161.580 -4.515 -5.352 1.00 3.75 H new ATOM 0 HG2 MET B 1 161.715 -4.492 -8.409 1.00 4.33 H new ATOM 0 HG3 MET B 1 160.968 -5.785 -7.493 1.00 4.33 H new ATOM 0 HE1 MET B 1 157.555 -4.695 -6.736 1.00 5.66 H new ATOM 0 HE2 MET B 1 158.554 -5.846 -7.655 1.00 5.66 H new ATOM 0 HE3 MET B 1 158.902 -5.539 -5.937 1.00 5.66 H new ATOM 1426 N THR B 2 164.445 -3.686 -4.906 1.00 1.63 N ATOM 1427 CA THR B 2 165.445 -3.467 -3.821 1.00 1.44 C ATOM 1428 C THR B 2 164.770 -2.786 -2.625 1.00 1.17 C ATOM 1429 O THR B 2 165.313 -1.876 -2.031 1.00 1.22 O ATOM 1430 CB THR B 2 166.594 -2.587 -4.344 1.00 2.22 C ATOM 1431 OG1 THR B 2 166.066 -1.553 -5.162 1.00 2.78 O ATOM 1432 CG2 THR B 2 167.564 -3.437 -5.171 1.00 3.02 C ATOM 0 H THR B 2 164.423 -4.631 -5.289 1.00 1.63 H new ATOM 0 HA THR B 2 165.848 -4.429 -3.503 1.00 1.44 H new ATOM 0 HB THR B 2 167.124 -2.152 -3.497 1.00 2.22 H new ATOM 0 HG1 THR B 2 165.254 -1.191 -4.749 1.00 2.78 H new ATOM 0 HG21 THR B 2 168.375 -2.809 -5.539 1.00 3.02 H new ATOM 0 HG22 THR B 2 167.974 -4.231 -4.548 1.00 3.02 H new ATOM 0 HG23 THR B 2 167.034 -3.876 -6.016 1.00 3.02 H new ATOM 1440 N THR B 3 163.589 -3.214 -2.271 1.00 0.96 N ATOM 1441 CA THR B 3 162.884 -2.584 -1.117 1.00 0.76 C ATOM 1442 C THR B 3 163.458 -3.121 0.199 1.00 0.69 C ATOM 1443 O THR B 3 164.103 -4.150 0.235 1.00 0.75 O ATOM 1444 CB THR B 3 161.389 -2.908 -1.192 1.00 0.69 C ATOM 1445 OG1 THR B 3 161.197 -4.300 -0.984 1.00 0.80 O ATOM 1446 CG2 THR B 3 160.845 -2.516 -2.568 1.00 0.76 C ATOM 0 H THR B 3 163.082 -3.971 -2.729 1.00 0.96 H new ATOM 0 HA THR B 3 163.026 -1.504 -1.157 1.00 0.76 H new ATOM 0 HB THR B 3 160.858 -2.348 -0.423 1.00 0.69 H new ATOM 0 HG1 THR B 3 160.503 -4.629 -1.592 1.00 0.80 H new ATOM 0 HG21 THR B 3 159.781 -2.748 -2.618 1.00 0.76 H new ATOM 0 HG22 THR B 3 160.991 -1.448 -2.726 1.00 0.76 H new ATOM 0 HG23 THR B 3 161.375 -3.073 -3.341 1.00 0.76 H new ATOM 1454 N SER B 4 163.225 -2.425 1.279 1.00 0.63 N ATOM 1455 CA SER B 4 163.753 -2.880 2.598 1.00 0.62 C ATOM 1456 C SER B 4 162.960 -4.101 3.075 1.00 0.60 C ATOM 1457 O SER B 4 161.944 -4.460 2.515 1.00 0.58 O ATOM 1458 CB SER B 4 163.613 -1.748 3.618 1.00 0.63 C ATOM 1459 OG SER B 4 162.234 -1.473 3.828 1.00 1.50 O ATOM 0 H SER B 4 162.689 -1.557 1.305 1.00 0.63 H new ATOM 0 HA SER B 4 164.804 -3.150 2.496 1.00 0.62 H new ATOM 0 HB2 SER B 4 164.087 -2.030 4.558 1.00 0.63 H new ATOM 0 HB3 SER B 4 164.123 -0.854 3.259 1.00 0.63 H new ATOM 0 HG SER B 4 162.141 -0.749 4.482 1.00 1.50 H new ATOM 1465 N GLN B 5 163.442 -4.746 4.104 1.00 0.63 N ATOM 1466 CA GLN B 5 162.759 -5.959 4.637 1.00 0.64 C ATOM 1467 C GLN B 5 161.333 -5.614 5.073 1.00 0.60 C ATOM 1468 O GLN B 5 160.474 -6.470 5.146 1.00 0.60 O ATOM 1469 CB GLN B 5 163.553 -6.505 5.826 1.00 0.71 C ATOM 1470 CG GLN B 5 162.862 -7.752 6.382 1.00 1.34 C ATOM 1471 CD GLN B 5 163.748 -8.388 7.456 1.00 1.59 C ATOM 1472 OE1 GLN B 5 164.910 -8.054 7.577 1.00 2.09 O ATOM 1473 NE2 GLN B 5 163.244 -9.290 8.254 1.00 2.18 N ATOM 0 H GLN B 5 164.291 -4.480 4.603 1.00 0.63 H new ATOM 0 HA GLN B 5 162.709 -6.717 3.855 1.00 0.64 H new ATOM 0 HB2 GLN B 5 164.569 -6.749 5.515 1.00 0.71 H new ATOM 0 HB3 GLN B 5 163.631 -5.744 6.603 1.00 0.71 H new ATOM 0 HG2 GLN B 5 161.893 -7.486 6.805 1.00 1.34 H new ATOM 0 HG3 GLN B 5 162.675 -8.466 5.580 1.00 1.34 H new ATOM 0 HE21 GLN B 5 162.269 -9.572 8.154 1.00 2.18 H new ATOM 0 HE22 GLN B 5 163.825 -9.713 8.977 1.00 2.18 H new ATOM 1482 N LYS B 6 161.069 -4.366 5.361 1.00 0.59 N ATOM 1483 CA LYS B 6 159.698 -3.966 5.787 1.00 0.57 C ATOM 1484 C LYS B 6 158.707 -4.304 4.673 1.00 0.51 C ATOM 1485 O LYS B 6 157.596 -4.726 4.925 1.00 0.50 O ATOM 1486 CB LYS B 6 159.674 -2.457 6.043 1.00 0.58 C ATOM 1487 CG LYS B 6 160.484 -2.141 7.302 1.00 0.66 C ATOM 1488 CD LYS B 6 160.461 -0.634 7.560 1.00 0.80 C ATOM 1489 CE LYS B 6 161.271 -0.320 8.819 1.00 1.25 C ATOM 1490 NZ LYS B 6 162.681 -0.767 8.628 1.00 2.01 N ATOM 0 H LYS B 6 161.747 -3.605 5.319 1.00 0.59 H new ATOM 0 HA LYS B 6 159.423 -4.499 6.697 1.00 0.57 H new ATOM 0 HB2 LYS B 6 160.090 -1.925 5.187 1.00 0.58 H new ATOM 0 HB3 LYS B 6 158.646 -2.114 6.163 1.00 0.58 H new ATOM 0 HG2 LYS B 6 160.068 -2.673 8.158 1.00 0.66 H new ATOM 0 HG3 LYS B 6 161.512 -2.484 7.182 1.00 0.66 H new ATOM 0 HD2 LYS B 6 160.877 -0.101 6.705 1.00 0.80 H new ATOM 0 HD3 LYS B 6 159.434 -0.290 7.680 1.00 0.80 H new ATOM 0 HE2 LYS B 6 161.242 0.750 9.025 1.00 1.25 H new ATOM 0 HE3 LYS B 6 160.833 -0.823 9.681 1.00 1.25 H new ATOM 0 HZ1 LYS B 6 163.301 -0.247 9.281 1.00 2.01 H new ATOM 0 HZ2 LYS B 6 162.751 -1.786 8.821 1.00 2.01 H new ATOM 0 HZ3 LYS B 6 162.975 -0.580 7.648 1.00 2.01 H new ATOM 1504 N HIS B 7 159.095 -4.110 3.446 1.00 0.49 N ATOM 1505 CA HIS B 7 158.171 -4.406 2.316 1.00 0.45 C ATOM 1506 C HIS B 7 157.708 -5.867 2.381 1.00 0.45 C ATOM 1507 O HIS B 7 156.531 -6.158 2.294 1.00 0.43 O ATOM 1508 CB HIS B 7 158.910 -4.142 0.995 1.00 0.45 C ATOM 1509 CG HIS B 7 158.153 -4.743 -0.161 1.00 0.42 C ATOM 1510 ND1 HIS B 7 157.391 -3.977 -1.032 1.00 0.39 N ATOM 1511 CD2 HIS B 7 158.041 -6.037 -0.603 1.00 0.45 C ATOM 1512 CE1 HIS B 7 156.860 -4.812 -1.946 1.00 0.38 C ATOM 1513 NE2 HIS B 7 157.226 -6.076 -1.726 1.00 0.42 N ATOM 0 H HIS B 7 160.013 -3.759 3.175 1.00 0.49 H new ATOM 0 HA HIS B 7 157.291 -3.766 2.381 1.00 0.45 H new ATOM 0 HB2 HIS B 7 159.025 -3.069 0.844 1.00 0.45 H new ATOM 0 HB3 HIS B 7 159.913 -4.567 1.041 1.00 0.45 H new ATOM 0 HD2 HIS B 7 158.514 -6.894 -0.147 1.00 0.45 H new ATOM 0 HE1 HIS B 7 156.218 -4.498 -2.756 1.00 0.38 H new ATOM 0 HE2 HIS B 7 156.962 -6.898 -2.269 1.00 0.42 H new ATOM 1521 N ARG B 8 158.627 -6.790 2.524 1.00 0.48 N ATOM 1522 CA ARG B 8 158.256 -8.231 2.581 1.00 0.50 C ATOM 1523 C ARG B 8 157.530 -8.534 3.894 1.00 0.51 C ATOM 1524 O ARG B 8 156.637 -9.355 3.949 1.00 0.51 O ATOM 1525 CB ARG B 8 159.535 -9.071 2.507 1.00 0.55 C ATOM 1526 CG ARG B 8 160.153 -8.933 1.114 1.00 0.57 C ATOM 1527 CD ARG B 8 161.459 -9.728 1.047 1.00 1.00 C ATOM 1528 NE ARG B 8 161.169 -11.185 1.129 1.00 1.70 N ATOM 1529 CZ ARG B 8 162.075 -12.049 0.757 1.00 2.29 C ATOM 1530 NH1 ARG B 8 163.241 -11.636 0.344 1.00 2.43 N ATOM 1531 NH2 ARG B 8 161.813 -13.327 0.801 1.00 3.23 N ATOM 0 H ARG B 8 159.626 -6.601 2.604 1.00 0.48 H new ATOM 0 HA ARG B 8 157.597 -8.471 1.747 1.00 0.50 H new ATOM 0 HB2 ARG B 8 160.244 -8.741 3.266 1.00 0.55 H new ATOM 0 HB3 ARG B 8 159.309 -10.117 2.715 1.00 0.55 H new ATOM 0 HG2 ARG B 8 159.456 -9.296 0.359 1.00 0.57 H new ATOM 0 HG3 ARG B 8 160.344 -7.883 0.893 1.00 0.57 H new ATOM 0 HD2 ARG B 8 161.984 -9.504 0.118 1.00 1.00 H new ATOM 0 HD3 ARG B 8 162.117 -9.433 1.864 1.00 1.00 H new ATOM 0 HE ARG B 8 160.265 -11.508 1.475 1.00 1.70 H new ATOM 0 HH11 ARG B 8 163.446 -10.637 0.311 1.00 2.43 H new ATOM 0 HH12 ARG B 8 163.948 -12.312 0.054 1.00 2.43 H new ATOM 0 HH21 ARG B 8 160.902 -13.650 1.126 1.00 3.23 H new ATOM 0 HH22 ARG B 8 162.520 -14.003 0.511 1.00 3.23 H new ATOM 1545 N ASP B 9 157.902 -7.869 4.947 1.00 0.52 N ATOM 1546 CA ASP B 9 157.230 -8.108 6.255 1.00 0.54 C ATOM 1547 C ASP B 9 155.808 -7.548 6.215 1.00 0.49 C ATOM 1548 O ASP B 9 154.893 -8.103 6.791 1.00 0.48 O ATOM 1549 CB ASP B 9 158.009 -7.432 7.381 1.00 0.61 C ATOM 1550 CG ASP B 9 159.333 -8.164 7.604 1.00 0.68 C ATOM 1551 OD1 ASP B 9 159.499 -9.232 7.037 1.00 0.67 O ATOM 1552 OD2 ASP B 9 160.153 -7.650 8.346 1.00 0.76 O ATOM 0 H ASP B 9 158.643 -7.169 4.961 1.00 0.52 H new ATOM 0 HA ASP B 9 157.196 -9.182 6.440 1.00 0.54 H new ATOM 0 HB2 ASP B 9 158.197 -6.388 7.130 1.00 0.61 H new ATOM 0 HB3 ASP B 9 157.420 -7.438 8.298 1.00 0.61 H new ATOM 1557 N PHE B 10 155.623 -6.440 5.551 1.00 0.46 N ATOM 1558 CA PHE B 10 154.268 -5.825 5.485 1.00 0.43 C ATOM 1559 C PHE B 10 153.312 -6.752 4.729 1.00 0.37 C ATOM 1560 O PHE B 10 152.179 -6.946 5.122 1.00 0.36 O ATOM 1561 CB PHE B 10 154.380 -4.487 4.746 1.00 0.45 C ATOM 1562 CD1 PHE B 10 152.840 -2.847 5.880 1.00 0.44 C ATOM 1563 CD2 PHE B 10 152.103 -3.909 3.828 1.00 0.43 C ATOM 1564 CE1 PHE B 10 151.636 -2.136 5.945 1.00 0.44 C ATOM 1565 CE2 PHE B 10 150.897 -3.199 3.895 1.00 0.43 C ATOM 1566 CZ PHE B 10 150.664 -2.313 4.953 1.00 0.43 C ATOM 0 H PHE B 10 156.353 -5.934 5.051 1.00 0.46 H new ATOM 0 HA PHE B 10 153.881 -5.668 6.492 1.00 0.43 H new ATOM 0 HE1 PHE B 10 151.457 -1.451 6.760 1.00 0.44 H new ATOM 0 HE2 PHE B 10 150.147 -3.335 3.130 1.00 0.43 H new ATOM 0 HZ PHE B 10 149.734 -1.766 5.004 1.00 0.43 H new ATOM 1576 N VAL B 11 153.757 -7.322 3.641 1.00 0.37 N ATOM 1577 CA VAL B 11 152.874 -8.232 2.850 1.00 0.35 C ATOM 1578 C VAL B 11 152.906 -9.648 3.438 1.00 0.36 C ATOM 1579 O VAL B 11 152.481 -10.594 2.804 1.00 0.37 O ATOM 1580 CB VAL B 11 153.361 -8.275 1.400 1.00 0.37 C ATOM 1581 CG1 VAL B 11 153.457 -6.848 0.850 1.00 0.44 C ATOM 1582 CG2 VAL B 11 154.740 -8.936 1.347 1.00 0.40 C ATOM 0 H VAL B 11 154.696 -7.197 3.264 1.00 0.37 H new ATOM 0 HA VAL B 11 151.852 -7.855 2.888 1.00 0.35 H new ATOM 0 HB VAL B 11 152.658 -8.849 0.797 1.00 0.37 H new ATOM 0 HG11 VAL B 11 153.804 -6.879 -0.183 1.00 0.44 H new ATOM 0 HG12 VAL B 11 152.475 -6.376 0.889 1.00 0.44 H new ATOM 0 HG13 VAL B 11 154.160 -6.273 1.452 1.00 0.44 H new ATOM 0 HG21 VAL B 11 155.089 -8.968 0.315 1.00 0.40 H new ATOM 0 HG22 VAL B 11 155.443 -8.361 1.950 1.00 0.40 H new ATOM 0 HG23 VAL B 11 154.672 -9.951 1.738 1.00 0.40 H new ATOM 1592 N ALA B 12 153.411 -9.803 4.640 1.00 0.41 N ATOM 1593 CA ALA B 12 153.481 -11.164 5.274 1.00 0.47 C ATOM 1594 C ALA B 12 152.621 -11.205 6.540 1.00 0.45 C ATOM 1595 O ALA B 12 152.390 -12.257 7.103 1.00 0.48 O ATOM 1596 CB ALA B 12 154.932 -11.473 5.649 1.00 0.53 C ATOM 0 H ALA B 12 153.780 -9.044 5.213 1.00 0.41 H new ATOM 0 HA ALA B 12 153.110 -11.903 4.564 1.00 0.47 H new ATOM 0 HB1 ALA B 12 154.987 -12.460 6.109 1.00 0.53 H new ATOM 0 HB2 ALA B 12 155.551 -11.456 4.752 1.00 0.53 H new ATOM 0 HB3 ALA B 12 155.293 -10.724 6.353 1.00 0.53 H new ATOM 1602 N GLU B 13 152.128 -10.081 6.988 1.00 0.42 N ATOM 1603 CA GLU B 13 151.269 -10.085 8.210 1.00 0.43 C ATOM 1604 C GLU B 13 150.354 -8.850 8.194 1.00 0.39 C ATOM 1605 O GLU B 13 150.728 -7.817 7.673 1.00 0.36 O ATOM 1606 CB GLU B 13 152.152 -10.053 9.461 1.00 0.46 C ATOM 1607 CG GLU B 13 153.157 -8.900 9.365 1.00 0.48 C ATOM 1608 CD GLU B 13 153.764 -8.638 10.745 1.00 0.62 C ATOM 1609 OE1 GLU B 13 153.873 -9.582 11.510 1.00 1.27 O ATOM 1610 OE2 GLU B 13 154.106 -7.499 11.014 1.00 1.04 O ATOM 0 H GLU B 13 152.281 -9.166 6.565 1.00 0.42 H new ATOM 0 HA GLU B 13 150.661 -10.989 8.223 1.00 0.43 H new ATOM 0 HB2 GLU B 13 151.533 -9.933 10.350 1.00 0.46 H new ATOM 0 HB3 GLU B 13 152.682 -11.000 9.567 1.00 0.46 H new ATOM 0 HG2 GLU B 13 153.943 -9.147 8.651 1.00 0.48 H new ATOM 0 HG3 GLU B 13 152.662 -8.001 8.997 1.00 0.48 H new ATOM 1617 N PRO B 14 149.175 -8.932 8.770 1.00 0.42 N ATOM 1618 CA PRO B 14 148.243 -7.773 8.815 1.00 0.40 C ATOM 1619 C PRO B 14 148.994 -6.469 9.099 1.00 0.36 C ATOM 1620 O PRO B 14 150.059 -6.477 9.685 1.00 0.36 O ATOM 1621 CB PRO B 14 147.295 -8.121 9.971 1.00 0.45 C ATOM 1622 CG PRO B 14 147.265 -9.622 10.020 1.00 0.49 C ATOM 1623 CD PRO B 14 148.600 -10.120 9.433 1.00 0.48 C ATOM 0 HA PRO B 14 147.724 -7.613 7.870 1.00 0.40 H new ATOM 0 HB2 PRO B 14 147.653 -7.704 10.912 1.00 0.45 H new ATOM 0 HB3 PRO B 14 146.299 -7.713 9.799 1.00 0.45 H new ATOM 0 HG2 PRO B 14 147.140 -9.972 11.045 1.00 0.49 H new ATOM 0 HG3 PRO B 14 146.423 -10.010 9.446 1.00 0.49 H new ATOM 0 HD2 PRO B 14 149.261 -10.499 10.213 1.00 0.48 H new ATOM 0 HD3 PRO B 14 148.444 -10.934 8.725 1.00 0.48 H new ATOM 1631 N MET B 15 148.457 -5.349 8.701 1.00 0.35 N ATOM 1632 CA MET B 15 149.157 -4.056 8.966 1.00 0.34 C ATOM 1633 C MET B 15 148.679 -3.489 10.304 1.00 0.35 C ATOM 1634 O MET B 15 149.334 -2.669 10.916 1.00 0.37 O ATOM 1635 CB MET B 15 148.856 -3.065 7.841 1.00 0.36 C ATOM 1636 CG MET B 15 147.358 -3.046 7.545 1.00 0.40 C ATOM 1637 SD MET B 15 146.965 -1.541 6.612 1.00 0.56 S ATOM 1638 CE MET B 15 146.959 -2.269 4.954 1.00 0.42 C ATOM 0 H MET B 15 147.569 -5.271 8.206 1.00 0.35 H new ATOM 0 HA MET B 15 150.233 -4.225 9.008 1.00 0.34 H new ATOM 0 HB2 MET B 15 149.191 -2.067 8.125 1.00 0.36 H new ATOM 0 HB3 MET B 15 149.408 -3.343 6.943 1.00 0.36 H new ATOM 0 HG2 MET B 15 147.075 -3.929 6.973 1.00 0.40 H new ATOM 0 HG3 MET B 15 146.789 -3.073 8.475 1.00 0.40 H new ATOM 0 HE1 MET B 15 147.072 -1.480 4.210 1.00 0.42 H new ATOM 0 HE2 MET B 15 147.785 -2.975 4.863 1.00 0.42 H new ATOM 0 HE3 MET B 15 146.016 -2.791 4.789 1.00 0.42 H new ATOM 1648 N GLY B 16 147.542 -3.937 10.765 1.00 0.36 N ATOM 1649 CA GLY B 16 147.010 -3.448 12.069 1.00 0.39 C ATOM 1650 C GLY B 16 146.916 -1.922 12.066 1.00 0.38 C ATOM 1651 O GLY B 16 146.493 -1.315 11.103 1.00 0.37 O ATOM 0 H GLY B 16 146.956 -4.624 10.291 1.00 0.36 H new ATOM 0 HA2 GLY B 16 146.026 -3.879 12.253 1.00 0.39 H new ATOM 0 HA3 GLY B 16 147.659 -3.777 12.881 1.00 0.39 H new ATOM 1655 N GLU B 17 147.289 -1.303 13.159 1.00 0.40 N ATOM 1656 CA GLU B 17 147.207 0.188 13.271 1.00 0.41 C ATOM 1657 C GLU B 17 148.603 0.806 13.193 1.00 0.38 C ATOM 1658 O GLU B 17 148.863 1.843 13.770 1.00 0.39 O ATOM 1659 CB GLU B 17 146.557 0.547 14.607 1.00 0.46 C ATOM 1660 CG GLU B 17 145.075 0.168 14.562 1.00 0.50 C ATOM 1661 CD GLU B 17 144.424 0.469 15.913 1.00 0.55 C ATOM 1662 OE1 GLU B 17 145.155 0.688 16.865 1.00 0.73 O ATOM 1663 OE2 GLU B 17 143.205 0.483 15.971 1.00 0.84 O ATOM 0 H GLU B 17 147.651 -1.773 13.989 1.00 0.40 H new ATOM 0 HA GLU B 17 146.610 0.580 12.448 1.00 0.41 H new ATOM 0 HB2 GLU B 17 147.055 0.020 15.421 1.00 0.46 H new ATOM 0 HB3 GLU B 17 146.666 1.614 14.804 1.00 0.46 H new ATOM 0 HG2 GLU B 17 144.571 0.726 13.772 1.00 0.50 H new ATOM 0 HG3 GLU B 17 144.968 -0.890 14.323 1.00 0.50 H new ATOM 1670 N LYS B 18 149.504 0.186 12.481 1.00 0.36 N ATOM 1671 CA LYS B 18 150.873 0.758 12.373 1.00 0.35 C ATOM 1672 C LYS B 18 150.754 2.153 11.745 1.00 0.31 C ATOM 1673 O LYS B 18 149.862 2.401 10.959 1.00 0.30 O ATOM 1674 CB LYS B 18 151.730 -0.131 11.467 1.00 0.35 C ATOM 1675 CG LYS B 18 152.023 -1.460 12.166 1.00 0.45 C ATOM 1676 CD LYS B 18 152.568 -2.460 11.144 1.00 1.16 C ATOM 1677 CE LYS B 18 152.750 -3.828 11.806 1.00 1.44 C ATOM 1678 NZ LYS B 18 153.604 -3.684 13.019 1.00 2.02 N ATOM 0 H LYS B 18 149.352 -0.686 11.973 1.00 0.36 H new ATOM 0 HA LYS B 18 151.338 0.817 13.357 1.00 0.35 H new ATOM 0 HB2 LYS B 18 151.212 -0.312 10.525 1.00 0.35 H new ATOM 0 HB3 LYS B 18 152.664 0.376 11.224 1.00 0.35 H new ATOM 0 HG2 LYS B 18 152.747 -1.311 12.967 1.00 0.45 H new ATOM 0 HG3 LYS B 18 151.115 -1.850 12.625 1.00 0.45 H new ATOM 0 HD2 LYS B 18 151.883 -2.542 10.300 1.00 1.16 H new ATOM 0 HD3 LYS B 18 153.520 -2.107 10.748 1.00 1.16 H new ATOM 0 HE2 LYS B 18 151.780 -4.244 12.079 1.00 1.44 H new ATOM 0 HE3 LYS B 18 153.210 -4.525 11.105 1.00 1.44 H new ATOM 0 HZ1 LYS B 18 154.006 -4.609 13.272 1.00 2.02 H new ATOM 0 HZ2 LYS B 18 154.375 -3.014 12.823 1.00 2.02 H new ATOM 0 HZ3 LYS B 18 153.028 -3.329 13.809 1.00 2.02 H new ATOM 1692 N PRO B 19 151.622 3.072 12.097 1.00 0.31 N ATOM 1693 CA PRO B 19 151.568 4.464 11.556 1.00 0.29 C ATOM 1694 C PRO B 19 151.750 4.512 10.035 1.00 0.25 C ATOM 1695 O PRO B 19 152.268 3.599 9.424 1.00 0.23 O ATOM 1696 CB PRO B 19 152.714 5.197 12.283 1.00 0.32 C ATOM 1697 CG PRO B 19 153.630 4.113 12.763 1.00 0.32 C ATOM 1698 CD PRO B 19 152.745 2.896 13.033 1.00 0.34 C ATOM 0 HA PRO B 19 150.595 4.924 11.728 1.00 0.29 H new ATOM 0 HB2 PRO B 19 153.232 5.882 11.612 1.00 0.32 H new ATOM 0 HB3 PRO B 19 152.336 5.791 13.115 1.00 0.32 H new ATOM 0 HG2 PRO B 19 154.389 3.884 12.014 1.00 0.32 H new ATOM 0 HG3 PRO B 19 154.156 4.420 13.667 1.00 0.32 H new ATOM 0 HD2 PRO B 19 153.278 1.963 12.849 1.00 0.34 H new ATOM 0 HD3 PRO B 19 152.404 2.869 14.068 1.00 0.34 H new ATOM 1706 N VAL B 20 151.311 5.581 9.430 1.00 0.24 N ATOM 1707 CA VAL B 20 151.428 5.720 7.953 1.00 0.22 C ATOM 1708 C VAL B 20 152.890 5.592 7.515 1.00 0.21 C ATOM 1709 O VAL B 20 153.216 4.868 6.594 1.00 0.22 O ATOM 1710 CB VAL B 20 150.872 7.087 7.534 1.00 0.26 C ATOM 1711 CG1 VAL B 20 151.619 8.206 8.272 1.00 0.32 C ATOM 1712 CG2 VAL B 20 151.039 7.270 6.019 1.00 0.28 C ATOM 0 H VAL B 20 150.872 6.372 9.902 1.00 0.24 H new ATOM 0 HA VAL B 20 150.857 4.926 7.471 1.00 0.22 H new ATOM 0 HB VAL B 20 149.814 7.134 7.791 1.00 0.26 H new ATOM 0 HG11 VAL B 20 151.218 9.173 7.968 1.00 0.32 H new ATOM 0 HG12 VAL B 20 151.491 8.081 9.347 1.00 0.32 H new ATOM 0 HG13 VAL B 20 152.680 8.160 8.025 1.00 0.32 H new ATOM 0 HG21 VAL B 20 150.643 8.242 5.724 1.00 0.28 H new ATOM 0 HG22 VAL B 20 152.096 7.215 5.760 1.00 0.28 H new ATOM 0 HG23 VAL B 20 150.496 6.483 5.495 1.00 0.28 H new ATOM 1722 N GLY B 21 153.765 6.313 8.162 1.00 0.22 N ATOM 1723 CA GLY B 21 155.210 6.272 7.787 1.00 0.21 C ATOM 1724 C GLY B 21 155.733 4.832 7.794 1.00 0.19 C ATOM 1725 O GLY B 21 156.880 4.585 7.476 1.00 0.19 O ATOM 0 H GLY B 21 153.540 6.933 8.940 1.00 0.22 H new ATOM 0 HA2 GLY B 21 155.346 6.708 6.797 1.00 0.21 H new ATOM 0 HA3 GLY B 21 155.789 6.877 8.485 1.00 0.21 H new ATOM 1729 N SER B 22 154.917 3.875 8.150 1.00 0.20 N ATOM 1730 CA SER B 22 155.397 2.462 8.168 1.00 0.20 C ATOM 1731 C SER B 22 155.340 1.872 6.760 1.00 0.19 C ATOM 1732 O SER B 22 156.047 0.940 6.434 1.00 0.20 O ATOM 1733 CB SER B 22 154.501 1.636 9.083 1.00 0.23 C ATOM 1734 OG SER B 22 153.234 1.460 8.464 1.00 1.24 O ATOM 0 H SER B 22 153.945 4.009 8.428 1.00 0.20 H new ATOM 0 HA SER B 22 156.425 2.442 8.530 1.00 0.20 H new ATOM 0 HB2 SER B 22 154.959 0.667 9.282 1.00 0.23 H new ATOM 0 HB3 SER B 22 154.383 2.136 10.044 1.00 0.23 H new ATOM 0 HG SER B 22 152.637 2.191 8.727 1.00 1.24 H new ATOM 1740 N LEU B 23 154.493 2.400 5.928 1.00 0.18 N ATOM 1741 CA LEU B 23 154.375 1.859 4.544 1.00 0.18 C ATOM 1742 C LEU B 23 155.709 2.007 3.813 1.00 0.18 C ATOM 1743 O LEU B 23 156.389 3.010 3.916 1.00 0.18 O ATOM 1744 CB LEU B 23 153.289 2.627 3.784 1.00 0.19 C ATOM 1745 CG LEU B 23 151.901 2.280 4.347 1.00 0.21 C ATOM 1746 CD1 LEU B 23 150.864 3.253 3.770 1.00 0.23 C ATOM 1747 CD2 LEU B 23 151.508 0.835 3.972 1.00 0.24 C ATOM 0 H LEU B 23 153.876 3.183 6.143 1.00 0.18 H new ATOM 0 HA LEU B 23 154.108 0.803 4.594 1.00 0.18 H new ATOM 0 HB2 LEU B 23 153.466 3.699 3.867 1.00 0.19 H new ATOM 0 HB3 LEU B 23 153.332 2.378 2.724 1.00 0.19 H new ATOM 0 HG LEU B 23 151.931 2.364 5.433 1.00 0.21 H new ATOM 0 HD11 LEU B 23 149.878 3.011 4.166 1.00 0.23 H new ATOM 0 HD12 LEU B 23 151.127 4.273 4.050 1.00 0.23 H new ATOM 0 HD13 LEU B 23 150.849 3.167 2.683 1.00 0.23 H new ATOM 0 HD21 LEU B 23 150.523 0.608 4.380 1.00 0.24 H new ATOM 0 HD22 LEU B 23 151.484 0.734 2.887 1.00 0.24 H new ATOM 0 HD23 LEU B 23 152.240 0.140 4.384 1.00 0.24 H new ATOM 1759 N ALA B 24 156.077 1.002 3.076 1.00 0.18 N ATOM 1760 CA ALA B 24 157.362 1.053 2.326 1.00 0.19 C ATOM 1761 C ALA B 24 157.310 2.171 1.282 1.00 0.19 C ATOM 1762 O ALA B 24 156.349 2.321 0.555 1.00 0.20 O ATOM 1763 CB ALA B 24 157.596 -0.288 1.630 1.00 0.21 C ATOM 0 H ALA B 24 155.542 0.142 2.959 1.00 0.18 H new ATOM 0 HA ALA B 24 158.178 1.251 3.021 1.00 0.19 H new ATOM 0 HB1 ALA B 24 158.536 -0.253 1.080 1.00 0.21 H new ATOM 0 HB2 ALA B 24 157.641 -1.082 2.375 1.00 0.21 H new ATOM 0 HB3 ALA B 24 156.778 -0.486 0.938 1.00 0.21 H new ATOM 1769 N GLY B 25 158.349 2.959 1.216 1.00 0.20 N ATOM 1770 CA GLY B 25 158.391 4.086 0.232 1.00 0.21 C ATOM 1771 C GLY B 25 157.971 5.381 0.931 1.00 0.20 C ATOM 1772 O GLY B 25 158.278 6.467 0.482 1.00 0.22 O ATOM 0 H GLY B 25 159.178 2.872 1.804 1.00 0.20 H new ATOM 0 HA2 GLY B 25 159.396 4.189 -0.178 1.00 0.21 H new ATOM 0 HA3 GLY B 25 157.725 3.878 -0.605 1.00 0.21 H new ATOM 1776 N ILE B 26 157.283 5.272 2.038 1.00 0.20 N ATOM 1777 CA ILE B 26 156.851 6.493 2.788 1.00 0.21 C ATOM 1778 C ILE B 26 157.824 6.702 3.943 1.00 0.23 C ATOM 1779 O ILE B 26 157.872 5.912 4.865 1.00 0.25 O ATOM 1780 CB ILE B 26 155.437 6.283 3.343 1.00 0.22 C ATOM 1781 CG1 ILE B 26 154.478 5.903 2.204 1.00 0.22 C ATOM 1782 CG2 ILE B 26 154.948 7.568 4.017 1.00 0.24 C ATOM 1783 CD1 ILE B 26 154.550 6.934 1.070 1.00 0.24 C ATOM 0 H ILE B 26 157.000 4.387 2.458 1.00 0.20 H new ATOM 0 HA ILE B 26 156.846 7.362 2.130 1.00 0.21 H new ATOM 0 HB ILE B 26 155.461 5.477 4.076 1.00 0.22 H new ATOM 0 HG12 ILE B 26 154.733 4.915 1.821 1.00 0.22 H new ATOM 0 HG13 ILE B 26 153.458 5.844 2.585 1.00 0.22 H new ATOM 0 HG21 ILE B 26 153.943 7.413 4.409 1.00 0.24 H new ATOM 0 HG22 ILE B 26 155.621 7.829 4.834 1.00 0.24 H new ATOM 0 HG23 ILE B 26 154.932 8.378 3.288 1.00 0.24 H new ATOM 0 HD11 ILE B 26 153.864 6.647 0.273 1.00 0.24 H new ATOM 0 HD12 ILE B 26 154.271 7.916 1.453 1.00 0.24 H new ATOM 0 HD13 ILE B 26 155.566 6.973 0.677 1.00 0.24 H new ATOM 1795 N GLY B 27 158.600 7.752 3.920 1.00 0.24 N ATOM 1796 CA GLY B 27 159.560 7.987 5.037 1.00 0.27 C ATOM 1797 C GLY B 27 158.919 8.896 6.085 1.00 0.28 C ATOM 1798 O GLY B 27 157.782 9.307 5.960 1.00 0.27 O ATOM 0 H GLY B 27 158.611 8.454 3.180 1.00 0.24 H new ATOM 0 HA2 GLY B 27 159.845 7.038 5.490 1.00 0.27 H new ATOM 0 HA3 GLY B 27 160.473 8.444 4.655 1.00 0.27 H new ATOM 1802 N GLU B 28 159.637 9.194 7.127 1.00 0.30 N ATOM 1803 CA GLU B 28 159.066 10.057 8.197 1.00 0.32 C ATOM 1804 C GLU B 28 158.592 11.382 7.596 1.00 0.32 C ATOM 1805 O GLU B 28 157.561 11.904 7.968 1.00 0.35 O ATOM 1806 CB GLU B 28 160.135 10.330 9.258 1.00 0.36 C ATOM 1807 CG GLU B 28 160.454 9.034 10.006 1.00 0.39 C ATOM 1808 CD GLU B 28 159.255 8.625 10.864 1.00 1.27 C ATOM 1809 OE1 GLU B 28 158.464 9.493 11.192 1.00 2.00 O ATOM 1810 OE2 GLU B 28 159.147 7.450 11.175 1.00 1.64 O ATOM 0 H GLU B 28 160.594 8.879 7.286 1.00 0.30 H new ATOM 0 HA GLU B 28 158.219 9.547 8.656 1.00 0.32 H new ATOM 0 HB2 GLU B 28 161.037 10.723 8.788 1.00 0.36 H new ATOM 0 HB3 GLU B 28 159.783 11.089 9.957 1.00 0.36 H new ATOM 0 HG2 GLU B 28 160.692 8.242 9.296 1.00 0.39 H new ATOM 0 HG3 GLU B 28 161.333 9.173 10.635 1.00 0.39 H new ATOM 1817 N VAL B 29 159.332 11.938 6.676 1.00 0.31 N ATOM 1818 CA VAL B 29 158.910 13.233 6.072 1.00 0.33 C ATOM 1819 C VAL B 29 157.631 13.025 5.257 1.00 0.33 C ATOM 1820 O VAL B 29 156.714 13.821 5.311 1.00 0.35 O ATOM 1821 CB VAL B 29 160.025 13.756 5.160 1.00 0.34 C ATOM 1822 CG1 VAL B 29 159.523 14.958 4.355 1.00 0.38 C ATOM 1823 CG2 VAL B 29 161.222 14.179 6.014 1.00 0.35 C ATOM 0 H VAL B 29 160.206 11.554 6.318 1.00 0.31 H new ATOM 0 HA VAL B 29 158.718 13.959 6.862 1.00 0.33 H new ATOM 0 HB VAL B 29 160.325 12.966 4.471 1.00 0.34 H new ATOM 0 HG11 VAL B 29 160.322 15.323 3.710 1.00 0.38 H new ATOM 0 HG12 VAL B 29 158.672 14.657 3.744 1.00 0.38 H new ATOM 0 HG13 VAL B 29 159.217 15.751 5.038 1.00 0.38 H new ATOM 0 HG21 VAL B 29 162.017 14.551 5.368 1.00 0.35 H new ATOM 0 HG22 VAL B 29 160.917 14.966 6.704 1.00 0.35 H new ATOM 0 HG23 VAL B 29 161.586 13.322 6.580 1.00 0.35 H new ATOM 1833 N LEU B 30 157.562 11.966 4.500 1.00 0.32 N ATOM 1834 CA LEU B 30 156.345 11.712 3.680 1.00 0.33 C ATOM 1835 C LEU B 30 155.166 11.395 4.603 1.00 0.32 C ATOM 1836 O LEU B 30 154.052 11.822 4.374 1.00 0.33 O ATOM 1837 CB LEU B 30 156.592 10.526 2.739 1.00 0.33 C ATOM 1838 CG LEU B 30 157.711 10.862 1.739 1.00 0.35 C ATOM 1839 CD1 LEU B 30 157.992 9.632 0.867 1.00 0.36 C ATOM 1840 CD2 LEU B 30 157.292 12.044 0.843 1.00 0.40 C ATOM 0 H LEU B 30 158.297 11.264 4.414 1.00 0.32 H new ATOM 0 HA LEU B 30 156.117 12.599 3.088 1.00 0.33 H new ATOM 0 HB2 LEU B 30 156.865 9.644 3.318 1.00 0.33 H new ATOM 0 HB3 LEU B 30 155.676 10.283 2.201 1.00 0.33 H new ATOM 0 HG LEU B 30 158.610 11.141 2.289 1.00 0.35 H new ATOM 0 HD11 LEU B 30 158.785 9.864 0.156 1.00 0.36 H new ATOM 0 HD12 LEU B 30 158.304 8.801 1.500 1.00 0.36 H new ATOM 0 HD13 LEU B 30 157.087 9.356 0.325 1.00 0.36 H new ATOM 0 HD21 LEU B 30 158.094 12.270 0.140 1.00 0.40 H new ATOM 0 HD22 LEU B 30 156.390 11.780 0.291 1.00 0.40 H new ATOM 0 HD23 LEU B 30 157.095 12.919 1.463 1.00 0.40 H new ATOM 1852 N GLY B 31 155.406 10.643 5.640 1.00 0.33 N ATOM 1853 CA GLY B 31 154.302 10.290 6.578 1.00 0.34 C ATOM 1854 C GLY B 31 153.703 11.562 7.187 1.00 0.35 C ATOM 1855 O GLY B 31 152.502 11.681 7.332 1.00 0.36 O ATOM 0 H GLY B 31 156.319 10.257 5.880 1.00 0.33 H new ATOM 0 HA2 GLY B 31 153.529 9.732 6.049 1.00 0.34 H new ATOM 0 HA3 GLY B 31 154.679 9.641 7.369 1.00 0.34 H new ATOM 1859 N LYS B 32 154.524 12.514 7.547 1.00 0.35 N ATOM 1860 CA LYS B 32 153.983 13.769 8.147 1.00 0.37 C ATOM 1861 C LYS B 32 153.128 14.515 7.123 1.00 0.37 C ATOM 1862 O LYS B 32 152.112 15.088 7.459 1.00 0.38 O ATOM 1863 CB LYS B 32 155.129 14.674 8.602 1.00 0.40 C ATOM 1864 CG LYS B 32 155.823 14.051 9.818 1.00 1.18 C ATOM 1865 CD LYS B 32 156.868 15.024 10.385 1.00 1.36 C ATOM 1866 CE LYS B 32 158.132 15.022 9.516 1.00 2.07 C ATOM 1867 NZ LYS B 32 158.623 13.625 9.345 1.00 2.75 N ATOM 0 H LYS B 32 155.539 12.477 7.452 1.00 0.35 H new ATOM 0 HA LYS B 32 153.369 13.503 9.008 1.00 0.37 H new ATOM 0 HB2 LYS B 32 155.845 14.807 7.791 1.00 0.40 H new ATOM 0 HB3 LYS B 32 154.747 15.663 8.856 1.00 0.40 H new ATOM 0 HG2 LYS B 32 155.086 13.810 10.584 1.00 1.18 H new ATOM 0 HG3 LYS B 32 156.303 13.115 9.533 1.00 1.18 H new ATOM 0 HD2 LYS B 32 156.451 16.030 10.428 1.00 1.36 H new ATOM 0 HD3 LYS B 32 157.121 14.740 11.406 1.00 1.36 H new ATOM 0 HE2 LYS B 32 157.916 15.463 8.543 1.00 2.07 H new ATOM 0 HE3 LYS B 32 158.905 15.635 9.980 1.00 2.07 H new ATOM 0 HZ1 LYS B 32 159.550 13.638 8.873 1.00 2.75 H new ATOM 0 HZ2 LYS B 32 158.716 13.173 10.277 1.00 2.75 H new ATOM 0 HZ3 LYS B 32 157.947 13.088 8.766 1.00 2.75 H new ATOM 1881 N LYS B 33 153.523 14.528 5.879 1.00 0.35 N ATOM 1882 CA LYS B 33 152.716 15.258 4.862 1.00 0.36 C ATOM 1883 C LYS B 33 151.359 14.570 4.708 1.00 0.34 C ATOM 1884 O LYS B 33 150.324 15.203 4.756 1.00 0.36 O ATOM 1885 CB LYS B 33 153.452 15.229 3.518 1.00 0.36 C ATOM 1886 CG LYS B 33 154.800 15.956 3.628 1.00 0.39 C ATOM 1887 CD LYS B 33 154.594 17.477 3.623 1.00 0.64 C ATOM 1888 CE LYS B 33 155.944 18.174 3.448 1.00 0.66 C ATOM 1889 NZ LYS B 33 155.726 19.638 3.273 1.00 1.56 N ATOM 0 H LYS B 33 154.362 14.069 5.526 1.00 0.35 H new ATOM 0 HA LYS B 33 152.571 16.291 5.179 1.00 0.36 H new ATOM 0 HB2 LYS B 33 153.613 14.197 3.207 1.00 0.36 H new ATOM 0 HB3 LYS B 33 152.839 15.701 2.750 1.00 0.36 H new ATOM 0 HG2 LYS B 33 155.308 15.655 4.544 1.00 0.39 H new ATOM 0 HG3 LYS B 33 155.444 15.668 2.797 1.00 0.39 H new ATOM 0 HD2 LYS B 33 153.919 17.761 2.816 1.00 0.64 H new ATOM 0 HD3 LYS B 33 154.127 17.794 4.555 1.00 0.64 H new ATOM 0 HE2 LYS B 33 156.576 17.991 4.317 1.00 0.66 H new ATOM 0 HE3 LYS B 33 156.466 17.767 2.582 1.00 0.66 H new ATOM 0 HZ1 LYS B 33 156.643 20.114 3.154 1.00 1.56 H new ATOM 0 HZ2 LYS B 33 155.138 19.803 2.431 1.00 1.56 H new ATOM 0 HZ3 LYS B 33 155.244 20.020 4.112 1.00 1.56 H new ATOM 1903 N LEU B 34 151.354 13.279 4.546 1.00 0.32 N ATOM 1904 CA LEU B 34 150.061 12.553 4.417 1.00 0.31 C ATOM 1905 C LEU B 34 149.250 12.768 5.700 1.00 0.31 C ATOM 1906 O LEU B 34 148.046 12.926 5.676 1.00 0.32 O ATOM 1907 CB LEU B 34 150.333 11.062 4.194 1.00 0.28 C ATOM 1908 CG LEU B 34 151.118 10.867 2.888 1.00 0.29 C ATOM 1909 CD1 LEU B 34 151.601 9.417 2.803 1.00 0.29 C ATOM 1910 CD2 LEU B 34 150.222 11.179 1.672 1.00 0.33 C ATOM 0 H LEU B 34 152.188 12.694 4.497 1.00 0.32 H new ATOM 0 HA LEU B 34 149.495 12.931 3.566 1.00 0.31 H new ATOM 0 HB2 LEU B 34 150.898 10.656 5.033 1.00 0.28 H new ATOM 0 HB3 LEU B 34 149.392 10.514 4.149 1.00 0.28 H new ATOM 0 HG LEU B 34 151.971 11.546 2.881 1.00 0.29 H new ATOM 0 HD11 LEU B 34 152.159 9.273 1.878 1.00 0.29 H new ATOM 0 HD12 LEU B 34 152.246 9.198 3.654 1.00 0.29 H new ATOM 0 HD13 LEU B 34 150.742 8.746 2.817 1.00 0.29 H new ATOM 0 HD21 LEU B 34 150.792 11.036 0.754 1.00 0.33 H new ATOM 0 HD22 LEU B 34 149.362 10.510 1.673 1.00 0.33 H new ATOM 0 HD23 LEU B 34 149.878 12.212 1.729 1.00 0.33 H new ATOM 1922 N GLU B 35 149.918 12.768 6.819 1.00 0.31 N ATOM 1923 CA GLU B 35 149.197 12.968 8.111 1.00 0.34 C ATOM 1924 C GLU B 35 148.498 14.329 8.077 1.00 0.37 C ATOM 1925 O GLU B 35 147.373 14.472 8.513 1.00 0.39 O ATOM 1926 CB GLU B 35 150.198 12.926 9.269 1.00 0.35 C ATOM 1927 CG GLU B 35 149.469 13.130 10.601 1.00 0.92 C ATOM 1928 CD GLU B 35 150.481 13.074 11.747 1.00 1.02 C ATOM 1929 OE1 GLU B 35 151.641 12.809 11.474 1.00 1.35 O ATOM 1930 OE2 GLU B 35 150.081 13.301 12.876 1.00 1.68 O ATOM 0 H GLU B 35 150.927 12.639 6.897 1.00 0.31 H new ATOM 0 HA GLU B 35 148.459 12.178 8.253 1.00 0.34 H new ATOM 0 HB2 GLU B 35 150.721 11.969 9.274 1.00 0.35 H new ATOM 0 HB3 GLU B 35 150.953 13.701 9.136 1.00 0.35 H new ATOM 0 HG2 GLU B 35 148.953 14.090 10.603 1.00 0.92 H new ATOM 0 HG3 GLU B 35 148.709 12.360 10.734 1.00 0.92 H new ATOM 1937 N GLU B 36 149.148 15.322 7.539 1.00 0.39 N ATOM 1938 CA GLU B 36 148.515 16.665 7.448 1.00 0.44 C ATOM 1939 C GLU B 36 147.355 16.587 6.458 1.00 0.45 C ATOM 1940 O GLU B 36 146.481 17.432 6.432 1.00 0.49 O ATOM 1941 CB GLU B 36 149.534 17.702 6.961 1.00 0.46 C ATOM 1942 CG GLU B 36 150.577 17.953 8.051 1.00 1.11 C ATOM 1943 CD GLU B 36 151.584 18.996 7.563 1.00 1.38 C ATOM 1944 OE1 GLU B 36 151.465 19.419 6.425 1.00 1.99 O ATOM 1945 OE2 GLU B 36 152.452 19.363 8.339 1.00 1.85 O ATOM 0 H GLU B 36 150.092 15.261 7.158 1.00 0.39 H new ATOM 0 HA GLU B 36 148.156 16.967 8.432 1.00 0.44 H new ATOM 0 HB2 GLU B 36 150.022 17.348 6.053 1.00 0.46 H new ATOM 0 HB3 GLU B 36 149.027 18.633 6.708 1.00 0.46 H new ATOM 0 HG2 GLU B 36 150.090 18.301 8.962 1.00 1.11 H new ATOM 0 HG3 GLU B 36 151.091 17.024 8.299 1.00 1.11 H new ATOM 1952 N ARG B 37 147.357 15.578 5.628 1.00 0.42 N ATOM 1953 CA ARG B 37 146.270 15.435 4.616 1.00 0.45 C ATOM 1954 C ARG B 37 145.126 14.585 5.185 1.00 0.42 C ATOM 1955 O ARG B 37 144.141 14.341 4.516 1.00 0.43 O ATOM 1956 CB ARG B 37 146.833 14.765 3.354 1.00 0.45 C ATOM 1957 CG ARG B 37 147.803 15.715 2.624 1.00 0.52 C ATOM 1958 CD ARG B 37 147.026 16.688 1.725 1.00 0.86 C ATOM 1959 NE ARG B 37 146.259 15.915 0.710 1.00 1.42 N ATOM 1960 CZ ARG B 37 145.291 16.487 0.047 1.00 1.87 C ATOM 1961 NH1 ARG B 37 145.001 17.740 0.268 1.00 2.15 N ATOM 1962 NH2 ARG B 37 144.614 15.806 -0.835 1.00 2.68 N ATOM 0 H ARG B 37 148.066 14.845 5.607 1.00 0.42 H new ATOM 0 HA ARG B 37 145.884 16.423 4.365 1.00 0.45 H new ATOM 0 HB2 ARG B 37 147.351 13.845 3.624 1.00 0.45 H new ATOM 0 HB3 ARG B 37 146.016 14.487 2.688 1.00 0.45 H new ATOM 0 HG2 ARG B 37 148.391 16.274 3.352 1.00 0.52 H new ATOM 0 HG3 ARG B 37 148.505 15.137 2.023 1.00 0.52 H new ATOM 0 HD2 ARG B 37 146.348 17.294 2.326 1.00 0.86 H new ATOM 0 HD3 ARG B 37 147.715 17.374 1.232 1.00 0.86 H new ATOM 0 HE ARG B 37 146.490 14.938 0.532 1.00 1.42 H new ATOM 0 HH11 ARG B 37 145.531 18.272 0.959 1.00 2.15 H new ATOM 0 HH12 ARG B 37 144.245 18.187 -0.250 1.00 2.15 H new ATOM 0 HH21 ARG B 37 144.841 14.826 -1.007 1.00 2.68 H new ATOM 0 HH22 ARG B 37 143.858 16.253 -1.353 1.00 2.68 H new ATOM 1976 N GLY B 38 145.224 14.165 6.427 1.00 0.41 N ATOM 1977 CA GLY B 38 144.110 13.371 7.049 1.00 0.39 C ATOM 1978 C GLY B 38 144.422 11.869 7.094 1.00 0.37 C ATOM 1979 O GLY B 38 143.574 11.081 7.462 1.00 0.49 O ATOM 0 H GLY B 38 146.024 14.337 7.036 1.00 0.41 H new ATOM 0 HA2 GLY B 38 143.930 13.733 8.061 1.00 0.39 H new ATOM 0 HA3 GLY B 38 143.192 13.533 6.484 1.00 0.39 H new ATOM 1983 N PHE B 39 145.615 11.453 6.744 1.00 0.31 N ATOM 1984 CA PHE B 39 145.950 9.988 6.792 1.00 0.28 C ATOM 1985 C PHE B 39 146.873 9.718 7.985 1.00 0.28 C ATOM 1986 O PHE B 39 148.071 9.579 7.837 1.00 0.28 O ATOM 1987 CB PHE B 39 146.680 9.598 5.511 1.00 0.27 C ATOM 1988 CG PHE B 39 145.803 9.896 4.320 1.00 0.28 C ATOM 1989 CD1 PHE B 39 145.663 11.213 3.878 1.00 0.31 C ATOM 1990 CD2 PHE B 39 145.137 8.859 3.658 1.00 0.27 C ATOM 1991 CE1 PHE B 39 144.853 11.499 2.772 1.00 0.33 C ATOM 1992 CE2 PHE B 39 144.327 9.141 2.552 1.00 0.30 C ATOM 1993 CZ PHE B 39 144.184 10.462 2.109 1.00 0.32 C ATOM 0 H PHE B 39 146.372 12.060 6.428 1.00 0.31 H new ATOM 0 HA PHE B 39 145.032 9.408 6.892 1.00 0.28 H new ATOM 0 HB2 PHE B 39 147.617 10.149 5.432 1.00 0.27 H new ATOM 0 HB3 PHE B 39 146.934 8.538 5.533 1.00 0.27 H new ATOM 0 HD1 PHE B 39 146.180 12.012 4.389 1.00 0.31 H new ATOM 0 HD2 PHE B 39 145.248 7.841 4.000 1.00 0.27 H new ATOM 0 HE1 PHE B 39 144.744 12.518 2.431 1.00 0.33 H new ATOM 0 HE2 PHE B 39 143.813 8.341 2.041 1.00 0.30 H new ATOM 0 HZ PHE B 39 143.558 10.681 1.257 1.00 0.32 H new ATOM 2003 N ASP B 40 146.327 9.682 9.167 1.00 0.30 N ATOM 2004 CA ASP B 40 147.180 9.466 10.372 1.00 0.31 C ATOM 2005 C ASP B 40 147.576 7.991 10.507 1.00 0.29 C ATOM 2006 O ASP B 40 148.398 7.644 11.333 1.00 0.30 O ATOM 2007 CB ASP B 40 146.402 9.900 11.616 1.00 0.35 C ATOM 2008 CG ASP B 40 145.211 8.962 11.826 1.00 0.37 C ATOM 2009 OD1 ASP B 40 144.851 8.274 10.884 1.00 0.36 O ATOM 2010 OD2 ASP B 40 144.677 8.951 12.922 1.00 0.41 O ATOM 0 H ASP B 40 145.330 9.792 9.353 1.00 0.30 H new ATOM 0 HA ASP B 40 148.090 10.057 10.268 1.00 0.31 H new ATOM 0 HB2 ASP B 40 147.053 9.880 12.490 1.00 0.35 H new ATOM 0 HB3 ASP B 40 146.054 10.927 11.501 1.00 0.35 H new ATOM 2015 N LYS B 41 147.013 7.116 9.707 1.00 0.28 N ATOM 2016 CA LYS B 41 147.374 5.660 9.798 1.00 0.28 C ATOM 2017 C LYS B 41 147.576 5.094 8.384 1.00 0.23 C ATOM 2018 O LYS B 41 147.110 5.646 7.407 1.00 0.23 O ATOM 2019 CB LYS B 41 146.258 4.888 10.513 1.00 0.33 C ATOM 2020 CG LYS B 41 146.098 5.379 11.961 1.00 0.47 C ATOM 2021 CD LYS B 41 147.273 4.901 12.829 1.00 0.74 C ATOM 2022 CE LYS B 41 146.903 5.038 14.309 1.00 0.71 C ATOM 2023 NZ LYS B 41 147.997 4.473 15.149 1.00 1.56 N ATOM 0 H LYS B 41 146.319 7.345 8.995 1.00 0.28 H new ATOM 0 HA LYS B 41 148.298 5.553 10.367 1.00 0.28 H new ATOM 0 HB2 LYS B 41 145.319 5.015 9.975 1.00 0.33 H new ATOM 0 HB3 LYS B 41 146.486 3.822 10.508 1.00 0.33 H new ATOM 0 HG2 LYS B 41 146.046 6.468 11.978 1.00 0.47 H new ATOM 0 HG3 LYS B 41 145.160 5.009 12.374 1.00 0.47 H new ATOM 0 HD2 LYS B 41 147.512 3.863 12.597 1.00 0.74 H new ATOM 0 HD3 LYS B 41 148.164 5.489 12.610 1.00 0.74 H new ATOM 0 HE2 LYS B 41 146.743 6.087 14.559 1.00 0.71 H new ATOM 0 HE3 LYS B 41 145.968 4.515 14.511 1.00 0.71 H new ATOM 0 HZ1 LYS B 41 147.642 4.299 16.111 1.00 1.56 H new ATOM 0 HZ2 LYS B 41 148.326 3.578 14.734 1.00 1.56 H new ATOM 0 HZ3 LYS B 41 148.788 5.147 15.189 1.00 1.56 H new ATOM 2037 N ALA B 42 148.297 4.008 8.276 1.00 0.21 N ATOM 2038 CA ALA B 42 148.577 3.399 6.935 1.00 0.20 C ATOM 2039 C ALA B 42 147.304 2.868 6.263 1.00 0.18 C ATOM 2040 O ALA B 42 147.126 3.010 5.071 1.00 0.18 O ATOM 2041 CB ALA B 42 149.563 2.241 7.111 1.00 0.21 C ATOM 0 H ALA B 42 148.709 3.510 9.065 1.00 0.21 H new ATOM 0 HA ALA B 42 148.994 4.178 6.296 1.00 0.20 H new ATOM 0 HB1 ALA B 42 149.773 1.791 6.141 1.00 0.21 H new ATOM 0 HB2 ALA B 42 150.490 2.615 7.546 1.00 0.21 H new ATOM 0 HB3 ALA B 42 149.129 1.491 7.772 1.00 0.21 H new ATOM 2047 N TYR B 43 146.442 2.218 6.991 1.00 0.18 N ATOM 2048 CA TYR B 43 145.222 1.642 6.350 1.00 0.18 C ATOM 2049 C TYR B 43 144.400 2.740 5.659 1.00 0.17 C ATOM 2050 O TYR B 43 143.574 2.461 4.811 1.00 0.17 O ATOM 2051 CB TYR B 43 144.377 0.894 7.388 1.00 0.20 C ATOM 2052 CG TYR B 43 143.550 1.851 8.210 1.00 0.21 C ATOM 2053 CD1 TYR B 43 144.074 2.419 9.375 1.00 0.24 C ATOM 2054 CD2 TYR B 43 142.247 2.153 7.805 1.00 0.21 C ATOM 2055 CE1 TYR B 43 143.290 3.296 10.135 1.00 0.28 C ATOM 2056 CE2 TYR B 43 141.464 3.025 8.560 1.00 0.25 C ATOM 2057 CZ TYR B 43 141.984 3.600 9.728 1.00 0.27 C ATOM 2058 OH TYR B 43 141.211 4.464 10.477 1.00 0.32 O ATOM 0 H TYR B 43 146.525 2.060 7.995 1.00 0.18 H new ATOM 0 HA TYR B 43 145.535 0.930 5.587 1.00 0.18 H new ATOM 0 HB2 TYR B 43 143.722 0.184 6.884 1.00 0.20 H new ATOM 0 HB3 TYR B 43 145.029 0.317 8.044 1.00 0.20 H new ATOM 0 HD1 TYR B 43 145.080 2.182 9.688 1.00 0.24 H new ATOM 0 HD2 TYR B 43 141.846 1.710 6.905 1.00 0.21 H new ATOM 0 HE1 TYR B 43 143.692 3.738 11.035 1.00 0.28 H new ATOM 0 HE2 TYR B 43 140.457 3.257 8.245 1.00 0.25 H new ATOM 0 HH TYR B 43 141.790 5.114 10.928 1.00 0.32 H new ATOM 2068 N VAL B 44 144.630 3.980 5.987 1.00 0.18 N ATOM 2069 CA VAL B 44 143.869 5.078 5.314 1.00 0.18 C ATOM 2070 C VAL B 44 144.520 5.344 3.955 1.00 0.17 C ATOM 2071 O VAL B 44 143.882 5.729 2.993 1.00 0.17 O ATOM 2072 CB VAL B 44 143.908 6.341 6.176 1.00 0.20 C ATOM 2073 CG1 VAL B 44 142.868 7.345 5.672 1.00 0.21 C ATOM 2074 CG2 VAL B 44 143.585 5.970 7.623 1.00 0.24 C ATOM 0 H VAL B 44 145.307 4.283 6.687 1.00 0.18 H new ATOM 0 HA VAL B 44 142.827 4.790 5.178 1.00 0.18 H new ATOM 0 HB VAL B 44 144.900 6.788 6.117 1.00 0.20 H new ATOM 0 HG11 VAL B 44 142.900 8.243 6.289 1.00 0.21 H new ATOM 0 HG12 VAL B 44 143.088 7.608 4.637 1.00 0.21 H new ATOM 0 HG13 VAL B 44 141.875 6.900 5.730 1.00 0.21 H new ATOM 0 HG21 VAL B 44 143.611 6.866 8.243 1.00 0.24 H new ATOM 0 HG22 VAL B 44 142.591 5.524 7.671 1.00 0.24 H new ATOM 0 HG23 VAL B 44 144.322 5.255 7.988 1.00 0.24 H new ATOM 2084 N VAL B 45 145.804 5.111 3.887 1.00 0.17 N ATOM 2085 CA VAL B 45 146.555 5.313 2.615 1.00 0.17 C ATOM 2086 C VAL B 45 146.231 4.144 1.687 1.00 0.15 C ATOM 2087 O VAL B 45 146.036 4.318 0.499 1.00 0.15 O ATOM 2088 CB VAL B 45 148.059 5.357 2.904 1.00 0.18 C ATOM 2089 CG1 VAL B 45 148.844 5.291 1.590 1.00 0.22 C ATOM 2090 CG2 VAL B 45 148.400 6.661 3.633 1.00 0.20 C ATOM 0 H VAL B 45 146.371 4.785 4.670 1.00 0.17 H new ATOM 0 HA VAL B 45 146.268 6.254 2.146 1.00 0.17 H new ATOM 0 HB VAL B 45 148.329 4.505 3.528 1.00 0.18 H new ATOM 0 HG11 VAL B 45 149.913 5.323 1.803 1.00 0.22 H new ATOM 0 HG12 VAL B 45 148.605 4.364 1.070 1.00 0.22 H new ATOM 0 HG13 VAL B 45 148.574 6.140 0.962 1.00 0.22 H new ATOM 0 HG21 VAL B 45 149.470 6.694 3.839 1.00 0.20 H new ATOM 0 HG22 VAL B 45 148.125 7.510 3.007 1.00 0.20 H new ATOM 0 HG23 VAL B 45 147.848 6.708 4.572 1.00 0.20 H new ATOM 2100 N LEU B 46 146.129 2.961 2.224 1.00 0.17 N ATOM 2101 CA LEU B 46 145.769 1.793 1.377 1.00 0.17 C ATOM 2102 C LEU B 46 144.401 2.082 0.765 1.00 0.17 C ATOM 2103 O LEU B 46 144.142 1.797 -0.388 1.00 0.17 O ATOM 2104 CB LEU B 46 145.697 0.526 2.244 1.00 0.22 C ATOM 2105 CG LEU B 46 145.286 -0.691 1.389 1.00 0.25 C ATOM 2106 CD1 LEU B 46 146.372 -1.008 0.349 1.00 0.40 C ATOM 2107 CD2 LEU B 46 145.057 -1.918 2.291 1.00 0.35 C ATOM 0 H LEU B 46 146.279 2.753 3.211 1.00 0.17 H new ATOM 0 HA LEU B 46 146.514 1.633 0.598 1.00 0.17 H new ATOM 0 HB2 LEU B 46 146.665 0.341 2.709 1.00 0.22 H new ATOM 0 HB3 LEU B 46 144.978 0.671 3.051 1.00 0.22 H new ATOM 0 HG LEU B 46 144.359 -0.450 0.868 1.00 0.25 H new ATOM 0 HD11 LEU B 46 146.066 -1.869 -0.245 1.00 0.40 H new ATOM 0 HD12 LEU B 46 146.512 -0.147 -0.305 1.00 0.40 H new ATOM 0 HD13 LEU B 46 147.309 -1.233 0.858 1.00 0.40 H new ATOM 0 HD21 LEU B 46 144.767 -2.771 1.678 1.00 0.35 H new ATOM 0 HD22 LEU B 46 145.977 -2.152 2.827 1.00 0.35 H new ATOM 0 HD23 LEU B 46 144.265 -1.700 3.007 1.00 0.35 H new ATOM 2119 N GLY B 47 143.527 2.658 1.542 1.00 0.17 N ATOM 2120 CA GLY B 47 142.170 2.987 1.036 1.00 0.18 C ATOM 2121 C GLY B 47 142.298 3.815 -0.242 1.00 0.17 C ATOM 2122 O GLY B 47 141.616 3.575 -1.218 1.00 0.18 O ATOM 0 H GLY B 47 143.698 2.916 2.514 1.00 0.17 H new ATOM 0 HA2 GLY B 47 141.611 2.072 0.837 1.00 0.18 H new ATOM 0 HA3 GLY B 47 141.613 3.543 1.790 1.00 0.18 H new ATOM 2126 N GLN B 48 143.182 4.778 -0.255 1.00 0.17 N ATOM 2127 CA GLN B 48 143.362 5.606 -1.482 1.00 0.18 C ATOM 2128 C GLN B 48 143.775 4.692 -2.637 1.00 0.17 C ATOM 2129 O GLN B 48 143.264 4.786 -3.733 1.00 0.18 O ATOM 2130 CB GLN B 48 144.459 6.647 -1.229 1.00 0.18 C ATOM 2131 CG GLN B 48 144.615 7.559 -2.450 1.00 0.22 C ATOM 2132 CD GLN B 48 143.347 8.394 -2.632 1.00 0.28 C ATOM 2133 OE1 GLN B 48 143.037 9.234 -1.811 1.00 0.97 O ATOM 2134 NE2 GLN B 48 142.596 8.196 -3.679 1.00 1.09 N ATOM 0 H GLN B 48 143.785 5.026 0.529 1.00 0.17 H new ATOM 0 HA GLN B 48 142.432 6.116 -1.732 1.00 0.18 H new ATOM 0 HB2 GLN B 48 144.210 7.242 -0.351 1.00 0.18 H new ATOM 0 HB3 GLN B 48 145.404 6.146 -1.017 1.00 0.18 H new ATOM 0 HG2 GLN B 48 145.478 8.213 -2.320 1.00 0.22 H new ATOM 0 HG3 GLN B 48 144.800 6.961 -3.342 1.00 0.22 H new ATOM 0 HE21 GLN B 48 142.857 7.490 -4.368 1.00 1.09 H new ATOM 0 HE22 GLN B 48 141.747 8.747 -3.809 1.00 1.09 H new ATOM 2143 N PHE B 49 144.690 3.796 -2.393 1.00 0.17 N ATOM 2144 CA PHE B 49 145.134 2.863 -3.467 1.00 0.17 C ATOM 2145 C PHE B 49 143.933 2.049 -3.947 1.00 0.18 C ATOM 2146 O PHE B 49 143.752 1.816 -5.125 1.00 0.19 O ATOM 2147 CB PHE B 49 146.210 1.937 -2.889 1.00 0.18 C ATOM 2148 CG PHE B 49 146.625 0.915 -3.920 1.00 0.20 C ATOM 2149 CD1 PHE B 49 147.458 1.289 -4.979 1.00 0.24 C ATOM 2150 CD2 PHE B 49 146.186 -0.410 -3.808 1.00 0.27 C ATOM 2151 CE1 PHE B 49 147.849 0.339 -5.929 1.00 0.27 C ATOM 2152 CE2 PHE B 49 146.577 -1.359 -4.757 1.00 0.31 C ATOM 2153 CZ PHE B 49 147.408 -0.985 -5.818 1.00 0.27 C ATOM 0 H PHE B 49 145.152 3.669 -1.492 1.00 0.17 H new ATOM 0 HA PHE B 49 145.546 3.414 -4.312 1.00 0.17 H new ATOM 0 HB2 PHE B 49 147.075 2.522 -2.577 1.00 0.18 H new ATOM 0 HB3 PHE B 49 145.829 1.434 -2.000 1.00 0.18 H new ATOM 0 HD1 PHE B 49 147.799 2.310 -5.064 1.00 0.24 H new ATOM 0 HD2 PHE B 49 145.545 -0.699 -2.988 1.00 0.27 H new ATOM 0 HE1 PHE B 49 148.491 0.627 -6.748 1.00 0.27 H new ATOM 0 HE2 PHE B 49 146.238 -2.381 -4.671 1.00 0.31 H new ATOM 0 HZ PHE B 49 147.710 -1.718 -6.552 1.00 0.27 H new ATOM 2163 N LEU B 50 143.119 1.623 -3.039 1.00 0.18 N ATOM 2164 CA LEU B 50 141.925 0.827 -3.429 1.00 0.20 C ATOM 2165 C LEU B 50 140.922 1.742 -4.155 1.00 0.21 C ATOM 2166 O LEU B 50 140.291 1.346 -5.114 1.00 0.23 O ATOM 2167 CB LEU B 50 141.308 0.213 -2.171 1.00 0.22 C ATOM 2168 CG LEU B 50 142.331 -0.741 -1.525 1.00 0.23 C ATOM 2169 CD1 LEU B 50 141.877 -1.097 -0.108 1.00 0.27 C ATOM 2170 CD2 LEU B 50 142.473 -2.029 -2.358 1.00 0.27 C ATOM 0 H LEU B 50 143.224 1.789 -2.038 1.00 0.18 H new ATOM 0 HA LEU B 50 142.204 0.021 -4.108 1.00 0.20 H new ATOM 0 HB2 LEU B 50 141.028 0.997 -1.468 1.00 0.22 H new ATOM 0 HB3 LEU B 50 140.396 -0.328 -2.424 1.00 0.22 H new ATOM 0 HG LEU B 50 143.298 -0.240 -1.487 1.00 0.23 H new ATOM 0 HD11 LEU B 50 142.602 -1.772 0.347 1.00 0.27 H new ATOM 0 HD12 LEU B 50 141.802 -0.188 0.489 1.00 0.27 H new ATOM 0 HD13 LEU B 50 140.903 -1.585 -0.150 1.00 0.27 H new ATOM 0 HD21 LEU B 50 143.200 -2.690 -1.885 1.00 0.27 H new ATOM 0 HD22 LEU B 50 141.508 -2.533 -2.416 1.00 0.27 H new ATOM 0 HD23 LEU B 50 142.812 -1.777 -3.363 1.00 0.27 H new ATOM 2182 N VAL B 51 140.762 2.954 -3.694 1.00 0.21 N ATOM 2183 CA VAL B 51 139.789 3.890 -4.344 1.00 0.23 C ATOM 2184 C VAL B 51 140.261 4.262 -5.761 1.00 0.23 C ATOM 2185 O VAL B 51 139.481 4.699 -6.585 1.00 0.25 O ATOM 2186 CB VAL B 51 139.651 5.163 -3.491 1.00 0.25 C ATOM 2187 CG1 VAL B 51 138.932 6.261 -4.286 1.00 0.28 C ATOM 2188 CG2 VAL B 51 138.839 4.850 -2.231 1.00 0.27 C ATOM 0 H VAL B 51 141.263 3.340 -2.894 1.00 0.21 H new ATOM 0 HA VAL B 51 138.822 3.394 -4.419 1.00 0.23 H new ATOM 0 HB VAL B 51 140.648 5.510 -3.217 1.00 0.25 H new ATOM 0 HG11 VAL B 51 138.841 7.156 -3.670 1.00 0.28 H new ATOM 0 HG12 VAL B 51 139.505 6.495 -5.184 1.00 0.28 H new ATOM 0 HG13 VAL B 51 137.939 5.914 -4.570 1.00 0.28 H new ATOM 0 HG21 VAL B 51 138.742 5.752 -1.627 1.00 0.27 H new ATOM 0 HG22 VAL B 51 137.848 4.495 -2.515 1.00 0.27 H new ATOM 0 HG23 VAL B 51 139.348 4.079 -1.652 1.00 0.27 H new ATOM 2198 N LEU B 52 141.526 4.104 -6.049 1.00 0.22 N ATOM 2199 CA LEU B 52 142.033 4.465 -7.416 1.00 0.23 C ATOM 2200 C LEU B 52 141.996 3.237 -8.326 1.00 0.23 C ATOM 2201 O LEU B 52 142.632 3.204 -9.360 1.00 0.24 O ATOM 2202 CB LEU B 52 143.463 5.010 -7.325 1.00 0.24 C ATOM 2203 CG LEU B 52 143.475 6.350 -6.564 1.00 0.25 C ATOM 2204 CD1 LEU B 52 144.919 6.845 -6.451 1.00 0.30 C ATOM 2205 CD2 LEU B 52 142.624 7.405 -7.306 1.00 0.27 C ATOM 0 H LEU B 52 142.230 3.743 -5.405 1.00 0.22 H new ATOM 0 HA LEU B 52 141.391 5.239 -7.837 1.00 0.23 H new ATOM 0 HB2 LEU B 52 144.103 4.289 -6.816 1.00 0.24 H new ATOM 0 HB3 LEU B 52 143.872 5.148 -8.326 1.00 0.24 H new ATOM 0 HG LEU B 52 143.051 6.199 -5.571 1.00 0.25 H new ATOM 0 HD11 LEU B 52 144.938 7.793 -5.914 1.00 0.30 H new ATOM 0 HD12 LEU B 52 145.514 6.110 -5.910 1.00 0.30 H new ATOM 0 HD13 LEU B 52 145.335 6.985 -7.449 1.00 0.30 H new ATOM 0 HD21 LEU B 52 142.645 8.344 -6.753 1.00 0.27 H new ATOM 0 HD22 LEU B 52 143.030 7.563 -8.305 1.00 0.27 H new ATOM 0 HD23 LEU B 52 141.595 7.053 -7.384 1.00 0.27 H new ATOM 2217 N LYS B 53 141.251 2.231 -7.965 1.00 0.23 N ATOM 2218 CA LYS B 53 141.167 1.021 -8.823 1.00 0.24 C ATOM 2219 C LYS B 53 142.570 0.508 -9.149 1.00 0.24 C ATOM 2220 O LYS B 53 142.808 -0.034 -10.209 1.00 0.30 O ATOM 2221 CB LYS B 53 140.425 1.367 -10.114 1.00 0.29 C ATOM 2222 CG LYS B 53 139.013 1.848 -9.761 1.00 0.39 C ATOM 2223 CD LYS B 53 138.141 1.902 -11.019 1.00 0.48 C ATOM 2224 CE LYS B 53 138.602 3.036 -11.937 1.00 0.92 C ATOM 2225 NZ LYS B 53 138.728 4.302 -11.162 1.00 1.71 N ATOM 0 H LYS B 53 140.696 2.196 -7.110 1.00 0.23 H new ATOM 0 HA LYS B 53 140.625 0.239 -8.291 1.00 0.24 H new ATOM 0 HB2 LYS B 53 140.962 2.142 -10.661 1.00 0.29 H new ATOM 0 HB3 LYS B 53 140.374 0.494 -10.765 1.00 0.29 H new ATOM 0 HG2 LYS B 53 138.565 1.177 -9.028 1.00 0.39 H new ATOM 0 HG3 LYS B 53 139.062 2.835 -9.301 1.00 0.39 H new ATOM 0 HD2 LYS B 53 138.196 0.951 -11.549 1.00 0.48 H new ATOM 0 HD3 LYS B 53 137.098 2.052 -10.740 1.00 0.48 H new ATOM 0 HE2 LYS B 53 139.560 2.781 -12.390 1.00 0.92 H new ATOM 0 HE3 LYS B 53 137.889 3.168 -12.751 1.00 0.92 H new ATOM 0 HZ1 LYS B 53 138.586 5.113 -11.797 1.00 1.71 H new ATOM 0 HZ2 LYS B 53 138.010 4.321 -10.410 1.00 1.71 H new ATOM 0 HZ3 LYS B 53 139.676 4.356 -10.737 1.00 1.71 H new ATOM 2239 N LYS B 54 143.503 0.675 -8.238 1.00 0.23 N ATOM 2240 CA LYS B 54 144.904 0.199 -8.457 1.00 0.26 C ATOM 2241 C LYS B 54 145.500 0.887 -9.687 1.00 0.28 C ATOM 2242 O LYS B 54 146.473 0.422 -10.247 1.00 0.34 O ATOM 2243 CB LYS B 54 144.915 -1.322 -8.672 1.00 0.36 C ATOM 2244 CG LYS B 54 144.216 -2.019 -7.495 1.00 0.67 C ATOM 2245 CD LYS B 54 143.877 -3.469 -7.867 1.00 0.83 C ATOM 2246 CE LYS B 54 145.158 -4.305 -7.919 1.00 1.41 C ATOM 2247 NZ LYS B 54 144.803 -5.742 -8.089 1.00 2.25 N ATOM 0 H LYS B 54 143.347 1.129 -7.338 1.00 0.23 H new ATOM 0 HA LYS B 54 145.500 0.444 -7.578 1.00 0.26 H new ATOM 0 HB2 LYS B 54 144.410 -1.570 -9.605 1.00 0.36 H new ATOM 0 HB3 LYS B 54 145.941 -1.679 -8.760 1.00 0.36 H new ATOM 0 HG2 LYS B 54 144.861 -2.002 -6.617 1.00 0.67 H new ATOM 0 HG3 LYS B 54 143.306 -1.480 -7.232 1.00 0.67 H new ATOM 0 HD2 LYS B 54 143.187 -3.890 -7.136 1.00 0.83 H new ATOM 0 HD3 LYS B 54 143.374 -3.498 -8.833 1.00 0.83 H new ATOM 0 HE2 LYS B 54 145.788 -3.974 -8.745 1.00 1.41 H new ATOM 0 HE3 LYS B 54 145.733 -4.167 -7.004 1.00 1.41 H new ATOM 0 HZ1 LYS B 54 145.672 -6.312 -8.125 1.00 2.25 H new ATOM 0 HZ2 LYS B 54 144.218 -6.052 -7.287 1.00 2.25 H new ATOM 0 HZ3 LYS B 54 144.271 -5.866 -8.974 1.00 2.25 H new ATOM 2261 N ASP B 55 144.957 1.995 -10.103 1.00 0.30 N ATOM 2262 CA ASP B 55 145.545 2.691 -11.281 1.00 0.39 C ATOM 2263 C ASP B 55 146.924 3.228 -10.877 1.00 0.38 C ATOM 2264 O ASP B 55 147.043 4.107 -10.045 1.00 0.37 O ATOM 2265 CB ASP B 55 144.624 3.839 -11.694 1.00 0.47 C ATOM 2266 CG ASP B 55 143.407 3.276 -12.431 1.00 1.18 C ATOM 2267 OD1 ASP B 55 143.577 2.325 -13.176 1.00 1.80 O ATOM 2268 OD2 ASP B 55 142.324 3.803 -12.235 1.00 1.54 O ATOM 0 H ASP B 55 144.142 2.445 -9.686 1.00 0.30 H new ATOM 0 HA ASP B 55 145.651 2.009 -12.125 1.00 0.39 H new ATOM 0 HB2 ASP B 55 144.304 4.397 -10.814 1.00 0.47 H new ATOM 0 HB3 ASP B 55 145.161 4.537 -12.336 1.00 0.47 H new ATOM 2273 N GLU B 56 147.966 2.670 -11.432 1.00 0.39 N ATOM 2274 CA GLU B 56 149.356 3.090 -11.069 1.00 0.38 C ATOM 2275 C GLU B 56 149.647 4.554 -11.437 1.00 0.38 C ATOM 2276 O GLU B 56 150.286 5.265 -10.689 1.00 0.38 O ATOM 2277 CB GLU B 56 150.345 2.176 -11.799 1.00 0.40 C ATOM 2278 CG GLU B 56 151.784 2.543 -11.420 1.00 0.41 C ATOM 2279 CD GLU B 56 152.750 1.579 -12.112 1.00 0.63 C ATOM 2280 OE1 GLU B 56 152.275 0.647 -12.741 1.00 0.88 O ATOM 2281 OE2 GLU B 56 153.946 1.786 -11.999 1.00 0.85 O ATOM 0 H GLU B 56 147.915 1.930 -12.132 1.00 0.39 H new ATOM 0 HA GLU B 56 149.462 3.005 -9.987 1.00 0.38 H new ATOM 0 HB2 GLU B 56 150.148 1.135 -11.542 1.00 0.40 H new ATOM 0 HB3 GLU B 56 150.210 2.269 -12.877 1.00 0.40 H new ATOM 0 HG2 GLU B 56 152.000 3.569 -11.718 1.00 0.41 H new ATOM 0 HG3 GLU B 56 151.912 2.491 -10.339 1.00 0.41 H new ATOM 2288 N ASP B 57 149.203 5.017 -12.573 1.00 0.40 N ATOM 2289 CA ASP B 57 149.492 6.435 -12.951 1.00 0.42 C ATOM 2290 C ASP B 57 148.700 7.377 -12.052 1.00 0.41 C ATOM 2291 O ASP B 57 149.194 8.399 -11.618 1.00 0.41 O ATOM 2292 CB ASP B 57 149.102 6.673 -14.411 1.00 0.45 C ATOM 2293 CG ASP B 57 150.071 5.925 -15.329 1.00 0.47 C ATOM 2294 OD1 ASP B 57 151.156 5.598 -14.874 1.00 0.65 O ATOM 2295 OD2 ASP B 57 149.714 5.695 -16.472 1.00 0.74 O ATOM 0 H ASP B 57 148.658 4.484 -13.251 1.00 0.40 H new ATOM 0 HA ASP B 57 150.558 6.627 -12.828 1.00 0.42 H new ATOM 0 HB2 ASP B 57 148.082 6.331 -14.586 1.00 0.45 H new ATOM 0 HB3 ASP B 57 149.123 7.740 -14.635 1.00 0.45 H new ATOM 2300 N LEU B 58 147.488 7.041 -11.757 1.00 0.40 N ATOM 2301 CA LEU B 58 146.692 7.928 -10.870 1.00 0.40 C ATOM 2302 C LEU B 58 147.267 7.852 -9.456 1.00 0.38 C ATOM 2303 O LEU B 58 147.380 8.847 -8.768 1.00 0.38 O ATOM 2304 CB LEU B 58 145.223 7.492 -10.860 1.00 0.41 C ATOM 2305 CG LEU B 58 144.636 7.576 -12.278 1.00 0.47 C ATOM 2306 CD1 LEU B 58 143.184 7.080 -12.256 1.00 0.45 C ATOM 2307 CD2 LEU B 58 144.674 9.032 -12.781 1.00 0.55 C ATOM 0 H LEU B 58 147.012 6.200 -12.085 1.00 0.40 H new ATOM 0 HA LEU B 58 146.743 8.953 -11.238 1.00 0.40 H new ATOM 0 HB2 LEU B 58 145.141 6.472 -10.484 1.00 0.41 H new ATOM 0 HB3 LEU B 58 144.652 8.128 -10.184 1.00 0.41 H new ATOM 0 HG LEU B 58 145.229 6.953 -12.948 1.00 0.47 H new ATOM 0 HD11 LEU B 58 142.764 7.138 -13.260 1.00 0.45 H new ATOM 0 HD12 LEU B 58 143.158 6.046 -11.911 1.00 0.45 H new ATOM 0 HD13 LEU B 58 142.597 7.703 -11.581 1.00 0.45 H new ATOM 0 HD21 LEU B 58 144.256 9.081 -13.786 1.00 0.55 H new ATOM 0 HD22 LEU B 58 144.088 9.663 -12.113 1.00 0.55 H new ATOM 0 HD23 LEU B 58 145.706 9.384 -12.800 1.00 0.55 H new ATOM 2319 N PHE B 59 147.653 6.682 -9.020 1.00 0.37 N ATOM 2320 CA PHE B 59 148.242 6.558 -7.658 1.00 0.35 C ATOM 2321 C PHE B 59 149.557 7.340 -7.580 1.00 0.36 C ATOM 2322 O PHE B 59 149.778 8.111 -6.668 1.00 0.35 O ATOM 2323 CB PHE B 59 148.504 5.086 -7.333 1.00 0.35 C ATOM 2324 CG PHE B 59 149.155 4.983 -5.973 1.00 0.34 C ATOM 2325 CD1 PHE B 59 148.362 4.859 -4.826 1.00 0.35 C ATOM 2326 CD2 PHE B 59 150.550 5.005 -5.860 1.00 0.37 C ATOM 2327 CE1 PHE B 59 148.964 4.758 -3.565 1.00 0.37 C ATOM 2328 CE2 PHE B 59 151.153 4.904 -4.599 1.00 0.38 C ATOM 2329 CZ PHE B 59 150.360 4.781 -3.452 1.00 0.37 C ATOM 0 H PHE B 59 147.586 5.811 -9.547 1.00 0.37 H new ATOM 0 HA PHE B 59 147.537 6.967 -6.934 1.00 0.35 H new ATOM 0 HB2 PHE B 59 147.568 4.527 -7.344 1.00 0.35 H new ATOM 0 HB3 PHE B 59 149.149 4.643 -8.092 1.00 0.35 H new ATOM 0 HD1 PHE B 59 147.286 4.841 -4.913 1.00 0.35 H new ATOM 0 HD2 PHE B 59 151.162 5.100 -6.745 1.00 0.37 H new ATOM 0 HE1 PHE B 59 148.352 4.662 -2.680 1.00 0.37 H new ATOM 0 HE2 PHE B 59 152.229 4.921 -4.512 1.00 0.38 H new ATOM 0 HZ PHE B 59 150.824 4.704 -2.480 1.00 0.37 H new ATOM 2339 N ARG B 60 150.444 7.129 -8.522 1.00 0.38 N ATOM 2340 CA ARG B 60 151.750 7.845 -8.481 1.00 0.39 C ATOM 2341 C ARG B 60 151.536 9.356 -8.560 1.00 0.40 C ATOM 2342 O ARG B 60 152.138 10.111 -7.821 1.00 0.39 O ATOM 2343 CB ARG B 60 152.638 7.394 -9.647 1.00 0.43 C ATOM 2344 CG ARG B 60 153.097 5.949 -9.418 1.00 0.44 C ATOM 2345 CD ARG B 60 154.081 5.541 -10.517 1.00 0.51 C ATOM 2346 NE ARG B 60 153.422 5.646 -11.847 1.00 1.31 N ATOM 2347 CZ ARG B 60 154.147 5.643 -12.933 1.00 1.54 C ATOM 2348 NH1 ARG B 60 155.444 5.524 -12.851 1.00 1.15 N ATOM 2349 NH2 ARG B 60 153.576 5.757 -14.101 1.00 2.64 N ATOM 0 H ARG B 60 150.318 6.495 -9.311 1.00 0.38 H new ATOM 0 HA ARG B 60 152.241 7.605 -7.538 1.00 0.39 H new ATOM 0 HB2 ARG B 60 152.088 7.467 -10.585 1.00 0.43 H new ATOM 0 HB3 ARG B 60 153.503 8.051 -9.733 1.00 0.43 H new ATOM 0 HG2 ARG B 60 153.570 5.858 -8.440 1.00 0.44 H new ATOM 0 HG3 ARG B 60 152.237 5.279 -9.419 1.00 0.44 H new ATOM 0 HD2 ARG B 60 154.962 6.182 -10.486 1.00 0.51 H new ATOM 0 HD3 ARG B 60 154.424 4.520 -10.350 1.00 0.51 H new ATOM 0 HE ARG B 60 152.407 5.720 -11.910 1.00 1.31 H new ATOM 0 HH11 ARG B 60 155.891 5.433 -11.939 1.00 1.15 H new ATOM 0 HH12 ARG B 60 156.011 5.522 -13.699 1.00 1.15 H new ATOM 0 HH21 ARG B 60 152.562 5.849 -14.166 1.00 2.64 H new ATOM 0 HH22 ARG B 60 154.144 5.755 -14.949 1.00 2.64 H new ATOM 2363 N GLU B 61 150.682 9.817 -9.436 1.00 0.42 N ATOM 2364 CA GLU B 61 150.444 11.282 -9.529 1.00 0.44 C ATOM 2365 C GLU B 61 149.807 11.762 -8.228 1.00 0.42 C ATOM 2366 O GLU B 61 150.105 12.831 -7.737 1.00 0.43 O ATOM 2367 CB GLU B 61 149.502 11.578 -10.698 1.00 0.48 C ATOM 2368 CG GLU B 61 150.230 11.313 -12.017 1.00 1.30 C ATOM 2369 CD GLU B 61 149.289 11.609 -13.187 1.00 1.77 C ATOM 2370 OE1 GLU B 61 148.128 11.881 -12.933 1.00 2.38 O ATOM 2371 OE2 GLU B 61 149.748 11.561 -14.316 1.00 2.33 O ATOM 0 H GLU B 61 150.144 9.244 -10.086 1.00 0.42 H new ATOM 0 HA GLU B 61 151.390 11.799 -9.693 1.00 0.44 H new ATOM 0 HB2 GLU B 61 148.612 10.953 -10.629 1.00 0.48 H new ATOM 0 HB3 GLU B 61 149.168 12.615 -10.656 1.00 0.48 H new ATOM 0 HG2 GLU B 61 151.120 11.938 -12.085 1.00 1.30 H new ATOM 0 HG3 GLU B 61 150.564 10.276 -12.058 1.00 1.30 H new ATOM 2378 N TRP B 62 148.934 10.979 -7.665 1.00 0.40 N ATOM 2379 CA TRP B 62 148.281 11.395 -6.394 1.00 0.39 C ATOM 2380 C TRP B 62 149.308 11.520 -5.264 1.00 0.36 C ATOM 2381 O TRP B 62 149.328 12.492 -4.540 1.00 0.36 O ATOM 2382 CB TRP B 62 147.216 10.359 -6.000 1.00 0.38 C ATOM 2383 CG TRP B 62 146.746 10.635 -4.603 1.00 0.36 C ATOM 2384 CD1 TRP B 62 145.784 11.521 -4.256 1.00 0.39 C ATOM 2385 CD2 TRP B 62 147.234 10.052 -3.361 1.00 0.34 C ATOM 2386 NE1 TRP B 62 145.647 11.512 -2.878 1.00 0.37 N ATOM 2387 CE2 TRP B 62 146.520 10.621 -2.282 1.00 0.34 C ATOM 2388 CE3 TRP B 62 148.218 9.088 -3.073 1.00 0.32 C ATOM 2389 CZ2 TRP B 62 146.775 10.247 -0.961 1.00 0.34 C ATOM 2390 CZ3 TRP B 62 148.476 8.711 -1.746 1.00 0.31 C ATOM 2391 CH2 TRP B 62 147.756 9.289 -0.693 1.00 0.32 C ATOM 0 H TRP B 62 148.644 10.071 -8.028 1.00 0.40 H new ATOM 0 HA TRP B 62 147.816 12.369 -6.550 1.00 0.39 H new ATOM 0 HB2 TRP B 62 146.376 10.403 -6.693 1.00 0.38 H new ATOM 0 HB3 TRP B 62 147.630 9.353 -6.064 1.00 0.38 H new ATOM 0 HD1 TRP B 62 145.217 12.134 -4.941 1.00 0.39 H new ATOM 0 HE1 TRP B 62 144.983 12.092 -2.365 1.00 0.37 H new ATOM 0 HE3 TRP B 62 148.778 8.636 -3.878 1.00 0.32 H new ATOM 0 HZ2 TRP B 62 146.218 10.695 -0.152 1.00 0.34 H new ATOM 0 HZ3 TRP B 62 149.234 7.971 -1.536 1.00 0.31 H new ATOM 0 HH2 TRP B 62 147.959 8.994 0.326 1.00 0.32 H new ATOM 2402 N LEU B 63 150.149 10.540 -5.092 1.00 0.34 N ATOM 2403 CA LEU B 63 151.145 10.617 -3.987 1.00 0.32 C ATOM 2404 C LEU B 63 152.179 11.706 -4.289 1.00 0.33 C ATOM 2405 O LEU B 63 152.501 12.518 -3.444 1.00 0.32 O ATOM 2406 CB LEU B 63 151.838 9.255 -3.832 1.00 0.31 C ATOM 2407 CG LEU B 63 152.872 9.301 -2.699 1.00 0.30 C ATOM 2408 CD1 LEU B 63 152.189 9.636 -1.363 1.00 0.30 C ATOM 2409 CD2 LEU B 63 153.557 7.933 -2.596 1.00 0.32 C ATOM 0 H LEU B 63 150.191 9.696 -5.663 1.00 0.34 H new ATOM 0 HA LEU B 63 150.637 10.870 -3.056 1.00 0.32 H new ATOM 0 HB2 LEU B 63 151.096 8.485 -3.623 1.00 0.31 H new ATOM 0 HB3 LEU B 63 152.327 8.981 -4.767 1.00 0.31 H new ATOM 0 HG LEU B 63 153.609 10.074 -2.916 1.00 0.30 H new ATOM 0 HD11 LEU B 63 152.936 9.665 -0.570 1.00 0.30 H new ATOM 0 HD12 LEU B 63 151.701 10.608 -1.437 1.00 0.30 H new ATOM 0 HD13 LEU B 63 151.445 8.873 -1.133 1.00 0.30 H new ATOM 0 HD21 LEU B 63 154.294 7.955 -1.793 1.00 0.32 H new ATOM 0 HD22 LEU B 63 152.811 7.168 -2.383 1.00 0.32 H new ATOM 0 HD23 LEU B 63 154.054 7.703 -3.539 1.00 0.32 H new ATOM 2421 N LYS B 64 152.697 11.736 -5.486 1.00 0.35 N ATOM 2422 CA LYS B 64 153.703 12.780 -5.839 1.00 0.37 C ATOM 2423 C LYS B 64 153.072 14.166 -5.716 1.00 0.38 C ATOM 2424 O LYS B 64 153.638 15.074 -5.142 1.00 0.38 O ATOM 2425 CB LYS B 64 154.197 12.562 -7.273 1.00 0.41 C ATOM 2426 CG LYS B 64 155.231 13.636 -7.631 1.00 0.43 C ATOM 2427 CD LYS B 64 155.863 13.308 -8.986 1.00 0.68 C ATOM 2428 CE LYS B 64 156.751 14.471 -9.438 1.00 1.24 C ATOM 2429 NZ LYS B 64 157.466 14.094 -10.692 1.00 2.10 N ATOM 0 H LYS B 64 152.468 11.083 -6.236 1.00 0.35 H new ATOM 0 HA LYS B 64 154.549 12.708 -5.155 1.00 0.37 H new ATOM 0 HB2 LYS B 64 154.640 11.571 -7.369 1.00 0.41 H new ATOM 0 HB3 LYS B 64 153.358 12.605 -7.968 1.00 0.41 H new ATOM 0 HG2 LYS B 64 154.755 14.616 -7.668 1.00 0.43 H new ATOM 0 HG3 LYS B 64 156.001 13.685 -6.861 1.00 0.43 H new ATOM 0 HD2 LYS B 64 156.454 12.395 -8.911 1.00 0.68 H new ATOM 0 HD3 LYS B 64 155.084 13.124 -9.726 1.00 0.68 H new ATOM 0 HE2 LYS B 64 156.145 15.361 -9.606 1.00 1.24 H new ATOM 0 HE3 LYS B 64 157.470 14.718 -8.657 1.00 1.24 H new ATOM 0 HZ1 LYS B 64 158.069 14.884 -10.999 1.00 2.10 H new ATOM 0 HZ2 LYS B 64 158.056 13.256 -10.517 1.00 2.10 H new ATOM 0 HZ3 LYS B 64 156.772 13.879 -11.436 1.00 2.10 H new ATOM 2443 N ASP B 65 151.901 14.329 -6.263 1.00 0.41 N ATOM 2444 CA ASP B 65 151.214 15.649 -6.196 1.00 0.44 C ATOM 2445 C ASP B 65 150.763 15.929 -4.762 1.00 0.43 C ATOM 2446 O ASP B 65 150.622 17.066 -4.357 1.00 0.45 O ATOM 2447 CB ASP B 65 149.992 15.630 -7.116 1.00 0.48 C ATOM 2448 CG ASP B 65 150.442 15.385 -8.557 1.00 1.17 C ATOM 2449 OD1 ASP B 65 151.450 15.951 -8.947 1.00 1.90 O ATOM 2450 OD2 ASP B 65 149.773 14.634 -9.246 1.00 1.41 O ATOM 0 H ASP B 65 151.386 13.600 -6.757 1.00 0.41 H new ATOM 0 HA ASP B 65 151.905 16.430 -6.514 1.00 0.44 H new ATOM 0 HB2 ASP B 65 149.299 14.849 -6.802 1.00 0.48 H new ATOM 0 HB3 ASP B 65 149.457 16.577 -7.047 1.00 0.48 H new ATOM 2455 N THR B 66 150.495 14.901 -4.003 1.00 0.39 N ATOM 2456 CA THR B 66 150.006 15.104 -2.609 1.00 0.39 C ATOM 2457 C THR B 66 151.156 15.411 -1.643 1.00 0.38 C ATOM 2458 O THR B 66 150.950 16.102 -0.665 1.00 0.40 O ATOM 2459 CB THR B 66 149.264 13.845 -2.145 1.00 0.37 C ATOM 2460 OG1 THR B 66 148.095 13.674 -2.934 1.00 0.37 O ATOM 2461 CG2 THR B 66 148.864 13.990 -0.675 1.00 0.38 C ATOM 0 H THR B 66 150.594 13.927 -4.289 1.00 0.39 H new ATOM 0 HA THR B 66 149.333 15.961 -2.607 1.00 0.39 H new ATOM 0 HB THR B 66 149.917 12.980 -2.257 1.00 0.37 H new ATOM 0 HG1 THR B 66 148.293 13.078 -3.687 1.00 0.37 H new ATOM 0 HG21 THR B 66 148.337 13.092 -0.351 1.00 0.38 H new ATOM 0 HG22 THR B 66 149.758 14.126 -0.066 1.00 0.38 H new ATOM 0 HG23 THR B 66 148.211 14.855 -0.559 1.00 0.38 H new ATOM 2469 N CYS B 67 152.350 14.894 -1.853 1.00 0.36 N ATOM 2470 CA CYS B 67 153.462 15.161 -0.876 1.00 0.37 C ATOM 2471 C CYS B 67 154.758 15.564 -1.582 1.00 0.37 C ATOM 2472 O CYS B 67 155.618 16.193 -0.998 1.00 0.39 O ATOM 2473 CB CYS B 67 153.721 13.891 -0.067 1.00 0.36 C ATOM 2474 SG CYS B 67 154.207 12.554 -1.184 1.00 0.36 S ATOM 0 H CYS B 67 152.600 14.306 -2.648 1.00 0.36 H new ATOM 0 HA CYS B 67 153.155 15.986 -0.233 1.00 0.37 H new ATOM 0 HB2 CYS B 67 154.506 14.069 0.668 1.00 0.36 H new ATOM 0 HB3 CYS B 67 152.825 13.610 0.486 1.00 0.36 H new ATOM 0 HG CYS B 67 153.564 12.672 -2.307 1.00 0.36 H new ATOM 2480 N GLY B 68 154.915 15.197 -2.826 1.00 0.35 N ATOM 2481 CA GLY B 68 156.169 15.547 -3.570 1.00 0.36 C ATOM 2482 C GLY B 68 157.081 14.318 -3.628 1.00 0.34 C ATOM 2483 O GLY B 68 158.243 14.415 -3.972 1.00 0.33 O ATOM 0 H GLY B 68 154.229 14.668 -3.364 1.00 0.35 H new ATOM 0 HA2 GLY B 68 155.926 15.882 -4.578 1.00 0.36 H new ATOM 0 HA3 GLY B 68 156.682 16.372 -3.075 1.00 0.36 H new ATOM 2487 N ALA B 69 156.571 13.163 -3.292 1.00 0.32 N ATOM 2488 CA ALA B 69 157.420 11.935 -3.331 1.00 0.31 C ATOM 2489 C ALA B 69 158.100 11.831 -4.697 1.00 0.31 C ATOM 2490 O ALA B 69 157.622 12.363 -5.679 1.00 0.32 O ATOM 2491 CB ALA B 69 156.546 10.702 -3.100 1.00 0.31 C ATOM 0 H ALA B 69 155.607 13.016 -2.993 1.00 0.32 H new ATOM 0 HA ALA B 69 158.178 11.992 -2.550 1.00 0.31 H new ATOM 0 HB1 ALA B 69 157.166 9.806 -3.129 1.00 0.31 H new ATOM 0 HB2 ALA B 69 156.061 10.777 -2.127 1.00 0.31 H new ATOM 0 HB3 ALA B 69 155.787 10.643 -3.880 1.00 0.31 H new ATOM 2497 N ASN B 70 159.224 11.165 -4.768 1.00 0.29 N ATOM 2498 CA ASN B 70 159.946 11.046 -6.069 1.00 0.29 C ATOM 2499 C ASN B 70 159.449 9.821 -6.838 1.00 0.29 C ATOM 2500 O ASN B 70 158.688 9.019 -6.335 1.00 0.29 O ATOM 2501 CB ASN B 70 161.444 10.887 -5.802 1.00 0.29 C ATOM 2502 CG ASN B 70 162.209 10.991 -7.124 1.00 1.07 C ATOM 2503 OD1 ASN B 70 162.045 11.942 -7.861 1.00 1.91 O ATOM 2504 ND2 ASN B 70 163.043 10.044 -7.456 1.00 1.78 N ATOM 0 H ASN B 70 159.673 10.698 -3.980 1.00 0.29 H new ATOM 0 HA ASN B 70 159.761 11.943 -6.660 1.00 0.29 H new ATOM 0 HB2 ASN B 70 161.785 11.657 -5.110 1.00 0.29 H new ATOM 0 HB3 ASN B 70 161.641 9.924 -5.330 1.00 0.29 H new ATOM 0 HD21 ASN B 70 163.557 10.102 -8.335 1.00 1.78 H new ATOM 0 HD22 ASN B 70 163.181 9.245 -6.837 1.00 1.78 H new ATOM 2511 N ALA B 71 159.876 9.684 -8.062 1.00 0.31 N ATOM 2512 CA ALA B 71 159.442 8.528 -8.890 1.00 0.33 C ATOM 2513 C ALA B 71 159.916 7.214 -8.263 1.00 0.31 C ATOM 2514 O ALA B 71 159.253 6.202 -8.364 1.00 0.31 O ATOM 2515 CB ALA B 71 160.036 8.658 -10.294 1.00 0.38 C ATOM 0 H ALA B 71 160.513 10.331 -8.527 1.00 0.31 H new ATOM 0 HA ALA B 71 158.353 8.523 -8.944 1.00 0.33 H new ATOM 0 HB1 ALA B 71 159.719 7.811 -10.903 1.00 0.38 H new ATOM 0 HB2 ALA B 71 159.689 9.584 -10.752 1.00 0.38 H new ATOM 0 HB3 ALA B 71 161.124 8.671 -10.229 1.00 0.38 H new ATOM 2521 N LYS B 72 161.059 7.206 -7.630 1.00 0.29 N ATOM 2522 CA LYS B 72 161.549 5.932 -7.027 1.00 0.28 C ATOM 2523 C LYS B 72 160.728 5.589 -5.780 1.00 0.26 C ATOM 2524 O LYS B 72 160.397 4.444 -5.534 1.00 0.26 O ATOM 2525 CB LYS B 72 163.026 6.071 -6.641 1.00 0.28 C ATOM 2526 CG LYS B 72 163.880 6.215 -7.903 1.00 1.18 C ATOM 2527 CD LYS B 72 165.354 6.354 -7.508 1.00 1.28 C ATOM 2528 CE LYS B 72 166.216 6.530 -8.763 1.00 2.10 C ATOM 2529 NZ LYS B 72 166.421 5.210 -9.423 1.00 2.57 N ATOM 0 H LYS B 72 161.668 8.015 -7.505 1.00 0.29 H new ATOM 0 HA LYS B 72 161.439 5.133 -7.761 1.00 0.28 H new ATOM 0 HB2 LYS B 72 163.163 6.940 -5.997 1.00 0.28 H new ATOM 0 HB3 LYS B 72 163.346 5.198 -6.072 1.00 0.28 H new ATOM 0 HG2 LYS B 72 163.745 5.346 -8.547 1.00 1.18 H new ATOM 0 HG3 LYS B 72 163.561 7.087 -8.473 1.00 1.18 H new ATOM 0 HD2 LYS B 72 165.483 7.210 -6.845 1.00 1.28 H new ATOM 0 HD3 LYS B 72 165.676 5.471 -6.956 1.00 1.28 H new ATOM 0 HE2 LYS B 72 165.733 7.221 -9.454 1.00 2.10 H new ATOM 0 HE3 LYS B 72 167.178 6.967 -8.496 1.00 2.10 H new ATOM 0 HZ1 LYS B 72 167.006 5.334 -10.274 1.00 2.57 H new ATOM 0 HZ2 LYS B 72 166.900 4.563 -8.764 1.00 2.57 H new ATOM 0 HZ3 LYS B 72 165.500 4.810 -9.692 1.00 2.57 H new ATOM 2543 N GLN B 73 160.413 6.572 -4.980 1.00 0.25 N ATOM 2544 CA GLN B 73 159.640 6.310 -3.737 1.00 0.24 C ATOM 2545 C GLN B 73 158.220 5.872 -4.078 1.00 0.25 C ATOM 2546 O GLN B 73 157.629 5.061 -3.392 1.00 0.25 O ATOM 2547 CB GLN B 73 159.585 7.581 -2.883 1.00 0.26 C ATOM 2548 CG GLN B 73 160.974 7.892 -2.318 1.00 0.28 C ATOM 2549 CD GLN B 73 161.381 6.811 -1.315 1.00 1.25 C ATOM 2550 OE1 GLN B 73 162.469 6.274 -1.391 1.00 2.12 O ATOM 2551 NE2 GLN B 73 160.545 6.458 -0.376 1.00 1.89 N ATOM 0 H GLN B 73 160.660 7.549 -5.137 1.00 0.25 H new ATOM 0 HA GLN B 73 160.136 5.514 -3.181 1.00 0.24 H new ATOM 0 HB2 GLN B 73 159.232 8.419 -3.485 1.00 0.26 H new ATOM 0 HB3 GLN B 73 158.873 7.451 -2.068 1.00 0.26 H new ATOM 0 HG2 GLN B 73 161.703 7.943 -3.127 1.00 0.28 H new ATOM 0 HG3 GLN B 73 160.969 8.868 -1.832 1.00 0.28 H new ATOM 0 HE21 GLN B 73 159.632 6.908 -0.311 1.00 1.89 H new ATOM 0 HE22 GLN B 73 160.805 5.733 0.292 1.00 1.89 H new ATOM 2560 N SER B 74 157.656 6.411 -5.123 1.00 0.26 N ATOM 2561 CA SER B 74 156.269 6.033 -5.491 1.00 0.27 C ATOM 2562 C SER B 74 156.230 4.579 -5.970 1.00 0.26 C ATOM 2563 O SER B 74 155.298 3.853 -5.686 1.00 0.26 O ATOM 2564 CB SER B 74 155.769 6.968 -6.593 1.00 0.30 C ATOM 2565 OG SER B 74 154.349 6.991 -6.575 1.00 1.36 O ATOM 0 H SER B 74 158.098 7.096 -5.736 1.00 0.26 H new ATOM 0 HA SER B 74 155.622 6.126 -4.619 1.00 0.27 H new ATOM 0 HB2 SER B 74 156.163 7.973 -6.441 1.00 0.30 H new ATOM 0 HB3 SER B 74 156.127 6.629 -7.565 1.00 0.30 H new ATOM 0 HG SER B 74 154.040 7.864 -6.255 1.00 1.36 H new ATOM 2571 N ARG B 75 157.226 4.140 -6.701 1.00 0.27 N ATOM 2572 CA ARG B 75 157.215 2.731 -7.184 1.00 0.27 C ATOM 2573 C ARG B 75 157.178 1.783 -5.990 1.00 0.26 C ATOM 2574 O ARG B 75 156.564 0.736 -6.047 1.00 0.26 O ATOM 2575 CB ARG B 75 158.456 2.441 -8.034 1.00 0.29 C ATOM 2576 CG ARG B 75 158.343 3.175 -9.372 1.00 0.32 C ATOM 2577 CD ARG B 75 159.584 2.887 -10.222 1.00 0.61 C ATOM 2578 NE ARG B 75 159.441 3.555 -11.546 1.00 1.35 N ATOM 2579 CZ ARG B 75 160.479 3.696 -12.324 1.00 1.82 C ATOM 2580 NH1 ARG B 75 161.651 3.271 -11.936 1.00 1.89 N ATOM 2581 NH2 ARG B 75 160.345 4.262 -13.493 1.00 2.81 N ATOM 0 H ARG B 75 158.037 4.693 -6.980 1.00 0.27 H new ATOM 0 HA ARG B 75 156.329 2.580 -7.801 1.00 0.27 H new ATOM 0 HB2 ARG B 75 159.354 2.762 -7.506 1.00 0.29 H new ATOM 0 HB3 ARG B 75 158.551 1.368 -8.203 1.00 0.29 H new ATOM 0 HG2 ARG B 75 157.445 2.853 -9.900 1.00 0.32 H new ATOM 0 HG3 ARG B 75 158.246 4.247 -9.203 1.00 0.32 H new ATOM 0 HD2 ARG B 75 160.478 3.248 -9.714 1.00 0.61 H new ATOM 0 HD3 ARG B 75 159.706 1.812 -10.356 1.00 0.61 H new ATOM 0 HE ARG B 75 158.530 3.903 -11.845 1.00 1.35 H new ATOM 0 HH11 ARG B 75 161.756 2.828 -11.023 1.00 1.89 H new ATOM 0 HH12 ARG B 75 162.461 3.382 -12.546 1.00 1.89 H new ATOM 0 HH21 ARG B 75 159.430 4.593 -13.797 1.00 2.81 H new ATOM 0 HH22 ARG B 75 161.156 4.373 -14.102 1.00 2.81 H new ATOM 2595 N ASP B 76 157.844 2.108 -4.918 1.00 0.24 N ATOM 2596 CA ASP B 76 157.859 1.199 -3.743 1.00 0.24 C ATOM 2597 C ASP B 76 156.479 1.141 -3.085 1.00 0.22 C ATOM 2598 O ASP B 76 156.030 0.089 -2.676 1.00 0.22 O ATOM 2599 CB ASP B 76 158.882 1.711 -2.729 1.00 0.23 C ATOM 2600 CG ASP B 76 160.293 1.510 -3.284 1.00 0.25 C ATOM 2601 OD1 ASP B 76 160.508 0.513 -3.954 1.00 0.40 O ATOM 2602 OD2 ASP B 76 161.133 2.358 -3.035 1.00 0.39 O ATOM 0 H ASP B 76 158.380 2.968 -4.806 1.00 0.24 H new ATOM 0 HA ASP B 76 158.127 0.197 -4.077 1.00 0.24 H new ATOM 0 HB2 ASP B 76 158.708 2.767 -2.522 1.00 0.23 H new ATOM 0 HB3 ASP B 76 158.772 1.179 -1.784 1.00 0.23 H new ATOM 2607 N CYS B 77 155.791 2.246 -2.981 1.00 0.22 N ATOM 2608 CA CYS B 77 154.443 2.212 -2.351 1.00 0.21 C ATOM 2609 C CYS B 77 153.453 1.483 -3.264 1.00 0.22 C ATOM 2610 O CYS B 77 152.619 0.730 -2.803 1.00 0.21 O ATOM 2611 CB CYS B 77 153.962 3.644 -2.119 1.00 0.22 C ATOM 2612 SG CYS B 77 154.951 4.396 -0.806 1.00 0.23 S ATOM 0 H CYS B 77 156.102 3.163 -3.302 1.00 0.22 H new ATOM 0 HA CYS B 77 154.504 1.682 -1.400 1.00 0.21 H new ATOM 0 HB2 CYS B 77 154.053 4.224 -3.037 1.00 0.22 H new ATOM 0 HB3 CYS B 77 152.907 3.646 -1.843 1.00 0.22 H new ATOM 0 HG CYS B 77 155.583 3.467 -0.153 1.00 0.23 H new ATOM 2618 N PHE B 78 153.517 1.700 -4.550 1.00 0.23 N ATOM 2619 CA PHE B 78 152.550 1.012 -5.449 1.00 0.25 C ATOM 2620 C PHE B 78 152.706 -0.499 -5.305 1.00 0.24 C ATOM 2621 O PHE B 78 151.782 -1.198 -4.939 1.00 0.23 O ATOM 2622 CB PHE B 78 152.821 1.433 -6.896 1.00 0.28 C ATOM 2623 CG PHE B 78 151.913 0.674 -7.835 1.00 0.32 C ATOM 2624 CD1 PHE B 78 150.631 1.163 -8.120 1.00 0.36 C ATOM 2625 CD2 PHE B 78 152.358 -0.511 -8.434 1.00 0.38 C ATOM 2626 CE1 PHE B 78 149.795 0.465 -9.000 1.00 0.40 C ATOM 2627 CE2 PHE B 78 151.520 -1.209 -9.314 1.00 0.43 C ATOM 2628 CZ PHE B 78 150.239 -0.721 -9.596 1.00 0.42 C ATOM 0 H PHE B 78 154.187 2.315 -5.011 1.00 0.23 H new ATOM 0 HA PHE B 78 151.531 1.290 -5.178 1.00 0.25 H new ATOM 0 HB2 PHE B 78 152.659 2.505 -7.008 1.00 0.28 H new ATOM 0 HB3 PHE B 78 153.863 1.240 -7.150 1.00 0.28 H new ATOM 0 HD1 PHE B 78 150.288 2.078 -7.661 1.00 0.36 H new ATOM 0 HD2 PHE B 78 153.347 -0.887 -8.218 1.00 0.38 H new ATOM 0 HE1 PHE B 78 148.807 0.842 -9.219 1.00 0.40 H new ATOM 0 HE2 PHE B 78 151.863 -2.124 -9.775 1.00 0.43 H new ATOM 0 HZ PHE B 78 149.593 -1.260 -10.274 1.00 0.42 H new ATOM 2638 N GLY B 79 153.870 -1.013 -5.592 1.00 0.25 N ATOM 2639 CA GLY B 79 154.093 -2.480 -5.477 1.00 0.25 C ATOM 2640 C GLY B 79 153.911 -2.934 -4.026 1.00 0.23 C ATOM 2641 O GLY B 79 153.442 -4.018 -3.761 1.00 0.24 O ATOM 0 H GLY B 79 154.680 -0.476 -5.903 1.00 0.25 H new ATOM 0 HA2 GLY B 79 153.394 -3.012 -6.122 1.00 0.25 H new ATOM 0 HA3 GLY B 79 155.097 -2.730 -5.820 1.00 0.25 H new ATOM 2645 N CYS B 80 154.264 -2.113 -3.080 1.00 0.22 N ATOM 2646 CA CYS B 80 154.090 -2.524 -1.658 1.00 0.21 C ATOM 2647 C CYS B 80 152.601 -2.545 -1.316 1.00 0.21 C ATOM 2648 O CYS B 80 152.103 -3.494 -0.743 1.00 0.22 O ATOM 2649 CB CYS B 80 154.814 -1.543 -0.737 1.00 0.22 C ATOM 2650 SG CYS B 80 154.600 -2.067 0.984 1.00 0.24 S ATOM 0 H CYS B 80 154.661 -1.185 -3.225 1.00 0.22 H new ATOM 0 HA CYS B 80 154.513 -3.519 -1.518 1.00 0.21 H new ATOM 0 HB2 CYS B 80 155.874 -1.505 -0.988 1.00 0.22 H new ATOM 0 HB3 CYS B 80 154.418 -0.537 -0.875 1.00 0.22 H new ATOM 0 HG CYS B 80 154.406 -1.023 1.735 1.00 0.24 H new ATOM 2656 N LEU B 81 151.874 -1.525 -1.684 1.00 0.21 N ATOM 2657 CA LEU B 81 150.416 -1.538 -1.392 1.00 0.21 C ATOM 2658 C LEU B 81 149.741 -2.562 -2.313 1.00 0.21 C ATOM 2659 O LEU B 81 148.856 -3.287 -1.908 1.00 0.22 O ATOM 2660 CB LEU B 81 149.830 -0.143 -1.646 1.00 0.22 C ATOM 2661 CG LEU B 81 150.517 0.894 -0.739 1.00 0.24 C ATOM 2662 CD1 LEU B 81 150.279 2.300 -1.294 1.00 0.29 C ATOM 2663 CD2 LEU B 81 149.943 0.825 0.681 1.00 0.28 C ATOM 0 H LEU B 81 152.221 -0.696 -2.167 1.00 0.21 H new ATOM 0 HA LEU B 81 150.244 -1.809 -0.350 1.00 0.21 H new ATOM 0 HB2 LEU B 81 149.965 0.131 -2.692 1.00 0.22 H new ATOM 0 HB3 LEU B 81 148.757 -0.151 -1.455 1.00 0.22 H new ATOM 0 HG LEU B 81 151.584 0.675 -0.711 1.00 0.24 H new ATOM 0 HD11 LEU B 81 150.766 3.032 -0.650 1.00 0.29 H new ATOM 0 HD12 LEU B 81 150.693 2.369 -2.300 1.00 0.29 H new ATOM 0 HD13 LEU B 81 149.208 2.502 -1.327 1.00 0.29 H new ATOM 0 HD21 LEU B 81 150.439 1.564 1.310 1.00 0.28 H new ATOM 0 HD22 LEU B 81 148.873 1.033 0.652 1.00 0.28 H new ATOM 0 HD23 LEU B 81 150.108 -0.171 1.092 1.00 0.28 H new ATOM 2675 N ARG B 82 150.149 -2.621 -3.556 1.00 0.22 N ATOM 2676 CA ARG B 82 149.525 -3.592 -4.502 1.00 0.24 C ATOM 2677 C ARG B 82 149.807 -5.027 -4.053 1.00 0.25 C ATOM 2678 O ARG B 82 148.954 -5.889 -4.137 1.00 0.26 O ATOM 2679 CB ARG B 82 150.080 -3.384 -5.913 1.00 0.28 C ATOM 2680 CG ARG B 82 149.346 -4.315 -6.886 1.00 0.32 C ATOM 2681 CD ARG B 82 149.853 -4.083 -8.310 1.00 0.85 C ATOM 2682 NE ARG B 82 149.139 -5.007 -9.238 1.00 1.42 N ATOM 2683 CZ ARG B 82 149.196 -4.812 -10.527 1.00 1.96 C ATOM 2684 NH1 ARG B 82 149.864 -3.800 -11.005 1.00 2.26 N ATOM 2685 NH2 ARG B 82 148.583 -5.630 -11.337 1.00 2.74 N ATOM 0 H ARG B 82 150.886 -2.039 -3.955 1.00 0.22 H new ATOM 0 HA ARG B 82 148.448 -3.423 -4.508 1.00 0.24 H new ATOM 0 HB2 ARG B 82 149.951 -2.345 -6.218 1.00 0.28 H new ATOM 0 HB3 ARG B 82 151.150 -3.591 -5.930 1.00 0.28 H new ATOM 0 HG2 ARG B 82 149.505 -5.354 -6.599 1.00 0.32 H new ATOM 0 HG3 ARG B 82 148.273 -4.132 -6.838 1.00 0.32 H new ATOM 0 HD2 ARG B 82 149.683 -3.048 -8.606 1.00 0.85 H new ATOM 0 HD3 ARG B 82 150.928 -4.257 -8.360 1.00 0.85 H new ATOM 0 HE ARG B 82 148.606 -5.792 -8.865 1.00 1.42 H new ATOM 0 HH11 ARG B 82 150.343 -3.160 -10.371 1.00 2.26 H new ATOM 0 HH12 ARG B 82 149.908 -3.648 -12.013 1.00 2.26 H new ATOM 0 HH21 ARG B 82 148.060 -6.421 -10.963 1.00 2.74 H new ATOM 0 HH22 ARG B 82 148.627 -5.478 -12.345 1.00 2.74 H new ATOM 2699 N GLU B 83 150.993 -5.298 -3.586 1.00 0.25 N ATOM 2700 CA GLU B 83 151.316 -6.685 -3.147 1.00 0.27 C ATOM 2701 C GLU B 83 150.550 -7.025 -1.869 1.00 0.27 C ATOM 2702 O GLU B 83 150.074 -8.131 -1.711 1.00 0.28 O ATOM 2703 CB GLU B 83 152.826 -6.823 -2.918 1.00 0.29 C ATOM 2704 CG GLU B 83 153.543 -6.908 -4.271 1.00 0.33 C ATOM 2705 CD GLU B 83 155.053 -7.002 -4.049 1.00 1.20 C ATOM 2706 OE1 GLU B 83 155.451 -7.187 -2.911 1.00 1.91 O ATOM 2707 OE2 GLU B 83 155.784 -6.889 -5.018 1.00 1.57 O ATOM 0 H GLU B 83 151.751 -4.622 -3.489 1.00 0.25 H new ATOM 0 HA GLU B 83 151.015 -7.383 -3.928 1.00 0.27 H new ATOM 0 HB2 GLU B 83 153.198 -5.970 -2.350 1.00 0.29 H new ATOM 0 HB3 GLU B 83 153.035 -7.715 -2.327 1.00 0.29 H new ATOM 0 HG2 GLU B 83 153.192 -7.779 -4.825 1.00 0.33 H new ATOM 0 HG3 GLU B 83 153.308 -6.031 -4.874 1.00 0.33 H new ATOM 2714 N TRP B 84 150.389 -6.096 -0.960 1.00 0.25 N ATOM 2715 CA TRP B 84 149.614 -6.408 0.271 1.00 0.25 C ATOM 2716 C TRP B 84 148.198 -6.808 -0.154 1.00 0.26 C ATOM 2717 O TRP B 84 147.623 -7.749 0.353 1.00 0.28 O ATOM 2718 CB TRP B 84 149.557 -5.172 1.172 1.00 0.25 C ATOM 2719 CG TRP B 84 148.824 -5.502 2.435 1.00 0.27 C ATOM 2720 CD1 TRP B 84 149.409 -5.929 3.578 1.00 0.30 C ATOM 2721 CD2 TRP B 84 147.392 -5.449 2.705 1.00 0.29 C ATOM 2722 NE1 TRP B 84 148.431 -6.134 4.534 1.00 0.32 N ATOM 2723 CE2 TRP B 84 147.171 -5.853 4.044 1.00 0.32 C ATOM 2724 CE3 TRP B 84 146.274 -5.091 1.928 1.00 0.31 C ATOM 2725 CZ2 TRP B 84 145.888 -5.901 4.592 1.00 0.35 C ATOM 2726 CZ3 TRP B 84 144.981 -5.140 2.478 1.00 0.35 C ATOM 2727 CH2 TRP B 84 144.789 -5.544 3.807 1.00 0.36 C ATOM 0 H TRP B 84 150.757 -5.147 -1.019 1.00 0.25 H new ATOM 0 HA TRP B 84 150.087 -7.219 0.825 1.00 0.25 H new ATOM 0 HB2 TRP B 84 150.566 -4.832 1.404 1.00 0.25 H new ATOM 0 HB3 TRP B 84 149.057 -4.354 0.653 1.00 0.25 H new ATOM 0 HD1 TRP B 84 150.468 -6.085 3.721 1.00 0.30 H new ATOM 0 HE1 TRP B 84 148.618 -6.454 5.485 1.00 0.32 H new ATOM 0 HE3 TRP B 84 146.410 -4.777 0.904 1.00 0.31 H new ATOM 0 HZ2 TRP B 84 145.746 -6.212 5.616 1.00 0.35 H new ATOM 0 HZ3 TRP B 84 144.130 -4.865 1.873 1.00 0.35 H new ATOM 0 HH2 TRP B 84 143.793 -5.579 4.223 1.00 0.36 H new ATOM 2738 N CYS B 85 147.634 -6.092 -1.091 1.00 0.27 N ATOM 2739 CA CYS B 85 146.256 -6.422 -1.556 1.00 0.30 C ATOM 2740 C CYS B 85 146.231 -7.838 -2.135 1.00 0.33 C ATOM 2741 O CYS B 85 145.303 -8.592 -1.927 1.00 0.36 O ATOM 2742 CB CYS B 85 145.834 -5.429 -2.644 1.00 0.33 C ATOM 2743 SG CYS B 85 145.562 -3.798 -1.906 1.00 0.33 S ATOM 0 H CYS B 85 148.068 -5.293 -1.554 1.00 0.27 H new ATOM 0 HA CYS B 85 145.569 -6.361 -0.712 1.00 0.30 H new ATOM 0 HB2 CYS B 85 146.604 -5.367 -3.413 1.00 0.33 H new ATOM 0 HB3 CYS B 85 144.923 -5.775 -3.132 1.00 0.33 H new ATOM 0 HG CYS B 85 146.700 -3.183 -1.781 1.00 0.33 H new ATOM 2749 N ASP B 86 147.243 -8.206 -2.859 1.00 0.34 N ATOM 2750 CA ASP B 86 147.275 -9.569 -3.454 1.00 0.40 C ATOM 2751 C ASP B 86 147.195 -10.624 -2.346 1.00 0.41 C ATOM 2752 O ASP B 86 146.654 -11.695 -2.537 1.00 0.43 O ATOM 2753 CB ASP B 86 148.572 -9.750 -4.246 1.00 0.42 C ATOM 2754 CG ASP B 86 148.525 -8.884 -5.507 1.00 0.43 C ATOM 2755 OD1 ASP B 86 147.434 -8.510 -5.905 1.00 0.55 O ATOM 2756 OD2 ASP B 86 149.580 -8.613 -6.055 1.00 0.52 O ATOM 0 H ASP B 86 148.053 -7.622 -3.067 1.00 0.34 H new ATOM 0 HA ASP B 86 146.422 -9.690 -4.122 1.00 0.40 H new ATOM 0 HB2 ASP B 86 149.428 -9.470 -3.632 1.00 0.42 H new ATOM 0 HB3 ASP B 86 148.702 -10.798 -4.516 1.00 0.42 H new ATOM 2761 N ALA B 87 147.743 -10.340 -1.195 1.00 0.40 N ATOM 2762 CA ALA B 87 147.712 -11.340 -0.082 1.00 0.43 C ATOM 2763 C ALA B 87 146.486 -11.127 0.817 1.00 0.43 C ATOM 2764 O ALA B 87 145.944 -12.067 1.362 1.00 0.47 O ATOM 2765 CB ALA B 87 148.981 -11.194 0.758 1.00 0.40 C ATOM 0 H ALA B 87 148.211 -9.461 -0.975 1.00 0.40 H new ATOM 0 HA ALA B 87 147.654 -12.339 -0.515 1.00 0.43 H new ATOM 0 HB1 ALA B 87 148.965 -11.920 1.571 1.00 0.40 H new ATOM 0 HB2 ALA B 87 149.855 -11.371 0.131 1.00 0.40 H new ATOM 0 HB3 ALA B 87 149.029 -10.187 1.172 1.00 0.40 H new ATOM 2771 N PHE B 88 146.065 -9.899 1.003 1.00 0.39 N ATOM 2772 CA PHE B 88 144.893 -9.616 1.904 1.00 0.44 C ATOM 2773 C PHE B 88 143.650 -9.223 1.100 1.00 0.54 C ATOM 2774 O PHE B 88 142.622 -8.900 1.662 1.00 1.24 O ATOM 2775 CB PHE B 88 145.245 -8.461 2.841 1.00 0.41 C ATOM 2776 CG PHE B 88 146.303 -8.900 3.822 1.00 0.38 C ATOM 2777 CD1 PHE B 88 145.931 -9.504 5.028 1.00 0.43 C ATOM 2778 CD2 PHE B 88 147.657 -8.703 3.527 1.00 0.35 C ATOM 2779 CE1 PHE B 88 146.911 -9.911 5.938 1.00 0.46 C ATOM 2780 CE2 PHE B 88 148.636 -9.110 4.437 1.00 0.39 C ATOM 2781 CZ PHE B 88 148.263 -9.714 5.641 1.00 0.44 C ATOM 0 H PHE B 88 146.481 -9.075 0.570 1.00 0.39 H new ATOM 0 HA PHE B 88 144.676 -10.524 2.466 1.00 0.44 H new ATOM 0 HB2 PHE B 88 145.603 -7.609 2.263 1.00 0.41 H new ATOM 0 HB3 PHE B 88 144.355 -8.131 3.376 1.00 0.41 H new ATOM 0 HD1 PHE B 88 144.886 -9.656 5.256 1.00 0.43 H new ATOM 0 HD2 PHE B 88 147.945 -8.237 2.596 1.00 0.35 H new ATOM 0 HE1 PHE B 88 146.624 -10.377 6.869 1.00 0.46 H new ATOM 0 HE2 PHE B 88 149.681 -8.958 4.210 1.00 0.39 H new ATOM 0 HZ PHE B 88 149.021 -10.029 6.343 1.00 0.44 H new ATOM 2791 N LEU B 89 143.727 -9.218 -0.204 1.00 0.39 N ATOM 2792 CA LEU B 89 142.542 -8.813 -1.020 1.00 0.36 C ATOM 2793 C LEU B 89 142.559 -9.572 -2.349 1.00 0.87 C ATOM 2794 O LEU B 89 143.617 -10.052 -2.722 1.00 1.43 O ATOM 2795 CB LEU B 89 142.624 -7.298 -1.265 1.00 0.74 C ATOM 2796 CG LEU B 89 141.520 -6.821 -2.217 1.00 0.47 C ATOM 2797 CD1 LEU B 89 140.141 -7.133 -1.621 1.00 1.00 C ATOM 2798 CD2 LEU B 89 141.661 -5.304 -2.424 1.00 1.27 C ATOM 2799 OXT LEU B 89 141.513 -9.664 -2.969 1.00 1.67 O ATOM 0 H LEU B 89 144.556 -9.476 -0.740 1.00 0.39 H new ATOM 0 HA LEU B 89 141.614 -9.050 -0.499 1.00 0.36 H new ATOM 0 HB2 LEU B 89 142.540 -6.770 -0.315 1.00 0.74 H new ATOM 0 HB3 LEU B 89 143.599 -7.048 -1.683 1.00 0.74 H new ATOM 0 HG LEU B 89 141.615 -7.337 -3.172 1.00 0.47 H new ATOM 0 HD11 LEU B 89 139.364 -6.791 -2.304 1.00 1.00 H new ATOM 0 HD12 LEU B 89 140.044 -8.208 -1.471 1.00 1.00 H new ATOM 0 HD13 LEU B 89 140.034 -6.622 -0.664 1.00 1.00 H new ATOM 0 HD21 LEU B 89 140.880 -4.955 -3.100 1.00 1.27 H new ATOM 0 HD22 LEU B 89 141.565 -4.795 -1.465 1.00 1.27 H new ATOM 0 HD23 LEU B 89 142.638 -5.085 -2.854 1.00 1.27 H new TER 2811 LEU B 89