USER MOD reduce.3.24.130724 H: found=0, std=0, add=915, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 916 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 206 ASN : amide:sc= -0.153 X(o=-0.18,f=0.02) USER MOD Set 1.2: B 207 SER OG : rot 180:sc= -0.0232 USER MOD Set 2.1: A 55 THR OG1 : rot -71:sc= 1.11 USER MOD Set 2.2: A 95 LYS NZ :NH3+ 166:sc= 2.51 (180deg=1.07) USER MOD Set 3.1: A 39 ASN : amide:sc= -0.282 K(o=-0.22,f=-4.4!) USER MOD Set 3.2: A 40 SER OG : rot 180:sc= 0.0571 USER MOD Set 4.1: A 26 ASN : amide:sc= -1.03 K(o=-0.37,f=-2.2) USER MOD Set 4.2: B 208 HIS : no HE2:sc= 0.658 K(o=-0.37,f=-3.9!) USER MOD Set 5.1: A 10 THR OG1 : rot 180:sc= 0.894 USER MOD Set 5.2: A 19 SER OG : rot -134:sc= -1.68! USER MOD Set 6.1: A 4 THR OG1 : rot 180:sc= 0 USER MOD Set 6.2: A 84 GLN : amide:sc= -1.58! C(o=0.061!,f=-9.3!) USER MOD Set 6.3: A 87 CYS SG : rot 50:sc= 1.65 USER MOD Set 7.1: A 3 LYS NZ :NH3+ -106:sc= 1.16 (180deg=-0.128) USER MOD Set 7.2: A 9 GLN : amide:sc= 2.13 K(o=3.3,f=-7.2!) USER MOD Single : A 1 MET CE :methyl -162:sc= -0.0601 (180deg=-0.418) USER MOD Single : A 1 MET N :NH3+ 175:sc= -0.127 (180deg=-0.189) USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -140:sc= -1 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.0633 K(o=-0.063,f=-9.7!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 77:sc= 1.02 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 37 GLN : amide:sc=-0.00706 K(o=-0.0071,f=-0.93) USER MOD Single : A 45 GLN : amide:sc= -2.93 K(o=-2.9,f=-6.3!) USER MOD Single : A 49 GLN : amide:sc= -1.44 X(o=-1.4,f=-1.2) USER MOD Single : A 62 GLN : amide:sc= -5.6! C(o=-5.6!,f=-7!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 150:sc= 2.44 (180deg=0.793) USER MOD Single : A 69 LYS NZ :NH3+ -177:sc= 1.36 (180deg=1.3) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -167:sc= 1.25 (180deg=1.19) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -170:sc= -1.48 USER MOD Single : A 79 SER OG : rot 180:sc= 0.0231 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -5.31! C(o=-5.3!,f=-5.8!) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot -20:sc= -0.202 USER MOD Single : A 97 ASN : amide:sc= -0.105 X(o=-0.11,f=-0.07) USER MOD Single : B 192 TYR OH : rot 180:sc= 0 USER MOD Single : B 196 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 199 LYS NZ :NH3+ -165:sc= -0.0238 (180deg=-0.261) USER MOD Single : B 201 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.024) USER MOD Single : B 204 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 205 THR OG1 : rot 180:sc= 0.00955 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.573 -14.262 -9.674 1.00 1.79 N ATOM 2 CA MET A 1 -4.313 -12.811 -9.539 1.00 1.50 C ATOM 3 C MET A 1 -5.609 -12.012 -9.657 1.00 1.45 C ATOM 4 O MET A 1 -5.582 -10.794 -9.820 1.00 2.06 O ATOM 5 CB MET A 1 -3.311 -12.342 -10.602 1.00 1.78 C ATOM 6 CG MET A 1 -3.830 -12.440 -12.025 1.00 2.07 C ATOM 7 SD MET A 1 -2.669 -11.763 -13.229 1.00 2.89 S ATOM 8 CE MET A 1 -2.746 -10.014 -12.844 1.00 2.97 C ATOM 0 H1 MET A 1 -3.670 -14.778 -9.675 1.00 1.79 H new ATOM 0 H2 MET A 1 -5.156 -14.586 -8.876 1.00 1.79 H new ATOM 0 H3 MET A 1 -5.076 -14.443 -10.566 1.00 1.79 H new ATOM 0 HA MET A 1 -3.887 -12.637 -8.551 1.00 1.50 H new ATOM 0 HB2 MET A 1 -3.037 -11.307 -10.397 1.00 1.78 H new ATOM 0 HB3 MET A 1 -2.401 -12.936 -10.516 1.00 1.78 H new ATOM 0 HG2 MET A 1 -4.030 -13.484 -12.265 1.00 2.07 H new ATOM 0 HG3 MET A 1 -4.779 -11.908 -12.100 1.00 2.07 H new ATOM 0 HE1 MET A 1 -2.349 -9.439 -13.681 1.00 2.97 H new ATOM 0 HE2 MET A 1 -3.782 -9.726 -12.665 1.00 2.97 H new ATOM 0 HE3 MET A 1 -2.154 -9.811 -11.952 1.00 2.97 H new ATOM 20 N ALA A 2 -6.745 -12.698 -9.575 1.00 1.41 N ATOM 21 CA ALA A 2 -8.037 -12.036 -9.671 1.00 1.47 C ATOM 22 C ALA A 2 -8.570 -11.702 -8.280 1.00 1.31 C ATOM 23 O ALA A 2 -9.408 -12.420 -7.729 1.00 1.40 O ATOM 24 CB ALA A 2 -9.028 -12.906 -10.437 1.00 1.83 C ATOM 0 H ALA A 2 -6.795 -13.708 -9.443 1.00 1.41 H new ATOM 0 HA ALA A 2 -7.909 -11.103 -10.220 1.00 1.47 H new ATOM 0 HB1 ALA A 2 -9.989 -12.395 -10.499 1.00 1.83 H new ATOM 0 HB2 ALA A 2 -8.649 -13.090 -11.442 1.00 1.83 H new ATOM 0 HB3 ALA A 2 -9.155 -13.856 -9.918 1.00 1.83 H new ATOM 30 N LYS A 3 -8.079 -10.607 -7.714 1.00 1.21 N ATOM 31 CA LYS A 3 -8.486 -10.171 -6.383 1.00 1.10 C ATOM 32 C LYS A 3 -9.870 -9.519 -6.419 1.00 1.05 C ATOM 33 O LYS A 3 -10.054 -8.385 -5.978 1.00 1.21 O ATOM 34 CB LYS A 3 -7.452 -9.189 -5.819 1.00 1.11 C ATOM 35 CG LYS A 3 -7.444 -9.112 -4.302 1.00 1.22 C ATOM 36 CD LYS A 3 -6.425 -8.104 -3.799 1.00 1.18 C ATOM 37 CE LYS A 3 -6.514 -7.925 -2.289 1.00 1.23 C ATOM 38 NZ LYS A 3 -6.054 -9.133 -1.557 1.00 1.47 N ATOM 0 H LYS A 3 -7.392 -9.999 -8.160 1.00 1.21 H new ATOM 0 HA LYS A 3 -8.542 -11.046 -5.735 1.00 1.10 H new ATOM 0 HB2 LYS A 3 -6.460 -9.482 -6.164 1.00 1.11 H new ATOM 0 HB3 LYS A 3 -7.649 -8.196 -6.223 1.00 1.11 H new ATOM 0 HG2 LYS A 3 -8.436 -8.836 -3.946 1.00 1.22 H new ATOM 0 HG3 LYS A 3 -7.219 -10.095 -3.888 1.00 1.22 H new ATOM 0 HD2 LYS A 3 -5.422 -8.434 -4.069 1.00 1.18 H new ATOM 0 HD3 LYS A 3 -6.588 -7.145 -4.290 1.00 1.18 H new ATOM 0 HE2 LYS A 3 -5.911 -7.068 -1.989 1.00 1.23 H new ATOM 0 HE3 LYS A 3 -7.544 -7.703 -2.010 1.00 1.23 H new ATOM 0 HZ1 LYS A 3 -6.876 -9.634 -1.162 1.00 1.47 H new ATOM 0 HZ2 LYS A 3 -5.546 -9.763 -2.211 1.00 1.47 H new ATOM 0 HZ3 LYS A 3 -5.418 -8.850 -0.785 1.00 1.47 H new ATOM 52 N THR A 4 -10.836 -10.248 -6.954 1.00 1.06 N ATOM 53 CA THR A 4 -12.204 -9.765 -7.058 1.00 1.06 C ATOM 54 C THR A 4 -13.190 -10.823 -6.571 1.00 1.13 C ATOM 55 O THR A 4 -14.222 -10.503 -5.983 1.00 1.27 O ATOM 56 CB THR A 4 -12.538 -9.379 -8.513 1.00 1.12 C ATOM 57 OG1 THR A 4 -11.430 -8.674 -9.082 1.00 1.22 O ATOM 58 CG2 THR A 4 -13.780 -8.505 -8.578 1.00 1.23 C ATOM 0 H THR A 4 -10.695 -11.187 -7.327 1.00 1.06 H new ATOM 0 HA THR A 4 -12.293 -8.881 -6.427 1.00 1.06 H new ATOM 0 HB THR A 4 -12.732 -10.292 -9.075 1.00 1.12 H new ATOM 0 HG1 THR A 4 -11.639 -8.429 -10.008 1.00 1.22 H new ATOM 0 HG21 THR A 4 -13.991 -8.249 -9.616 1.00 1.23 H new ATOM 0 HG22 THR A 4 -14.628 -9.046 -8.158 1.00 1.23 H new ATOM 0 HG23 THR A 4 -13.613 -7.592 -8.006 1.00 1.23 H new ATOM 66 N GLU A 5 -12.851 -12.088 -6.796 1.00 1.20 N ATOM 67 CA GLU A 5 -13.711 -13.190 -6.385 1.00 1.33 C ATOM 68 C GLU A 5 -13.294 -13.730 -5.022 1.00 1.31 C ATOM 69 O GLU A 5 -13.802 -14.756 -4.565 1.00 1.58 O ATOM 70 CB GLU A 5 -13.674 -14.309 -7.426 1.00 1.56 C ATOM 71 CG GLU A 5 -14.177 -13.880 -8.793 1.00 1.73 C ATOM 72 CD GLU A 5 -15.522 -13.186 -8.719 1.00 1.94 C ATOM 73 OE1 GLU A 5 -16.510 -13.830 -8.297 1.00 2.37 O ATOM 74 OE2 GLU A 5 -15.596 -11.997 -9.081 1.00 2.15 O ATOM 0 H GLU A 5 -11.989 -12.374 -7.260 1.00 1.20 H new ATOM 0 HA GLU A 5 -14.730 -12.811 -6.306 1.00 1.33 H new ATOM 0 HB2 GLU A 5 -12.651 -14.672 -7.521 1.00 1.56 H new ATOM 0 HB3 GLU A 5 -14.277 -15.145 -7.071 1.00 1.56 H new ATOM 0 HG2 GLU A 5 -13.450 -13.210 -9.251 1.00 1.73 H new ATOM 0 HG3 GLU A 5 -14.257 -14.754 -9.439 1.00 1.73 H new ATOM 81 N GLU A 6 -12.372 -13.035 -4.376 1.00 1.20 N ATOM 82 CA GLU A 6 -11.890 -13.446 -3.067 1.00 1.19 C ATOM 83 C GLU A 6 -12.928 -13.095 -2.009 1.00 1.14 C ATOM 84 O GLU A 6 -13.396 -13.963 -1.273 1.00 1.26 O ATOM 85 CB GLU A 6 -10.565 -12.752 -2.743 1.00 1.16 C ATOM 86 CG GLU A 6 -9.595 -12.696 -3.914 1.00 1.41 C ATOM 87 CD GLU A 6 -8.814 -13.977 -4.086 1.00 1.47 C ATOM 88 OE1 GLU A 6 -9.307 -14.891 -4.770 1.00 1.64 O ATOM 89 OE2 GLU A 6 -7.697 -14.074 -3.538 1.00 1.83 O ATOM 0 H GLU A 6 -11.942 -12.183 -4.737 1.00 1.20 H new ATOM 0 HA GLU A 6 -11.726 -14.524 -3.074 1.00 1.19 H new ATOM 0 HB2 GLU A 6 -10.771 -11.736 -2.406 1.00 1.16 H new ATOM 0 HB3 GLU A 6 -10.087 -13.272 -1.913 1.00 1.16 H new ATOM 0 HG2 GLU A 6 -10.149 -12.487 -4.829 1.00 1.41 H new ATOM 0 HG3 GLU A 6 -8.901 -11.869 -3.766 1.00 1.41 H new ATOM 96 N MET A 7 -13.289 -11.812 -1.977 1.00 1.05 N ATOM 97 CA MET A 7 -14.275 -11.273 -1.037 1.00 1.09 C ATOM 98 C MET A 7 -13.769 -11.330 0.403 1.00 1.12 C ATOM 99 O MET A 7 -13.372 -10.315 0.961 1.00 1.32 O ATOM 100 CB MET A 7 -15.619 -12.003 -1.153 1.00 1.22 C ATOM 101 CG MET A 7 -16.773 -11.247 -0.516 1.00 1.44 C ATOM 102 SD MET A 7 -17.147 -9.707 -1.376 1.00 1.75 S ATOM 103 CE MET A 7 -18.318 -8.959 -0.242 1.00 2.16 C ATOM 0 H MET A 7 -12.902 -11.110 -2.608 1.00 1.05 H new ATOM 0 HA MET A 7 -14.427 -10.227 -1.305 1.00 1.09 H new ATOM 0 HB2 MET A 7 -15.842 -12.172 -2.206 1.00 1.22 H new ATOM 0 HB3 MET A 7 -15.533 -12.983 -0.684 1.00 1.22 H new ATOM 0 HG2 MET A 7 -17.660 -11.881 -0.510 1.00 1.44 H new ATOM 0 HG3 MET A 7 -16.530 -11.029 0.524 1.00 1.44 H new ATOM 0 HE1 MET A 7 -18.643 -7.996 -0.637 1.00 2.16 H new ATOM 0 HE2 MET A 7 -19.182 -9.614 -0.126 1.00 2.16 H new ATOM 0 HE3 MET A 7 -17.842 -8.812 0.728 1.00 2.16 H new ATOM 113 N VAL A 8 -13.759 -12.521 0.983 1.00 1.13 N ATOM 114 CA VAL A 8 -13.327 -12.705 2.362 1.00 1.22 C ATOM 115 C VAL A 8 -11.819 -12.526 2.527 1.00 1.14 C ATOM 116 O VAL A 8 -11.017 -13.322 2.036 1.00 1.34 O ATOM 117 CB VAL A 8 -13.756 -14.086 2.903 1.00 1.45 C ATOM 118 CG1 VAL A 8 -15.243 -14.082 3.214 1.00 1.70 C ATOM 119 CG2 VAL A 8 -13.429 -15.197 1.913 1.00 1.49 C ATOM 0 H VAL A 8 -14.047 -13.381 0.516 1.00 1.13 H new ATOM 0 HA VAL A 8 -13.820 -11.927 2.945 1.00 1.22 H new ATOM 0 HB VAL A 8 -13.196 -14.279 3.818 1.00 1.45 H new ATOM 0 HG11 VAL A 8 -15.538 -15.060 3.595 1.00 1.70 H new ATOM 0 HG12 VAL A 8 -15.456 -13.321 3.965 1.00 1.70 H new ATOM 0 HG13 VAL A 8 -15.804 -13.863 2.306 1.00 1.70 H new ATOM 0 HG21 VAL A 8 -13.744 -16.156 2.325 1.00 1.49 H new ATOM 0 HG22 VAL A 8 -13.954 -15.015 0.975 1.00 1.49 H new ATOM 0 HG23 VAL A 8 -12.355 -15.216 1.730 1.00 1.49 H new ATOM 129 N GLN A 9 -11.442 -11.448 3.200 1.00 0.97 N ATOM 130 CA GLN A 9 -10.043 -11.136 3.460 1.00 0.93 C ATOM 131 C GLN A 9 -9.803 -10.944 4.964 1.00 0.91 C ATOM 132 O GLN A 9 -9.724 -11.919 5.707 1.00 0.98 O ATOM 133 CB GLN A 9 -9.644 -9.883 2.688 1.00 0.89 C ATOM 134 CG GLN A 9 -9.976 -9.948 1.211 1.00 1.00 C ATOM 135 CD GLN A 9 -8.966 -10.751 0.421 1.00 1.20 C ATOM 136 OE1 GLN A 9 -8.031 -10.195 -0.147 1.00 1.49 O ATOM 137 NE2 GLN A 9 -9.144 -12.062 0.383 1.00 1.43 N ATOM 0 H GLN A 9 -12.097 -10.765 3.581 1.00 0.97 H new ATOM 0 HA GLN A 9 -9.426 -11.970 3.124 1.00 0.93 H new ATOM 0 HB2 GLN A 9 -10.146 -9.021 3.127 1.00 0.89 H new ATOM 0 HB3 GLN A 9 -8.572 -9.721 2.804 1.00 0.89 H new ATOM 0 HG2 GLN A 9 -10.965 -10.389 1.084 1.00 1.00 H new ATOM 0 HG3 GLN A 9 -10.025 -8.936 0.809 1.00 1.00 H new ATOM 0 HE21 GLN A 9 -9.935 -12.484 0.870 1.00 1.43 H new ATOM 0 HE22 GLN A 9 -8.490 -12.651 -0.133 1.00 1.43 H new ATOM 146 N THR A 10 -9.715 -9.690 5.414 1.00 0.91 N ATOM 147 CA THR A 10 -9.502 -9.381 6.830 1.00 0.91 C ATOM 148 C THR A 10 -10.698 -8.600 7.384 1.00 0.88 C ATOM 149 O THR A 10 -10.964 -7.478 6.955 1.00 0.82 O ATOM 150 CB THR A 10 -8.209 -8.565 7.027 1.00 0.89 C ATOM 151 OG1 THR A 10 -7.148 -9.145 6.253 1.00 0.98 O ATOM 152 CG2 THR A 10 -7.810 -8.530 8.494 1.00 0.96 C ATOM 0 H THR A 10 -9.788 -8.868 4.814 1.00 0.91 H new ATOM 0 HA THR A 10 -9.403 -10.321 7.372 1.00 0.91 H new ATOM 0 HB THR A 10 -8.392 -7.544 6.693 1.00 0.89 H new ATOM 0 HG1 THR A 10 -6.328 -8.623 6.379 1.00 0.98 H new ATOM 0 HG21 THR A 10 -6.895 -7.949 8.608 1.00 0.96 H new ATOM 0 HG22 THR A 10 -8.608 -8.070 9.077 1.00 0.96 H new ATOM 0 HG23 THR A 10 -7.641 -9.546 8.849 1.00 0.96 H new ATOM 160 N GLU A 11 -11.424 -9.199 8.323 1.00 0.99 N ATOM 161 CA GLU A 11 -12.613 -8.570 8.896 1.00 1.04 C ATOM 162 C GLU A 11 -12.270 -7.526 9.949 1.00 1.02 C ATOM 163 O GLU A 11 -11.196 -7.558 10.549 1.00 1.03 O ATOM 164 CB GLU A 11 -13.527 -9.635 9.498 1.00 1.19 C ATOM 165 CG GLU A 11 -15.001 -9.270 9.440 1.00 1.29 C ATOM 166 CD GLU A 11 -15.891 -10.489 9.349 1.00 1.51 C ATOM 167 OE1 GLU A 11 -16.272 -11.035 10.404 1.00 1.89 O ATOM 168 OE2 GLU A 11 -16.200 -10.916 8.222 1.00 1.58 O ATOM 0 H GLU A 11 -11.211 -10.120 8.705 1.00 0.99 H new ATOM 0 HA GLU A 11 -13.127 -8.054 8.085 1.00 1.04 H new ATOM 0 HB2 GLU A 11 -13.373 -10.576 8.970 1.00 1.19 H new ATOM 0 HB3 GLU A 11 -13.243 -9.802 10.537 1.00 1.19 H new ATOM 0 HG2 GLU A 11 -15.266 -8.695 10.327 1.00 1.29 H new ATOM 0 HG3 GLU A 11 -15.180 -8.627 8.578 1.00 1.29 H new ATOM 175 N GLU A 12 -13.199 -6.596 10.144 1.00 1.07 N ATOM 176 CA GLU A 12 -13.061 -5.530 11.122 1.00 1.10 C ATOM 177 C GLU A 12 -14.458 -5.021 11.490 1.00 1.22 C ATOM 178 O GLU A 12 -15.448 -5.701 11.216 1.00 1.54 O ATOM 179 CB GLU A 12 -12.189 -4.399 10.566 1.00 1.07 C ATOM 180 CG GLU A 12 -11.495 -3.563 11.637 1.00 1.18 C ATOM 181 CD GLU A 12 -11.292 -4.321 12.934 1.00 1.74 C ATOM 182 OE1 GLU A 12 -10.290 -5.057 13.052 1.00 2.23 O ATOM 183 OE2 GLU A 12 -12.140 -4.188 13.840 1.00 2.22 O ATOM 0 H GLU A 12 -14.075 -6.563 9.622 1.00 1.07 H new ATOM 0 HA GLU A 12 -12.568 -5.909 12.017 1.00 1.10 H new ATOM 0 HB2 GLU A 12 -11.433 -4.828 9.908 1.00 1.07 H new ATOM 0 HB3 GLU A 12 -12.809 -3.744 9.954 1.00 1.07 H new ATOM 0 HG2 GLU A 12 -10.528 -3.230 11.261 1.00 1.18 H new ATOM 0 HG3 GLU A 12 -12.086 -2.668 11.833 1.00 1.18 H new ATOM 190 N MET A 13 -14.536 -3.842 12.097 1.00 1.20 N ATOM 191 CA MET A 13 -15.812 -3.263 12.511 1.00 1.31 C ATOM 192 C MET A 13 -16.741 -3.023 11.320 1.00 1.28 C ATOM 193 O MET A 13 -17.760 -3.698 11.171 1.00 1.46 O ATOM 194 CB MET A 13 -15.573 -1.955 13.269 1.00 1.40 C ATOM 195 CG MET A 13 -14.957 -2.154 14.643 1.00 1.63 C ATOM 196 SD MET A 13 -14.621 -0.598 15.491 1.00 1.83 S ATOM 197 CE MET A 13 -14.144 -1.206 17.108 1.00 2.25 C ATOM 0 H MET A 13 -13.725 -3.264 12.315 1.00 1.20 H new ATOM 0 HA MET A 13 -16.303 -3.979 13.170 1.00 1.31 H new ATOM 0 HB2 MET A 13 -14.920 -1.315 12.676 1.00 1.40 H new ATOM 0 HB3 MET A 13 -16.521 -1.429 13.378 1.00 1.40 H new ATOM 0 HG2 MET A 13 -15.629 -2.757 15.253 1.00 1.63 H new ATOM 0 HG3 MET A 13 -14.028 -2.715 14.542 1.00 1.63 H new ATOM 0 HE1 MET A 13 -13.903 -0.364 17.757 1.00 2.25 H new ATOM 0 HE2 MET A 13 -14.968 -1.773 17.541 1.00 2.25 H new ATOM 0 HE3 MET A 13 -13.271 -1.851 17.011 1.00 2.25 H new ATOM 207 N GLU A 14 -16.385 -2.073 10.469 1.00 1.19 N ATOM 208 CA GLU A 14 -17.199 -1.754 9.303 1.00 1.18 C ATOM 209 C GLU A 14 -16.714 -2.528 8.078 1.00 1.09 C ATOM 210 O GLU A 14 -17.491 -2.821 7.172 1.00 1.18 O ATOM 211 CB GLU A 14 -17.170 -0.241 9.043 1.00 1.19 C ATOM 212 CG GLU A 14 -18.065 0.220 7.899 1.00 1.29 C ATOM 213 CD GLU A 14 -19.503 -0.234 8.046 1.00 1.54 C ATOM 214 OE1 GLU A 14 -20.025 -0.223 9.179 1.00 2.13 O ATOM 215 OE2 GLU A 14 -20.116 -0.600 7.021 1.00 2.02 O ATOM 0 H GLU A 14 -15.540 -1.510 10.562 1.00 1.19 H new ATOM 0 HA GLU A 14 -18.229 -2.053 9.500 1.00 1.18 H new ATOM 0 HB2 GLU A 14 -17.470 0.277 9.954 1.00 1.19 H new ATOM 0 HB3 GLU A 14 -16.144 0.059 8.829 1.00 1.19 H new ATOM 0 HG2 GLU A 14 -18.038 1.308 7.841 1.00 1.29 H new ATOM 0 HG3 GLU A 14 -17.665 -0.159 6.958 1.00 1.29 H new ATOM 222 N THR A 15 -15.428 -2.858 8.059 1.00 0.98 N ATOM 223 CA THR A 15 -14.848 -3.603 6.952 1.00 0.90 C ATOM 224 C THR A 15 -15.355 -5.048 6.935 1.00 0.94 C ATOM 225 O THR A 15 -15.094 -5.820 7.863 1.00 0.98 O ATOM 226 CB THR A 15 -13.313 -3.599 7.039 1.00 0.84 C ATOM 227 OG1 THR A 15 -12.872 -2.481 7.822 1.00 0.83 O ATOM 228 CG2 THR A 15 -12.699 -3.523 5.651 1.00 0.91 C ATOM 0 H THR A 15 -14.768 -2.620 8.799 1.00 0.98 H new ATOM 0 HA THR A 15 -15.156 -3.112 6.029 1.00 0.90 H new ATOM 0 HB THR A 15 -12.991 -4.526 7.514 1.00 0.84 H new ATOM 0 HG1 THR A 15 -12.071 -2.091 7.414 1.00 0.83 H new ATOM 0 HG21 THR A 15 -11.612 -3.521 5.734 1.00 0.91 H new ATOM 0 HG22 THR A 15 -13.017 -4.385 5.065 1.00 0.91 H new ATOM 0 HG23 THR A 15 -13.027 -2.608 5.158 1.00 0.91 H new ATOM 236 N PRO A 16 -16.077 -5.438 5.869 1.00 0.97 N ATOM 237 CA PRO A 16 -16.631 -6.789 5.727 1.00 1.04 C ATOM 238 C PRO A 16 -15.583 -7.791 5.248 1.00 0.96 C ATOM 239 O PRO A 16 -15.726 -8.390 4.180 1.00 0.96 O ATOM 240 CB PRO A 16 -17.709 -6.593 4.663 1.00 1.12 C ATOM 241 CG PRO A 16 -17.155 -5.526 3.786 1.00 1.07 C ATOM 242 CD PRO A 16 -16.405 -4.593 4.702 1.00 0.98 C ATOM 0 HA PRO A 16 -17.000 -7.194 6.669 1.00 1.04 H new ATOM 0 HB2 PRO A 16 -17.893 -7.512 4.107 1.00 1.12 H new ATOM 0 HB3 PRO A 16 -18.658 -6.293 5.106 1.00 1.12 H new ATOM 0 HG2 PRO A 16 -16.494 -5.946 3.028 1.00 1.07 H new ATOM 0 HG3 PRO A 16 -17.951 -5.001 3.258 1.00 1.07 H new ATOM 0 HD2 PRO A 16 -15.506 -4.201 4.226 1.00 0.98 H new ATOM 0 HD3 PRO A 16 -17.015 -3.736 4.987 1.00 0.98 H new ATOM 250 N ARG A 17 -14.531 -7.957 6.046 1.00 0.95 N ATOM 251 CA ARG A 17 -13.440 -8.867 5.717 1.00 0.92 C ATOM 252 C ARG A 17 -12.782 -8.440 4.412 1.00 0.82 C ATOM 253 O ARG A 17 -12.829 -9.152 3.419 1.00 0.83 O ATOM 254 CB ARG A 17 -13.942 -10.316 5.638 1.00 1.01 C ATOM 255 CG ARG A 17 -12.928 -11.334 6.134 1.00 1.13 C ATOM 256 CD ARG A 17 -13.532 -12.722 6.265 1.00 1.19 C ATOM 257 NE ARG A 17 -14.489 -12.804 7.366 1.00 1.38 N ATOM 258 CZ ARG A 17 -14.567 -13.826 8.217 1.00 1.67 C ATOM 259 NH1 ARG A 17 -13.771 -14.881 8.082 1.00 1.84 N ATOM 260 NH2 ARG A 17 -15.455 -13.795 9.200 1.00 1.94 N ATOM 0 H ARG A 17 -14.412 -7.467 6.933 1.00 0.95 H new ATOM 0 HA ARG A 17 -12.694 -8.821 6.510 1.00 0.92 H new ATOM 0 HB2 ARG A 17 -14.856 -10.409 6.225 1.00 1.01 H new ATOM 0 HB3 ARG A 17 -14.202 -10.547 4.605 1.00 1.01 H new ATOM 0 HG2 ARG A 17 -12.084 -11.370 5.446 1.00 1.13 H new ATOM 0 HG3 ARG A 17 -12.538 -11.016 7.101 1.00 1.13 H new ATOM 0 HD2 ARG A 17 -14.029 -12.990 5.333 1.00 1.19 H new ATOM 0 HD3 ARG A 17 -12.736 -13.450 6.422 1.00 1.19 H new ATOM 0 HE ARG A 17 -15.140 -12.028 7.491 1.00 1.38 H new ATOM 0 HH11 ARG A 17 -13.092 -14.914 7.321 1.00 1.84 H new ATOM 0 HH12 ARG A 17 -13.839 -15.658 8.739 1.00 1.84 H new ATOM 0 HH21 ARG A 17 -16.075 -12.991 9.302 1.00 1.94 H new ATOM 0 HH22 ARG A 17 -15.519 -14.575 9.854 1.00 1.94 H new ATOM 274 N LEU A 18 -12.144 -7.273 4.439 1.00 0.75 N ATOM 275 CA LEU A 18 -11.499 -6.721 3.254 1.00 0.67 C ATOM 276 C LEU A 18 -10.120 -6.133 3.575 1.00 0.63 C ATOM 277 O LEU A 18 -9.984 -5.307 4.479 1.00 0.66 O ATOM 278 CB LEU A 18 -12.390 -5.623 2.662 1.00 0.65 C ATOM 279 CG LEU A 18 -12.921 -5.879 1.249 1.00 0.64 C ATOM 280 CD1 LEU A 18 -13.957 -6.992 1.256 1.00 0.78 C ATOM 281 CD2 LEU A 18 -13.519 -4.605 0.670 1.00 0.66 C ATOM 0 H LEU A 18 -12.060 -6.691 5.272 1.00 0.75 H new ATOM 0 HA LEU A 18 -11.359 -7.532 2.539 1.00 0.67 H new ATOM 0 HB2 LEU A 18 -13.241 -5.475 3.327 1.00 0.65 H new ATOM 0 HB3 LEU A 18 -11.826 -4.690 2.653 1.00 0.65 H new ATOM 0 HG LEU A 18 -12.086 -6.192 0.621 1.00 0.64 H new ATOM 0 HD11 LEU A 18 -14.321 -7.157 0.242 1.00 0.78 H new ATOM 0 HD12 LEU A 18 -13.503 -7.909 1.632 1.00 0.78 H new ATOM 0 HD13 LEU A 18 -14.791 -6.709 1.899 1.00 0.78 H new ATOM 0 HD21 LEU A 18 -13.892 -4.802 -0.335 1.00 0.66 H new ATOM 0 HD22 LEU A 18 -14.340 -4.268 1.303 1.00 0.66 H new ATOM 0 HD23 LEU A 18 -12.753 -3.831 0.627 1.00 0.66 H new ATOM 293 N SER A 19 -9.107 -6.566 2.834 1.00 0.63 N ATOM 294 CA SER A 19 -7.747 -6.058 3.001 1.00 0.64 C ATOM 295 C SER A 19 -7.164 -5.731 1.630 1.00 0.61 C ATOM 296 O SER A 19 -7.684 -6.185 0.609 1.00 0.70 O ATOM 297 CB SER A 19 -6.853 -7.058 3.746 1.00 0.77 C ATOM 298 OG SER A 19 -7.302 -8.389 3.578 1.00 1.44 O ATOM 0 H SER A 19 -9.201 -7.274 2.105 1.00 0.63 H new ATOM 0 HA SER A 19 -7.786 -5.154 3.609 1.00 0.64 H new ATOM 0 HB2 SER A 19 -5.829 -6.971 3.383 1.00 0.77 H new ATOM 0 HB3 SER A 19 -6.837 -6.811 4.807 1.00 0.77 H new ATOM 0 HG SER A 19 -7.301 -8.846 4.445 1.00 1.44 H new ATOM 304 N VAL A 20 -6.104 -4.942 1.604 1.00 0.55 N ATOM 305 CA VAL A 20 -5.487 -4.542 0.349 1.00 0.56 C ATOM 306 C VAL A 20 -4.026 -4.980 0.265 1.00 0.67 C ATOM 307 O VAL A 20 -3.340 -5.118 1.282 1.00 0.73 O ATOM 308 CB VAL A 20 -5.571 -3.010 0.167 1.00 0.49 C ATOM 309 CG1 VAL A 20 -4.666 -2.301 1.163 1.00 0.55 C ATOM 310 CG2 VAL A 20 -5.229 -2.606 -1.261 1.00 0.53 C ATOM 0 H VAL A 20 -5.652 -4.565 2.437 1.00 0.55 H new ATOM 0 HA VAL A 20 -6.039 -5.039 -0.449 1.00 0.56 H new ATOM 0 HB VAL A 20 -6.599 -2.704 0.361 1.00 0.49 H new ATOM 0 HG11 VAL A 20 -4.740 -1.223 1.018 1.00 0.55 H new ATOM 0 HG12 VAL A 20 -4.974 -2.553 2.178 1.00 0.55 H new ATOM 0 HG13 VAL A 20 -3.635 -2.618 1.008 1.00 0.55 H new ATOM 0 HG21 VAL A 20 -5.297 -1.522 -1.359 1.00 0.53 H new ATOM 0 HG22 VAL A 20 -4.215 -2.929 -1.498 1.00 0.53 H new ATOM 0 HG23 VAL A 20 -5.930 -3.077 -1.950 1.00 0.53 H new ATOM 320 N ILE A 21 -3.562 -5.198 -0.961 1.00 0.73 N ATOM 321 CA ILE A 21 -2.188 -5.596 -1.203 1.00 0.86 C ATOM 322 C ILE A 21 -1.325 -4.367 -1.484 1.00 0.87 C ATOM 323 O ILE A 21 -1.416 -3.761 -2.556 1.00 0.88 O ATOM 324 CB ILE A 21 -2.083 -6.582 -2.390 1.00 0.96 C ATOM 325 CG1 ILE A 21 -2.747 -7.914 -2.033 1.00 0.98 C ATOM 326 CG2 ILE A 21 -0.629 -6.801 -2.785 1.00 1.11 C ATOM 327 CD1 ILE A 21 -2.724 -8.928 -3.156 1.00 1.10 C ATOM 0 H ILE A 21 -4.126 -5.104 -1.806 1.00 0.73 H new ATOM 0 HA ILE A 21 -1.829 -6.100 -0.306 1.00 0.86 H new ATOM 0 HB ILE A 21 -2.605 -6.149 -3.243 1.00 0.96 H new ATOM 0 HG12 ILE A 21 -2.245 -8.338 -1.163 1.00 0.98 H new ATOM 0 HG13 ILE A 21 -3.782 -7.728 -1.745 1.00 0.98 H new ATOM 0 HG21 ILE A 21 -0.580 -7.498 -3.622 1.00 1.11 H new ATOM 0 HG22 ILE A 21 -0.185 -5.850 -3.079 1.00 1.11 H new ATOM 0 HG23 ILE A 21 -0.080 -7.212 -1.938 1.00 1.11 H new ATOM 0 HD11 ILE A 21 -3.213 -9.845 -2.828 1.00 1.10 H new ATOM 0 HD12 ILE A 21 -3.251 -8.525 -4.021 1.00 1.10 H new ATOM 0 HD13 ILE A 21 -1.691 -9.145 -3.430 1.00 1.10 H new ATOM 339 N VAL A 22 -0.511 -3.992 -0.509 1.00 0.89 N ATOM 340 CA VAL A 22 0.376 -2.848 -0.650 1.00 0.93 C ATOM 341 C VAL A 22 1.701 -3.308 -1.237 1.00 1.07 C ATOM 342 O VAL A 22 2.437 -4.071 -0.610 1.00 1.15 O ATOM 343 CB VAL A 22 0.631 -2.143 0.700 1.00 0.92 C ATOM 344 CG1 VAL A 22 1.437 -0.867 0.493 1.00 0.97 C ATOM 345 CG2 VAL A 22 -0.682 -1.842 1.406 1.00 0.80 C ATOM 0 H VAL A 22 -0.447 -4.466 0.392 1.00 0.89 H new ATOM 0 HA VAL A 22 -0.108 -2.131 -1.313 1.00 0.93 H new ATOM 0 HB VAL A 22 1.210 -2.815 1.333 1.00 0.92 H new ATOM 0 HG11 VAL A 22 1.607 -0.384 1.455 1.00 0.97 H new ATOM 0 HG12 VAL A 22 2.396 -1.112 0.036 1.00 0.97 H new ATOM 0 HG13 VAL A 22 0.886 -0.191 -0.160 1.00 0.97 H new ATOM 0 HG21 VAL A 22 -0.479 -1.345 2.355 1.00 0.80 H new ATOM 0 HG22 VAL A 22 -1.292 -1.191 0.779 1.00 0.80 H new ATOM 0 HG23 VAL A 22 -1.217 -2.773 1.591 1.00 0.80 H new ATOM 355 N THR A 23 1.994 -2.854 -2.442 1.00 1.12 N ATOM 356 CA THR A 23 3.218 -3.242 -3.114 1.00 1.26 C ATOM 357 C THR A 23 4.218 -2.092 -3.187 1.00 1.32 C ATOM 358 O THR A 23 3.918 -1.013 -3.702 1.00 1.28 O ATOM 359 CB THR A 23 2.925 -3.753 -4.536 1.00 1.33 C ATOM 360 OG1 THR A 23 1.813 -4.661 -4.504 1.00 1.89 O ATOM 361 CG2 THR A 23 4.144 -4.453 -5.122 1.00 1.63 C ATOM 0 H THR A 23 1.401 -2.217 -2.974 1.00 1.12 H new ATOM 0 HA THR A 23 3.660 -4.044 -2.523 1.00 1.26 H new ATOM 0 HB THR A 23 2.682 -2.898 -5.167 1.00 1.33 H new ATOM 0 HG1 THR A 23 1.628 -4.983 -5.411 1.00 1.89 H new ATOM 0 HG21 THR A 23 3.913 -4.806 -6.127 1.00 1.63 H new ATOM 0 HG22 THR A 23 4.979 -3.754 -5.166 1.00 1.63 H new ATOM 0 HG23 THR A 23 4.414 -5.301 -4.493 1.00 1.63 H new ATOM 369 N HIS A 24 5.404 -2.338 -2.654 1.00 1.45 N ATOM 370 CA HIS A 24 6.481 -1.363 -2.664 1.00 1.54 C ATOM 371 C HIS A 24 7.683 -1.963 -3.389 1.00 1.61 C ATOM 372 O HIS A 24 8.642 -2.411 -2.762 1.00 1.63 O ATOM 373 CB HIS A 24 6.840 -0.942 -1.225 1.00 1.58 C ATOM 374 CG HIS A 24 8.023 -0.020 -1.119 1.00 1.68 C ATOM 375 ND1 HIS A 24 8.942 -0.091 -0.090 1.00 1.78 N ATOM 376 CD2 HIS A 24 8.429 0.998 -1.913 1.00 1.75 C ATOM 377 CE1 HIS A 24 9.859 0.845 -0.259 1.00 1.88 C ATOM 378 NE2 HIS A 24 9.571 1.516 -1.358 1.00 1.86 N ATOM 0 H HIS A 24 5.647 -3.220 -2.202 1.00 1.45 H new ATOM 0 HA HIS A 24 6.164 -0.464 -3.193 1.00 1.54 H new ATOM 0 HB2 HIS A 24 5.975 -0.454 -0.777 1.00 1.58 H new ATOM 0 HB3 HIS A 24 7.041 -1.838 -0.638 1.00 1.58 H new ATOM 0 HD2 HIS A 24 7.944 1.339 -2.816 1.00 1.75 H new ATOM 0 HE1 HIS A 24 10.701 1.030 0.392 1.00 1.88 H new ATOM 0 HE2 HIS A 24 10.111 2.295 -1.734 1.00 1.86 H new ATOM 387 N SER A 25 7.586 -2.002 -4.717 1.00 1.68 N ATOM 388 CA SER A 25 8.635 -2.550 -5.582 1.00 1.77 C ATOM 389 C SER A 25 8.792 -4.066 -5.375 1.00 1.80 C ATOM 390 O SER A 25 8.183 -4.863 -6.093 1.00 1.90 O ATOM 391 CB SER A 25 9.964 -1.819 -5.352 1.00 1.78 C ATOM 392 OG SER A 25 9.775 -0.412 -5.353 1.00 1.90 O ATOM 0 H SER A 25 6.775 -1.653 -5.228 1.00 1.68 H new ATOM 0 HA SER A 25 8.336 -2.390 -6.618 1.00 1.77 H new ATOM 0 HB2 SER A 25 10.396 -2.131 -4.401 1.00 1.78 H new ATOM 0 HB3 SER A 25 10.675 -2.095 -6.131 1.00 1.78 H new ATOM 0 HG SER A 25 10.635 0.034 -5.203 1.00 1.90 H new ATOM 398 N ASN A 26 9.592 -4.460 -4.391 1.00 1.77 N ATOM 399 CA ASN A 26 9.806 -5.875 -4.096 1.00 1.82 C ATOM 400 C ASN A 26 9.341 -6.177 -2.676 1.00 1.75 C ATOM 401 O ASN A 26 9.565 -7.261 -2.137 1.00 1.87 O ATOM 402 CB ASN A 26 11.282 -6.241 -4.262 1.00 1.95 C ATOM 403 CG ASN A 26 11.492 -7.711 -4.581 1.00 2.06 C ATOM 404 OD1 ASN A 26 10.608 -8.544 -4.372 1.00 2.28 O ATOM 405 ND2 ASN A 26 12.667 -8.042 -5.085 1.00 2.32 N ATOM 0 H ASN A 26 10.104 -3.821 -3.783 1.00 1.77 H new ATOM 0 HA ASN A 26 9.226 -6.475 -4.798 1.00 1.82 H new ATOM 0 HB2 ASN A 26 11.714 -5.636 -5.059 1.00 1.95 H new ATOM 0 HB3 ASN A 26 11.818 -5.992 -3.346 1.00 1.95 H new ATOM 0 HD21 ASN A 26 12.867 -9.015 -5.315 1.00 2.32 H new ATOM 0 HD22 ASN A 26 13.374 -7.324 -5.244 1.00 2.32 H new ATOM 412 N GLU A 27 8.703 -5.189 -2.078 1.00 1.66 N ATOM 413 CA GLU A 27 8.188 -5.302 -0.728 1.00 1.60 C ATOM 414 C GLU A 27 6.679 -5.513 -0.760 1.00 1.47 C ATOM 415 O GLU A 27 5.949 -4.760 -1.410 1.00 1.48 O ATOM 416 CB GLU A 27 8.547 -4.040 0.053 1.00 1.63 C ATOM 417 CG GLU A 27 7.755 -3.837 1.330 1.00 1.89 C ATOM 418 CD GLU A 27 7.943 -2.445 1.885 1.00 1.91 C ATOM 419 OE1 GLU A 27 9.108 -2.011 2.022 1.00 2.24 O ATOM 420 OE2 GLU A 27 6.932 -1.771 2.153 1.00 2.14 O ATOM 0 H GLU A 27 8.527 -4.285 -2.516 1.00 1.66 H new ATOM 0 HA GLU A 27 8.637 -6.163 -0.232 1.00 1.60 H new ATOM 0 HB2 GLU A 27 9.608 -4.072 0.301 1.00 1.63 H new ATOM 0 HB3 GLU A 27 8.397 -3.175 -0.593 1.00 1.63 H new ATOM 0 HG2 GLU A 27 6.697 -4.012 1.134 1.00 1.89 H new ATOM 0 HG3 GLU A 27 8.067 -4.571 2.073 1.00 1.89 H new ATOM 427 N ARG A 28 6.221 -6.539 -0.063 1.00 1.44 N ATOM 428 CA ARG A 28 4.806 -6.856 -0.021 1.00 1.33 C ATOM 429 C ARG A 28 4.243 -6.644 1.377 1.00 1.28 C ATOM 430 O ARG A 28 4.724 -7.228 2.346 1.00 1.36 O ATOM 431 CB ARG A 28 4.580 -8.300 -0.465 1.00 1.41 C ATOM 432 CG ARG A 28 3.801 -8.417 -1.763 1.00 1.45 C ATOM 433 CD ARG A 28 2.328 -8.109 -1.554 1.00 1.48 C ATOM 434 NE ARG A 28 1.587 -9.286 -1.100 1.00 1.48 N ATOM 435 CZ ARG A 28 0.644 -9.270 -0.156 1.00 1.51 C ATOM 436 NH1 ARG A 28 0.304 -8.141 0.448 1.00 1.47 N ATOM 437 NH2 ARG A 28 0.035 -10.395 0.187 1.00 1.92 N ATOM 0 H ARG A 28 6.811 -7.167 0.482 1.00 1.44 H new ATOM 0 HA ARG A 28 4.284 -6.186 -0.704 1.00 1.33 H new ATOM 0 HB2 ARG A 28 5.546 -8.791 -0.584 1.00 1.41 H new ATOM 0 HB3 ARG A 28 4.045 -8.834 0.320 1.00 1.41 H new ATOM 0 HG2 ARG A 28 4.217 -7.732 -2.502 1.00 1.45 H new ATOM 0 HG3 ARG A 28 3.910 -9.424 -2.165 1.00 1.45 H new ATOM 0 HD2 ARG A 28 2.224 -7.309 -0.821 1.00 1.48 H new ATOM 0 HD3 ARG A 28 1.897 -7.745 -2.487 1.00 1.48 H new ATOM 0 HE ARG A 28 1.807 -10.182 -1.536 1.00 1.48 H new ATOM 0 HH11 ARG A 28 0.765 -7.267 0.193 1.00 1.47 H new ATOM 0 HH12 ARG A 28 -0.419 -8.145 1.168 1.00 1.47 H new ATOM 0 HH21 ARG A 28 0.287 -11.271 -0.270 1.00 1.92 H new ATOM 0 HH22 ARG A 28 -0.686 -10.385 0.908 1.00 1.92 H new ATOM 451 N TYR A 29 3.229 -5.798 1.477 1.00 1.17 N ATOM 452 CA TYR A 29 2.596 -5.512 2.756 1.00 1.13 C ATOM 453 C TYR A 29 1.080 -5.607 2.640 1.00 1.01 C ATOM 454 O TYR A 29 0.524 -5.450 1.552 1.00 1.00 O ATOM 455 CB TYR A 29 3.004 -4.120 3.242 1.00 1.13 C ATOM 456 CG TYR A 29 3.539 -4.107 4.656 1.00 1.30 C ATOM 457 CD1 TYR A 29 4.654 -4.860 5.005 1.00 1.60 C ATOM 458 CD2 TYR A 29 2.925 -3.346 5.641 1.00 1.52 C ATOM 459 CE1 TYR A 29 5.140 -4.854 6.298 1.00 1.88 C ATOM 460 CE2 TYR A 29 3.407 -3.337 6.935 1.00 1.82 C ATOM 461 CZ TYR A 29 4.513 -4.091 7.258 1.00 1.91 C ATOM 462 OH TYR A 29 4.991 -4.085 8.548 1.00 2.29 O ATOM 0 H TYR A 29 2.826 -5.296 0.686 1.00 1.17 H new ATOM 0 HA TYR A 29 2.930 -6.253 3.482 1.00 1.13 H new ATOM 0 HB2 TYR A 29 3.763 -3.718 2.571 1.00 1.13 H new ATOM 0 HB3 TYR A 29 2.142 -3.456 3.182 1.00 1.13 H new ATOM 0 HD1 TYR A 29 5.148 -5.459 4.254 1.00 1.60 H new ATOM 0 HD2 TYR A 29 2.058 -2.752 5.392 1.00 1.52 H new ATOM 0 HE1 TYR A 29 6.007 -5.444 6.555 1.00 1.88 H new ATOM 0 HE2 TYR A 29 2.918 -2.741 7.691 1.00 1.82 H new ATOM 0 HH TYR A 29 4.436 -3.495 9.100 1.00 2.29 H new ATOM 472 N ASP A 30 0.424 -5.871 3.758 1.00 0.98 N ATOM 473 CA ASP A 30 -1.028 -5.987 3.791 1.00 0.90 C ATOM 474 C ASP A 30 -1.611 -4.934 4.721 1.00 0.84 C ATOM 475 O ASP A 30 -1.044 -4.650 5.777 1.00 0.96 O ATOM 476 CB ASP A 30 -1.454 -7.384 4.255 1.00 0.97 C ATOM 477 CG ASP A 30 -2.150 -8.173 3.163 1.00 1.07 C ATOM 478 OD1 ASP A 30 -1.445 -8.782 2.327 1.00 1.28 O ATOM 479 OD2 ASP A 30 -3.398 -8.203 3.143 1.00 1.34 O ATOM 0 H ASP A 30 0.876 -6.010 4.662 1.00 0.98 H new ATOM 0 HA ASP A 30 -1.408 -5.829 2.782 1.00 0.90 H new ATOM 0 HB2 ASP A 30 -0.576 -7.934 4.593 1.00 0.97 H new ATOM 0 HB3 ASP A 30 -2.121 -7.291 5.112 1.00 0.97 H new ATOM 484 N LEU A 31 -2.729 -4.349 4.324 1.00 0.71 N ATOM 485 CA LEU A 31 -3.380 -3.324 5.129 1.00 0.66 C ATOM 486 C LEU A 31 -4.892 -3.471 5.037 1.00 0.58 C ATOM 487 O LEU A 31 -5.409 -4.008 4.059 1.00 0.59 O ATOM 488 CB LEU A 31 -2.942 -1.930 4.657 1.00 0.66 C ATOM 489 CG LEU A 31 -2.789 -0.857 5.751 1.00 0.77 C ATOM 490 CD1 LEU A 31 -4.108 -0.143 6.006 1.00 0.95 C ATOM 491 CD2 LEU A 31 -2.259 -1.466 7.045 1.00 0.98 C ATOM 0 H LEU A 31 -3.206 -4.565 3.449 1.00 0.71 H new ATOM 0 HA LEU A 31 -3.084 -3.446 6.171 1.00 0.66 H new ATOM 0 HB2 LEU A 31 -1.988 -2.028 4.138 1.00 0.66 H new ATOM 0 HB3 LEU A 31 -3.667 -1.573 3.926 1.00 0.66 H new ATOM 0 HG LEU A 31 -2.065 -0.124 5.394 1.00 0.77 H new ATOM 0 HD11 LEU A 31 -3.970 0.609 6.783 1.00 0.95 H new ATOM 0 HD12 LEU A 31 -4.443 0.340 5.088 1.00 0.95 H new ATOM 0 HD13 LEU A 31 -4.857 -0.866 6.330 1.00 0.95 H new ATOM 0 HD21 LEU A 31 -2.161 -0.686 7.800 1.00 0.98 H new ATOM 0 HD22 LEU A 31 -2.953 -2.229 7.399 1.00 0.98 H new ATOM 0 HD23 LEU A 31 -1.285 -1.919 6.862 1.00 0.98 H new ATOM 503 N LEU A 32 -5.590 -3.009 6.060 1.00 0.55 N ATOM 504 CA LEU A 32 -7.044 -3.085 6.098 1.00 0.52 C ATOM 505 C LEU A 32 -7.662 -1.954 5.280 1.00 0.43 C ATOM 506 O LEU A 32 -7.164 -0.831 5.295 1.00 0.43 O ATOM 507 CB LEU A 32 -7.533 -3.002 7.544 1.00 0.60 C ATOM 508 CG LEU A 32 -9.048 -3.089 7.727 1.00 0.73 C ATOM 509 CD1 LEU A 32 -9.484 -4.539 7.876 1.00 0.94 C ATOM 510 CD2 LEU A 32 -9.481 -2.268 8.929 1.00 0.85 C ATOM 0 H LEU A 32 -5.171 -2.574 6.882 1.00 0.55 H new ATOM 0 HA LEU A 32 -7.352 -4.038 5.666 1.00 0.52 H new ATOM 0 HB2 LEU A 32 -7.068 -3.806 8.114 1.00 0.60 H new ATOM 0 HB3 LEU A 32 -7.185 -2.063 7.975 1.00 0.60 H new ATOM 0 HG LEU A 32 -9.531 -2.679 6.840 1.00 0.73 H new ATOM 0 HD11 LEU A 32 -10.565 -4.582 8.005 1.00 0.94 H new ATOM 0 HD12 LEU A 32 -9.203 -5.097 6.983 1.00 0.94 H new ATOM 0 HD13 LEU A 32 -8.997 -4.978 8.747 1.00 0.94 H new ATOM 0 HD21 LEU A 32 -10.562 -2.339 9.048 1.00 0.85 H new ATOM 0 HD22 LEU A 32 -8.992 -2.649 9.825 1.00 0.85 H new ATOM 0 HD23 LEU A 32 -9.200 -1.226 8.778 1.00 0.85 H new ATOM 522 N VAL A 33 -8.743 -2.259 4.573 1.00 0.41 N ATOM 523 CA VAL A 33 -9.432 -1.266 3.751 1.00 0.36 C ATOM 524 C VAL A 33 -10.085 -0.203 4.633 1.00 0.41 C ATOM 525 O VAL A 33 -10.516 -0.502 5.749 1.00 0.51 O ATOM 526 CB VAL A 33 -10.499 -1.937 2.855 1.00 0.39 C ATOM 527 CG1 VAL A 33 -11.241 -0.916 2.004 1.00 0.49 C ATOM 528 CG2 VAL A 33 -9.856 -2.992 1.973 1.00 0.56 C ATOM 0 H VAL A 33 -9.164 -3.188 4.551 1.00 0.41 H new ATOM 0 HA VAL A 33 -8.692 -0.788 3.109 1.00 0.36 H new ATOM 0 HB VAL A 33 -11.229 -2.415 3.509 1.00 0.39 H new ATOM 0 HG11 VAL A 33 -11.982 -1.425 1.388 1.00 0.49 H new ATOM 0 HG12 VAL A 33 -11.741 -0.196 2.652 1.00 0.49 H new ATOM 0 HG13 VAL A 33 -10.532 -0.394 1.361 1.00 0.49 H new ATOM 0 HG21 VAL A 33 -10.618 -3.457 1.347 1.00 0.56 H new ATOM 0 HG22 VAL A 33 -9.101 -2.526 1.340 1.00 0.56 H new ATOM 0 HG23 VAL A 33 -9.387 -3.752 2.598 1.00 0.56 H new ATOM 538 N THR A 34 -10.142 1.028 4.141 1.00 0.39 N ATOM 539 CA THR A 34 -10.743 2.127 4.880 1.00 0.48 C ATOM 540 C THR A 34 -12.243 2.210 4.594 1.00 0.59 C ATOM 541 O THR A 34 -12.658 2.675 3.531 1.00 0.65 O ATOM 542 CB THR A 34 -10.083 3.467 4.515 1.00 0.51 C ATOM 543 OG1 THR A 34 -8.739 3.242 4.065 1.00 0.49 O ATOM 544 CG2 THR A 34 -10.073 4.406 5.712 1.00 0.64 C ATOM 0 H THR A 34 -9.776 1.290 3.226 1.00 0.39 H new ATOM 0 HA THR A 34 -10.586 1.934 5.941 1.00 0.48 H new ATOM 0 HB THR A 34 -10.661 3.930 3.715 1.00 0.51 H new ATOM 0 HG1 THR A 34 -8.754 2.902 3.146 1.00 0.49 H new ATOM 0 HG21 THR A 34 -9.602 5.348 5.432 1.00 0.64 H new ATOM 0 HG22 THR A 34 -11.097 4.595 6.035 1.00 0.64 H new ATOM 0 HG23 THR A 34 -9.513 3.949 6.528 1.00 0.64 H new ATOM 552 N PRO A 35 -13.076 1.759 5.543 1.00 0.73 N ATOM 553 CA PRO A 35 -14.521 1.762 5.389 1.00 0.89 C ATOM 554 C PRO A 35 -15.156 3.067 5.877 1.00 0.93 C ATOM 555 O PRO A 35 -14.902 4.127 5.309 1.00 0.93 O ATOM 556 CB PRO A 35 -14.924 0.573 6.257 1.00 1.07 C ATOM 557 CG PRO A 35 -13.941 0.581 7.383 1.00 1.07 C ATOM 558 CD PRO A 35 -12.676 1.212 6.852 1.00 0.82 C ATOM 0 HA PRO A 35 -14.850 1.688 4.353 1.00 0.89 H new ATOM 0 HB2 PRO A 35 -15.946 0.676 6.622 1.00 1.07 H new ATOM 0 HB3 PRO A 35 -14.878 -0.361 5.697 1.00 1.07 H new ATOM 0 HG2 PRO A 35 -14.329 1.146 8.231 1.00 1.07 H new ATOM 0 HG3 PRO A 35 -13.749 -0.432 7.736 1.00 1.07 H new ATOM 0 HD2 PRO A 35 -12.310 1.994 7.517 1.00 0.82 H new ATOM 0 HD3 PRO A 35 -11.876 0.479 6.751 1.00 0.82 H new ATOM 566 N GLN A 36 -15.979 2.981 6.933 1.00 1.02 N ATOM 567 CA GLN A 36 -16.658 4.147 7.510 1.00 1.13 C ATOM 568 C GLN A 36 -17.595 4.797 6.492 1.00 1.16 C ATOM 569 O GLN A 36 -18.053 5.925 6.682 1.00 1.24 O ATOM 570 CB GLN A 36 -15.638 5.178 8.012 1.00 1.16 C ATOM 571 CG GLN A 36 -14.612 4.615 8.984 1.00 1.38 C ATOM 572 CD GLN A 36 -13.470 5.581 9.245 1.00 1.95 C ATOM 573 OE1 GLN A 36 -13.652 6.797 9.207 1.00 2.47 O ATOM 574 NE2 GLN A 36 -12.285 5.051 9.501 1.00 2.33 N ATOM 0 H GLN A 36 -16.191 2.104 7.408 1.00 1.02 H new ATOM 0 HA GLN A 36 -17.252 3.798 8.355 1.00 1.13 H new ATOM 0 HB2 GLN A 36 -15.116 5.603 7.155 1.00 1.16 H new ATOM 0 HB3 GLN A 36 -16.172 5.995 8.497 1.00 1.16 H new ATOM 0 HG2 GLN A 36 -15.103 4.374 9.927 1.00 1.38 H new ATOM 0 HG3 GLN A 36 -14.212 3.683 8.586 1.00 1.38 H new ATOM 0 HE21 GLN A 36 -12.174 4.037 9.524 1.00 2.33 H new ATOM 0 HE22 GLN A 36 -11.483 5.656 9.675 1.00 2.33 H new ATOM 583 N GLN A 37 -17.885 4.073 5.420 1.00 1.15 N ATOM 584 CA GLN A 37 -18.753 4.575 4.367 1.00 1.23 C ATOM 585 C GLN A 37 -19.838 3.557 4.036 1.00 1.30 C ATOM 586 O GLN A 37 -20.948 3.622 4.567 1.00 1.64 O ATOM 587 CB GLN A 37 -17.929 4.899 3.120 1.00 1.16 C ATOM 588 CG GLN A 37 -18.101 6.324 2.630 1.00 1.33 C ATOM 589 CD GLN A 37 -19.452 6.559 1.989 1.00 1.52 C ATOM 590 OE1 GLN A 37 -20.036 5.655 1.392 1.00 1.79 O ATOM 591 NE2 GLN A 37 -19.961 7.771 2.114 1.00 1.82 N ATOM 0 H GLN A 37 -17.529 3.131 5.257 1.00 1.15 H new ATOM 0 HA GLN A 37 -19.236 5.487 4.718 1.00 1.23 H new ATOM 0 HB2 GLN A 37 -16.875 4.723 3.336 1.00 1.16 H new ATOM 0 HB3 GLN A 37 -18.210 4.213 2.321 1.00 1.16 H new ATOM 0 HG2 GLN A 37 -17.976 7.010 3.468 1.00 1.33 H new ATOM 0 HG3 GLN A 37 -17.316 6.554 1.910 1.00 1.33 H new ATOM 0 HE21 GLN A 37 -19.444 8.492 2.617 1.00 1.82 H new ATOM 0 HE22 GLN A 37 -20.871 7.986 1.708 1.00 1.82 H new ATOM 600 N GLY A 38 -19.511 2.607 3.176 1.00 1.14 N ATOM 601 CA GLY A 38 -20.472 1.596 2.799 1.00 1.21 C ATOM 602 C GLY A 38 -19.838 0.233 2.679 1.00 1.14 C ATOM 603 O GLY A 38 -19.779 -0.320 1.583 1.00 1.17 O ATOM 0 H GLY A 38 -18.597 2.518 2.732 1.00 1.14 H new ATOM 0 HA2 GLY A 38 -21.271 1.561 3.540 1.00 1.21 H new ATOM 0 HA3 GLY A 38 -20.931 1.868 1.848 1.00 1.21 H new ATOM 607 N ASN A 39 -19.385 -0.301 3.820 1.00 1.13 N ATOM 608 CA ASN A 39 -18.727 -1.616 3.911 1.00 1.11 C ATOM 609 C ASN A 39 -17.726 -1.866 2.776 1.00 0.97 C ATOM 610 O ASN A 39 -16.564 -1.481 2.887 1.00 0.89 O ATOM 611 CB ASN A 39 -19.739 -2.775 4.017 1.00 1.30 C ATOM 612 CG ASN A 39 -21.021 -2.558 3.237 1.00 1.40 C ATOM 613 OD1 ASN A 39 -21.085 -2.817 2.035 1.00 1.84 O ATOM 614 ND2 ASN A 39 -22.054 -2.090 3.919 1.00 1.70 N ATOM 0 H ASN A 39 -19.465 0.172 4.720 1.00 1.13 H new ATOM 0 HA ASN A 39 -18.157 -1.588 4.840 1.00 1.11 H new ATOM 0 HB2 ASN A 39 -19.264 -3.690 3.664 1.00 1.30 H new ATOM 0 HB3 ASN A 39 -19.988 -2.929 5.067 1.00 1.30 H new ATOM 0 HD21 ASN A 39 -22.945 -1.931 3.449 1.00 1.70 H new ATOM 0 HD22 ASN A 39 -21.959 -1.888 4.914 1.00 1.70 H new ATOM 621 N SER A 40 -18.169 -2.512 1.695 1.00 1.02 N ATOM 622 CA SER A 40 -17.296 -2.810 0.561 1.00 0.95 C ATOM 623 C SER A 40 -16.836 -1.532 -0.142 1.00 0.87 C ATOM 624 O SER A 40 -15.805 -1.518 -0.807 1.00 0.82 O ATOM 625 CB SER A 40 -18.030 -3.715 -0.432 1.00 1.07 C ATOM 626 OG SER A 40 -19.012 -4.503 0.225 1.00 1.30 O ATOM 0 H SER A 40 -19.129 -2.839 1.583 1.00 1.02 H new ATOM 0 HA SER A 40 -16.411 -3.321 0.940 1.00 0.95 H new ATOM 0 HB2 SER A 40 -18.503 -3.106 -1.203 1.00 1.07 H new ATOM 0 HB3 SER A 40 -17.314 -4.365 -0.935 1.00 1.07 H new ATOM 0 HG SER A 40 -19.468 -5.071 -0.431 1.00 1.30 H new ATOM 632 N GLU A 41 -17.611 -0.466 0.014 1.00 0.92 N ATOM 633 CA GLU A 41 -17.295 0.815 -0.600 1.00 0.88 C ATOM 634 C GLU A 41 -16.410 1.641 0.328 1.00 0.81 C ATOM 635 O GLU A 41 -16.861 2.086 1.392 1.00 0.90 O ATOM 636 CB GLU A 41 -18.586 1.575 -0.908 1.00 1.02 C ATOM 637 CG GLU A 41 -18.506 2.460 -2.141 1.00 1.34 C ATOM 638 CD GLU A 41 -19.875 2.864 -2.643 1.00 1.49 C ATOM 639 OE1 GLU A 41 -20.728 1.969 -2.829 1.00 1.83 O ATOM 640 OE2 GLU A 41 -20.110 4.071 -2.858 1.00 1.73 O ATOM 0 H GLU A 41 -18.469 -0.465 0.565 1.00 0.92 H new ATOM 0 HA GLU A 41 -16.755 0.637 -1.530 1.00 0.88 H new ATOM 0 HB2 GLU A 41 -19.395 0.857 -1.041 1.00 1.02 H new ATOM 0 HB3 GLU A 41 -18.846 2.192 -0.048 1.00 1.02 H new ATOM 0 HG2 GLU A 41 -17.928 3.354 -1.908 1.00 1.34 H new ATOM 0 HG3 GLU A 41 -17.972 1.932 -2.931 1.00 1.34 H new ATOM 647 N PRO A 42 -15.136 1.834 -0.047 1.00 0.69 N ATOM 648 CA PRO A 42 -14.186 2.604 0.742 1.00 0.67 C ATOM 649 C PRO A 42 -14.299 4.103 0.484 1.00 0.69 C ATOM 650 O PRO A 42 -14.886 4.533 -0.511 1.00 0.77 O ATOM 651 CB PRO A 42 -12.815 2.092 0.272 1.00 0.60 C ATOM 652 CG PRO A 42 -13.075 1.141 -0.861 1.00 0.62 C ATOM 653 CD PRO A 42 -14.510 1.319 -1.267 1.00 0.64 C ATOM 0 HA PRO A 42 -14.359 2.477 1.811 1.00 0.67 H new ATOM 0 HB2 PRO A 42 -12.184 2.919 -0.054 1.00 0.60 H new ATOM 0 HB3 PRO A 42 -12.289 1.591 1.085 1.00 0.60 H new ATOM 0 HG2 PRO A 42 -12.409 1.349 -1.699 1.00 0.62 H new ATOM 0 HG3 PRO A 42 -12.887 0.113 -0.552 1.00 0.62 H new ATOM 0 HD2 PRO A 42 -14.611 2.017 -2.098 1.00 0.64 H new ATOM 0 HD3 PRO A 42 -14.959 0.378 -1.585 1.00 0.64 H new ATOM 661 N VAL A 43 -13.735 4.895 1.385 1.00 0.67 N ATOM 662 CA VAL A 43 -13.759 6.347 1.249 1.00 0.72 C ATOM 663 C VAL A 43 -12.773 6.797 0.173 1.00 0.65 C ATOM 664 O VAL A 43 -11.937 6.015 -0.273 1.00 0.58 O ATOM 665 CB VAL A 43 -13.412 7.049 2.578 1.00 0.76 C ATOM 666 CG1 VAL A 43 -14.557 6.922 3.570 1.00 0.90 C ATOM 667 CG2 VAL A 43 -12.130 6.480 3.168 1.00 0.67 C ATOM 0 H VAL A 43 -13.255 4.558 2.219 1.00 0.67 H new ATOM 0 HA VAL A 43 -14.773 6.628 0.963 1.00 0.72 H new ATOM 0 HB VAL A 43 -13.255 8.107 2.371 1.00 0.76 H new ATOM 0 HG11 VAL A 43 -14.290 7.424 4.500 1.00 0.90 H new ATOM 0 HG12 VAL A 43 -15.453 7.382 3.153 1.00 0.90 H new ATOM 0 HG13 VAL A 43 -14.750 5.868 3.770 1.00 0.90 H new ATOM 0 HG21 VAL A 43 -11.903 6.989 4.105 1.00 0.67 H new ATOM 0 HG22 VAL A 43 -12.258 5.414 3.356 1.00 0.67 H new ATOM 0 HG23 VAL A 43 -11.309 6.629 2.466 1.00 0.67 H new ATOM 677 N VAL A 44 -12.851 8.060 -0.229 1.00 0.72 N ATOM 678 CA VAL A 44 -11.949 8.578 -1.257 1.00 0.71 C ATOM 679 C VAL A 44 -10.532 8.737 -0.711 1.00 0.66 C ATOM 680 O VAL A 44 -9.579 8.911 -1.467 1.00 0.68 O ATOM 681 CB VAL A 44 -12.429 9.923 -1.843 1.00 0.85 C ATOM 682 CG1 VAL A 44 -13.530 9.698 -2.866 1.00 1.06 C ATOM 683 CG2 VAL A 44 -12.908 10.862 -0.746 1.00 0.98 C ATOM 0 H VAL A 44 -13.520 8.739 0.134 1.00 0.72 H new ATOM 0 HA VAL A 44 -11.949 7.843 -2.062 1.00 0.71 H new ATOM 0 HB VAL A 44 -11.580 10.392 -2.341 1.00 0.85 H new ATOM 0 HG11 VAL A 44 -13.855 10.658 -3.268 1.00 1.06 H new ATOM 0 HG12 VAL A 44 -13.152 9.075 -3.676 1.00 1.06 H new ATOM 0 HG13 VAL A 44 -14.374 9.200 -2.389 1.00 1.06 H new ATOM 0 HG21 VAL A 44 -13.240 11.801 -1.190 1.00 0.98 H new ATOM 0 HG22 VAL A 44 -13.737 10.401 -0.209 1.00 0.98 H new ATOM 0 HG23 VAL A 44 -12.091 11.058 -0.052 1.00 0.98 H new ATOM 693 N GLN A 45 -10.404 8.673 0.608 1.00 0.66 N ATOM 694 CA GLN A 45 -9.107 8.788 1.265 1.00 0.65 C ATOM 695 C GLN A 45 -8.415 7.432 1.308 1.00 0.57 C ATOM 696 O GLN A 45 -7.206 7.351 1.507 1.00 0.62 O ATOM 697 CB GLN A 45 -9.264 9.297 2.704 1.00 0.74 C ATOM 698 CG GLN A 45 -9.782 10.721 2.828 1.00 1.07 C ATOM 699 CD GLN A 45 -11.260 10.845 2.509 1.00 1.44 C ATOM 700 OE1 GLN A 45 -12.026 9.894 2.660 1.00 1.88 O ATOM 701 NE2 GLN A 45 -11.666 12.019 2.058 1.00 1.94 N ATOM 0 H GLN A 45 -11.187 8.541 1.248 1.00 0.66 H new ATOM 0 HA GLN A 45 -8.510 9.497 0.692 1.00 0.65 H new ATOM 0 HB2 GLN A 45 -9.943 8.631 3.237 1.00 0.74 H new ATOM 0 HB3 GLN A 45 -8.297 9.233 3.204 1.00 0.74 H new ATOM 0 HG2 GLN A 45 -9.604 11.079 3.842 1.00 1.07 H new ATOM 0 HG3 GLN A 45 -9.216 11.367 2.157 1.00 1.07 H new ATOM 0 HE21 GLN A 45 -10.998 12.782 1.947 1.00 1.94 H new ATOM 0 HE22 GLN A 45 -12.648 12.162 1.820 1.00 1.94 H new ATOM 710 N ASP A 46 -9.201 6.378 1.102 1.00 0.49 N ATOM 711 CA ASP A 46 -8.717 4.998 1.153 1.00 0.42 C ATOM 712 C ASP A 46 -7.489 4.766 0.277 1.00 0.41 C ATOM 713 O ASP A 46 -6.503 4.193 0.735 1.00 0.46 O ATOM 714 CB ASP A 46 -9.835 4.042 0.733 1.00 0.38 C ATOM 715 CG ASP A 46 -9.377 2.602 0.663 1.00 0.31 C ATOM 716 OD1 ASP A 46 -9.285 1.957 1.730 1.00 0.32 O ATOM 717 OD2 ASP A 46 -9.113 2.114 -0.457 1.00 0.31 O ATOM 0 H ASP A 46 -10.196 6.456 0.894 1.00 0.49 H new ATOM 0 HA ASP A 46 -8.417 4.804 2.183 1.00 0.42 H new ATOM 0 HB2 ASP A 46 -10.661 4.122 1.440 1.00 0.38 H new ATOM 0 HB3 ASP A 46 -10.219 4.344 -0.241 1.00 0.38 H new ATOM 722 N LEU A 47 -7.540 5.242 -0.965 1.00 0.46 N ATOM 723 CA LEU A 47 -6.437 5.057 -1.912 1.00 0.54 C ATOM 724 C LEU A 47 -5.096 5.517 -1.336 1.00 0.56 C ATOM 725 O LEU A 47 -4.048 4.973 -1.681 1.00 0.65 O ATOM 726 CB LEU A 47 -6.733 5.776 -3.238 1.00 0.66 C ATOM 727 CG LEU A 47 -7.281 7.202 -3.120 1.00 0.88 C ATOM 728 CD1 LEU A 47 -6.147 8.213 -3.093 1.00 1.41 C ATOM 729 CD2 LEU A 47 -8.229 7.502 -4.270 1.00 1.00 C ATOM 0 H LEU A 47 -8.334 5.760 -1.342 1.00 0.46 H new ATOM 0 HA LEU A 47 -6.355 3.987 -2.103 1.00 0.54 H new ATOM 0 HB2 LEU A 47 -5.815 5.808 -3.824 1.00 0.66 H new ATOM 0 HB3 LEU A 47 -7.450 5.178 -3.801 1.00 0.66 H new ATOM 0 HG LEU A 47 -7.833 7.280 -2.183 1.00 0.88 H new ATOM 0 HD11 LEU A 47 -6.558 9.219 -3.009 1.00 1.41 H new ATOM 0 HD12 LEU A 47 -5.501 8.012 -2.238 1.00 1.41 H new ATOM 0 HD13 LEU A 47 -5.567 8.134 -4.013 1.00 1.41 H new ATOM 0 HD21 LEU A 47 -8.610 8.519 -4.172 1.00 1.00 H new ATOM 0 HD22 LEU A 47 -7.696 7.404 -5.216 1.00 1.00 H new ATOM 0 HD23 LEU A 47 -9.062 6.799 -4.248 1.00 1.00 H new ATOM 741 N ALA A 48 -5.129 6.504 -0.451 1.00 0.58 N ATOM 742 CA ALA A 48 -3.912 7.014 0.161 1.00 0.69 C ATOM 743 C ALA A 48 -3.748 6.479 1.579 1.00 0.67 C ATOM 744 O ALA A 48 -2.630 6.267 2.049 1.00 0.76 O ATOM 745 CB ALA A 48 -3.915 8.534 0.168 1.00 0.83 C ATOM 0 H ALA A 48 -5.984 6.966 -0.142 1.00 0.58 H new ATOM 0 HA ALA A 48 -3.066 6.669 -0.434 1.00 0.69 H new ATOM 0 HB1 ALA A 48 -2.997 8.898 0.630 1.00 0.83 H new ATOM 0 HB2 ALA A 48 -3.977 8.902 -0.856 1.00 0.83 H new ATOM 0 HB3 ALA A 48 -4.773 8.894 0.735 1.00 0.83 H new ATOM 751 N GLN A 49 -4.870 6.242 2.245 1.00 0.60 N ATOM 752 CA GLN A 49 -4.868 5.744 3.612 1.00 0.62 C ATOM 753 C GLN A 49 -4.231 4.362 3.701 1.00 0.59 C ATOM 754 O GLN A 49 -3.518 4.061 4.663 1.00 0.66 O ATOM 755 CB GLN A 49 -6.297 5.695 4.160 1.00 0.62 C ATOM 756 CG GLN A 49 -6.362 5.707 5.677 1.00 0.95 C ATOM 757 CD GLN A 49 -5.632 6.897 6.264 1.00 1.27 C ATOM 758 OE1 GLN A 49 -6.222 7.952 6.493 1.00 1.86 O ATOM 759 NE2 GLN A 49 -4.343 6.735 6.507 1.00 1.43 N ATOM 0 H GLN A 49 -5.801 6.389 1.855 1.00 0.60 H new ATOM 0 HA GLN A 49 -4.273 6.431 4.214 1.00 0.62 H new ATOM 0 HB2 GLN A 49 -6.856 6.547 3.773 1.00 0.62 H new ATOM 0 HB3 GLN A 49 -6.790 4.796 3.790 1.00 0.62 H new ATOM 0 HG2 GLN A 49 -7.404 5.727 5.996 1.00 0.95 H new ATOM 0 HG3 GLN A 49 -5.927 4.786 6.066 1.00 0.95 H new ATOM 0 HE21 GLN A 49 -3.894 5.843 6.302 1.00 1.43 H new ATOM 0 HE22 GLN A 49 -3.798 7.502 6.900 1.00 1.43 H new ATOM 768 N LEU A 50 -4.481 3.538 2.691 1.00 0.52 N ATOM 769 CA LEU A 50 -3.944 2.185 2.646 1.00 0.53 C ATOM 770 C LEU A 50 -2.424 2.186 2.677 1.00 0.65 C ATOM 771 O LEU A 50 -1.811 1.386 3.378 1.00 0.72 O ATOM 772 CB LEU A 50 -4.424 1.471 1.386 1.00 0.46 C ATOM 773 CG LEU A 50 -5.941 1.357 1.246 1.00 0.36 C ATOM 774 CD1 LEU A 50 -6.307 0.719 -0.083 1.00 0.35 C ATOM 775 CD2 LEU A 50 -6.530 0.563 2.399 1.00 0.40 C ATOM 0 H LEU A 50 -5.057 3.786 1.887 1.00 0.52 H new ATOM 0 HA LEU A 50 -4.305 1.658 3.529 1.00 0.53 H new ATOM 0 HB2 LEU A 50 -4.033 1.999 0.516 1.00 0.46 H new ATOM 0 HB3 LEU A 50 -3.996 0.468 1.370 1.00 0.46 H new ATOM 0 HG LEU A 50 -6.363 2.362 1.274 1.00 0.36 H new ATOM 0 HD11 LEU A 50 -7.391 0.646 -0.165 1.00 0.35 H new ATOM 0 HD12 LEU A 50 -5.922 1.331 -0.899 1.00 0.35 H new ATOM 0 HD13 LEU A 50 -5.871 -0.278 -0.140 1.00 0.35 H new ATOM 0 HD21 LEU A 50 -7.611 0.494 2.279 1.00 0.40 H new ATOM 0 HD22 LEU A 50 -6.102 -0.439 2.407 1.00 0.40 H new ATOM 0 HD23 LEU A 50 -6.301 1.063 3.340 1.00 0.40 H new ATOM 787 N VAL A 51 -1.823 3.091 1.922 1.00 0.70 N ATOM 788 CA VAL A 51 -0.372 3.182 1.856 1.00 0.84 C ATOM 789 C VAL A 51 0.190 3.924 3.065 1.00 0.90 C ATOM 790 O VAL A 51 1.224 3.535 3.614 1.00 1.01 O ATOM 791 CB VAL A 51 0.109 3.875 0.559 1.00 0.90 C ATOM 792 CG1 VAL A 51 0.898 2.902 -0.300 1.00 1.56 C ATOM 793 CG2 VAL A 51 -1.060 4.451 -0.228 1.00 1.37 C ATOM 0 H VAL A 51 -2.316 3.773 1.346 1.00 0.70 H new ATOM 0 HA VAL A 51 0.001 2.158 1.857 1.00 0.84 H new ATOM 0 HB VAL A 51 0.760 4.702 0.843 1.00 0.90 H new ATOM 0 HG11 VAL A 51 1.229 3.405 -1.209 1.00 1.56 H new ATOM 0 HG12 VAL A 51 1.766 2.547 0.256 1.00 1.56 H new ATOM 0 HG13 VAL A 51 0.266 2.055 -0.564 1.00 1.56 H new ATOM 0 HG21 VAL A 51 -0.688 4.931 -1.133 1.00 1.37 H new ATOM 0 HG22 VAL A 51 -1.747 3.649 -0.498 1.00 1.37 H new ATOM 0 HG23 VAL A 51 -1.583 5.186 0.383 1.00 1.37 H new ATOM 803 N GLU A 52 -0.510 4.973 3.493 1.00 0.86 N ATOM 804 CA GLU A 52 -0.072 5.775 4.632 1.00 0.93 C ATOM 805 C GLU A 52 0.004 4.943 5.908 1.00 0.95 C ATOM 806 O GLU A 52 1.044 4.894 6.565 1.00 1.07 O ATOM 807 CB GLU A 52 -1.009 6.971 4.846 1.00 0.91 C ATOM 808 CG GLU A 52 -0.666 7.793 6.082 1.00 1.13 C ATOM 809 CD GLU A 52 -1.530 9.025 6.231 1.00 1.17 C ATOM 810 OE1 GLU A 52 -2.709 8.888 6.622 1.00 1.37 O ATOM 811 OE2 GLU A 52 -1.033 10.139 5.973 1.00 1.40 O ATOM 0 H GLU A 52 -1.382 5.287 3.068 1.00 0.86 H new ATOM 0 HA GLU A 52 0.929 6.142 4.404 1.00 0.93 H new ATOM 0 HB2 GLU A 52 -0.970 7.615 3.968 1.00 0.91 H new ATOM 0 HB3 GLU A 52 -2.034 6.610 4.932 1.00 0.91 H new ATOM 0 HG2 GLU A 52 -0.777 7.169 6.969 1.00 1.13 H new ATOM 0 HG3 GLU A 52 0.381 8.094 6.033 1.00 1.13 H new ATOM 818 N GLU A 53 -1.086 4.262 6.237 1.00 0.86 N ATOM 819 CA GLU A 53 -1.139 3.459 7.452 1.00 0.89 C ATOM 820 C GLU A 53 -0.489 2.093 7.263 1.00 0.93 C ATOM 821 O GLU A 53 -0.355 1.331 8.220 1.00 1.01 O ATOM 822 CB GLU A 53 -2.586 3.302 7.927 1.00 0.85 C ATOM 823 CG GLU A 53 -3.103 4.519 8.676 1.00 1.33 C ATOM 824 CD GLU A 53 -4.485 4.310 9.259 1.00 1.45 C ATOM 825 OE1 GLU A 53 -4.755 3.210 9.787 1.00 1.81 O ATOM 826 OE2 GLU A 53 -5.304 5.249 9.209 1.00 1.99 O ATOM 0 H GLU A 53 -1.942 4.249 5.682 1.00 0.86 H new ATOM 0 HA GLU A 53 -0.569 3.987 8.216 1.00 0.89 H new ATOM 0 HB2 GLU A 53 -3.227 3.114 7.065 1.00 0.85 H new ATOM 0 HB3 GLU A 53 -2.657 2.428 8.574 1.00 0.85 H new ATOM 0 HG2 GLU A 53 -2.409 4.767 9.479 1.00 1.33 H new ATOM 0 HG3 GLU A 53 -3.125 5.373 7.999 1.00 1.33 H new ATOM 833 N ALA A 54 -0.074 1.790 6.035 1.00 0.93 N ATOM 834 CA ALA A 54 0.571 0.514 5.744 1.00 1.00 C ATOM 835 C ALA A 54 1.830 0.346 6.579 1.00 1.15 C ATOM 836 O ALA A 54 2.007 -0.658 7.261 1.00 1.28 O ATOM 837 CB ALA A 54 0.912 0.401 4.266 1.00 1.06 C ATOM 0 H ALA A 54 -0.173 2.408 5.230 1.00 0.93 H new ATOM 0 HA ALA A 54 -0.131 -0.279 6.000 1.00 1.00 H new ATOM 0 HB1 ALA A 54 1.392 -0.559 4.076 1.00 1.06 H new ATOM 0 HB2 ALA A 54 -0.001 0.474 3.675 1.00 1.06 H new ATOM 0 HB3 ALA A 54 1.590 1.207 3.986 1.00 1.06 H new ATOM 843 N THR A 55 2.706 1.337 6.525 1.00 1.21 N ATOM 844 CA THR A 55 3.951 1.290 7.277 1.00 1.38 C ATOM 845 C THR A 55 4.356 2.687 7.744 1.00 1.40 C ATOM 846 O THR A 55 5.539 2.980 7.905 1.00 1.55 O ATOM 847 CB THR A 55 5.083 0.677 6.426 1.00 1.60 C ATOM 848 OG1 THR A 55 4.524 -0.226 5.457 1.00 1.81 O ATOM 849 CG2 THR A 55 6.081 -0.077 7.295 1.00 1.77 C ATOM 0 H THR A 55 2.579 2.183 5.969 1.00 1.21 H new ATOM 0 HA THR A 55 3.787 0.660 8.151 1.00 1.38 H new ATOM 0 HB THR A 55 5.607 1.491 5.924 1.00 1.60 H new ATOM 0 HG1 THR A 55 4.190 -1.027 5.911 1.00 1.81 H new ATOM 0 HG21 THR A 55 6.866 -0.497 6.666 1.00 1.77 H new ATOM 0 HG22 THR A 55 6.523 0.608 8.019 1.00 1.77 H new ATOM 0 HG23 THR A 55 5.569 -0.882 7.822 1.00 1.77 H new ATOM 857 N GLY A 56 3.361 3.544 7.955 1.00 1.30 N ATOM 858 CA GLY A 56 3.617 4.898 8.410 1.00 1.34 C ATOM 859 C GLY A 56 4.345 5.727 7.371 1.00 1.42 C ATOM 860 O GLY A 56 5.524 6.048 7.537 1.00 1.55 O ATOM 0 H GLY A 56 2.375 3.322 7.817 1.00 1.30 H new ATOM 0 HA2 GLY A 56 2.672 5.380 8.659 1.00 1.34 H new ATOM 0 HA3 GLY A 56 4.208 4.866 9.325 1.00 1.34 H new ATOM 864 N VAL A 57 3.648 6.061 6.294 1.00 1.37 N ATOM 865 CA VAL A 57 4.233 6.845 5.213 1.00 1.46 C ATOM 866 C VAL A 57 3.358 8.047 4.884 1.00 1.37 C ATOM 867 O VAL A 57 2.167 7.892 4.626 1.00 1.26 O ATOM 868 CB VAL A 57 4.397 6.008 3.925 1.00 1.55 C ATOM 869 CG1 VAL A 57 5.462 6.610 3.020 1.00 1.70 C ATOM 870 CG2 VAL A 57 4.717 4.556 4.248 1.00 1.63 C ATOM 0 H VAL A 57 2.673 5.801 6.144 1.00 1.37 H new ATOM 0 HA VAL A 57 5.213 7.172 5.560 1.00 1.46 H new ATOM 0 HB VAL A 57 3.447 6.028 3.392 1.00 1.55 H new ATOM 0 HG11 VAL A 57 5.560 6.003 2.120 1.00 1.70 H new ATOM 0 HG12 VAL A 57 5.174 7.625 2.745 1.00 1.70 H new ATOM 0 HG13 VAL A 57 6.416 6.634 3.547 1.00 1.70 H new ATOM 0 HG21 VAL A 57 4.827 3.993 3.321 1.00 1.63 H new ATOM 0 HG22 VAL A 57 5.646 4.506 4.815 1.00 1.63 H new ATOM 0 HG23 VAL A 57 3.908 4.128 4.839 1.00 1.63 H new ATOM 880 N PRO A 58 3.927 9.261 4.904 1.00 1.45 N ATOM 881 CA PRO A 58 3.177 10.472 4.579 1.00 1.41 C ATOM 882 C PRO A 58 2.758 10.498 3.106 1.00 1.35 C ATOM 883 O PRO A 58 3.472 9.990 2.237 1.00 1.39 O ATOM 884 CB PRO A 58 4.148 11.613 4.899 1.00 1.56 C ATOM 885 CG PRO A 58 5.506 10.999 4.928 1.00 1.67 C ATOM 886 CD PRO A 58 5.325 9.544 5.265 1.00 1.63 C ATOM 0 HA PRO A 58 2.247 10.543 5.143 1.00 1.41 H new ATOM 0 HB2 PRO A 58 4.090 12.398 4.145 1.00 1.56 H new ATOM 0 HB3 PRO A 58 3.907 12.073 5.857 1.00 1.56 H new ATOM 0 HG2 PRO A 58 6.001 11.113 3.964 1.00 1.67 H new ATOM 0 HG3 PRO A 58 6.136 11.491 5.669 1.00 1.67 H new ATOM 0 HD2 PRO A 58 6.016 8.916 4.703 1.00 1.63 H new ATOM 0 HD3 PRO A 58 5.510 9.354 6.322 1.00 1.63 H new ATOM 894 N LEU A 59 1.604 11.104 2.838 1.00 1.29 N ATOM 895 CA LEU A 59 1.048 11.186 1.484 1.00 1.26 C ATOM 896 C LEU A 59 2.054 11.687 0.434 1.00 1.34 C ATOM 897 O LEU A 59 2.277 11.004 -0.563 1.00 1.35 O ATOM 898 CB LEU A 59 -0.207 12.066 1.473 1.00 1.25 C ATOM 899 CG LEU A 59 -1.535 11.309 1.395 1.00 1.25 C ATOM 900 CD1 LEU A 59 -1.783 10.522 2.673 1.00 1.27 C ATOM 901 CD2 LEU A 59 -2.679 12.276 1.132 1.00 1.54 C ATOM 0 H LEU A 59 1.027 11.552 3.550 1.00 1.29 H new ATOM 0 HA LEU A 59 0.789 10.166 1.201 1.00 1.26 H new ATOM 0 HB2 LEU A 59 -0.209 12.679 2.375 1.00 1.25 H new ATOM 0 HB3 LEU A 59 -0.146 12.748 0.625 1.00 1.25 H new ATOM 0 HG LEU A 59 -1.480 10.602 0.567 1.00 1.25 H new ATOM 0 HD11 LEU A 59 -2.732 9.992 2.595 1.00 1.27 H new ATOM 0 HD12 LEU A 59 -0.977 9.803 2.820 1.00 1.27 H new ATOM 0 HD13 LEU A 59 -1.818 11.206 3.521 1.00 1.27 H new ATOM 0 HD21 LEU A 59 -3.617 11.724 1.079 1.00 1.54 H new ATOM 0 HD22 LEU A 59 -2.732 13.005 1.940 1.00 1.54 H new ATOM 0 HD23 LEU A 59 -2.509 12.793 0.188 1.00 1.54 H new ATOM 913 N PRO A 60 2.693 12.860 0.631 1.00 1.42 N ATOM 914 CA PRO A 60 3.645 13.414 -0.348 1.00 1.52 C ATOM 915 C PRO A 60 4.946 12.613 -0.490 1.00 1.60 C ATOM 916 O PRO A 60 5.856 13.031 -1.212 1.00 1.79 O ATOM 917 CB PRO A 60 3.956 14.818 0.198 1.00 1.61 C ATOM 918 CG PRO A 60 2.905 15.089 1.218 1.00 1.56 C ATOM 919 CD PRO A 60 2.542 13.757 1.789 1.00 1.46 C ATOM 0 HA PRO A 60 3.209 13.398 -1.347 1.00 1.52 H new ATOM 0 HB2 PRO A 60 4.951 14.856 0.640 1.00 1.61 H new ATOM 0 HB3 PRO A 60 3.932 15.563 -0.598 1.00 1.61 H new ATOM 0 HG2 PRO A 60 3.276 15.759 1.993 1.00 1.56 H new ATOM 0 HG3 PRO A 60 2.038 15.571 0.768 1.00 1.56 H new ATOM 0 HD2 PRO A 60 3.201 13.474 2.610 1.00 1.46 H new ATOM 0 HD3 PRO A 60 1.524 13.747 2.180 1.00 1.46 H new ATOM 927 N PHE A 61 5.040 11.472 0.178 1.00 1.55 N ATOM 928 CA PHE A 61 6.245 10.654 0.108 1.00 1.63 C ATOM 929 C PHE A 61 6.040 9.405 -0.738 1.00 1.59 C ATOM 930 O PHE A 61 7.007 8.813 -1.226 1.00 1.70 O ATOM 931 CB PHE A 61 6.689 10.245 1.508 1.00 1.66 C ATOM 932 CG PHE A 61 7.918 10.959 1.986 1.00 1.80 C ATOM 933 CD1 PHE A 61 7.850 12.275 2.409 1.00 1.95 C ATOM 934 CD2 PHE A 61 9.146 10.316 2.004 1.00 2.00 C ATOM 935 CE1 PHE A 61 8.981 12.934 2.848 1.00 2.23 C ATOM 936 CE2 PHE A 61 10.279 10.969 2.442 1.00 2.25 C ATOM 937 CZ PHE A 61 10.199 12.281 2.860 1.00 2.34 C ATOM 0 H PHE A 61 4.302 11.092 0.771 1.00 1.55 H new ATOM 0 HA PHE A 61 7.016 11.262 -0.365 1.00 1.63 H new ATOM 0 HB2 PHE A 61 5.875 10.435 2.207 1.00 1.66 H new ATOM 0 HB3 PHE A 61 6.876 9.171 1.521 1.00 1.66 H new ATOM 0 HD1 PHE A 61 6.902 12.792 2.396 1.00 1.95 H new ATOM 0 HD2 PHE A 61 9.216 9.291 1.671 1.00 2.00 H new ATOM 0 HE1 PHE A 61 8.914 13.959 3.182 1.00 2.23 H new ATOM 0 HE2 PHE A 61 11.228 10.454 2.458 1.00 2.25 H new ATOM 0 HZ PHE A 61 11.086 12.797 3.196 1.00 2.34 H new ATOM 947 N GLN A 62 4.790 9.011 -0.926 1.00 1.47 N ATOM 948 CA GLN A 62 4.495 7.809 -1.690 1.00 1.44 C ATOM 949 C GLN A 62 3.741 8.122 -2.976 1.00 1.40 C ATOM 950 O GLN A 62 2.718 8.807 -2.971 1.00 1.55 O ATOM 951 CB GLN A 62 3.704 6.820 -0.828 1.00 1.38 C ATOM 952 CG GLN A 62 2.403 7.378 -0.273 1.00 1.35 C ATOM 953 CD GLN A 62 2.050 6.789 1.078 1.00 1.64 C ATOM 954 OE1 GLN A 62 2.442 5.669 1.404 1.00 2.14 O ATOM 955 NE2 GLN A 62 1.309 7.540 1.873 1.00 1.66 N ATOM 0 H GLN A 62 3.971 9.500 -0.564 1.00 1.47 H new ATOM 0 HA GLN A 62 5.444 7.356 -1.976 1.00 1.44 H new ATOM 0 HB2 GLN A 62 3.482 5.934 -1.423 1.00 1.38 H new ATOM 0 HB3 GLN A 62 4.331 6.497 0.003 1.00 1.38 H new ATOM 0 HG2 GLN A 62 2.485 8.461 -0.184 1.00 1.35 H new ATOM 0 HG3 GLN A 62 1.595 7.176 -0.976 1.00 1.35 H new ATOM 0 HE21 GLN A 62 1.005 8.463 1.564 1.00 1.66 H new ATOM 0 HE22 GLN A 62 1.041 7.197 2.795 1.00 1.66 H new ATOM 964 N LYS A 63 4.265 7.622 -4.086 1.00 1.42 N ATOM 965 CA LYS A 63 3.639 7.824 -5.381 1.00 1.38 C ATOM 966 C LYS A 63 2.621 6.717 -5.628 1.00 1.27 C ATOM 967 O LYS A 63 2.919 5.721 -6.288 1.00 1.31 O ATOM 968 CB LYS A 63 4.689 7.843 -6.496 1.00 1.51 C ATOM 969 CG LYS A 63 4.177 8.405 -7.813 1.00 1.64 C ATOM 970 CD LYS A 63 4.203 9.924 -7.821 1.00 1.73 C ATOM 971 CE LYS A 63 3.468 10.488 -9.026 1.00 1.94 C ATOM 972 NZ LYS A 63 3.766 11.929 -9.233 1.00 2.29 N ATOM 0 H LYS A 63 5.124 7.073 -4.114 1.00 1.42 H new ATOM 0 HA LYS A 63 3.132 8.789 -5.383 1.00 1.38 H new ATOM 0 HB2 LYS A 63 5.544 8.434 -6.167 1.00 1.51 H new ATOM 0 HB3 LYS A 63 5.049 6.827 -6.661 1.00 1.51 H new ATOM 0 HG2 LYS A 63 4.787 8.026 -8.633 1.00 1.64 H new ATOM 0 HG3 LYS A 63 3.159 8.057 -7.986 1.00 1.64 H new ATOM 0 HD2 LYS A 63 3.747 10.301 -6.906 1.00 1.73 H new ATOM 0 HD3 LYS A 63 5.236 10.271 -7.829 1.00 1.73 H new ATOM 0 HE2 LYS A 63 3.749 9.928 -9.918 1.00 1.94 H new ATOM 0 HE3 LYS A 63 2.395 10.355 -8.891 1.00 1.94 H new ATOM 0 HZ1 LYS A 63 3.246 12.275 -10.064 1.00 2.29 H new ATOM 0 HZ2 LYS A 63 3.474 12.468 -8.393 1.00 2.29 H new ATOM 0 HZ3 LYS A 63 4.787 12.054 -9.387 1.00 2.29 H new ATOM 986 N LEU A 64 1.440 6.885 -5.047 1.00 1.16 N ATOM 987 CA LEU A 64 0.361 5.916 -5.183 1.00 1.06 C ATOM 988 C LEU A 64 -0.177 5.921 -6.610 1.00 1.05 C ATOM 989 O LEU A 64 -0.686 6.937 -7.085 1.00 1.06 O ATOM 990 CB LEU A 64 -0.764 6.240 -4.182 1.00 0.98 C ATOM 991 CG LEU A 64 -1.858 5.172 -4.009 1.00 0.91 C ATOM 992 CD1 LEU A 64 -2.964 5.351 -5.035 1.00 0.99 C ATOM 993 CD2 LEU A 64 -1.275 3.770 -4.098 1.00 1.06 C ATOM 0 H LEU A 64 1.204 7.693 -4.471 1.00 1.16 H new ATOM 0 HA LEU A 64 0.749 4.921 -4.965 1.00 1.06 H new ATOM 0 HB2 LEU A 64 -0.311 6.425 -3.208 1.00 0.98 H new ATOM 0 HB3 LEU A 64 -1.241 7.169 -4.494 1.00 0.98 H new ATOM 0 HG LEU A 64 -2.288 5.301 -3.016 1.00 0.91 H new ATOM 0 HD11 LEU A 64 -3.723 4.583 -4.889 1.00 0.99 H new ATOM 0 HD12 LEU A 64 -3.416 6.336 -4.915 1.00 0.99 H new ATOM 0 HD13 LEU A 64 -2.547 5.263 -6.038 1.00 0.99 H new ATOM 0 HD21 LEU A 64 -2.071 3.036 -3.972 1.00 1.06 H new ATOM 0 HD22 LEU A 64 -0.805 3.632 -5.072 1.00 1.06 H new ATOM 0 HD23 LEU A 64 -0.530 3.635 -3.314 1.00 1.06 H new ATOM 1005 N ILE A 65 -0.037 4.793 -7.291 1.00 1.07 N ATOM 1006 CA ILE A 65 -0.520 4.659 -8.659 1.00 1.08 C ATOM 1007 C ILE A 65 -1.206 3.306 -8.851 1.00 1.05 C ATOM 1008 O ILE A 65 -0.596 2.341 -9.316 1.00 1.15 O ATOM 1009 CB ILE A 65 0.616 4.818 -9.703 1.00 1.22 C ATOM 1010 CG1 ILE A 65 1.335 6.160 -9.521 1.00 1.27 C ATOM 1011 CG2 ILE A 65 0.059 4.708 -11.118 1.00 1.42 C ATOM 1012 CD1 ILE A 65 2.468 6.383 -10.497 1.00 1.42 C ATOM 0 H ILE A 65 0.408 3.955 -6.918 1.00 1.07 H new ATOM 0 HA ILE A 65 -1.237 5.464 -8.822 1.00 1.08 H new ATOM 0 HB ILE A 65 1.337 4.015 -9.547 1.00 1.22 H new ATOM 0 HG12 ILE A 65 0.611 6.967 -9.629 1.00 1.27 H new ATOM 0 HG13 ILE A 65 1.726 6.217 -8.505 1.00 1.27 H new ATOM 0 HG21 ILE A 65 0.869 4.822 -11.838 1.00 1.42 H new ATOM 0 HG22 ILE A 65 -0.409 3.733 -11.250 1.00 1.42 H new ATOM 0 HG23 ILE A 65 -0.682 5.491 -11.279 1.00 1.42 H new ATOM 0 HD11 ILE A 65 2.927 7.353 -10.306 1.00 1.42 H new ATOM 0 HD12 ILE A 65 3.214 5.598 -10.374 1.00 1.42 H new ATOM 0 HD13 ILE A 65 2.081 6.360 -11.516 1.00 1.42 H new ATOM 1024 N PHE A 66 -2.472 3.240 -8.462 1.00 0.93 N ATOM 1025 CA PHE A 66 -3.270 2.027 -8.591 1.00 0.91 C ATOM 1026 C PHE A 66 -4.735 2.363 -8.366 1.00 0.84 C ATOM 1027 O PHE A 66 -5.059 3.509 -8.054 1.00 0.81 O ATOM 1028 CB PHE A 66 -2.818 0.942 -7.611 1.00 0.89 C ATOM 1029 CG PHE A 66 -2.479 -0.362 -8.286 1.00 0.97 C ATOM 1030 CD1 PHE A 66 -3.476 -1.251 -8.658 1.00 1.24 C ATOM 1031 CD2 PHE A 66 -1.164 -0.691 -8.556 1.00 1.20 C ATOM 1032 CE1 PHE A 66 -3.164 -2.442 -9.284 1.00 1.32 C ATOM 1033 CE2 PHE A 66 -0.844 -1.881 -9.181 1.00 1.28 C ATOM 1034 CZ PHE A 66 -1.844 -2.758 -9.545 1.00 1.16 C ATOM 0 H PHE A 66 -2.975 4.025 -8.048 1.00 0.93 H new ATOM 0 HA PHE A 66 -3.131 1.632 -9.597 1.00 0.91 H new ATOM 0 HB2 PHE A 66 -1.946 1.297 -7.062 1.00 0.89 H new ATOM 0 HB3 PHE A 66 -3.607 0.771 -6.879 1.00 0.89 H new ATOM 0 HD1 PHE A 66 -4.509 -1.009 -8.456 1.00 1.24 H new ATOM 0 HD2 PHE A 66 -0.376 -0.009 -8.275 1.00 1.20 H new ATOM 0 HE1 PHE A 66 -3.950 -3.125 -9.569 1.00 1.32 H new ATOM 0 HE2 PHE A 66 0.188 -2.124 -9.384 1.00 1.28 H new ATOM 0 HZ PHE A 66 -1.596 -3.689 -10.033 1.00 1.16 H new ATOM 1044 N LYS A 67 -5.614 1.369 -8.541 1.00 0.87 N ATOM 1045 CA LYS A 67 -7.062 1.558 -8.383 1.00 0.89 C ATOM 1046 C LYS A 67 -7.577 2.563 -9.408 1.00 0.84 C ATOM 1047 O LYS A 67 -8.698 3.062 -9.295 1.00 0.84 O ATOM 1048 CB LYS A 67 -7.419 2.059 -6.973 1.00 1.00 C ATOM 1049 CG LYS A 67 -7.282 1.023 -5.868 1.00 0.69 C ATOM 1050 CD LYS A 67 -8.110 1.422 -4.651 1.00 0.72 C ATOM 1051 CE LYS A 67 -7.837 0.528 -3.453 1.00 0.72 C ATOM 1052 NZ LYS A 67 -8.979 0.514 -2.496 1.00 0.54 N ATOM 0 H LYS A 67 -5.345 0.418 -8.794 1.00 0.87 H new ATOM 0 HA LYS A 67 -7.534 0.588 -8.538 1.00 0.89 H new ATOM 0 HB2 LYS A 67 -6.781 2.910 -6.734 1.00 1.00 H new ATOM 0 HB3 LYS A 67 -8.446 2.424 -6.983 1.00 1.00 H new ATOM 0 HG2 LYS A 67 -7.608 0.049 -6.233 1.00 0.69 H new ATOM 0 HG3 LYS A 67 -6.234 0.922 -5.584 1.00 0.69 H new ATOM 0 HD2 LYS A 67 -7.890 2.457 -4.388 1.00 0.72 H new ATOM 0 HD3 LYS A 67 -9.169 1.375 -4.903 1.00 0.72 H new ATOM 0 HE2 LYS A 67 -7.639 -0.487 -3.796 1.00 0.72 H new ATOM 0 HE3 LYS A 67 -6.939 0.872 -2.941 1.00 0.72 H new ATOM 0 HZ1 LYS A 67 -9.014 -0.405 -2.010 1.00 0.54 H new ATOM 0 HZ2 LYS A 67 -8.853 1.272 -1.795 1.00 0.54 H new ATOM 0 HZ3 LYS A 67 -9.868 0.666 -3.014 1.00 0.54 H new ATOM 1066 N GLY A 68 -6.756 2.843 -10.417 1.00 0.89 N ATOM 1067 CA GLY A 68 -7.115 3.818 -11.423 1.00 0.93 C ATOM 1068 C GLY A 68 -7.139 5.211 -10.825 1.00 0.94 C ATOM 1069 O GLY A 68 -7.995 6.029 -11.162 1.00 1.05 O ATOM 0 H GLY A 68 -5.844 2.407 -10.553 1.00 0.89 H new ATOM 0 HA2 GLY A 68 -6.401 3.781 -12.246 1.00 0.93 H new ATOM 0 HA3 GLY A 68 -8.093 3.577 -11.839 1.00 0.93 H new ATOM 1073 N LYS A 69 -6.215 5.456 -9.897 1.00 0.89 N ATOM 1074 CA LYS A 69 -6.114 6.743 -9.221 1.00 0.93 C ATOM 1075 C LYS A 69 -4.676 7.045 -8.833 1.00 0.96 C ATOM 1076 O LYS A 69 -3.771 6.250 -9.093 1.00 1.05 O ATOM 1077 CB LYS A 69 -6.983 6.750 -7.961 1.00 0.92 C ATOM 1078 CG LYS A 69 -8.442 7.045 -8.232 1.00 1.07 C ATOM 1079 CD LYS A 69 -9.354 6.006 -7.603 1.00 0.93 C ATOM 1080 CE LYS A 69 -10.634 5.849 -8.404 1.00 1.24 C ATOM 1081 NZ LYS A 69 -10.377 5.225 -9.730 1.00 1.50 N ATOM 0 H LYS A 69 -5.521 4.772 -9.596 1.00 0.89 H new ATOM 0 HA LYS A 69 -6.462 7.509 -9.914 1.00 0.93 H new ATOM 0 HB2 LYS A 69 -6.902 5.781 -7.469 1.00 0.92 H new ATOM 0 HB3 LYS A 69 -6.594 7.494 -7.266 1.00 0.92 H new ATOM 0 HG2 LYS A 69 -8.692 8.032 -7.842 1.00 1.07 H new ATOM 0 HG3 LYS A 69 -8.613 7.075 -9.308 1.00 1.07 H new ATOM 0 HD2 LYS A 69 -8.836 5.049 -7.547 1.00 0.93 H new ATOM 0 HD3 LYS A 69 -9.594 6.299 -6.581 1.00 0.93 H new ATOM 0 HE2 LYS A 69 -11.341 5.237 -7.844 1.00 1.24 H new ATOM 0 HE3 LYS A 69 -11.098 6.825 -8.544 1.00 1.24 H new ATOM 0 HZ1 LYS A 69 -11.265 5.180 -10.270 1.00 1.50 H new ATOM 0 HZ2 LYS A 69 -9.682 5.795 -10.253 1.00 1.50 H new ATOM 0 HZ3 LYS A 69 -10.004 4.263 -9.595 1.00 1.50 H new ATOM 1095 N SER A 70 -4.486 8.193 -8.200 1.00 0.95 N ATOM 1096 CA SER A 70 -3.174 8.622 -7.750 1.00 1.00 C ATOM 1097 C SER A 70 -3.238 9.002 -6.270 1.00 0.93 C ATOM 1098 O SER A 70 -4.293 8.890 -5.645 1.00 0.89 O ATOM 1099 CB SER A 70 -2.694 9.814 -8.580 1.00 1.17 C ATOM 1100 OG SER A 70 -3.038 9.664 -9.951 1.00 1.46 O ATOM 0 H SER A 70 -5.236 8.850 -7.985 1.00 0.95 H new ATOM 0 HA SER A 70 -2.467 7.803 -7.879 1.00 1.00 H new ATOM 0 HB2 SER A 70 -3.136 10.731 -8.191 1.00 1.17 H new ATOM 0 HB3 SER A 70 -1.613 9.915 -8.484 1.00 1.17 H new ATOM 0 HG SER A 70 -2.720 10.442 -10.455 1.00 1.46 H new ATOM 1106 N LEU A 71 -2.117 9.448 -5.715 1.00 1.01 N ATOM 1107 CA LEU A 71 -2.067 9.844 -4.312 1.00 0.99 C ATOM 1108 C LEU A 71 -2.834 11.147 -4.083 1.00 1.00 C ATOM 1109 O LEU A 71 -2.533 12.174 -4.697 1.00 1.13 O ATOM 1110 CB LEU A 71 -0.615 10.005 -3.843 1.00 1.11 C ATOM 1111 CG LEU A 71 0.186 11.103 -4.547 1.00 1.24 C ATOM 1112 CD1 LEU A 71 1.113 11.792 -3.564 1.00 1.35 C ATOM 1113 CD2 LEU A 71 0.987 10.531 -5.702 1.00 1.28 C ATOM 0 H LEU A 71 -1.232 9.544 -6.213 1.00 1.01 H new ATOM 0 HA LEU A 71 -2.540 9.054 -3.728 1.00 0.99 H new ATOM 0 HB2 LEU A 71 -0.618 10.211 -2.773 1.00 1.11 H new ATOM 0 HB3 LEU A 71 -0.099 9.055 -3.984 1.00 1.11 H new ATOM 0 HG LEU A 71 -0.518 11.835 -4.944 1.00 1.24 H new ATOM 0 HD11 LEU A 71 1.676 12.570 -4.079 1.00 1.35 H new ATOM 0 HD12 LEU A 71 0.526 12.239 -2.762 1.00 1.35 H new ATOM 0 HD13 LEU A 71 1.805 11.062 -3.143 1.00 1.35 H new ATOM 0 HD21 LEU A 71 1.548 11.330 -6.187 1.00 1.28 H new ATOM 0 HD22 LEU A 71 1.680 9.778 -5.327 1.00 1.28 H new ATOM 0 HD23 LEU A 71 0.310 10.074 -6.423 1.00 1.28 H new ATOM 1125 N LYS A 72 -3.829 11.096 -3.205 1.00 0.95 N ATOM 1126 CA LYS A 72 -4.641 12.263 -2.885 1.00 0.99 C ATOM 1127 C LYS A 72 -5.552 11.957 -1.706 1.00 0.95 C ATOM 1128 O LYS A 72 -5.732 10.796 -1.344 1.00 0.92 O ATOM 1129 CB LYS A 72 -5.494 12.669 -4.086 1.00 1.02 C ATOM 1130 CG LYS A 72 -5.295 14.111 -4.521 1.00 1.22 C ATOM 1131 CD LYS A 72 -6.111 14.423 -5.760 1.00 1.29 C ATOM 1132 CE LYS A 72 -5.466 15.516 -6.595 1.00 1.62 C ATOM 1133 NZ LYS A 72 -6.069 15.594 -7.948 1.00 1.90 N ATOM 0 H LYS A 72 -4.094 10.251 -2.699 1.00 0.95 H new ATOM 0 HA LYS A 72 -3.972 13.084 -2.628 1.00 0.99 H new ATOM 0 HB2 LYS A 72 -5.262 12.011 -4.924 1.00 1.02 H new ATOM 0 HB3 LYS A 72 -6.545 12.515 -3.842 1.00 1.02 H new ATOM 0 HG2 LYS A 72 -5.585 14.782 -3.712 1.00 1.22 H new ATOM 0 HG3 LYS A 72 -4.239 14.291 -4.722 1.00 1.22 H new ATOM 0 HD2 LYS A 72 -6.219 13.521 -6.362 1.00 1.29 H new ATOM 0 HD3 LYS A 72 -7.114 14.733 -5.467 1.00 1.29 H new ATOM 0 HE2 LYS A 72 -5.578 16.475 -6.090 1.00 1.62 H new ATOM 0 HE3 LYS A 72 -4.396 15.325 -6.683 1.00 1.62 H new ATOM 0 HZ1 LYS A 72 -5.472 16.186 -8.560 1.00 1.90 H new ATOM 0 HZ2 LYS A 72 -6.139 14.638 -8.352 1.00 1.90 H new ATOM 0 HZ3 LYS A 72 -7.019 16.012 -7.881 1.00 1.90 H new ATOM 1147 N GLU A 73 -6.119 12.996 -1.107 1.00 1.00 N ATOM 1148 CA GLU A 73 -7.030 12.822 0.018 1.00 1.01 C ATOM 1149 C GLU A 73 -8.447 12.628 -0.506 1.00 0.98 C ATOM 1150 O GLU A 73 -9.318 12.111 0.185 1.00 1.01 O ATOM 1151 CB GLU A 73 -6.986 14.029 0.961 1.00 1.14 C ATOM 1152 CG GLU A 73 -5.735 14.885 0.832 1.00 1.33 C ATOM 1153 CD GLU A 73 -5.871 15.962 -0.225 1.00 1.55 C ATOM 1154 OE1 GLU A 73 -5.614 15.668 -1.412 1.00 1.66 O ATOM 1155 OE2 GLU A 73 -6.240 17.101 0.128 1.00 1.98 O ATOM 0 H GLU A 73 -5.965 13.967 -1.380 1.00 1.00 H new ATOM 0 HA GLU A 73 -6.718 11.943 0.582 1.00 1.01 H new ATOM 0 HB2 GLU A 73 -7.859 14.653 0.772 1.00 1.14 H new ATOM 0 HB3 GLU A 73 -7.064 13.674 1.989 1.00 1.14 H new ATOM 0 HG2 GLU A 73 -5.517 15.350 1.793 1.00 1.33 H new ATOM 0 HG3 GLU A 73 -4.886 14.246 0.587 1.00 1.33 H new ATOM 1162 N MET A 74 -8.658 13.061 -1.743 1.00 1.01 N ATOM 1163 CA MET A 74 -9.956 12.949 -2.399 1.00 1.03 C ATOM 1164 C MET A 74 -9.798 13.177 -3.901 1.00 1.05 C ATOM 1165 O MET A 74 -9.597 14.308 -4.350 1.00 1.16 O ATOM 1166 CB MET A 74 -10.960 13.949 -1.800 1.00 1.15 C ATOM 1167 CG MET A 74 -10.430 15.371 -1.686 1.00 1.26 C ATOM 1168 SD MET A 74 -11.587 16.478 -0.860 1.00 1.65 S ATOM 1169 CE MET A 74 -10.765 18.054 -1.082 1.00 1.77 C ATOM 0 H MET A 74 -7.938 13.498 -2.318 1.00 1.01 H new ATOM 0 HA MET A 74 -10.346 11.945 -2.234 1.00 1.03 H new ATOM 0 HB2 MET A 74 -11.860 13.957 -2.415 1.00 1.15 H new ATOM 0 HB3 MET A 74 -11.254 13.602 -0.809 1.00 1.15 H new ATOM 0 HG2 MET A 74 -9.488 15.361 -1.137 1.00 1.26 H new ATOM 0 HG3 MET A 74 -10.214 15.755 -2.683 1.00 1.26 H new ATOM 0 HE1 MET A 74 -11.361 18.843 -0.623 1.00 1.77 H new ATOM 0 HE2 MET A 74 -9.782 18.021 -0.612 1.00 1.77 H new ATOM 0 HE3 MET A 74 -10.651 18.258 -2.147 1.00 1.77 H new ATOM 1179 N GLU A 75 -9.874 12.103 -4.676 1.00 1.07 N ATOM 1180 CA GLU A 75 -9.710 12.209 -6.118 1.00 1.14 C ATOM 1181 C GLU A 75 -11.016 11.922 -6.870 1.00 1.13 C ATOM 1182 O GLU A 75 -11.841 12.820 -7.052 1.00 1.31 O ATOM 1183 CB GLU A 75 -8.587 11.280 -6.599 1.00 1.16 C ATOM 1184 CG GLU A 75 -8.254 11.424 -8.080 1.00 1.28 C ATOM 1185 CD GLU A 75 -7.883 12.841 -8.474 1.00 1.49 C ATOM 1186 OE1 GLU A 75 -8.783 13.701 -8.543 1.00 1.65 O ATOM 1187 OE2 GLU A 75 -6.692 13.100 -8.726 1.00 1.89 O ATOM 0 H GLU A 75 -10.046 11.158 -4.334 1.00 1.07 H new ATOM 0 HA GLU A 75 -9.433 13.239 -6.341 1.00 1.14 H new ATOM 0 HB2 GLU A 75 -7.689 11.480 -6.014 1.00 1.16 H new ATOM 0 HB3 GLU A 75 -8.874 10.247 -6.400 1.00 1.16 H new ATOM 0 HG2 GLU A 75 -7.428 10.757 -8.327 1.00 1.28 H new ATOM 0 HG3 GLU A 75 -9.111 11.102 -8.671 1.00 1.28 H new ATOM 1194 N THR A 76 -11.209 10.679 -7.288 1.00 1.06 N ATOM 1195 CA THR A 76 -12.390 10.305 -8.048 1.00 1.09 C ATOM 1196 C THR A 76 -13.413 9.551 -7.194 1.00 1.04 C ATOM 1197 O THR A 76 -13.087 9.093 -6.096 1.00 0.98 O ATOM 1198 CB THR A 76 -11.979 9.456 -9.263 1.00 1.13 C ATOM 1199 OG1 THR A 76 -10.679 8.900 -9.041 1.00 1.07 O ATOM 1200 CG2 THR A 76 -11.947 10.296 -10.529 1.00 1.29 C ATOM 0 H THR A 76 -10.560 9.912 -7.112 1.00 1.06 H new ATOM 0 HA THR A 76 -12.870 11.223 -8.387 1.00 1.09 H new ATOM 0 HB THR A 76 -12.714 8.661 -9.387 1.00 1.13 H new ATOM 0 HG1 THR A 76 -10.351 8.493 -9.870 1.00 1.07 H new ATOM 0 HG21 THR A 76 -11.654 9.671 -11.373 1.00 1.29 H new ATOM 0 HG22 THR A 76 -12.937 10.714 -10.714 1.00 1.29 H new ATOM 0 HG23 THR A 76 -11.228 11.106 -10.410 1.00 1.29 H new ATOM 1208 N PRO A 77 -14.668 9.446 -7.696 1.00 1.12 N ATOM 1209 CA PRO A 77 -15.785 8.768 -7.019 1.00 1.14 C ATOM 1210 C PRO A 77 -15.417 7.470 -6.300 1.00 1.01 C ATOM 1211 O PRO A 77 -14.602 6.675 -6.781 1.00 0.94 O ATOM 1212 CB PRO A 77 -16.735 8.472 -8.174 1.00 1.26 C ATOM 1213 CG PRO A 77 -16.557 9.620 -9.095 1.00 1.36 C ATOM 1214 CD PRO A 77 -15.111 10.023 -8.985 1.00 1.24 C ATOM 0 HA PRO A 77 -16.188 9.391 -6.220 1.00 1.14 H new ATOM 0 HB2 PRO A 77 -16.488 7.529 -8.661 1.00 1.26 H new ATOM 0 HB3 PRO A 77 -17.767 8.393 -7.831 1.00 1.26 H new ATOM 0 HG2 PRO A 77 -16.807 9.341 -10.119 1.00 1.36 H new ATOM 0 HG3 PRO A 77 -17.214 10.446 -8.820 1.00 1.36 H new ATOM 0 HD2 PRO A 77 -14.525 9.634 -9.818 1.00 1.24 H new ATOM 0 HD3 PRO A 77 -14.998 11.107 -8.995 1.00 1.24 H new ATOM 1222 N LEU A 78 -16.081 7.254 -5.164 1.00 1.03 N ATOM 1223 CA LEU A 78 -15.872 6.079 -4.317 1.00 0.97 C ATOM 1224 C LEU A 78 -16.242 4.796 -5.054 1.00 0.95 C ATOM 1225 O LEU A 78 -15.717 3.723 -4.761 1.00 0.87 O ATOM 1226 CB LEU A 78 -16.715 6.179 -3.033 1.00 1.07 C ATOM 1227 CG LEU A 78 -16.415 7.371 -2.113 1.00 1.18 C ATOM 1228 CD1 LEU A 78 -17.106 8.633 -2.607 1.00 1.65 C ATOM 1229 CD2 LEU A 78 -16.847 7.061 -0.688 1.00 1.22 C ATOM 0 H LEU A 78 -16.786 7.896 -4.802 1.00 1.03 H new ATOM 0 HA LEU A 78 -14.814 6.049 -4.059 1.00 0.97 H new ATOM 0 HB2 LEU A 78 -17.767 6.222 -3.317 1.00 1.07 H new ATOM 0 HB3 LEU A 78 -16.577 5.262 -2.461 1.00 1.07 H new ATOM 0 HG LEU A 78 -15.339 7.545 -2.128 1.00 1.18 H new ATOM 0 HD11 LEU A 78 -16.876 9.460 -1.936 1.00 1.65 H new ATOM 0 HD12 LEU A 78 -16.754 8.871 -3.611 1.00 1.65 H new ATOM 0 HD13 LEU A 78 -18.184 8.473 -2.629 1.00 1.65 H new ATOM 0 HD21 LEU A 78 -16.628 7.915 -0.047 1.00 1.22 H new ATOM 0 HD22 LEU A 78 -17.918 6.858 -0.668 1.00 1.22 H new ATOM 0 HD23 LEU A 78 -16.305 6.187 -0.325 1.00 1.22 H new ATOM 1241 N SER A 79 -17.139 4.920 -6.023 1.00 1.07 N ATOM 1242 CA SER A 79 -17.592 3.782 -6.811 1.00 1.12 C ATOM 1243 C SER A 79 -16.444 3.168 -7.613 1.00 1.00 C ATOM 1244 O SER A 79 -16.554 2.050 -8.121 1.00 1.04 O ATOM 1245 CB SER A 79 -18.708 4.233 -7.750 1.00 1.31 C ATOM 1246 OG SER A 79 -19.528 5.205 -7.122 1.00 1.68 O ATOM 0 H SER A 79 -17.571 5.807 -6.284 1.00 1.07 H new ATOM 0 HA SER A 79 -17.967 3.016 -6.132 1.00 1.12 H new ATOM 0 HB2 SER A 79 -18.278 4.647 -8.662 1.00 1.31 H new ATOM 0 HB3 SER A 79 -19.312 3.375 -8.044 1.00 1.31 H new ATOM 0 HG SER A 79 -20.236 5.483 -7.739 1.00 1.68 H new ATOM 1252 N ALA A 80 -15.343 3.902 -7.719 1.00 0.93 N ATOM 1253 CA ALA A 80 -14.181 3.431 -8.449 1.00 0.88 C ATOM 1254 C ALA A 80 -12.978 3.303 -7.519 1.00 0.74 C ATOM 1255 O ALA A 80 -11.846 3.131 -7.969 1.00 0.81 O ATOM 1256 CB ALA A 80 -13.867 4.372 -9.603 1.00 1.02 C ATOM 0 H ALA A 80 -15.234 4.828 -7.306 1.00 0.93 H new ATOM 0 HA ALA A 80 -14.404 2.445 -8.856 1.00 0.88 H new ATOM 0 HB1 ALA A 80 -12.993 4.007 -10.143 1.00 1.02 H new ATOM 0 HB2 ALA A 80 -14.720 4.414 -10.280 1.00 1.02 H new ATOM 0 HB3 ALA A 80 -13.663 5.369 -9.214 1.00 1.02 H new ATOM 1262 N LEU A 81 -13.235 3.356 -6.216 1.00 0.66 N ATOM 1263 CA LEU A 81 -12.176 3.263 -5.210 1.00 0.55 C ATOM 1264 C LEU A 81 -11.784 1.811 -4.945 1.00 0.52 C ATOM 1265 O LEU A 81 -11.176 1.495 -3.921 1.00 0.56 O ATOM 1266 CB LEU A 81 -12.637 3.916 -3.903 1.00 0.59 C ATOM 1267 CG LEU A 81 -11.839 5.144 -3.457 1.00 0.59 C ATOM 1268 CD1 LEU A 81 -10.409 4.756 -3.114 1.00 0.49 C ATOM 1269 CD2 LEU A 81 -11.860 6.221 -4.530 1.00 0.75 C ATOM 0 H LEU A 81 -14.172 3.463 -5.828 1.00 0.66 H new ATOM 0 HA LEU A 81 -11.302 3.788 -5.596 1.00 0.55 H new ATOM 0 HB2 LEU A 81 -13.682 4.205 -4.012 1.00 0.59 H new ATOM 0 HB3 LEU A 81 -12.593 3.169 -3.110 1.00 0.59 H new ATOM 0 HG LEU A 81 -12.309 5.549 -2.561 1.00 0.59 H new ATOM 0 HD11 LEU A 81 -9.857 5.642 -2.799 1.00 0.49 H new ATOM 0 HD12 LEU A 81 -10.414 4.025 -2.305 1.00 0.49 H new ATOM 0 HD13 LEU A 81 -9.929 4.323 -3.991 1.00 0.49 H new ATOM 0 HD21 LEU A 81 -11.287 7.084 -4.191 1.00 0.75 H new ATOM 0 HD22 LEU A 81 -11.419 5.830 -5.447 1.00 0.75 H new ATOM 0 HD23 LEU A 81 -12.890 6.523 -4.723 1.00 0.75 H new ATOM 1281 N GLY A 82 -12.114 0.939 -5.878 1.00 0.59 N ATOM 1282 CA GLY A 82 -11.807 -0.463 -5.719 1.00 0.62 C ATOM 1283 C GLY A 82 -12.935 -1.186 -5.025 1.00 0.63 C ATOM 1284 O GLY A 82 -12.812 -1.565 -3.865 1.00 0.64 O ATOM 0 H GLY A 82 -12.591 1.177 -6.747 1.00 0.59 H new ATOM 0 HA2 GLY A 82 -11.628 -0.913 -6.695 1.00 0.62 H new ATOM 0 HA3 GLY A 82 -10.889 -0.575 -5.143 1.00 0.62 H new ATOM 1288 N MET A 83 -14.037 -1.371 -5.747 1.00 0.84 N ATOM 1289 CA MET A 83 -15.221 -2.038 -5.205 1.00 1.01 C ATOM 1290 C MET A 83 -14.962 -3.522 -4.948 1.00 0.98 C ATOM 1291 O MET A 83 -15.802 -4.212 -4.372 1.00 1.26 O ATOM 1292 CB MET A 83 -16.417 -1.865 -6.148 1.00 1.34 C ATOM 1293 CG MET A 83 -16.308 -2.661 -7.435 1.00 1.54 C ATOM 1294 SD MET A 83 -17.692 -2.362 -8.551 1.00 2.03 S ATOM 1295 CE MET A 83 -17.317 -3.523 -9.858 1.00 2.27 C ATOM 0 H MET A 83 -14.136 -1.067 -6.715 1.00 0.84 H new ATOM 0 HA MET A 83 -15.453 -1.568 -4.249 1.00 1.01 H new ATOM 0 HB2 MET A 83 -17.325 -2.163 -5.624 1.00 1.34 H new ATOM 0 HB3 MET A 83 -16.523 -0.808 -6.394 1.00 1.34 H new ATOM 0 HG2 MET A 83 -15.377 -2.404 -7.940 1.00 1.54 H new ATOM 0 HG3 MET A 83 -16.260 -3.724 -7.198 1.00 1.54 H new ATOM 0 HE1 MET A 83 -18.083 -3.461 -10.631 1.00 2.27 H new ATOM 0 HE2 MET A 83 -16.346 -3.283 -10.290 1.00 2.27 H new ATOM 0 HE3 MET A 83 -17.293 -4.534 -9.451 1.00 2.27 H new ATOM 1305 N GLN A 84 -13.810 -4.016 -5.394 1.00 0.89 N ATOM 1306 CA GLN A 84 -13.454 -5.407 -5.169 1.00 0.89 C ATOM 1307 C GLN A 84 -12.947 -5.562 -3.739 1.00 0.84 C ATOM 1308 O GLN A 84 -12.958 -4.599 -2.974 1.00 1.06 O ATOM 1309 CB GLN A 84 -12.414 -5.891 -6.193 1.00 0.92 C ATOM 1310 CG GLN A 84 -11.122 -5.090 -6.221 1.00 0.99 C ATOM 1311 CD GLN A 84 -10.246 -5.442 -7.414 1.00 1.05 C ATOM 1312 OE1 GLN A 84 -9.017 -5.470 -7.315 1.00 1.20 O ATOM 1313 NE2 GLN A 84 -10.869 -5.697 -8.554 1.00 1.38 N ATOM 0 H GLN A 84 -13.115 -3.476 -5.909 1.00 0.89 H new ATOM 0 HA GLN A 84 -14.337 -6.032 -5.304 1.00 0.89 H new ATOM 0 HB2 GLN A 84 -12.174 -6.933 -5.981 1.00 0.92 H new ATOM 0 HB3 GLN A 84 -12.863 -5.863 -7.186 1.00 0.92 H new ATOM 0 HG2 GLN A 84 -11.358 -4.026 -6.249 1.00 0.99 H new ATOM 0 HG3 GLN A 84 -10.567 -5.270 -5.300 1.00 0.99 H new ATOM 0 HE21 GLN A 84 -11.888 -5.664 -8.597 1.00 1.38 H new ATOM 0 HE22 GLN A 84 -10.330 -5.926 -9.389 1.00 1.38 H new ATOM 1322 N ASN A 85 -12.498 -6.751 -3.368 1.00 0.74 N ATOM 1323 CA ASN A 85 -12.031 -6.971 -2.006 1.00 0.78 C ATOM 1324 C ASN A 85 -10.686 -6.296 -1.737 1.00 0.72 C ATOM 1325 O ASN A 85 -9.628 -6.919 -1.819 1.00 0.98 O ATOM 1326 CB ASN A 85 -11.967 -8.468 -1.665 1.00 0.91 C ATOM 1327 CG ASN A 85 -11.293 -9.311 -2.732 1.00 0.91 C ATOM 1328 OD1 ASN A 85 -11.936 -9.769 -3.675 1.00 1.15 O ATOM 1329 ND2 ASN A 85 -10.002 -9.550 -2.576 1.00 1.09 N ATOM 0 H ASN A 85 -12.447 -7.567 -3.978 1.00 0.74 H new ATOM 0 HA ASN A 85 -12.765 -6.505 -1.349 1.00 0.78 H new ATOM 0 HB2 ASN A 85 -11.432 -8.594 -0.724 1.00 0.91 H new ATOM 0 HB3 ASN A 85 -12.980 -8.839 -1.508 1.00 0.91 H new ATOM 0 HD21 ASN A 85 -9.506 -10.132 -3.251 1.00 1.09 H new ATOM 0 HD22 ASN A 85 -9.502 -9.152 -1.781 1.00 1.09 H new ATOM 1336 N GLY A 86 -10.743 -4.999 -1.451 1.00 0.62 N ATOM 1337 CA GLY A 86 -9.552 -4.239 -1.130 1.00 0.57 C ATOM 1338 C GLY A 86 -8.784 -3.759 -2.339 1.00 0.51 C ATOM 1339 O GLY A 86 -8.337 -2.607 -2.367 1.00 0.49 O ATOM 0 H GLY A 86 -11.606 -4.456 -1.436 1.00 0.62 H new ATOM 0 HA2 GLY A 86 -9.836 -3.377 -0.527 1.00 0.57 H new ATOM 0 HA3 GLY A 86 -8.895 -4.855 -0.516 1.00 0.57 H new ATOM 1343 N CYS A 87 -8.641 -4.636 -3.332 1.00 0.59 N ATOM 1344 CA CYS A 87 -7.899 -4.333 -4.552 1.00 0.62 C ATOM 1345 C CYS A 87 -6.402 -4.318 -4.241 1.00 0.65 C ATOM 1346 O CYS A 87 -5.958 -4.938 -3.272 1.00 0.68 O ATOM 1347 CB CYS A 87 -8.354 -2.994 -5.163 1.00 0.62 C ATOM 1348 SG CYS A 87 -7.874 -2.757 -6.891 1.00 0.79 S ATOM 0 H CYS A 87 -9.037 -5.576 -3.312 1.00 0.59 H new ATOM 0 HA CYS A 87 -8.101 -5.107 -5.293 1.00 0.62 H new ATOM 0 HB2 CYS A 87 -9.439 -2.925 -5.088 1.00 0.62 H new ATOM 0 HB3 CYS A 87 -7.941 -2.179 -4.569 1.00 0.62 H new ATOM 0 HG CYS A 87 -8.202 -3.809 -7.581 1.00 0.79 H new ATOM 1354 N ARG A 88 -5.624 -3.629 -5.058 1.00 0.69 N ATOM 1355 CA ARG A 88 -4.185 -3.555 -4.855 1.00 0.77 C ATOM 1356 C ARG A 88 -3.724 -2.111 -4.955 1.00 0.75 C ATOM 1357 O ARG A 88 -4.335 -1.313 -5.662 1.00 0.72 O ATOM 1358 CB ARG A 88 -3.440 -4.409 -5.892 1.00 0.93 C ATOM 1359 CG ARG A 88 -3.848 -5.875 -5.896 1.00 1.03 C ATOM 1360 CD ARG A 88 -4.922 -6.153 -6.938 1.00 1.11 C ATOM 1361 NE ARG A 88 -4.386 -6.103 -8.293 1.00 1.27 N ATOM 1362 CZ ARG A 88 -5.130 -6.025 -9.396 1.00 1.47 C ATOM 1363 NH1 ARG A 88 -6.454 -5.940 -9.315 1.00 1.55 N ATOM 1364 NH2 ARG A 88 -4.544 -6.026 -10.584 1.00 1.74 N ATOM 0 H ARG A 88 -5.964 -3.112 -5.869 1.00 0.69 H new ATOM 0 HA ARG A 88 -3.959 -3.943 -3.862 1.00 0.77 H new ATOM 0 HB2 ARG A 88 -3.614 -3.992 -6.884 1.00 0.93 H new ATOM 0 HB3 ARG A 88 -2.369 -4.341 -5.701 1.00 0.93 H new ATOM 0 HG2 ARG A 88 -2.975 -6.496 -6.097 1.00 1.03 H new ATOM 0 HG3 ARG A 88 -4.217 -6.154 -4.909 1.00 1.03 H new ATOM 0 HD2 ARG A 88 -5.360 -7.134 -6.756 1.00 1.11 H new ATOM 0 HD3 ARG A 88 -5.724 -5.422 -6.837 1.00 1.11 H new ATOM 0 HE ARG A 88 -3.372 -6.130 -8.404 1.00 1.27 H new ATOM 0 HH11 ARG A 88 -6.910 -5.934 -8.403 1.00 1.55 H new ATOM 0 HH12 ARG A 88 -7.014 -5.881 -10.165 1.00 1.55 H new ATOM 0 HH21 ARG A 88 -3.528 -6.086 -10.651 1.00 1.74 H new ATOM 0 HH22 ARG A 88 -5.109 -5.967 -11.431 1.00 1.74 H new ATOM 1378 N VAL A 89 -2.667 -1.778 -4.230 1.00 0.78 N ATOM 1379 CA VAL A 89 -2.115 -0.432 -4.254 1.00 0.79 C ATOM 1380 C VAL A 89 -0.595 -0.483 -4.294 1.00 0.92 C ATOM 1381 O VAL A 89 0.038 -1.185 -3.505 1.00 0.99 O ATOM 1382 CB VAL A 89 -2.568 0.425 -3.044 1.00 0.70 C ATOM 1383 CG1 VAL A 89 -3.982 0.948 -3.248 1.00 0.61 C ATOM 1384 CG2 VAL A 89 -2.474 -0.362 -1.742 1.00 0.69 C ATOM 0 H VAL A 89 -2.173 -2.424 -3.615 1.00 0.78 H new ATOM 0 HA VAL A 89 -2.499 0.043 -5.157 1.00 0.79 H new ATOM 0 HB VAL A 89 -1.892 1.277 -2.973 1.00 0.70 H new ATOM 0 HG11 VAL A 89 -4.277 1.546 -2.386 1.00 0.61 H new ATOM 0 HG12 VAL A 89 -4.016 1.565 -4.146 1.00 0.61 H new ATOM 0 HG13 VAL A 89 -4.668 0.108 -3.359 1.00 0.61 H new ATOM 0 HG21 VAL A 89 -2.798 0.267 -0.913 1.00 0.69 H new ATOM 0 HG22 VAL A 89 -3.114 -1.242 -1.802 1.00 0.69 H new ATOM 0 HG23 VAL A 89 -1.442 -0.674 -1.579 1.00 0.69 H new ATOM 1394 N MET A 90 -0.011 0.245 -5.228 1.00 0.97 N ATOM 1395 CA MET A 90 1.433 0.283 -5.362 1.00 1.10 C ATOM 1396 C MET A 90 1.917 1.720 -5.293 1.00 1.14 C ATOM 1397 O MET A 90 1.259 2.634 -5.801 1.00 1.13 O ATOM 1398 CB MET A 90 1.880 -0.373 -6.679 1.00 1.21 C ATOM 1399 CG MET A 90 2.127 0.612 -7.816 1.00 1.49 C ATOM 1400 SD MET A 90 2.535 -0.198 -9.374 1.00 1.66 S ATOM 1401 CE MET A 90 2.816 1.227 -10.422 1.00 2.09 C ATOM 0 H MET A 90 -0.515 0.818 -5.905 1.00 0.97 H new ATOM 0 HA MET A 90 1.874 -0.282 -4.541 1.00 1.10 H new ATOM 0 HB2 MET A 90 2.794 -0.938 -6.498 1.00 1.21 H new ATOM 0 HB3 MET A 90 1.119 -1.088 -6.992 1.00 1.21 H new ATOM 0 HG2 MET A 90 1.239 1.228 -7.955 1.00 1.49 H new ATOM 0 HG3 MET A 90 2.940 1.283 -7.538 1.00 1.49 H new ATOM 0 HE1 MET A 90 3.080 0.894 -11.426 1.00 2.09 H new ATOM 0 HE2 MET A 90 1.909 1.831 -10.466 1.00 2.09 H new ATOM 0 HE3 MET A 90 3.630 1.825 -10.013 1.00 2.09 H new ATOM 1411 N LEU A 91 3.049 1.923 -4.650 1.00 1.21 N ATOM 1412 CA LEU A 91 3.615 3.251 -4.533 1.00 1.27 C ATOM 1413 C LEU A 91 5.081 3.235 -4.937 1.00 1.41 C ATOM 1414 O LEU A 91 5.842 2.345 -4.551 1.00 1.47 O ATOM 1415 CB LEU A 91 3.395 3.855 -3.120 1.00 1.22 C ATOM 1416 CG LEU A 91 4.215 3.307 -1.924 1.00 1.27 C ATOM 1417 CD1 LEU A 91 4.253 1.787 -1.892 1.00 1.25 C ATOM 1418 CD2 LEU A 91 5.625 3.886 -1.904 1.00 1.42 C ATOM 0 H LEU A 91 3.594 1.187 -4.201 1.00 1.21 H new ATOM 0 HA LEU A 91 3.087 3.910 -5.223 1.00 1.27 H new ATOM 0 HB2 LEU A 91 3.590 4.925 -3.187 1.00 1.22 H new ATOM 0 HB3 LEU A 91 2.339 3.738 -2.874 1.00 1.22 H new ATOM 0 HG LEU A 91 3.699 3.633 -1.021 1.00 1.27 H new ATOM 0 HD11 LEU A 91 4.840 1.456 -1.035 1.00 1.25 H new ATOM 0 HD12 LEU A 91 3.238 1.399 -1.808 1.00 1.25 H new ATOM 0 HD13 LEU A 91 4.709 1.415 -2.810 1.00 1.25 H new ATOM 0 HD21 LEU A 91 6.173 3.481 -1.053 1.00 1.42 H new ATOM 0 HD22 LEU A 91 6.141 3.620 -2.827 1.00 1.42 H new ATOM 0 HD23 LEU A 91 5.571 4.971 -1.818 1.00 1.42 H new ATOM 1430 N ILE A 92 5.457 4.196 -5.758 1.00 1.50 N ATOM 1431 CA ILE A 92 6.826 4.308 -6.220 1.00 1.65 C ATOM 1432 C ILE A 92 7.612 5.217 -5.284 1.00 1.71 C ATOM 1433 O ILE A 92 7.136 6.289 -4.903 1.00 1.89 O ATOM 1434 CB ILE A 92 6.890 4.860 -7.662 1.00 1.74 C ATOM 1435 CG1 ILE A 92 5.823 4.188 -8.531 1.00 1.66 C ATOM 1436 CG2 ILE A 92 8.275 4.637 -8.254 1.00 1.96 C ATOM 1437 CD1 ILE A 92 5.695 4.791 -9.913 1.00 1.79 C ATOM 0 H ILE A 92 4.830 4.914 -6.120 1.00 1.50 H new ATOM 0 HA ILE A 92 7.266 3.311 -6.220 1.00 1.65 H new ATOM 0 HB ILE A 92 6.695 5.932 -7.636 1.00 1.74 H new ATOM 0 HG12 ILE A 92 6.060 3.128 -8.627 1.00 1.66 H new ATOM 0 HG13 ILE A 92 4.860 4.255 -8.025 1.00 1.66 H new ATOM 0 HG21 ILE A 92 8.304 5.031 -9.270 1.00 1.96 H new ATOM 0 HG22 ILE A 92 9.018 5.150 -7.644 1.00 1.96 H new ATOM 0 HG23 ILE A 92 8.495 3.570 -8.272 1.00 1.96 H new ATOM 0 HD11 ILE A 92 4.920 4.264 -10.470 1.00 1.79 H new ATOM 0 HD12 ILE A 92 5.427 5.844 -9.827 1.00 1.79 H new ATOM 0 HD13 ILE A 92 6.645 4.700 -10.439 1.00 1.79 H new ATOM 1449 N GLY A 93 8.796 4.778 -4.891 1.00 1.73 N ATOM 1450 CA GLY A 93 9.619 5.562 -3.998 1.00 1.80 C ATOM 1451 C GLY A 93 10.041 4.769 -2.782 1.00 1.84 C ATOM 1452 O GLY A 93 10.364 3.586 -2.886 1.00 1.89 O ATOM 0 H GLY A 93 9.203 3.888 -5.177 1.00 1.73 H new ATOM 0 HA2 GLY A 93 10.504 5.909 -4.531 1.00 1.80 H new ATOM 0 HA3 GLY A 93 9.069 6.448 -3.681 1.00 1.80 H new ATOM 1456 N GLU A 94 10.023 5.407 -1.625 1.00 1.88 N ATOM 1457 CA GLU A 94 10.412 4.755 -0.389 1.00 1.97 C ATOM 1458 C GLU A 94 9.406 5.068 0.707 1.00 1.80 C ATOM 1459 O GLU A 94 8.525 5.906 0.529 1.00 1.84 O ATOM 1460 CB GLU A 94 11.812 5.208 0.034 1.00 2.22 C ATOM 1461 CG GLU A 94 12.757 4.064 0.365 1.00 2.66 C ATOM 1462 CD GLU A 94 12.487 3.465 1.730 1.00 2.63 C ATOM 1463 OE1 GLU A 94 11.591 2.600 1.840 1.00 2.85 O ATOM 1464 OE2 GLU A 94 13.154 3.876 2.704 1.00 3.03 O ATOM 0 H GLU A 94 9.741 6.381 -1.517 1.00 1.88 H new ATOM 0 HA GLU A 94 10.430 3.678 -0.553 1.00 1.97 H new ATOM 0 HB2 GLU A 94 12.247 5.805 -0.767 1.00 2.22 H new ATOM 0 HB3 GLU A 94 11.725 5.858 0.905 1.00 2.22 H new ATOM 0 HG2 GLU A 94 12.662 3.288 -0.394 1.00 2.66 H new ATOM 0 HG3 GLU A 94 13.785 4.424 0.327 1.00 2.66 H new ATOM 1471 N LYS A 95 9.535 4.382 1.829 1.00 1.82 N ATOM 1472 CA LYS A 95 8.647 4.579 2.960 1.00 1.72 C ATOM 1473 C LYS A 95 9.392 5.235 4.113 1.00 1.77 C ATOM 1474 O LYS A 95 10.596 5.031 4.279 1.00 1.96 O ATOM 1475 CB LYS A 95 8.074 3.241 3.424 1.00 1.81 C ATOM 1476 CG LYS A 95 7.098 2.613 2.445 1.00 1.79 C ATOM 1477 CD LYS A 95 6.478 1.357 3.030 1.00 2.06 C ATOM 1478 CE LYS A 95 5.267 0.899 2.238 1.00 2.15 C ATOM 1479 NZ LYS A 95 4.778 -0.421 2.719 1.00 2.38 N ATOM 0 H LYS A 95 10.255 3.676 1.981 1.00 1.82 H new ATOM 0 HA LYS A 95 7.832 5.230 2.643 1.00 1.72 H new ATOM 0 HB2 LYS A 95 8.896 2.546 3.598 1.00 1.81 H new ATOM 0 HB3 LYS A 95 7.571 3.385 4.380 1.00 1.81 H new ATOM 0 HG2 LYS A 95 6.314 3.329 2.197 1.00 1.79 H new ATOM 0 HG3 LYS A 95 7.614 2.370 1.516 1.00 1.79 H new ATOM 0 HD2 LYS A 95 7.222 0.560 3.048 1.00 2.06 H new ATOM 0 HD3 LYS A 95 6.186 1.544 4.063 1.00 2.06 H new ATOM 0 HE2 LYS A 95 4.471 1.639 2.325 1.00 2.15 H new ATOM 0 HE3 LYS A 95 5.525 0.831 1.181 1.00 2.15 H new ATOM 0 HZ1 LYS A 95 3.828 -0.601 2.335 1.00 2.38 H new ATOM 0 HZ2 LYS A 95 5.427 -1.169 2.401 1.00 2.38 H new ATOM 0 HZ3 LYS A 95 4.736 -0.418 3.758 1.00 2.38 H new ATOM 1493 N SER A 96 8.679 6.010 4.915 1.00 1.80 N ATOM 1494 CA SER A 96 9.278 6.679 6.059 1.00 1.92 C ATOM 1495 C SER A 96 9.357 5.729 7.251 1.00 1.83 C ATOM 1496 O SER A 96 8.849 6.019 8.335 1.00 1.95 O ATOM 1497 CB SER A 96 8.468 7.925 6.415 1.00 2.15 C ATOM 1498 OG SER A 96 8.362 8.790 5.298 1.00 2.38 O ATOM 0 H SER A 96 7.683 6.192 4.794 1.00 1.80 H new ATOM 0 HA SER A 96 10.292 6.983 5.800 1.00 1.92 H new ATOM 0 HB2 SER A 96 7.473 7.634 6.751 1.00 2.15 H new ATOM 0 HB3 SER A 96 8.944 8.450 7.244 1.00 2.15 H new ATOM 0 HG SER A 96 9.067 8.577 4.651 1.00 2.38 H new ATOM 1504 N ASN A 97 10.000 4.594 7.039 1.00 1.89 N ATOM 1505 CA ASN A 97 10.148 3.591 8.078 1.00 1.93 C ATOM 1506 C ASN A 97 11.618 3.267 8.279 1.00 2.29 C ATOM 1507 O ASN A 97 12.317 3.052 7.269 1.00 2.53 O ATOM 1508 CB ASN A 97 9.377 2.322 7.708 1.00 1.89 C ATOM 1509 CG ASN A 97 9.433 1.261 8.792 1.00 2.00 C ATOM 1510 OD1 ASN A 97 10.359 0.449 8.839 1.00 2.24 O ATOM 1511 ND2 ASN A 97 8.442 1.258 9.670 1.00 1.96 N ATOM 1512 OXT ASN A 97 12.069 3.232 9.438 1.00 2.61 O ATOM 0 H ASN A 97 10.431 4.343 6.149 1.00 1.89 H new ATOM 0 HA ASN A 97 9.740 3.987 9.008 1.00 1.93 H new ATOM 0 HB2 ASN A 97 8.336 2.579 7.512 1.00 1.89 H new ATOM 0 HB3 ASN A 97 9.784 1.912 6.784 1.00 1.89 H new ATOM 0 HD21 ASN A 97 8.427 0.566 10.420 1.00 1.96 H new ATOM 0 HD22 ASN A 97 7.694 1.947 9.597 1.00 1.96 H new ATOM 1609 N ARG B 189 16.021 -2.222 3.785 1.00 2.02 N ATOM 1610 CA ARG B 189 16.289 -2.430 2.361 1.00 1.77 C ATOM 1611 C ARG B 189 16.491 -1.109 1.629 1.00 1.33 C ATOM 1612 O ARG B 189 15.685 -0.718 0.785 1.00 1.67 O ATOM 1613 CB ARG B 189 15.171 -3.233 1.693 1.00 2.37 C ATOM 1614 CG ARG B 189 15.015 -4.636 2.253 1.00 3.12 C ATOM 1615 CD ARG B 189 13.900 -4.704 3.285 1.00 3.82 C ATOM 1616 NE ARG B 189 12.723 -5.403 2.775 1.00 4.33 N ATOM 1617 CZ ARG B 189 11.555 -4.820 2.506 1.00 4.83 C ATOM 1618 NH1 ARG B 189 11.419 -3.499 2.592 1.00 4.91 N ATOM 1619 NH2 ARG B 189 10.531 -5.559 2.112 1.00 5.48 N ATOM 0 HA ARG B 189 17.214 -3.003 2.295 1.00 1.77 H new ATOM 0 HB2 ARG B 189 14.229 -2.697 1.810 1.00 2.37 H new ATOM 0 HB3 ARG B 189 15.370 -3.297 0.623 1.00 2.37 H new ATOM 0 HG2 ARG B 189 14.803 -5.331 1.441 1.00 3.12 H new ATOM 0 HG3 ARG B 189 15.953 -4.954 2.708 1.00 3.12 H new ATOM 0 HD2 ARG B 189 14.264 -5.211 4.179 1.00 3.82 H new ATOM 0 HD3 ARG B 189 13.620 -3.694 3.583 1.00 3.82 H new ATOM 0 HE ARG B 189 12.800 -6.407 2.614 1.00 4.33 H new ATOM 0 HH11 ARG B 189 12.214 -2.921 2.866 1.00 4.91 H new ATOM 0 HH12 ARG B 189 10.520 -3.064 2.384 1.00 4.91 H new ATOM 0 HH21 ARG B 189 10.638 -6.569 2.016 1.00 5.48 H new ATOM 0 HH22 ARG B 189 9.634 -5.119 1.905 1.00 5.48 H new ATOM 1633 N GLY B 190 17.568 -0.422 1.968 1.00 1.17 N ATOM 1634 CA GLY B 190 17.873 0.838 1.324 1.00 1.54 C ATOM 1635 C GLY B 190 18.977 0.686 0.306 1.00 1.70 C ATOM 1636 O GLY B 190 20.059 1.251 0.466 1.00 1.97 O ATOM 0 H GLY B 190 18.239 -0.714 2.679 1.00 1.17 H new ATOM 0 HA2 GLY B 190 16.978 1.225 0.837 1.00 1.54 H new ATOM 0 HA3 GLY B 190 18.168 1.570 2.076 1.00 1.54 H new ATOM 1640 N GLY B 191 18.710 -0.094 -0.735 1.00 1.91 N ATOM 1641 CA GLY B 191 19.703 -0.326 -1.767 1.00 2.36 C ATOM 1642 C GLY B 191 20.577 -1.516 -1.435 1.00 2.17 C ATOM 1643 O GLY B 191 21.411 -1.937 -2.237 1.00 2.71 O ATOM 0 H GLY B 191 17.821 -0.571 -0.883 1.00 1.91 H new ATOM 0 HA2 GLY B 191 19.205 -0.494 -2.722 1.00 2.36 H new ATOM 0 HA3 GLY B 191 20.324 0.562 -1.883 1.00 2.36 H new ATOM 1647 N TYR B 192 20.365 -2.049 -0.245 1.00 1.71 N ATOM 1648 CA TYR B 192 21.097 -3.193 0.264 1.00 1.86 C ATOM 1649 C TYR B 192 20.349 -3.706 1.486 1.00 1.87 C ATOM 1650 O TYR B 192 19.223 -3.273 1.729 1.00 2.21 O ATOM 1651 CB TYR B 192 22.539 -2.794 0.624 1.00 1.91 C ATOM 1652 CG TYR B 192 23.510 -3.958 0.716 1.00 2.45 C ATOM 1653 CD1 TYR B 192 23.609 -4.891 -0.310 1.00 2.95 C ATOM 1654 CD2 TYR B 192 24.332 -4.118 1.829 1.00 2.80 C ATOM 1655 CE1 TYR B 192 24.501 -5.944 -0.232 1.00 3.62 C ATOM 1656 CE2 TYR B 192 25.225 -5.171 1.913 1.00 3.41 C ATOM 1657 CZ TYR B 192 25.304 -6.081 0.880 1.00 3.77 C ATOM 1658 OH TYR B 192 26.198 -7.126 0.953 1.00 4.48 O ATOM 0 H TYR B 192 19.666 -1.692 0.406 1.00 1.71 H new ATOM 0 HA TYR B 192 21.162 -3.976 -0.492 1.00 1.86 H new ATOM 0 HB2 TYR B 192 22.905 -2.090 -0.123 1.00 1.91 H new ATOM 0 HB3 TYR B 192 22.530 -2.269 1.579 1.00 1.91 H new ATOM 0 HD1 TYR B 192 22.979 -4.791 -1.182 1.00 2.95 H new ATOM 0 HD2 TYR B 192 24.271 -3.408 2.640 1.00 2.80 H new ATOM 0 HE1 TYR B 192 24.569 -6.657 -1.040 1.00 3.62 H new ATOM 0 HE2 TYR B 192 25.857 -5.280 2.782 1.00 3.41 H new ATOM 0 HH TYR B 192 26.688 -7.079 1.800 1.00 4.48 H new ATOM 1668 N ASP B 193 20.963 -4.606 2.251 1.00 2.08 N ATOM 1669 CA ASP B 193 20.330 -5.159 3.451 1.00 2.57 C ATOM 1670 C ASP B 193 19.781 -4.049 4.342 1.00 2.39 C ATOM 1671 O ASP B 193 18.665 -4.144 4.849 1.00 2.59 O ATOM 1672 CB ASP B 193 21.328 -6.000 4.243 1.00 3.18 C ATOM 1673 CG ASP B 193 20.717 -6.584 5.504 1.00 3.84 C ATOM 1674 OD1 ASP B 193 19.926 -7.541 5.401 1.00 4.22 O ATOM 1675 OD2 ASP B 193 21.032 -6.091 6.608 1.00 4.14 O ATOM 0 H ASP B 193 21.898 -4.969 2.063 1.00 2.08 H new ATOM 0 HA ASP B 193 19.503 -5.791 3.128 1.00 2.57 H new ATOM 0 HB2 ASP B 193 21.698 -6.809 3.613 1.00 3.18 H new ATOM 0 HB3 ASP B 193 22.187 -5.385 4.510 1.00 3.18 H new ATOM 1680 N VAL B 194 20.570 -2.993 4.514 1.00 2.39 N ATOM 1681 CA VAL B 194 20.169 -1.852 5.330 1.00 2.62 C ATOM 1682 C VAL B 194 21.246 -0.765 5.297 1.00 2.80 C ATOM 1683 O VAL B 194 20.949 0.425 5.363 1.00 3.15 O ATOM 1684 CB VAL B 194 19.873 -2.270 6.795 1.00 3.43 C ATOM 1685 CG1 VAL B 194 21.132 -2.761 7.495 1.00 3.97 C ATOM 1686 CG2 VAL B 194 19.225 -1.130 7.573 1.00 3.78 C ATOM 0 H VAL B 194 21.496 -2.904 4.096 1.00 2.39 H new ATOM 0 HA VAL B 194 19.248 -1.453 4.905 1.00 2.62 H new ATOM 0 HB VAL B 194 19.165 -3.099 6.764 1.00 3.43 H new ATOM 0 HG11 VAL B 194 20.891 -3.046 8.519 1.00 3.97 H new ATOM 0 HG12 VAL B 194 21.531 -3.624 6.962 1.00 3.97 H new ATOM 0 HG13 VAL B 194 21.876 -1.965 7.506 1.00 3.97 H new ATOM 0 HG21 VAL B 194 19.029 -1.452 8.596 1.00 3.78 H new ATOM 0 HG22 VAL B 194 19.896 -0.271 7.585 1.00 3.78 H new ATOM 0 HG23 VAL B 194 18.286 -0.851 7.095 1.00 3.78 H new ATOM 1696 N GLU B 195 22.497 -1.185 5.166 1.00 2.75 N ATOM 1697 CA GLU B 195 23.616 -0.252 5.125 1.00 3.12 C ATOM 1698 C GLU B 195 23.753 0.373 3.735 1.00 2.88 C ATOM 1699 O GLU B 195 23.184 -0.129 2.765 1.00 2.39 O ATOM 1700 CB GLU B 195 24.908 -0.974 5.523 1.00 3.40 C ATOM 1701 CG GLU B 195 26.064 -0.041 5.851 1.00 4.16 C ATOM 1702 CD GLU B 195 25.652 1.111 6.746 1.00 4.65 C ATOM 1703 OE1 GLU B 195 25.232 2.159 6.217 1.00 4.87 O ATOM 1704 OE2 GLU B 195 25.744 0.974 7.980 1.00 5.02 O ATOM 0 H GLU B 195 22.763 -2.166 5.086 1.00 2.75 H new ATOM 0 HA GLU B 195 23.427 0.553 5.836 1.00 3.12 H new ATOM 0 HB2 GLU B 195 24.707 -1.605 6.389 1.00 3.40 H new ATOM 0 HB3 GLU B 195 25.208 -1.635 4.710 1.00 3.40 H new ATOM 0 HG2 GLU B 195 26.856 -0.609 6.339 1.00 4.16 H new ATOM 0 HG3 GLU B 195 26.480 0.355 4.924 1.00 4.16 H new ATOM 1711 N ASN B 196 24.508 1.469 3.660 1.00 3.43 N ATOM 1712 CA ASN B 196 24.738 2.191 2.408 1.00 3.64 C ATOM 1713 C ASN B 196 25.377 1.292 1.350 1.00 3.41 C ATOM 1714 O ASN B 196 25.041 1.390 0.167 1.00 3.56 O ATOM 1715 CB ASN B 196 25.633 3.409 2.670 1.00 4.47 C ATOM 1716 CG ASN B 196 25.841 4.270 1.435 1.00 4.94 C ATOM 1717 OD1 ASN B 196 24.962 5.032 1.044 1.00 5.26 O ATOM 1718 ND2 ASN B 196 27.012 4.168 0.826 1.00 5.14 N ATOM 0 H ASN B 196 24.978 1.882 4.466 1.00 3.43 H new ATOM 0 HA ASN B 196 23.772 2.520 2.026 1.00 3.64 H new ATOM 0 HB2 ASN B 196 25.189 4.016 3.459 1.00 4.47 H new ATOM 0 HB3 ASN B 196 26.602 3.069 3.036 1.00 4.47 H new ATOM 0 HD21 ASN B 196 27.209 4.735 0.001 1.00 5.14 H new ATOM 0 HD22 ASN B 196 27.717 3.523 1.182 1.00 5.14 H new ATOM 1725 N GLU B 197 26.294 0.422 1.794 1.00 3.29 N ATOM 1726 CA GLU B 197 27.001 -0.512 0.908 1.00 3.26 C ATOM 1727 C GLU B 197 28.041 0.227 0.055 1.00 3.82 C ATOM 1728 O GLU B 197 27.825 1.362 -0.368 1.00 4.30 O ATOM 1729 CB GLU B 197 25.995 -1.290 0.036 1.00 2.93 C ATOM 1730 CG GLU B 197 26.593 -1.985 -1.177 1.00 3.10 C ATOM 1731 CD GLU B 197 27.443 -3.184 -0.820 1.00 3.38 C ATOM 1732 OE1 GLU B 197 28.537 -2.992 -0.248 1.00 3.60 O ATOM 1733 OE2 GLU B 197 27.041 -4.313 -1.146 1.00 3.83 O ATOM 0 H GLU B 197 26.566 0.346 2.774 1.00 3.29 H new ATOM 0 HA GLU B 197 27.540 -1.236 1.520 1.00 3.26 H new ATOM 0 HB2 GLU B 197 25.502 -2.038 0.657 1.00 2.93 H new ATOM 0 HB3 GLU B 197 25.223 -0.600 -0.304 1.00 2.93 H new ATOM 0 HG2 GLU B 197 25.787 -2.303 -1.839 1.00 3.10 H new ATOM 0 HG3 GLU B 197 27.200 -1.271 -1.734 1.00 3.10 H new ATOM 1740 N GLU B 198 29.176 -0.421 -0.181 1.00 3.91 N ATOM 1741 CA GLU B 198 30.256 0.175 -0.959 1.00 4.52 C ATOM 1742 C GLU B 198 30.529 -0.612 -2.237 1.00 4.64 C ATOM 1743 O GLU B 198 31.348 -0.205 -3.060 1.00 5.16 O ATOM 1744 CB GLU B 198 31.530 0.258 -0.118 1.00 4.90 C ATOM 1745 CG GLU B 198 31.592 1.487 0.774 1.00 5.36 C ATOM 1746 CD GLU B 198 31.892 2.760 0.004 1.00 5.99 C ATOM 1747 OE1 GLU B 198 31.424 2.899 -1.148 1.00 6.45 O ATOM 1748 OE2 GLU B 198 32.591 3.637 0.549 1.00 6.25 O ATOM 0 H GLU B 198 29.373 -1.363 0.157 1.00 3.91 H new ATOM 0 HA GLU B 198 29.942 1.180 -1.243 1.00 4.52 H new ATOM 0 HB2 GLU B 198 31.604 -0.635 0.503 1.00 4.90 H new ATOM 0 HB3 GLU B 198 32.394 0.258 -0.782 1.00 4.90 H new ATOM 0 HG2 GLU B 198 30.642 1.599 1.296 1.00 5.36 H new ATOM 0 HG3 GLU B 198 32.358 1.339 1.535 1.00 5.36 H new ATOM 1755 N LYS B 199 29.872 -1.751 -2.387 1.00 4.32 N ATOM 1756 CA LYS B 199 30.040 -2.572 -3.579 1.00 4.64 C ATOM 1757 C LYS B 199 29.054 -2.130 -4.653 1.00 4.89 C ATOM 1758 O LYS B 199 29.425 -1.929 -5.810 1.00 5.53 O ATOM 1759 CB LYS B 199 29.831 -4.045 -3.235 1.00 4.38 C ATOM 1760 CG LYS B 199 30.472 -5.002 -4.225 1.00 4.54 C ATOM 1761 CD LYS B 199 30.257 -6.453 -3.821 1.00 4.53 C ATOM 1762 CE LYS B 199 30.988 -6.794 -2.530 1.00 4.41 C ATOM 1763 NZ LYS B 199 32.462 -6.635 -2.664 1.00 4.56 N ATOM 0 H LYS B 199 29.219 -2.129 -1.701 1.00 4.32 H new ATOM 0 HA LYS B 199 31.053 -2.447 -3.960 1.00 4.64 H new ATOM 0 HB2 LYS B 199 30.237 -4.238 -2.242 1.00 4.38 H new ATOM 0 HB3 LYS B 199 28.761 -4.249 -3.187 1.00 4.38 H new ATOM 0 HG2 LYS B 199 30.053 -4.834 -5.217 1.00 4.54 H new ATOM 0 HG3 LYS B 199 31.540 -4.797 -4.291 1.00 4.54 H new ATOM 0 HD2 LYS B 199 29.191 -6.641 -3.696 1.00 4.53 H new ATOM 0 HD3 LYS B 199 30.605 -7.108 -4.620 1.00 4.53 H new ATOM 0 HE2 LYS B 199 30.626 -6.151 -1.728 1.00 4.41 H new ATOM 0 HE3 LYS B 199 30.759 -7.821 -2.244 1.00 4.41 H new ATOM 0 HZ1 LYS B 199 32.936 -7.109 -1.869 1.00 4.56 H new ATOM 0 HZ2 LYS B 199 32.777 -7.061 -3.559 1.00 4.56 H new ATOM 0 HZ3 LYS B 199 32.704 -5.624 -2.658 1.00 4.56 H new ATOM 1777 N VAL B 200 27.798 -1.976 -4.238 1.00 4.46 N ATOM 1778 CA VAL B 200 26.709 -1.538 -5.110 1.00 4.74 C ATOM 1779 C VAL B 200 26.636 -2.362 -6.397 1.00 5.32 C ATOM 1780 O VAL B 200 27.043 -1.903 -7.464 1.00 5.99 O ATOM 1781 CB VAL B 200 26.830 -0.039 -5.473 1.00 5.22 C ATOM 1782 CG1 VAL B 200 25.533 0.478 -6.078 1.00 5.43 C ATOM 1783 CG2 VAL B 200 27.217 0.787 -4.255 1.00 4.96 C ATOM 0 H VAL B 200 27.504 -2.153 -3.277 1.00 4.46 H new ATOM 0 HA VAL B 200 25.791 -1.693 -4.542 1.00 4.74 H new ATOM 0 HB VAL B 200 27.620 0.062 -6.217 1.00 5.22 H new ATOM 0 HG11 VAL B 200 25.642 1.534 -6.325 1.00 5.43 H new ATOM 0 HG12 VAL B 200 25.304 -0.085 -6.983 1.00 5.43 H new ATOM 0 HG13 VAL B 200 24.722 0.355 -5.360 1.00 5.43 H new ATOM 0 HG21 VAL B 200 27.295 1.837 -4.537 1.00 4.96 H new ATOM 0 HG22 VAL B 200 26.456 0.675 -3.483 1.00 4.96 H new ATOM 0 HG23 VAL B 200 28.177 0.442 -3.871 1.00 4.96 H new ATOM 1793 N LYS B 201 26.134 -3.586 -6.292 1.00 5.18 N ATOM 1794 CA LYS B 201 26.006 -4.450 -7.463 1.00 5.84 C ATOM 1795 C LYS B 201 24.940 -5.528 -7.254 1.00 5.78 C ATOM 1796 O LYS B 201 24.558 -6.225 -8.196 1.00 6.37 O ATOM 1797 CB LYS B 201 27.361 -5.092 -7.810 1.00 6.17 C ATOM 1798 CG LYS B 201 27.669 -6.368 -7.031 1.00 5.81 C ATOM 1799 CD LYS B 201 29.063 -6.901 -7.338 1.00 6.12 C ATOM 1800 CE LYS B 201 29.260 -7.181 -8.823 1.00 6.82 C ATOM 1801 NZ LYS B 201 28.336 -8.232 -9.330 1.00 7.02 N ATOM 0 H LYS B 201 25.811 -4.001 -5.418 1.00 5.18 H new ATOM 0 HA LYS B 201 25.687 -3.828 -8.299 1.00 5.84 H new ATOM 0 HB2 LYS B 201 27.381 -5.317 -8.876 1.00 6.17 H new ATOM 0 HB3 LYS B 201 28.152 -4.366 -7.623 1.00 6.17 H new ATOM 0 HG2 LYS B 201 27.584 -6.170 -5.963 1.00 5.81 H new ATOM 0 HG3 LYS B 201 26.928 -7.129 -7.274 1.00 5.81 H new ATOM 0 HD2 LYS B 201 29.808 -6.178 -7.005 1.00 6.12 H new ATOM 0 HD3 LYS B 201 29.232 -7.817 -6.772 1.00 6.12 H new ATOM 0 HE2 LYS B 201 29.104 -6.261 -9.387 1.00 6.82 H new ATOM 0 HE3 LYS B 201 30.290 -7.492 -8.998 1.00 6.82 H new ATOM 0 HZ1 LYS B 201 28.565 -8.447 -10.321 1.00 7.02 H new ATOM 0 HZ2 LYS B 201 28.441 -9.093 -8.756 1.00 7.02 H new ATOM 0 HZ3 LYS B 201 27.355 -7.892 -9.267 1.00 7.02 H new ATOM 1815 N LEU B 202 24.447 -5.655 -6.029 1.00 5.18 N ATOM 1816 CA LEU B 202 23.437 -6.657 -5.715 1.00 5.23 C ATOM 1817 C LEU B 202 22.059 -6.018 -5.596 1.00 4.95 C ATOM 1818 O LEU B 202 21.826 -5.181 -4.726 1.00 4.37 O ATOM 1819 CB LEU B 202 23.795 -7.388 -4.416 1.00 4.91 C ATOM 1820 CG LEU B 202 24.986 -8.345 -4.515 1.00 5.32 C ATOM 1821 CD1 LEU B 202 25.488 -8.715 -3.128 1.00 5.10 C ATOM 1822 CD2 LEU B 202 24.601 -9.597 -5.288 1.00 6.12 C ATOM 0 H LEU B 202 24.730 -5.077 -5.237 1.00 5.18 H new ATOM 0 HA LEU B 202 23.411 -7.380 -6.530 1.00 5.23 H new ATOM 0 HB2 LEU B 202 24.008 -6.646 -3.647 1.00 4.91 H new ATOM 0 HB3 LEU B 202 22.923 -7.951 -4.082 1.00 4.91 H new ATOM 0 HG LEU B 202 25.789 -7.839 -5.052 1.00 5.32 H new ATOM 0 HD11 LEU B 202 26.335 -9.396 -3.217 1.00 5.10 H new ATOM 0 HD12 LEU B 202 25.801 -7.813 -2.602 1.00 5.10 H new ATOM 0 HD13 LEU B 202 24.688 -9.202 -2.569 1.00 5.10 H new ATOM 0 HD21 LEU B 202 25.460 -10.266 -5.348 1.00 6.12 H new ATOM 0 HD22 LEU B 202 23.782 -10.103 -4.776 1.00 6.12 H new ATOM 0 HD23 LEU B 202 24.285 -9.321 -6.294 1.00 6.12 H new ATOM 1834 N GLY B 203 21.151 -6.416 -6.477 1.00 5.44 N ATOM 1835 CA GLY B 203 19.806 -5.879 -6.453 1.00 5.30 C ATOM 1836 C GLY B 203 18.836 -6.811 -5.757 1.00 5.32 C ATOM 1837 O GLY B 203 17.651 -6.508 -5.628 1.00 5.33 O ATOM 0 H GLY B 203 21.324 -7.104 -7.210 1.00 5.44 H new ATOM 0 HA2 GLY B 203 19.810 -4.914 -5.945 1.00 5.30 H new ATOM 0 HA3 GLY B 203 19.468 -5.701 -7.474 1.00 5.30 H new ATOM 1841 N MET B 204 19.348 -7.952 -5.307 1.00 5.45 N ATOM 1842 CA MET B 204 18.535 -8.950 -4.618 1.00 5.69 C ATOM 1843 C MET B 204 17.900 -8.372 -3.354 1.00 5.11 C ATOM 1844 O MET B 204 16.728 -8.617 -3.070 1.00 5.36 O ATOM 1845 CB MET B 204 19.383 -10.181 -4.261 1.00 6.02 C ATOM 1846 CG MET B 204 20.675 -9.850 -3.525 1.00 5.50 C ATOM 1847 SD MET B 204 21.087 -11.058 -2.250 1.00 6.01 S ATOM 1848 CE MET B 204 21.503 -12.489 -3.248 1.00 6.67 C ATOM 0 H MET B 204 20.330 -8.210 -5.408 1.00 5.45 H new ATOM 0 HA MET B 204 17.736 -9.251 -5.296 1.00 5.69 H new ATOM 0 HB2 MET B 204 18.787 -10.853 -3.644 1.00 6.02 H new ATOM 0 HB3 MET B 204 19.626 -10.720 -5.177 1.00 6.02 H new ATOM 0 HG2 MET B 204 21.493 -9.795 -4.244 1.00 5.50 H new ATOM 0 HG3 MET B 204 20.585 -8.864 -3.069 1.00 5.50 H new ATOM 0 HE1 MET B 204 21.779 -13.319 -2.597 1.00 6.67 H new ATOM 0 HE2 MET B 204 20.642 -12.774 -3.853 1.00 6.67 H new ATOM 0 HE3 MET B 204 22.341 -12.246 -3.901 1.00 6.67 H new ATOM 1858 N THR B 205 18.673 -7.597 -2.611 1.00 4.40 N ATOM 1859 CA THR B 205 18.199 -6.995 -1.374 1.00 3.86 C ATOM 1860 C THR B 205 18.035 -5.487 -1.527 1.00 3.22 C ATOM 1861 O THR B 205 18.161 -4.739 -0.563 1.00 2.61 O ATOM 1862 CB THR B 205 19.186 -7.284 -0.229 1.00 3.67 C ATOM 1863 OG1 THR B 205 20.491 -7.543 -0.774 1.00 3.95 O ATOM 1864 CG2 THR B 205 18.729 -8.476 0.599 1.00 4.16 C ATOM 0 H THR B 205 19.639 -7.368 -2.845 1.00 4.40 H new ATOM 0 HA THR B 205 17.228 -7.433 -1.141 1.00 3.86 H new ATOM 0 HB THR B 205 19.224 -6.411 0.422 1.00 3.67 H new ATOM 0 HG1 THR B 205 21.120 -7.725 -0.045 1.00 3.95 H new ATOM 0 HG21 THR B 205 19.445 -8.658 1.401 1.00 4.16 H new ATOM 0 HG22 THR B 205 17.749 -8.267 1.028 1.00 4.16 H new ATOM 0 HG23 THR B 205 18.666 -9.358 -0.038 1.00 4.16 H new ATOM 1872 N ASN B 206 17.741 -5.048 -2.745 1.00 3.55 N ATOM 1873 CA ASN B 206 17.576 -3.623 -3.019 1.00 3.31 C ATOM 1874 C ASN B 206 16.309 -3.090 -2.368 1.00 3.04 C ATOM 1875 O ASN B 206 16.306 -2.000 -1.798 1.00 2.62 O ATOM 1876 CB ASN B 206 17.535 -3.358 -4.525 1.00 4.07 C ATOM 1877 CG ASN B 206 17.770 -1.896 -4.860 1.00 4.18 C ATOM 1878 OD1 ASN B 206 16.834 -1.097 -4.922 1.00 4.40 O ATOM 1879 ND2 ASN B 206 19.022 -1.537 -5.092 1.00 4.21 N ATOM 0 H ASN B 206 17.612 -5.653 -3.556 1.00 3.55 H new ATOM 0 HA ASN B 206 18.435 -3.103 -2.595 1.00 3.31 H new ATOM 0 HB2 ASN B 206 18.291 -3.968 -5.020 1.00 4.07 H new ATOM 0 HB3 ASN B 206 16.567 -3.668 -4.920 1.00 4.07 H new ATOM 0 HD21 ASN B 206 19.239 -0.570 -5.332 1.00 4.21 H new ATOM 0 HD22 ASN B 206 19.770 -2.228 -5.031 1.00 4.21 H new ATOM 1886 N SER B 207 15.233 -3.856 -2.470 1.00 3.47 N ATOM 1887 CA SER B 207 13.954 -3.474 -1.889 1.00 3.42 C ATOM 1888 C SER B 207 13.216 -4.712 -1.387 1.00 3.82 C ATOM 1889 O SER B 207 11.987 -4.724 -1.298 1.00 4.01 O ATOM 1890 CB SER B 207 13.102 -2.741 -2.931 1.00 3.85 C ATOM 1891 OG SER B 207 13.872 -1.784 -3.640 1.00 3.99 O ATOM 0 H SER B 207 15.221 -4.754 -2.954 1.00 3.47 H new ATOM 0 HA SER B 207 14.135 -2.806 -1.047 1.00 3.42 H new ATOM 0 HB2 SER B 207 12.678 -3.462 -3.631 1.00 3.85 H new ATOM 0 HB3 SER B 207 12.266 -2.246 -2.438 1.00 3.85 H new ATOM 0 HG SER B 207 13.305 -1.332 -4.299 1.00 3.99 H new ATOM 1897 N HIS B 208 13.975 -5.746 -1.050 1.00 4.12 N ATOM 1898 CA HIS B 208 13.404 -6.993 -0.574 1.00 4.71 C ATOM 1899 C HIS B 208 14.142 -7.474 0.664 1.00 4.82 C ATOM 1900 O HIS B 208 13.478 -7.740 1.690 1.00 5.20 O ATOM 1901 CB HIS B 208 13.479 -8.055 -1.671 1.00 5.42 C ATOM 1902 CG HIS B 208 12.723 -9.304 -1.343 1.00 6.08 C ATOM 1903 ND1 HIS B 208 11.399 -9.487 -1.674 1.00 6.30 N ATOM 1904 CD2 HIS B 208 13.112 -10.435 -0.710 1.00 6.75 C ATOM 1905 CE1 HIS B 208 11.007 -10.675 -1.259 1.00 6.95 C ATOM 1906 NE2 HIS B 208 12.026 -11.271 -0.669 1.00 7.22 N ATOM 1907 OXT HIS B 208 15.383 -7.567 0.610 1.00 4.71 O ATOM 0 H HIS B 208 14.994 -5.742 -1.099 1.00 4.12 H new ATOM 0 HA HIS B 208 12.359 -6.822 -0.314 1.00 4.71 H new ATOM 0 HB2 HIS B 208 13.089 -7.636 -2.599 1.00 5.42 H new ATOM 0 HB3 HIS B 208 14.524 -8.308 -1.850 1.00 5.42 H new ATOM 0 HD1 HIS B 208 10.814 -8.810 -2.163 1.00 6.30 H new ATOM 0 HD2 HIS B 208 14.094 -10.641 -0.311 1.00 6.75 H new ATOM 0 HE1 HIS B 208 10.018 -11.091 -1.381 1.00 6.95 H new