USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 668 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 CYS SG : rot 32:sc= 1.28 USER MOD Set 1.2: A 85 TYR OH : rot 85:sc= 1.37 USER MOD Set 2.1: A 27 CYS SG : rot 16:sc= 0.992 USER MOD Set 2.2: A 77 CYS SG : rot -150:sc= 0.854 USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 1 HIS N :NH3+ -150:sc= 0.278 (180deg=0.0411) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 12 HIS : no HD1:sc= 0.131 K(o=0.13,f=-1.2) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 28:sc= 0.101 USER MOD Single : A 20 SER OG : rot -38:sc= 0.573 USER MOD Single : A 22 CYS SG : rot -42:sc= 1.26 USER MOD Single : A 24 MET CE :methyl -111:sc= -0.645 (180deg=-2.41!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -175:sc= -1.04! (180deg=-1.16!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.003 K(o=-0.003,f=-1.6!) USER MOD Single : A 59 HIS : no HD1:sc= -0.15 X(o=-0.15,f=-0.0085) USER MOD Single : A 67 THR OG1 : rot 80:sc= 0.871 USER MOD Single : A 68 GLN : amide:sc= -0.0793 X(o=-0.079,f=-0.26) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.344 X(o=-0.34,f=-0.46) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 123:sc= 0.539 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -14.046 -19.050 -8.376 1.00 42.14 N ATOM 2 CA HIS A 1 -13.961 -17.566 -8.406 1.00 53.43 C ATOM 3 C HIS A 1 -13.928 -17.020 -6.959 1.00 51.43 C ATOM 4 O HIS A 1 -14.958 -16.645 -6.391 1.00 22.14 O ATOM 5 CB HIS A 1 -15.147 -16.992 -9.235 1.00 52.50 C ATOM 6 CG HIS A 1 -15.145 -15.494 -9.408 1.00 51.31 C ATOM 7 ND1 HIS A 1 -15.742 -14.635 -8.511 1.00 34.53 N ATOM 8 CD2 HIS A 1 -14.647 -14.705 -10.392 1.00 54.03 C ATOM 9 CE1 HIS A 1 -15.615 -13.398 -8.932 1.00 24.24 C ATOM 10 NE2 HIS A 1 -14.958 -13.410 -10.068 1.00 61.32 N ATOM 0 H1 HIS A 1 -13.578 -19.442 -9.218 1.00 42.14 H new ATOM 0 H2 HIS A 1 -13.575 -19.408 -7.521 1.00 42.14 H new ATOM 0 H3 HIS A 1 -15.045 -19.340 -8.368 1.00 42.14 H new ATOM 0 HA HIS A 1 -13.040 -17.247 -8.894 1.00 53.43 H new ATOM 0 HB2 HIS A 1 -15.137 -17.455 -10.222 1.00 52.50 H new ATOM 0 HB3 HIS A 1 -16.080 -17.285 -8.754 1.00 52.50 H new ATOM 0 HD2 HIS A 1 -14.107 -15.035 -11.267 1.00 54.03 H new ATOM 0 HE1 HIS A 1 -15.988 -12.519 -8.428 1.00 24.24 H new ATOM 0 HE2 HIS A 1 -14.717 -12.587 -10.621 1.00 61.32 H new ATOM 19 N MET A 2 -12.731 -17.060 -6.349 1.00 3.22 N ATOM 20 CA MET A 2 -12.491 -16.551 -4.979 1.00 13.12 C ATOM 21 C MET A 2 -12.046 -15.065 -5.021 1.00 22.25 C ATOM 22 O MET A 2 -11.242 -14.689 -5.883 1.00 22.52 O ATOM 23 CB MET A 2 -11.418 -17.416 -4.252 1.00 23.20 C ATOM 24 CG MET A 2 -11.870 -18.847 -3.910 1.00 14.41 C ATOM 25 SD MET A 2 -12.313 -19.819 -5.372 1.00 21.31 S ATOM 26 CE MET A 2 -12.704 -21.410 -4.634 1.00 0.11 C ATOM 0 H MET A 2 -11.897 -17.447 -6.790 1.00 3.22 H new ATOM 0 HA MET A 2 -13.425 -16.619 -4.421 1.00 13.12 H new ATOM 0 HB2 MET A 2 -10.529 -17.471 -4.880 1.00 23.20 H new ATOM 0 HB3 MET A 2 -11.127 -16.911 -3.331 1.00 23.20 H new ATOM 0 HG2 MET A 2 -11.070 -19.355 -3.371 1.00 14.41 H new ATOM 0 HG3 MET A 2 -12.727 -18.800 -3.238 1.00 14.41 H new ATOM 0 HE1 MET A 2 -12.995 -22.112 -5.416 1.00 0.11 H new ATOM 0 HE2 MET A 2 -11.828 -21.793 -4.110 1.00 0.11 H new ATOM 0 HE3 MET A 2 -13.526 -21.292 -3.929 1.00 0.11 H new ATOM 36 N PRO A 3 -12.548 -14.201 -4.078 1.00 3.51 N ATOM 37 CA PRO A 3 -12.218 -12.748 -4.054 1.00 72.15 C ATOM 38 C PRO A 3 -10.769 -12.460 -3.554 1.00 11.23 C ATOM 39 O PRO A 3 -9.903 -13.346 -3.582 1.00 64.03 O ATOM 40 CB PRO A 3 -13.306 -12.189 -3.102 1.00 23.01 C ATOM 41 CG PRO A 3 -13.568 -13.302 -2.138 1.00 74.32 C ATOM 42 CD PRO A 3 -13.465 -14.571 -2.954 1.00 53.23 C ATOM 0 HA PRO A 3 -12.224 -12.286 -5.041 1.00 72.15 H new ATOM 0 HB2 PRO A 3 -12.961 -11.292 -2.588 1.00 23.01 H new ATOM 0 HB3 PRO A 3 -14.209 -11.916 -3.648 1.00 23.01 H new ATOM 0 HG2 PRO A 3 -12.842 -13.297 -1.325 1.00 74.32 H new ATOM 0 HG3 PRO A 3 -14.554 -13.205 -1.685 1.00 74.32 H new ATOM 0 HD2 PRO A 3 -13.062 -15.394 -2.364 1.00 53.23 H new ATOM 0 HD3 PRO A 3 -14.440 -14.890 -3.322 1.00 53.23 H new ATOM 50 N VAL A 4 -10.499 -11.219 -3.109 1.00 32.02 N ATOM 51 CA VAL A 4 -9.144 -10.801 -2.674 1.00 41.14 C ATOM 52 C VAL A 4 -9.162 -10.182 -1.250 1.00 74.55 C ATOM 53 O VAL A 4 -9.486 -8.998 -1.050 1.00 42.51 O ATOM 54 CB VAL A 4 -8.473 -9.836 -3.726 1.00 73.34 C ATOM 55 CG1 VAL A 4 -9.398 -8.664 -4.131 1.00 55.14 C ATOM 56 CG2 VAL A 4 -7.100 -9.335 -3.213 1.00 24.11 C ATOM 0 H VAL A 4 -11.201 -10.482 -3.039 1.00 32.02 H new ATOM 0 HA VAL A 4 -8.528 -11.699 -2.621 1.00 41.14 H new ATOM 0 HB VAL A 4 -8.304 -10.415 -4.634 1.00 73.34 H new ATOM 0 HG11 VAL A 4 -8.887 -8.031 -4.857 1.00 55.14 H new ATOM 0 HG12 VAL A 4 -10.312 -9.059 -4.574 1.00 55.14 H new ATOM 0 HG13 VAL A 4 -9.647 -8.075 -3.248 1.00 55.14 H new ATOM 0 HG21 VAL A 4 -6.655 -8.671 -3.954 1.00 24.11 H new ATOM 0 HG22 VAL A 4 -7.237 -8.794 -2.277 1.00 24.11 H new ATOM 0 HG23 VAL A 4 -6.441 -10.187 -3.047 1.00 24.11 H new ATOM 66 N HIS A 5 -8.820 -11.015 -0.253 1.00 34.24 N ATOM 67 CA HIS A 5 -8.730 -10.589 1.153 1.00 71.40 C ATOM 68 C HIS A 5 -7.348 -9.959 1.428 1.00 33.14 C ATOM 69 O HIS A 5 -6.312 -10.587 1.169 1.00 13.04 O ATOM 70 CB HIS A 5 -8.965 -11.796 2.105 1.00 32.25 C ATOM 71 CG HIS A 5 -9.294 -11.379 3.517 1.00 23.42 C ATOM 72 ND1 HIS A 5 -8.342 -10.998 4.444 1.00 43.33 N ATOM 73 CD2 HIS A 5 -10.490 -11.208 4.129 1.00 43.35 C ATOM 74 CE1 HIS A 5 -8.941 -10.610 5.549 1.00 3.24 C ATOM 75 NE2 HIS A 5 -10.241 -10.724 5.387 1.00 72.42 N ATOM 0 H HIS A 5 -8.599 -12.000 -0.399 1.00 34.24 H new ATOM 0 HA HIS A 5 -9.504 -9.844 1.340 1.00 71.40 H new ATOM 0 HB2 HIS A 5 -9.779 -12.407 1.714 1.00 32.25 H new ATOM 0 HB3 HIS A 5 -8.073 -12.422 2.116 1.00 32.25 H new ATOM 0 HD2 HIS A 5 -11.461 -11.415 3.704 1.00 43.35 H new ATOM 0 HE1 HIS A 5 -8.447 -10.256 6.442 1.00 3.24 H new ATOM 0 HE2 HIS A 5 -10.948 -10.490 6.084 1.00 72.42 H new ATOM 84 N ILE A 6 -7.338 -8.718 1.947 1.00 34.04 N ATOM 85 CA ILE A 6 -6.092 -8.045 2.367 1.00 50.53 C ATOM 86 C ILE A 6 -5.577 -8.673 3.682 1.00 41.04 C ATOM 87 O ILE A 6 -6.099 -8.400 4.769 1.00 64.13 O ATOM 88 CB ILE A 6 -6.280 -6.487 2.520 1.00 72.34 C ATOM 89 CG1 ILE A 6 -6.750 -5.876 1.164 1.00 4.31 C ATOM 90 CG2 ILE A 6 -4.978 -5.796 3.017 1.00 13.35 C ATOM 91 CD1 ILE A 6 -6.932 -4.370 1.164 1.00 31.32 C ATOM 0 H ILE A 6 -8.180 -8.159 2.086 1.00 34.04 H new ATOM 0 HA ILE A 6 -5.349 -8.194 1.584 1.00 50.53 H new ATOM 0 HB ILE A 6 -7.045 -6.309 3.276 1.00 72.34 H new ATOM 0 HG12 ILE A 6 -6.024 -6.138 0.394 1.00 4.31 H new ATOM 0 HG13 ILE A 6 -7.695 -6.340 0.882 1.00 4.31 H new ATOM 0 HG21 ILE A 6 -5.148 -4.723 3.110 1.00 13.35 H new ATOM 0 HG22 ILE A 6 -4.697 -6.204 3.988 1.00 13.35 H new ATOM 0 HG23 ILE A 6 -4.175 -5.976 2.302 1.00 13.35 H new ATOM 0 HD11 ILE A 6 -7.260 -4.043 0.177 1.00 31.32 H new ATOM 0 HD12 ILE A 6 -7.682 -4.094 1.905 1.00 31.32 H new ATOM 0 HD13 ILE A 6 -5.985 -3.889 1.410 1.00 31.32 H new ATOM 103 N VAL A 7 -4.599 -9.576 3.544 1.00 11.21 N ATOM 104 CA VAL A 7 -3.952 -10.258 4.682 1.00 73.10 C ATOM 105 C VAL A 7 -2.825 -9.390 5.294 1.00 71.43 C ATOM 106 O VAL A 7 -2.480 -9.535 6.467 1.00 33.52 O ATOM 107 CB VAL A 7 -3.400 -11.671 4.251 1.00 25.33 C ATOM 108 CG1 VAL A 7 -4.560 -12.601 3.807 1.00 22.24 C ATOM 109 CG2 VAL A 7 -2.333 -11.558 3.134 1.00 22.44 C ATOM 0 H VAL A 7 -4.229 -9.859 2.637 1.00 11.21 H new ATOM 0 HA VAL A 7 -4.710 -10.408 5.451 1.00 73.10 H new ATOM 0 HB VAL A 7 -2.915 -12.110 5.123 1.00 25.33 H new ATOM 0 HG11 VAL A 7 -4.157 -13.570 3.514 1.00 22.24 H new ATOM 0 HG12 VAL A 7 -5.257 -12.733 4.634 1.00 22.24 H new ATOM 0 HG13 VAL A 7 -5.081 -12.154 2.961 1.00 22.24 H new ATOM 0 HG21 VAL A 7 -1.979 -12.554 2.867 1.00 22.44 H new ATOM 0 HG22 VAL A 7 -2.773 -11.082 2.258 1.00 22.44 H new ATOM 0 HG23 VAL A 7 -1.495 -10.959 3.490 1.00 22.44 H new ATOM 119 N ASP A 8 -2.270 -8.491 4.477 1.00 14.43 N ATOM 120 CA ASP A 8 -1.236 -7.532 4.876 1.00 3.04 C ATOM 121 C ASP A 8 -1.502 -6.176 4.155 1.00 55.03 C ATOM 122 O ASP A 8 -1.652 -6.157 2.938 1.00 0.21 O ATOM 123 CB ASP A 8 0.165 -8.090 4.534 1.00 15.22 C ATOM 124 CG ASP A 8 1.303 -7.090 4.801 1.00 70.34 C ATOM 125 OD1 ASP A 8 1.752 -6.982 5.963 1.00 51.50 O ATOM 126 OD2 ASP A 8 1.731 -6.385 3.859 1.00 22.31 O ATOM 0 H ASP A 8 -2.534 -8.408 3.495 1.00 14.43 H new ATOM 0 HA ASP A 8 -1.270 -7.368 5.953 1.00 3.04 H new ATOM 0 HB2 ASP A 8 0.341 -8.993 5.118 1.00 15.22 H new ATOM 0 HB3 ASP A 8 0.186 -8.381 3.484 1.00 15.22 H new ATOM 131 N PRO A 9 -1.619 -5.028 4.891 1.00 20.11 N ATOM 132 CA PRO A 9 -1.617 -4.989 6.374 1.00 12.42 C ATOM 133 C PRO A 9 -2.929 -5.545 6.999 1.00 71.35 C ATOM 134 O PRO A 9 -4.019 -5.402 6.430 1.00 31.30 O ATOM 135 CB PRO A 9 -1.431 -3.492 6.685 1.00 3.22 C ATOM 136 CG PRO A 9 -2.043 -2.790 5.519 1.00 31.25 C ATOM 137 CD PRO A 9 -1.752 -3.663 4.311 1.00 13.03 C ATOM 0 HA PRO A 9 -0.838 -5.622 6.800 1.00 12.42 H new ATOM 0 HB2 PRO A 9 -1.923 -3.216 7.618 1.00 3.22 H new ATOM 0 HB3 PRO A 9 -0.377 -3.237 6.793 1.00 3.22 H new ATOM 0 HG2 PRO A 9 -3.116 -2.662 5.659 1.00 31.25 H new ATOM 0 HG3 PRO A 9 -1.617 -1.795 5.394 1.00 31.25 H new ATOM 0 HD2 PRO A 9 -2.557 -3.615 3.578 1.00 13.03 H new ATOM 0 HD3 PRO A 9 -0.839 -3.353 3.802 1.00 13.03 H new ATOM 145 N ARG A 10 -2.773 -6.204 8.158 1.00 54.23 N ATOM 146 CA ARG A 10 -3.891 -6.763 8.953 1.00 1.41 C ATOM 147 C ARG A 10 -4.921 -5.687 9.376 1.00 24.34 C ATOM 148 O ARG A 10 -6.114 -5.981 9.522 1.00 35.04 O ATOM 149 CB ARG A 10 -3.319 -7.455 10.221 1.00 72.23 C ATOM 150 CG ARG A 10 -2.547 -8.767 9.965 1.00 4.53 C ATOM 151 CD ARG A 10 -3.461 -9.904 9.480 1.00 44.00 C ATOM 152 NE ARG A 10 -4.559 -10.174 10.426 1.00 43.30 N ATOM 153 CZ ARG A 10 -5.287 -11.265 10.453 1.00 14.31 C ATOM 154 NH1 ARG A 10 -5.046 -12.261 9.663 1.00 5.54 N ATOM 155 NH2 ARG A 10 -6.251 -11.360 11.296 1.00 70.13 N ATOM 0 H ARG A 10 -1.859 -6.368 8.579 1.00 54.23 H new ATOM 0 HA ARG A 10 -4.415 -7.480 8.321 1.00 1.41 H new ATOM 0 HB2 ARG A 10 -2.655 -6.755 10.728 1.00 72.23 H new ATOM 0 HB3 ARG A 10 -4.143 -7.665 10.903 1.00 72.23 H new ATOM 0 HG2 ARG A 10 -1.770 -8.588 9.222 1.00 4.53 H new ATOM 0 HG3 ARG A 10 -2.046 -9.075 10.883 1.00 4.53 H new ATOM 0 HD2 ARG A 10 -3.877 -9.644 8.507 1.00 44.00 H new ATOM 0 HD3 ARG A 10 -2.870 -10.810 9.342 1.00 44.00 H new ATOM 0 HE ARG A 10 -4.770 -9.453 11.116 1.00 43.30 H new ATOM 0 HH11 ARG A 10 -4.274 -12.210 8.998 1.00 5.54 H new ATOM 0 HH12 ARG A 10 -5.628 -13.098 9.705 1.00 5.54 H new ATOM 0 HH21 ARG A 10 -6.445 -10.591 11.937 1.00 70.13 H new ATOM 0 HH22 ARG A 10 -6.822 -12.204 11.324 1.00 70.13 H new ATOM 169 N GLU A 11 -4.432 -4.450 9.554 1.00 41.01 N ATOM 170 CA GLU A 11 -5.207 -3.343 10.148 1.00 42.42 C ATOM 171 C GLU A 11 -4.562 -1.966 9.835 1.00 12.15 C ATOM 172 O GLU A 11 -3.692 -1.853 8.960 1.00 54.42 O ATOM 173 CB GLU A 11 -5.308 -3.582 11.687 1.00 45.10 C ATOM 174 CG GLU A 11 -3.942 -3.710 12.410 1.00 21.14 C ATOM 175 CD GLU A 11 -4.076 -4.226 13.851 1.00 35.24 C ATOM 176 OE1 GLU A 11 -4.190 -5.459 14.037 1.00 50.21 O ATOM 177 OE2 GLU A 11 -4.082 -3.410 14.799 1.00 44.05 O ATOM 0 H GLU A 11 -3.483 -4.185 9.289 1.00 41.01 H new ATOM 0 HA GLU A 11 -6.206 -3.325 9.712 1.00 42.42 H new ATOM 0 HB2 GLU A 11 -5.865 -2.759 12.134 1.00 45.10 H new ATOM 0 HB3 GLU A 11 -5.885 -4.490 11.864 1.00 45.10 H new ATOM 0 HG2 GLU A 11 -3.299 -4.386 11.845 1.00 21.14 H new ATOM 0 HG3 GLU A 11 -3.450 -2.737 12.422 1.00 21.14 H new ATOM 184 N HIS A 12 -5.039 -0.927 10.547 1.00 53.02 N ATOM 185 CA HIS A 12 -4.494 0.450 10.505 1.00 53.11 C ATOM 186 C HIS A 12 -2.955 0.497 10.731 1.00 20.45 C ATOM 187 O HIS A 12 -2.434 -0.096 11.686 1.00 73.35 O ATOM 188 CB HIS A 12 -5.232 1.316 11.569 1.00 74.02 C ATOM 189 CG HIS A 12 -5.206 0.741 12.973 1.00 72.11 C ATOM 190 ND1 HIS A 12 -6.030 -0.289 13.381 1.00 22.30 N ATOM 191 CD2 HIS A 12 -4.446 1.049 14.057 1.00 64.22 C ATOM 192 CE1 HIS A 12 -5.777 -0.587 14.636 1.00 51.54 C ATOM 193 NE2 HIS A 12 -4.822 0.205 15.071 1.00 21.10 N ATOM 0 H HIS A 12 -5.831 -1.020 11.182 1.00 53.02 H new ATOM 0 HA HIS A 12 -4.666 0.850 9.506 1.00 53.11 H new ATOM 0 HB2 HIS A 12 -4.782 2.308 11.588 1.00 74.02 H new ATOM 0 HB3 HIS A 12 -6.270 1.442 11.260 1.00 74.02 H new ATOM 0 HD2 HIS A 12 -3.687 1.816 14.110 1.00 64.22 H new ATOM 0 HE1 HIS A 12 -6.271 -1.354 15.213 1.00 51.54 H new ATOM 0 HE2 HIS A 12 -4.425 0.194 16.010 1.00 21.10 H new ATOM 202 N VAL A 13 -2.236 1.185 9.821 1.00 23.12 N ATOM 203 CA VAL A 13 -0.771 1.393 9.918 1.00 54.41 C ATOM 204 C VAL A 13 -0.454 2.904 9.985 1.00 21.43 C ATOM 205 O VAL A 13 -0.643 3.634 9.000 1.00 12.13 O ATOM 206 CB VAL A 13 -0.013 0.737 8.698 1.00 45.41 C ATOM 207 CG1 VAL A 13 1.516 0.988 8.757 1.00 50.11 C ATOM 208 CG2 VAL A 13 -0.318 -0.776 8.617 1.00 13.34 C ATOM 0 H VAL A 13 -2.653 1.614 8.995 1.00 23.12 H new ATOM 0 HA VAL A 13 -0.423 0.908 10.830 1.00 54.41 H new ATOM 0 HB VAL A 13 -0.382 1.217 7.792 1.00 45.41 H new ATOM 0 HG11 VAL A 13 1.995 0.518 7.898 1.00 50.11 H new ATOM 0 HG12 VAL A 13 1.710 2.061 8.739 1.00 50.11 H new ATOM 0 HG13 VAL A 13 1.920 0.562 9.675 1.00 50.11 H new ATOM 0 HG21 VAL A 13 0.214 -1.209 7.770 1.00 13.34 H new ATOM 0 HG22 VAL A 13 0.007 -1.262 9.537 1.00 13.34 H new ATOM 0 HG23 VAL A 13 -1.390 -0.925 8.487 1.00 13.34 H new ATOM 218 N PHE A 14 0.000 3.371 11.163 1.00 61.15 N ATOM 219 CA PHE A 14 0.443 4.765 11.351 1.00 41.41 C ATOM 220 C PHE A 14 1.923 4.913 10.912 1.00 41.25 C ATOM 221 O PHE A 14 2.829 4.352 11.541 1.00 50.33 O ATOM 222 CB PHE A 14 0.251 5.208 12.830 1.00 44.04 C ATOM 223 CG PHE A 14 0.573 6.686 13.083 1.00 5.14 C ATOM 224 CD1 PHE A 14 -0.342 7.681 12.735 1.00 23.43 C ATOM 225 CD2 PHE A 14 1.788 7.080 13.648 1.00 74.21 C ATOM 226 CE1 PHE A 14 -0.058 9.016 12.946 1.00 62.20 C ATOM 227 CE2 PHE A 14 2.069 8.418 13.859 1.00 40.12 C ATOM 228 CZ PHE A 14 1.148 9.385 13.506 1.00 44.22 C ATOM 0 H PHE A 14 0.070 2.798 12.004 1.00 61.15 H new ATOM 0 HA PHE A 14 -0.169 5.417 10.728 1.00 41.41 H new ATOM 0 HB2 PHE A 14 -0.780 5.015 13.126 1.00 44.04 H new ATOM 0 HB3 PHE A 14 0.886 4.594 13.468 1.00 44.04 H new ATOM 0 HD1 PHE A 14 -1.287 7.402 12.294 1.00 23.43 H new ATOM 0 HD2 PHE A 14 2.516 6.332 13.923 1.00 74.21 H new ATOM 0 HE1 PHE A 14 -0.780 9.771 12.673 1.00 62.20 H new ATOM 0 HE2 PHE A 14 3.011 8.707 14.301 1.00 40.12 H new ATOM 0 HZ PHE A 14 1.372 10.429 13.668 1.00 44.22 H new ATOM 238 N VAL A 15 2.144 5.666 9.822 1.00 75.21 N ATOM 239 CA VAL A 15 3.482 5.899 9.237 1.00 50.01 C ATOM 240 C VAL A 15 3.945 7.349 9.504 1.00 51.10 C ATOM 241 O VAL A 15 3.347 8.299 8.994 1.00 73.44 O ATOM 242 CB VAL A 15 3.467 5.627 7.680 1.00 40.11 C ATOM 243 CG1 VAL A 15 4.860 5.858 7.034 1.00 74.35 C ATOM 244 CG2 VAL A 15 2.931 4.207 7.370 1.00 62.53 C ATOM 0 H VAL A 15 1.394 6.136 9.315 1.00 75.21 H new ATOM 0 HA VAL A 15 4.180 5.208 9.710 1.00 50.01 H new ATOM 0 HB VAL A 15 2.786 6.351 7.232 1.00 40.11 H new ATOM 0 HG11 VAL A 15 4.802 5.659 5.964 1.00 74.35 H new ATOM 0 HG12 VAL A 15 5.169 6.891 7.195 1.00 74.35 H new ATOM 0 HG13 VAL A 15 5.588 5.186 7.489 1.00 74.35 H new ATOM 0 HG21 VAL A 15 2.931 4.045 6.292 1.00 62.53 H new ATOM 0 HG22 VAL A 15 3.570 3.465 7.848 1.00 62.53 H new ATOM 0 HG23 VAL A 15 1.914 4.111 7.751 1.00 62.53 H new ATOM 254 N HIS A 16 4.999 7.524 10.320 1.00 20.11 N ATOM 255 CA HIS A 16 5.656 8.835 10.470 1.00 53.14 C ATOM 256 C HIS A 16 6.670 9.048 9.321 1.00 31.45 C ATOM 257 O HIS A 16 7.691 8.353 9.238 1.00 13.42 O ATOM 258 CB HIS A 16 6.357 8.982 11.845 1.00 73.12 C ATOM 259 CG HIS A 16 7.145 10.271 11.986 1.00 11.43 C ATOM 260 ND1 HIS A 16 8.522 10.311 12.043 1.00 51.21 N ATOM 261 CD2 HIS A 16 6.741 11.567 12.021 1.00 13.44 C ATOM 262 CE1 HIS A 16 8.923 11.562 12.101 1.00 40.35 C ATOM 263 NE2 HIS A 16 7.867 12.342 12.090 1.00 61.32 N ATOM 0 H HIS A 16 5.412 6.780 10.882 1.00 20.11 H new ATOM 0 HA HIS A 16 4.883 9.602 10.420 1.00 53.14 H new ATOM 0 HB2 HIS A 16 5.606 8.936 12.634 1.00 73.12 H new ATOM 0 HB3 HIS A 16 7.028 8.136 11.994 1.00 73.12 H new ATOM 0 HD2 HIS A 16 5.721 11.921 11.999 1.00 13.44 H new ATOM 0 HE1 HIS A 16 9.950 11.893 12.150 1.00 40.35 H new ATOM 0 HE2 HIS A 16 7.883 13.361 12.127 1.00 61.32 H new ATOM 272 N ALA A 17 6.359 9.999 8.434 1.00 53.34 N ATOM 273 CA ALA A 17 7.253 10.428 7.346 1.00 32.50 C ATOM 274 C ALA A 17 7.999 11.731 7.725 1.00 65.42 C ATOM 275 O ALA A 17 7.568 12.481 8.608 1.00 24.13 O ATOM 276 CB ALA A 17 6.444 10.619 6.056 1.00 55.32 C ATOM 0 H ALA A 17 5.471 10.500 8.449 1.00 53.34 H new ATOM 0 HA ALA A 17 8.002 9.654 7.182 1.00 32.50 H new ATOM 0 HB1 ALA A 17 7.109 10.937 5.253 1.00 55.32 H new ATOM 0 HB2 ALA A 17 5.968 9.677 5.782 1.00 55.32 H new ATOM 0 HB3 ALA A 17 5.679 11.379 6.215 1.00 55.32 H new ATOM 282 N ILE A 18 9.147 11.962 7.079 1.00 63.34 N ATOM 283 CA ILE A 18 9.903 13.239 7.162 1.00 1.31 C ATOM 284 C ILE A 18 9.846 13.940 5.774 1.00 35.22 C ATOM 285 O ILE A 18 9.561 13.286 4.758 1.00 50.31 O ATOM 286 CB ILE A 18 11.404 12.968 7.608 1.00 3.23 C ATOM 287 CG1 ILE A 18 11.452 12.174 8.961 1.00 32.22 C ATOM 288 CG2 ILE A 18 12.231 14.276 7.716 1.00 52.14 C ATOM 289 CD1 ILE A 18 12.849 11.774 9.421 1.00 74.34 C ATOM 0 H ILE A 18 9.590 11.269 6.476 1.00 63.34 H new ATOM 0 HA ILE A 18 9.454 13.890 7.912 1.00 1.31 H new ATOM 0 HB ILE A 18 11.861 12.359 6.828 1.00 3.23 H new ATOM 0 HG12 ILE A 18 10.989 12.782 9.739 1.00 32.22 H new ATOM 0 HG13 ILE A 18 10.847 11.273 8.858 1.00 32.22 H new ATOM 0 HG21 ILE A 18 13.249 14.038 8.024 1.00 52.14 H new ATOM 0 HG22 ILE A 18 12.252 14.774 6.747 1.00 52.14 H new ATOM 0 HG23 ILE A 18 11.774 14.936 8.453 1.00 52.14 H new ATOM 0 HD11 ILE A 18 12.780 11.231 10.363 1.00 74.34 H new ATOM 0 HD12 ILE A 18 13.312 11.136 8.668 1.00 74.34 H new ATOM 0 HD13 ILE A 18 13.456 12.668 9.562 1.00 74.34 H new ATOM 301 N THR A 19 10.068 15.269 5.742 1.00 12.30 N ATOM 302 CA THR A 19 10.154 16.044 4.484 1.00 61.12 C ATOM 303 C THR A 19 11.283 15.501 3.560 1.00 52.03 C ATOM 304 O THR A 19 12.423 15.341 3.996 1.00 24.25 O ATOM 305 CB THR A 19 10.397 17.565 4.768 1.00 22.24 C ATOM 306 OG1 THR A 19 11.601 17.741 5.532 1.00 0.23 O ATOM 307 CG2 THR A 19 9.221 18.208 5.529 1.00 63.24 C ATOM 0 H THR A 19 10.192 15.835 6.582 1.00 12.30 H new ATOM 0 HA THR A 19 9.197 15.929 3.975 1.00 61.12 H new ATOM 0 HB THR A 19 10.489 18.059 3.801 1.00 22.24 H new ATOM 0 HG1 THR A 19 12.220 17.005 5.342 1.00 0.23 H new ATOM 0 HG21 THR A 19 9.434 19.263 5.704 1.00 63.24 H new ATOM 0 HG22 THR A 19 8.310 18.115 4.937 1.00 63.24 H new ATOM 0 HG23 THR A 19 9.086 17.702 6.485 1.00 63.24 H new ATOM 315 N SER A 20 10.908 15.182 2.297 1.00 32.34 N ATOM 316 CA SER A 20 11.815 14.631 1.246 1.00 31.05 C ATOM 317 C SER A 20 12.321 13.184 1.555 1.00 43.33 C ATOM 318 O SER A 20 13.222 12.679 0.883 1.00 1.41 O ATOM 319 CB SER A 20 12.998 15.611 0.965 1.00 73.23 C ATOM 320 OG SER A 20 13.775 15.210 -0.162 1.00 25.42 O ATOM 0 H SER A 20 9.950 15.301 1.969 1.00 32.34 H new ATOM 0 HA SER A 20 11.219 14.542 0.338 1.00 31.05 H new ATOM 0 HB2 SER A 20 12.604 16.613 0.795 1.00 73.23 H new ATOM 0 HB3 SER A 20 13.639 15.666 1.845 1.00 73.23 H new ATOM 0 HG SER A 20 13.859 14.234 -0.171 1.00 25.42 H new ATOM 326 N GLU A 21 11.685 12.497 2.527 1.00 35.32 N ATOM 327 CA GLU A 21 12.092 11.130 2.966 1.00 24.20 C ATOM 328 C GLU A 21 11.316 10.047 2.157 1.00 64.22 C ATOM 329 O GLU A 21 10.194 10.281 1.722 1.00 52.41 O ATOM 330 CB GLU A 21 11.846 10.994 4.508 1.00 35.12 C ATOM 331 CG GLU A 21 12.793 10.045 5.289 1.00 45.21 C ATOM 332 CD GLU A 21 12.565 8.549 5.013 1.00 50.32 C ATOM 333 OE1 GLU A 21 11.537 8.010 5.469 1.00 62.52 O ATOM 334 OE2 GLU A 21 13.405 7.914 4.332 1.00 12.23 O ATOM 0 H GLU A 21 10.879 12.865 3.032 1.00 35.32 H new ATOM 0 HA GLU A 21 13.153 10.976 2.771 1.00 24.20 H new ATOM 0 HB2 GLU A 21 11.919 11.987 4.952 1.00 35.12 H new ATOM 0 HB3 GLU A 21 10.822 10.652 4.659 1.00 35.12 H new ATOM 0 HG2 GLU A 21 13.824 10.295 5.039 1.00 45.21 H new ATOM 0 HG3 GLU A 21 12.670 10.228 6.357 1.00 45.21 H new ATOM 341 N CYS A 22 11.929 8.865 1.969 1.00 3.41 N ATOM 342 CA CYS A 22 11.353 7.755 1.169 1.00 60.22 C ATOM 343 C CYS A 22 10.342 6.903 1.987 1.00 24.34 C ATOM 344 O CYS A 22 10.716 6.255 2.973 1.00 52.15 O ATOM 345 CB CYS A 22 12.497 6.854 0.649 1.00 61.44 C ATOM 346 SG CYS A 22 13.785 7.753 -0.252 1.00 61.22 S ATOM 0 H CYS A 22 12.842 8.646 2.367 1.00 3.41 H new ATOM 0 HA CYS A 22 10.806 8.194 0.334 1.00 60.22 H new ATOM 0 HB2 CYS A 22 12.952 6.337 1.494 1.00 61.44 H new ATOM 0 HB3 CYS A 22 12.076 6.089 -0.004 1.00 61.44 H new ATOM 0 HG CYS A 22 13.234 8.630 -1.037 1.00 61.22 H new ATOM 352 N VAL A 23 9.060 6.912 1.569 1.00 11.34 N ATOM 353 CA VAL A 23 7.984 6.081 2.176 1.00 60.22 C ATOM 354 C VAL A 23 7.496 5.019 1.165 1.00 40.23 C ATOM 355 O VAL A 23 7.205 5.344 0.025 1.00 4.34 O ATOM 356 CB VAL A 23 6.765 6.974 2.635 1.00 71.54 C ATOM 357 CG1 VAL A 23 5.594 6.123 3.200 1.00 42.12 C ATOM 358 CG2 VAL A 23 7.222 8.041 3.658 1.00 31.22 C ATOM 0 H VAL A 23 8.734 7.496 0.799 1.00 11.34 H new ATOM 0 HA VAL A 23 8.399 5.585 3.053 1.00 60.22 H new ATOM 0 HB VAL A 23 6.387 7.485 1.750 1.00 71.54 H new ATOM 0 HG11 VAL A 23 4.779 6.781 3.502 1.00 42.12 H new ATOM 0 HG12 VAL A 23 5.240 5.436 2.432 1.00 42.12 H new ATOM 0 HG13 VAL A 23 5.941 5.554 4.063 1.00 42.12 H new ATOM 0 HG21 VAL A 23 6.367 8.645 3.961 1.00 31.22 H new ATOM 0 HG22 VAL A 23 7.646 7.548 4.533 1.00 31.22 H new ATOM 0 HG23 VAL A 23 7.976 8.683 3.202 1.00 31.22 H new ATOM 368 N MET A 24 7.415 3.745 1.582 1.00 72.40 N ATOM 369 CA MET A 24 6.875 2.655 0.742 1.00 70.23 C ATOM 370 C MET A 24 5.759 1.907 1.499 1.00 65.00 C ATOM 371 O MET A 24 6.034 1.129 2.419 1.00 32.13 O ATOM 372 CB MET A 24 7.999 1.671 0.318 1.00 43.11 C ATOM 373 CG MET A 24 9.079 2.274 -0.593 1.00 44.04 C ATOM 374 SD MET A 24 10.305 1.054 -1.104 1.00 34.44 S ATOM 375 CE MET A 24 9.292 -0.138 -1.985 1.00 13.05 C ATOM 0 H MET A 24 7.720 3.439 2.506 1.00 72.40 H new ATOM 0 HA MET A 24 6.454 3.094 -0.163 1.00 70.23 H new ATOM 0 HB2 MET A 24 8.478 1.282 1.216 1.00 43.11 H new ATOM 0 HB3 MET A 24 7.545 0.823 -0.194 1.00 43.11 H new ATOM 0 HG2 MET A 24 8.607 2.703 -1.477 1.00 44.04 H new ATOM 0 HG3 MET A 24 9.578 3.090 -0.070 1.00 44.04 H new ATOM 0 HE1 MET A 24 9.245 -1.066 -1.416 1.00 13.05 H new ATOM 0 HE2 MET A 24 8.286 0.262 -2.111 1.00 13.05 H new ATOM 0 HE3 MET A 24 9.729 -0.334 -2.964 1.00 13.05 H new ATOM 385 N LEU A 25 4.499 2.173 1.126 1.00 3.21 N ATOM 386 CA LEU A 25 3.332 1.480 1.694 1.00 72.32 C ATOM 387 C LEU A 25 3.140 0.117 1.005 1.00 32.45 C ATOM 388 O LEU A 25 2.686 0.053 -0.136 1.00 2.14 O ATOM 389 CB LEU A 25 2.065 2.346 1.522 1.00 31.24 C ATOM 390 CG LEU A 25 2.122 3.760 2.161 1.00 70.03 C ATOM 391 CD1 LEU A 25 0.817 4.517 1.898 1.00 42.10 C ATOM 392 CD2 LEU A 25 2.440 3.698 3.674 1.00 31.34 C ATOM 0 H LEU A 25 4.260 2.873 0.424 1.00 3.21 H new ATOM 0 HA LEU A 25 3.503 1.315 2.758 1.00 72.32 H new ATOM 0 HB2 LEU A 25 1.866 2.457 0.456 1.00 31.24 H new ATOM 0 HB3 LEU A 25 1.219 1.808 1.950 1.00 31.24 H new ATOM 0 HG LEU A 25 2.939 4.306 1.689 1.00 70.03 H new ATOM 0 HD11 LEU A 25 0.872 5.506 2.352 1.00 42.10 H new ATOM 0 HD12 LEU A 25 0.666 4.619 0.823 1.00 42.10 H new ATOM 0 HD13 LEU A 25 -0.017 3.965 2.331 1.00 42.10 H new ATOM 0 HD21 LEU A 25 2.470 4.709 4.081 1.00 31.34 H new ATOM 0 HD22 LEU A 25 1.667 3.124 4.185 1.00 31.34 H new ATOM 0 HD23 LEU A 25 3.407 3.218 3.823 1.00 31.34 H new ATOM 404 N ALA A 26 3.524 -0.960 1.697 1.00 23.43 N ATOM 405 CA ALA A 26 3.395 -2.331 1.177 1.00 25.25 C ATOM 406 C ALA A 26 2.020 -2.930 1.552 1.00 52.43 C ATOM 407 O ALA A 26 1.492 -2.674 2.641 1.00 73.32 O ATOM 408 CB ALA A 26 4.549 -3.197 1.706 1.00 60.41 C ATOM 0 H ALA A 26 3.932 -0.910 2.630 1.00 23.43 H new ATOM 0 HA ALA A 26 3.454 -2.308 0.089 1.00 25.25 H new ATOM 0 HB1 ALA A 26 4.450 -4.211 1.319 1.00 60.41 H new ATOM 0 HB2 ALA A 26 5.500 -2.775 1.380 1.00 60.41 H new ATOM 0 HB3 ALA A 26 4.517 -3.220 2.795 1.00 60.41 H new ATOM 414 N CYS A 27 1.439 -3.693 0.622 1.00 41.50 N ATOM 415 CA CYS A 27 0.184 -4.438 0.837 1.00 30.14 C ATOM 416 C CYS A 27 0.286 -5.818 0.164 1.00 60.23 C ATOM 417 O CYS A 27 0.382 -5.919 -1.059 1.00 72.04 O ATOM 418 CB CYS A 27 -1.023 -3.653 0.269 1.00 40.22 C ATOM 419 SG CYS A 27 -2.622 -4.486 0.450 1.00 34.25 S ATOM 0 H CYS A 27 1.827 -3.816 -0.313 1.00 41.50 H new ATOM 0 HA CYS A 27 0.029 -4.568 1.908 1.00 30.14 H new ATOM 0 HB2 CYS A 27 -1.075 -2.684 0.766 1.00 40.22 H new ATOM 0 HB3 CYS A 27 -0.847 -3.459 -0.789 1.00 40.22 H new ATOM 0 HG CYS A 27 -2.517 -5.441 1.326 1.00 34.25 H new ATOM 425 N GLU A 28 0.265 -6.876 0.978 1.00 72.35 N ATOM 426 CA GLU A 28 0.313 -8.270 0.502 1.00 4.12 C ATOM 427 C GLU A 28 -1.106 -8.865 0.654 1.00 1.02 C ATOM 428 O GLU A 28 -1.735 -8.740 1.704 1.00 53.14 O ATOM 429 CB GLU A 28 1.383 -9.067 1.319 1.00 2.33 C ATOM 430 CG GLU A 28 2.057 -10.246 0.593 1.00 50.00 C ATOM 431 CD GLU A 28 1.101 -11.384 0.224 1.00 5.02 C ATOM 432 OE1 GLU A 28 0.630 -12.094 1.133 1.00 32.01 O ATOM 433 OE2 GLU A 28 0.843 -11.588 -0.970 1.00 54.50 O ATOM 0 H GLU A 28 0.214 -6.794 1.993 1.00 72.35 H new ATOM 0 HA GLU A 28 0.609 -8.327 -0.546 1.00 4.12 H new ATOM 0 HB2 GLU A 28 2.160 -8.371 1.636 1.00 2.33 H new ATOM 0 HB3 GLU A 28 0.909 -9.448 2.223 1.00 2.33 H new ATOM 0 HG2 GLU A 28 2.531 -9.875 -0.316 1.00 50.00 H new ATOM 0 HG3 GLU A 28 2.850 -10.643 1.227 1.00 50.00 H new ATOM 440 N VAL A 29 -1.610 -9.500 -0.401 1.00 72.24 N ATOM 441 CA VAL A 29 -3.012 -9.964 -0.474 1.00 12.51 C ATOM 442 C VAL A 29 -3.086 -11.461 -0.846 1.00 61.41 C ATOM 443 O VAL A 29 -2.173 -11.998 -1.459 1.00 64.11 O ATOM 444 CB VAL A 29 -3.829 -9.098 -1.502 1.00 74.54 C ATOM 445 CG1 VAL A 29 -4.039 -7.647 -0.994 1.00 50.14 C ATOM 446 CG2 VAL A 29 -3.151 -9.108 -2.895 1.00 63.41 C ATOM 0 H VAL A 29 -1.065 -9.713 -1.236 1.00 72.24 H new ATOM 0 HA VAL A 29 -3.457 -9.841 0.513 1.00 12.51 H new ATOM 0 HB VAL A 29 -4.815 -9.552 -1.600 1.00 74.54 H new ATOM 0 HG11 VAL A 29 -4.607 -7.082 -1.733 1.00 50.14 H new ATOM 0 HG12 VAL A 29 -4.587 -7.667 -0.052 1.00 50.14 H new ATOM 0 HG13 VAL A 29 -3.070 -7.172 -0.840 1.00 50.14 H new ATOM 0 HG21 VAL A 29 -3.735 -8.502 -3.588 1.00 63.41 H new ATOM 0 HG22 VAL A 29 -2.145 -8.697 -2.813 1.00 63.41 H new ATOM 0 HG23 VAL A 29 -3.096 -10.132 -3.265 1.00 63.41 H new ATOM 456 N ASP A 30 -4.199 -12.110 -0.469 1.00 32.14 N ATOM 457 CA ASP A 30 -4.428 -13.559 -0.691 1.00 13.31 C ATOM 458 C ASP A 30 -4.381 -13.954 -2.200 1.00 52.22 C ATOM 459 O ASP A 30 -3.829 -14.998 -2.559 1.00 72.00 O ATOM 460 CB ASP A 30 -5.791 -13.950 -0.052 1.00 54.45 C ATOM 461 CG ASP A 30 -6.207 -15.409 -0.320 1.00 31.03 C ATOM 462 OD1 ASP A 30 -5.611 -16.333 0.268 1.00 41.53 O ATOM 463 OD2 ASP A 30 -7.143 -15.639 -1.115 1.00 32.41 O ATOM 0 H ASP A 30 -4.975 -11.646 0.003 1.00 32.14 H new ATOM 0 HA ASP A 30 -3.618 -14.112 -0.215 1.00 13.31 H new ATOM 0 HB2 ASP A 30 -5.736 -13.789 1.025 1.00 54.45 H new ATOM 0 HB3 ASP A 30 -6.565 -13.285 -0.435 1.00 54.45 H new ATOM 468 N ARG A 31 -4.937 -13.093 -3.069 1.00 60.02 N ATOM 469 CA ARG A 31 -5.087 -13.387 -4.511 1.00 44.53 C ATOM 470 C ARG A 31 -3.866 -12.867 -5.316 1.00 14.32 C ATOM 471 O ARG A 31 -3.460 -11.716 -5.151 1.00 21.13 O ATOM 472 CB ARG A 31 -6.404 -12.746 -5.034 1.00 24.20 C ATOM 473 CG ARG A 31 -6.741 -13.072 -6.502 1.00 2.24 C ATOM 474 CD ARG A 31 -8.093 -12.497 -6.968 1.00 41.43 C ATOM 475 NE ARG A 31 -8.378 -12.860 -8.368 1.00 20.12 N ATOM 476 CZ ARG A 31 -8.918 -13.994 -8.774 1.00 62.23 C ATOM 477 NH1 ARG A 31 -9.305 -14.908 -7.928 1.00 24.25 N ATOM 478 NH2 ARG A 31 -9.082 -14.210 -10.033 1.00 22.33 N ATOM 0 H ARG A 31 -5.295 -12.177 -2.797 1.00 60.02 H new ATOM 0 HA ARG A 31 -5.134 -14.467 -4.648 1.00 44.53 H new ATOM 0 HB2 ARG A 31 -7.229 -13.078 -4.404 1.00 24.20 H new ATOM 0 HB3 ARG A 31 -6.334 -11.664 -4.923 1.00 24.20 H new ATOM 0 HG2 ARG A 31 -5.950 -12.682 -7.143 1.00 2.24 H new ATOM 0 HG3 ARG A 31 -6.752 -14.154 -6.632 1.00 2.24 H new ATOM 0 HD2 ARG A 31 -8.890 -12.870 -6.324 1.00 41.43 H new ATOM 0 HD3 ARG A 31 -8.083 -11.412 -6.867 1.00 41.43 H new ATOM 0 HE ARG A 31 -8.137 -12.176 -9.085 1.00 20.12 H new ATOM 0 HH11 ARG A 31 -9.193 -14.755 -6.926 1.00 24.25 H new ATOM 0 HH12 ARG A 31 -9.719 -15.776 -8.269 1.00 24.25 H new ATOM 0 HH21 ARG A 31 -8.795 -13.506 -10.713 1.00 22.33 H new ATOM 0 HH22 ARG A 31 -9.499 -15.085 -10.350 1.00 22.33 H new ATOM 492 N GLU A 32 -3.287 -13.728 -6.176 1.00 52.41 N ATOM 493 CA GLU A 32 -2.169 -13.341 -7.074 1.00 45.21 C ATOM 494 C GLU A 32 -2.668 -12.437 -8.229 1.00 22.41 C ATOM 495 O GLU A 32 -2.000 -11.476 -8.618 1.00 13.21 O ATOM 496 CB GLU A 32 -1.442 -14.596 -7.648 1.00 74.15 C ATOM 497 CG GLU A 32 -0.606 -15.418 -6.629 1.00 3.11 C ATOM 498 CD GLU A 32 -1.417 -16.002 -5.455 1.00 53.14 C ATOM 499 OE1 GLU A 32 -2.309 -16.845 -5.704 1.00 2.04 O ATOM 500 OE2 GLU A 32 -1.179 -15.624 -4.287 1.00 74.33 O ATOM 0 H GLU A 32 -3.574 -14.702 -6.271 1.00 52.41 H new ATOM 0 HA GLU A 32 -1.454 -12.775 -6.476 1.00 45.21 H new ATOM 0 HB2 GLU A 32 -2.189 -15.254 -8.091 1.00 74.15 H new ATOM 0 HB3 GLU A 32 -0.783 -14.274 -8.454 1.00 74.15 H new ATOM 0 HG2 GLU A 32 -0.116 -16.236 -7.157 1.00 3.11 H new ATOM 0 HG3 GLU A 32 0.182 -14.781 -6.227 1.00 3.11 H new ATOM 507 N ASP A 33 -3.865 -12.752 -8.758 1.00 43.41 N ATOM 508 CA ASP A 33 -4.521 -11.959 -9.833 1.00 33.21 C ATOM 509 C ASP A 33 -5.366 -10.795 -9.241 1.00 44.23 C ATOM 510 O ASP A 33 -6.381 -10.395 -9.818 1.00 23.25 O ATOM 511 CB ASP A 33 -5.416 -12.899 -10.686 1.00 21.11 C ATOM 512 CG ASP A 33 -4.637 -14.079 -11.281 1.00 74.05 C ATOM 513 OD1 ASP A 33 -3.936 -13.887 -12.295 1.00 33.24 O ATOM 514 OD2 ASP A 33 -4.710 -15.195 -10.722 1.00 22.31 O ATOM 0 H ASP A 33 -4.410 -13.560 -8.458 1.00 43.41 H new ATOM 0 HA ASP A 33 -3.749 -11.516 -10.463 1.00 33.21 H new ATOM 0 HB2 ASP A 33 -6.228 -13.280 -10.067 1.00 21.11 H new ATOM 0 HB3 ASP A 33 -5.872 -12.326 -11.493 1.00 21.11 H new ATOM 519 N ALA A 34 -4.901 -10.239 -8.109 1.00 65.32 N ATOM 520 CA ALA A 34 -5.619 -9.213 -7.327 1.00 2.21 C ATOM 521 C ALA A 34 -5.662 -7.822 -8.009 1.00 60.14 C ATOM 522 O ALA A 34 -4.610 -7.194 -8.187 1.00 15.23 O ATOM 523 CB ALA A 34 -4.943 -9.071 -5.962 1.00 14.23 C ATOM 0 H ALA A 34 -4.000 -10.493 -7.703 1.00 65.32 H new ATOM 0 HA ALA A 34 -6.651 -9.552 -7.238 1.00 2.21 H new ATOM 0 HB1 ALA A 34 -5.465 -8.315 -5.375 1.00 14.23 H new ATOM 0 HB2 ALA A 34 -4.978 -10.026 -5.438 1.00 14.23 H new ATOM 0 HB3 ALA A 34 -3.904 -8.770 -6.100 1.00 14.23 H new ATOM 529 N PRO A 35 -6.872 -7.314 -8.394 1.00 74.53 N ATOM 530 CA PRO A 35 -7.044 -5.891 -8.744 1.00 30.43 C ATOM 531 C PRO A 35 -7.114 -5.022 -7.458 1.00 3.22 C ATOM 532 O PRO A 35 -7.756 -5.407 -6.477 1.00 51.42 O ATOM 533 CB PRO A 35 -8.372 -5.879 -9.535 1.00 64.10 C ATOM 534 CG PRO A 35 -9.162 -7.019 -8.965 1.00 32.44 C ATOM 535 CD PRO A 35 -8.152 -8.071 -8.529 1.00 1.30 C ATOM 0 HA PRO A 35 -6.220 -5.475 -9.323 1.00 30.43 H new ATOM 0 HB2 PRO A 35 -8.898 -4.932 -9.413 1.00 64.10 H new ATOM 0 HB3 PRO A 35 -8.199 -6.012 -10.603 1.00 64.10 H new ATOM 0 HG2 PRO A 35 -9.766 -6.688 -8.120 1.00 32.44 H new ATOM 0 HG3 PRO A 35 -9.848 -7.425 -9.708 1.00 32.44 H new ATOM 0 HD2 PRO A 35 -8.442 -8.535 -7.586 1.00 1.30 H new ATOM 0 HD3 PRO A 35 -8.066 -8.871 -9.265 1.00 1.30 H new ATOM 543 N VAL A 36 -6.412 -3.878 -7.449 1.00 52.22 N ATOM 544 CA VAL A 36 -6.376 -2.949 -6.286 1.00 5.52 C ATOM 545 C VAL A 36 -6.597 -1.499 -6.730 1.00 52.03 C ATOM 546 O VAL A 36 -6.486 -1.166 -7.913 1.00 4.42 O ATOM 547 CB VAL A 36 -5.022 -3.050 -5.471 1.00 44.45 C ATOM 548 CG1 VAL A 36 -4.880 -4.420 -4.759 1.00 50.31 C ATOM 549 CG2 VAL A 36 -3.798 -2.747 -6.380 1.00 63.44 C ATOM 0 H VAL A 36 -5.852 -3.563 -8.241 1.00 52.22 H new ATOM 0 HA VAL A 36 -7.189 -3.255 -5.628 1.00 5.52 H new ATOM 0 HB VAL A 36 -5.051 -2.289 -4.691 1.00 44.45 H new ATOM 0 HG11 VAL A 36 -3.938 -4.449 -4.211 1.00 50.31 H new ATOM 0 HG12 VAL A 36 -5.709 -4.557 -4.064 1.00 50.31 H new ATOM 0 HG13 VAL A 36 -4.893 -5.219 -5.501 1.00 50.31 H new ATOM 0 HG21 VAL A 36 -2.882 -2.824 -5.794 1.00 63.44 H new ATOM 0 HG22 VAL A 36 -3.766 -3.466 -7.199 1.00 63.44 H new ATOM 0 HG23 VAL A 36 -3.886 -1.739 -6.785 1.00 63.44 H new ATOM 559 N ARG A 37 -6.906 -0.643 -5.754 1.00 74.22 N ATOM 560 CA ARG A 37 -7.134 0.787 -5.976 1.00 15.51 C ATOM 561 C ARG A 37 -6.550 1.577 -4.792 1.00 23.15 C ATOM 562 O ARG A 37 -7.128 1.594 -3.700 1.00 64.13 O ATOM 563 CB ARG A 37 -8.654 1.070 -6.140 1.00 14.14 C ATOM 564 CG ARG A 37 -8.976 2.436 -6.774 1.00 11.12 C ATOM 565 CD ARG A 37 -10.489 2.662 -6.962 1.00 1.01 C ATOM 566 NE ARG A 37 -11.127 1.573 -7.730 1.00 14.22 N ATOM 567 CZ ARG A 37 -11.403 1.600 -9.018 1.00 71.42 C ATOM 568 NH1 ARG A 37 -11.123 2.636 -9.747 1.00 31.55 N ATOM 569 NH2 ARG A 37 -11.955 0.570 -9.576 1.00 64.35 N ATOM 0 H ARG A 37 -7.006 -0.925 -4.779 1.00 74.22 H new ATOM 0 HA ARG A 37 -6.637 1.103 -6.893 1.00 15.51 H new ATOM 0 HB2 ARG A 37 -9.095 0.284 -6.754 1.00 14.14 H new ATOM 0 HB3 ARG A 37 -9.130 1.015 -5.161 1.00 14.14 H new ATOM 0 HG2 ARG A 37 -8.570 3.229 -6.146 1.00 11.12 H new ATOM 0 HG3 ARG A 37 -8.479 2.509 -7.741 1.00 11.12 H new ATOM 0 HD2 ARG A 37 -10.966 2.743 -5.985 1.00 1.01 H new ATOM 0 HD3 ARG A 37 -10.652 3.610 -7.476 1.00 1.01 H new ATOM 0 HE ARG A 37 -11.376 0.726 -7.218 1.00 14.22 H new ATOM 0 HH11 ARG A 37 -10.680 3.452 -9.325 1.00 31.55 H new ATOM 0 HH12 ARG A 37 -11.346 2.634 -10.742 1.00 31.55 H new ATOM 0 HH21 ARG A 37 -12.174 -0.256 -9.019 1.00 64.35 H new ATOM 0 HH22 ARG A 37 -12.171 0.585 -10.573 1.00 64.35 H new ATOM 583 N TRP A 38 -5.408 2.230 -5.015 1.00 10.15 N ATOM 584 CA TRP A 38 -4.713 2.996 -3.971 1.00 43.15 C ATOM 585 C TRP A 38 -5.315 4.405 -3.891 1.00 30.52 C ATOM 586 O TRP A 38 -5.614 4.996 -4.903 1.00 30.41 O ATOM 587 CB TRP A 38 -3.195 3.085 -4.286 1.00 14.20 C ATOM 588 CG TRP A 38 -2.445 1.797 -4.048 1.00 61.43 C ATOM 589 CD1 TRP A 38 -2.215 0.779 -4.936 1.00 2.10 C ATOM 590 CD2 TRP A 38 -1.830 1.398 -2.819 1.00 23.25 C ATOM 591 NE1 TRP A 38 -1.479 -0.214 -4.334 1.00 62.32 N ATOM 592 CE2 TRP A 38 -1.232 0.147 -3.033 1.00 72.32 C ATOM 593 CE3 TRP A 38 -1.719 1.998 -1.561 1.00 22.20 C ATOM 594 CZ2 TRP A 38 -0.543 -0.526 -2.029 1.00 63.12 C ATOM 595 CZ3 TRP A 38 -1.032 1.334 -0.568 1.00 71.22 C ATOM 596 CH2 TRP A 38 -0.455 0.084 -0.804 1.00 1.35 C ATOM 0 H TRP A 38 -4.938 2.245 -5.920 1.00 10.15 H new ATOM 0 HA TRP A 38 -4.838 2.491 -3.013 1.00 43.15 H new ATOM 0 HB2 TRP A 38 -3.067 3.382 -5.327 1.00 14.20 H new ATOM 0 HB3 TRP A 38 -2.752 3.870 -3.674 1.00 14.20 H new ATOM 0 HD1 TRP A 38 -2.561 0.760 -5.959 1.00 2.10 H new ATOM 0 HE1 TRP A 38 -1.168 -1.077 -4.781 1.00 62.32 H new ATOM 0 HE3 TRP A 38 -2.163 2.964 -1.371 1.00 22.20 H new ATOM 0 HZ2 TRP A 38 -0.095 -1.492 -2.208 1.00 63.12 H new ATOM 0 HZ3 TRP A 38 -0.938 1.787 0.408 1.00 71.22 H new ATOM 0 HH2 TRP A 38 0.072 -0.413 -0.003 1.00 1.35 H new ATOM 607 N TYR A 39 -5.531 4.898 -2.672 1.00 72.25 N ATOM 608 CA TYR A 39 -6.011 6.277 -2.415 1.00 12.34 C ATOM 609 C TYR A 39 -4.928 7.073 -1.665 1.00 63.55 C ATOM 610 O TYR A 39 -3.948 6.491 -1.184 1.00 74.13 O ATOM 611 CB TYR A 39 -7.350 6.246 -1.631 1.00 72.33 C ATOM 612 CG TYR A 39 -8.576 5.841 -2.473 1.00 1.34 C ATOM 613 CD1 TYR A 39 -8.855 4.502 -2.776 1.00 41.31 C ATOM 614 CD2 TYR A 39 -9.457 6.810 -2.966 1.00 12.52 C ATOM 615 CE1 TYR A 39 -9.958 4.156 -3.529 1.00 2.43 C ATOM 616 CE2 TYR A 39 -10.560 6.462 -3.721 1.00 10.04 C ATOM 617 CZ TYR A 39 -10.804 5.137 -3.999 1.00 23.20 C ATOM 618 OH TYR A 39 -11.910 4.788 -4.746 1.00 51.30 O ATOM 0 H TYR A 39 -5.380 4.356 -1.821 1.00 72.25 H new ATOM 0 HA TYR A 39 -6.202 6.778 -3.364 1.00 12.34 H new ATOM 0 HB2 TYR A 39 -7.252 5.550 -0.797 1.00 72.33 H new ATOM 0 HB3 TYR A 39 -7.529 7.233 -1.204 1.00 72.33 H new ATOM 0 HD1 TYR A 39 -8.195 3.727 -2.414 1.00 41.31 H new ATOM 0 HD2 TYR A 39 -9.271 7.852 -2.752 1.00 12.52 H new ATOM 0 HE1 TYR A 39 -10.158 3.118 -3.750 1.00 2.43 H new ATOM 0 HE2 TYR A 39 -11.227 7.226 -4.091 1.00 10.04 H new ATOM 0 HH TYR A 39 -12.402 5.597 -4.999 1.00 51.30 H new ATOM 628 N LYS A 40 -5.110 8.401 -1.559 1.00 21.13 N ATOM 629 CA LYS A 40 -4.028 9.309 -1.109 1.00 14.33 C ATOM 630 C LYS A 40 -4.599 10.566 -0.402 1.00 44.31 C ATOM 631 O LYS A 40 -4.240 10.872 0.744 1.00 51.01 O ATOM 632 CB LYS A 40 -3.173 9.677 -2.367 1.00 13.13 C ATOM 633 CG LYS A 40 -1.795 10.348 -2.115 1.00 71.13 C ATOM 634 CD LYS A 40 -1.849 11.883 -1.967 1.00 70.44 C ATOM 635 CE LYS A 40 -0.452 12.516 -1.982 1.00 4.13 C ATOM 636 NZ LYS A 40 -0.512 13.996 -2.114 1.00 34.11 N ATOM 0 H LYS A 40 -5.988 8.872 -1.776 1.00 21.13 H new ATOM 0 HA LYS A 40 -3.400 8.816 -0.367 1.00 14.33 H new ATOM 0 HB2 LYS A 40 -3.005 8.765 -2.940 1.00 13.13 H new ATOM 0 HB3 LYS A 40 -3.764 10.344 -2.994 1.00 13.13 H new ATOM 0 HG2 LYS A 40 -1.358 9.924 -1.211 1.00 71.13 H new ATOM 0 HG3 LYS A 40 -1.127 10.098 -2.939 1.00 71.13 H new ATOM 0 HD2 LYS A 40 -2.445 12.304 -2.777 1.00 70.44 H new ATOM 0 HD3 LYS A 40 -2.352 12.139 -1.034 1.00 70.44 H new ATOM 0 HE2 LYS A 40 0.074 12.255 -1.064 1.00 4.13 H new ATOM 0 HE3 LYS A 40 0.125 12.101 -2.809 1.00 4.13 H new ATOM 0 HZ1 LYS A 40 0.452 14.376 -2.205 1.00 34.11 H new ATOM 0 HZ2 LYS A 40 -1.064 14.247 -2.959 1.00 34.11 H new ATOM 0 HZ3 LYS A 40 -0.965 14.402 -1.271 1.00 34.11 H new ATOM 650 N ASP A 41 -5.504 11.277 -1.100 1.00 42.53 N ATOM 651 CA ASP A 41 -6.050 12.587 -0.651 1.00 50.22 C ATOM 652 C ASP A 41 -7.584 12.649 -0.915 1.00 10.10 C ATOM 653 O ASP A 41 -8.154 13.703 -1.204 1.00 32.54 O ATOM 654 CB ASP A 41 -5.279 13.724 -1.393 1.00 31.51 C ATOM 655 CG ASP A 41 -5.516 15.125 -0.797 1.00 53.22 C ATOM 656 OD1 ASP A 41 -5.222 15.324 0.402 1.00 31.55 O ATOM 657 OD2 ASP A 41 -5.981 16.033 -1.515 1.00 23.32 O ATOM 0 H ASP A 41 -5.883 10.965 -1.994 1.00 42.53 H new ATOM 0 HA ASP A 41 -5.909 12.714 0.422 1.00 50.22 H new ATOM 0 HB2 ASP A 41 -4.212 13.504 -1.367 1.00 31.51 H new ATOM 0 HB3 ASP A 41 -5.578 13.730 -2.441 1.00 31.51 H new ATOM 662 N GLY A 42 -8.246 11.488 -0.776 1.00 22.13 N ATOM 663 CA GLY A 42 -9.652 11.306 -1.198 1.00 11.01 C ATOM 664 C GLY A 42 -9.759 10.814 -2.647 1.00 50.21 C ATOM 665 O GLY A 42 -10.695 10.096 -3.014 1.00 51.25 O ATOM 0 H GLY A 42 -7.827 10.651 -0.370 1.00 22.13 H new ATOM 0 HA2 GLY A 42 -10.139 10.591 -0.536 1.00 11.01 H new ATOM 0 HA3 GLY A 42 -10.186 12.251 -1.096 1.00 11.01 H new ATOM 669 N GLN A 43 -8.780 11.234 -3.469 1.00 42.33 N ATOM 670 CA GLN A 43 -8.600 10.776 -4.856 1.00 73.51 C ATOM 671 C GLN A 43 -7.763 9.476 -4.872 1.00 20.13 C ATOM 672 O GLN A 43 -6.955 9.240 -3.952 1.00 64.52 O ATOM 673 CB GLN A 43 -7.862 11.867 -5.681 1.00 42.20 C ATOM 674 CG GLN A 43 -8.513 13.268 -5.656 1.00 34.03 C ATOM 675 CD GLN A 43 -7.755 14.308 -6.495 1.00 51.21 C ATOM 676 OE1 GLN A 43 -7.131 13.986 -7.501 1.00 31.12 O ATOM 677 NE2 GLN A 43 -7.776 15.560 -6.076 1.00 73.22 N ATOM 0 H GLN A 43 -8.078 11.915 -3.180 1.00 42.33 H new ATOM 0 HA GLN A 43 -9.579 10.587 -5.296 1.00 73.51 H new ATOM 0 HB2 GLN A 43 -6.841 11.952 -5.308 1.00 42.20 H new ATOM 0 HB3 GLN A 43 -7.796 11.534 -6.717 1.00 42.20 H new ATOM 0 HG2 GLN A 43 -9.536 13.192 -6.024 1.00 34.03 H new ATOM 0 HG3 GLN A 43 -8.570 13.616 -4.625 1.00 34.03 H new ATOM 0 HE21 GLN A 43 -8.301 15.808 -5.237 1.00 73.22 H new ATOM 0 HE22 GLN A 43 -7.268 16.279 -6.591 1.00 73.22 H new ATOM 686 N GLU A 44 -7.942 8.644 -5.917 1.00 1.24 N ATOM 687 CA GLU A 44 -7.101 7.446 -6.111 1.00 45.42 C ATOM 688 C GLU A 44 -5.750 7.832 -6.769 1.00 71.25 C ATOM 689 O GLU A 44 -5.577 8.955 -7.257 1.00 72.21 O ATOM 690 CB GLU A 44 -7.831 6.353 -6.947 1.00 71.40 C ATOM 691 CG GLU A 44 -8.034 6.687 -8.441 1.00 34.14 C ATOM 692 CD GLU A 44 -8.457 5.469 -9.276 1.00 53.15 C ATOM 693 OE1 GLU A 44 -7.568 4.726 -9.751 1.00 65.53 O ATOM 694 OE2 GLU A 44 -9.673 5.240 -9.450 1.00 33.32 O ATOM 0 H GLU A 44 -8.655 8.778 -6.634 1.00 1.24 H new ATOM 0 HA GLU A 44 -6.902 7.021 -5.127 1.00 45.42 H new ATOM 0 HB2 GLU A 44 -7.264 5.425 -6.873 1.00 71.40 H new ATOM 0 HB3 GLU A 44 -8.807 6.167 -6.498 1.00 71.40 H new ATOM 0 HG2 GLU A 44 -8.792 7.465 -8.534 1.00 34.14 H new ATOM 0 HG3 GLU A 44 -7.107 7.094 -8.846 1.00 34.14 H new ATOM 701 N VAL A 45 -4.794 6.890 -6.782 1.00 22.40 N ATOM 702 CA VAL A 45 -3.442 7.128 -7.308 1.00 22.43 C ATOM 703 C VAL A 45 -3.341 6.651 -8.771 1.00 41.30 C ATOM 704 O VAL A 45 -3.326 5.447 -9.059 1.00 54.15 O ATOM 705 CB VAL A 45 -2.343 6.430 -6.427 1.00 43.42 C ATOM 706 CG1 VAL A 45 -0.919 6.697 -6.982 1.00 12.34 C ATOM 707 CG2 VAL A 45 -2.461 6.875 -4.947 1.00 41.51 C ATOM 0 H VAL A 45 -4.937 5.944 -6.429 1.00 22.40 H new ATOM 0 HA VAL A 45 -3.260 8.202 -7.272 1.00 22.43 H new ATOM 0 HB VAL A 45 -2.513 5.354 -6.471 1.00 43.42 H new ATOM 0 HG11 VAL A 45 -0.183 6.200 -6.350 1.00 12.34 H new ATOM 0 HG12 VAL A 45 -0.846 6.309 -7.998 1.00 12.34 H new ATOM 0 HG13 VAL A 45 -0.726 7.770 -6.989 1.00 12.34 H new ATOM 0 HG21 VAL A 45 -1.691 6.380 -4.356 1.00 41.51 H new ATOM 0 HG22 VAL A 45 -2.331 7.955 -4.880 1.00 41.51 H new ATOM 0 HG23 VAL A 45 -3.444 6.603 -4.563 1.00 41.51 H new ATOM 717 N GLU A 46 -3.303 7.624 -9.682 1.00 2.41 N ATOM 718 CA GLU A 46 -3.090 7.407 -11.126 1.00 20.45 C ATOM 719 C GLU A 46 -1.712 7.995 -11.508 1.00 24.41 C ATOM 720 O GLU A 46 -1.526 8.540 -12.601 1.00 62.41 O ATOM 721 CB GLU A 46 -4.245 8.105 -11.889 1.00 72.41 C ATOM 722 CG GLU A 46 -5.657 7.648 -11.446 1.00 62.44 C ATOM 723 CD GLU A 46 -6.784 8.536 -12.004 1.00 50.51 C ATOM 724 OE1 GLU A 46 -6.991 9.642 -11.460 1.00 44.43 O ATOM 725 OE2 GLU A 46 -7.466 8.133 -12.969 1.00 13.20 O ATOM 0 H GLU A 46 -3.421 8.607 -9.439 1.00 2.41 H new ATOM 0 HA GLU A 46 -3.092 6.348 -11.385 1.00 20.45 H new ATOM 0 HB2 GLU A 46 -4.162 9.183 -11.747 1.00 72.41 H new ATOM 0 HB3 GLU A 46 -4.130 7.914 -12.956 1.00 72.41 H new ATOM 0 HG2 GLU A 46 -5.818 6.620 -11.771 1.00 62.44 H new ATOM 0 HG3 GLU A 46 -5.707 7.649 -10.357 1.00 62.44 H new ATOM 732 N GLU A 47 -0.748 7.829 -10.567 1.00 12.40 N ATOM 733 CA GLU A 47 0.576 8.503 -10.564 1.00 55.05 C ATOM 734 C GLU A 47 0.461 10.051 -10.484 1.00 52.12 C ATOM 735 O GLU A 47 -0.634 10.618 -10.576 1.00 14.22 O ATOM 736 CB GLU A 47 1.468 8.056 -11.768 1.00 51.31 C ATOM 737 CG GLU A 47 1.992 6.604 -11.698 1.00 61.13 C ATOM 738 CD GLU A 47 0.891 5.537 -11.699 1.00 73.33 C ATOM 739 OE1 GLU A 47 0.228 5.354 -12.738 1.00 23.25 O ATOM 740 OE2 GLU A 47 0.682 4.890 -10.662 1.00 14.23 O ATOM 0 H GLU A 47 -0.873 7.207 -9.769 1.00 12.40 H new ATOM 0 HA GLU A 47 1.076 8.178 -9.651 1.00 55.05 H new ATOM 0 HB2 GLU A 47 0.894 8.174 -12.687 1.00 51.31 H new ATOM 0 HB3 GLU A 47 2.322 8.730 -11.836 1.00 51.31 H new ATOM 0 HG2 GLU A 47 2.654 6.427 -12.546 1.00 61.13 H new ATOM 0 HG3 GLU A 47 2.592 6.490 -10.795 1.00 61.13 H new ATOM 747 N SER A 48 1.606 10.731 -10.291 1.00 32.14 N ATOM 748 CA SER A 48 1.647 12.211 -10.160 1.00 74.40 C ATOM 749 C SER A 48 3.032 12.756 -10.560 1.00 32.23 C ATOM 750 O SER A 48 3.202 13.325 -11.645 1.00 55.45 O ATOM 751 CB SER A 48 1.281 12.637 -8.708 1.00 71.52 C ATOM 752 OG SER A 48 1.359 14.046 -8.535 1.00 13.22 O ATOM 0 H SER A 48 2.520 10.284 -10.221 1.00 32.14 H new ATOM 0 HA SER A 48 0.909 12.639 -10.839 1.00 74.40 H new ATOM 0 HB2 SER A 48 0.272 12.297 -8.473 1.00 71.52 H new ATOM 0 HB3 SER A 48 1.954 12.147 -8.005 1.00 71.52 H new ATOM 0 HG SER A 48 1.121 14.276 -7.613 1.00 13.22 H new ATOM 758 N ASP A 49 4.022 12.525 -9.682 1.00 61.10 N ATOM 759 CA ASP A 49 5.404 13.001 -9.852 1.00 23.03 C ATOM 760 C ASP A 49 6.300 12.296 -8.809 1.00 34.20 C ATOM 761 O ASP A 49 7.236 11.568 -9.152 1.00 31.32 O ATOM 762 CB ASP A 49 5.465 14.548 -9.699 1.00 3.30 C ATOM 763 CG ASP A 49 6.837 15.131 -10.060 1.00 22.12 C ATOM 764 OD1 ASP A 49 7.176 15.143 -11.261 1.00 61.12 O ATOM 765 OD2 ASP A 49 7.590 15.550 -9.158 1.00 75.41 O ATOM 0 H ASP A 49 3.882 11.995 -8.822 1.00 61.10 H new ATOM 0 HA ASP A 49 5.764 12.759 -10.852 1.00 23.03 H new ATOM 0 HB2 ASP A 49 4.705 15.001 -10.335 1.00 3.30 H new ATOM 0 HB3 ASP A 49 5.221 14.816 -8.671 1.00 3.30 H new ATOM 770 N PHE A 50 5.980 12.525 -7.519 1.00 12.15 N ATOM 771 CA PHE A 50 6.594 11.801 -6.385 1.00 74.03 C ATOM 772 C PHE A 50 5.714 10.621 -5.916 1.00 14.34 C ATOM 773 O PHE A 50 6.112 9.867 -5.041 1.00 52.41 O ATOM 774 CB PHE A 50 6.873 12.772 -5.208 1.00 3.34 C ATOM 775 CG PHE A 50 7.890 13.858 -5.551 1.00 72.43 C ATOM 776 CD1 PHE A 50 9.236 13.534 -5.723 1.00 52.13 C ATOM 777 CD2 PHE A 50 7.507 15.189 -5.713 1.00 42.42 C ATOM 778 CE1 PHE A 50 10.164 14.505 -6.047 1.00 44.23 C ATOM 779 CE2 PHE A 50 8.439 16.159 -6.035 1.00 15.14 C ATOM 780 CZ PHE A 50 9.766 15.816 -6.201 1.00 65.13 C ATOM 0 H PHE A 50 5.288 13.218 -7.233 1.00 12.15 H new ATOM 0 HA PHE A 50 7.541 11.387 -6.733 1.00 74.03 H new ATOM 0 HB2 PHE A 50 5.938 13.242 -4.904 1.00 3.34 H new ATOM 0 HB3 PHE A 50 7.235 12.201 -4.353 1.00 3.34 H new ATOM 0 HD1 PHE A 50 9.557 12.510 -5.601 1.00 52.13 H new ATOM 0 HD2 PHE A 50 6.471 15.466 -5.586 1.00 42.42 H new ATOM 0 HE1 PHE A 50 11.202 14.237 -6.180 1.00 44.23 H new ATOM 0 HE2 PHE A 50 8.128 17.186 -6.157 1.00 15.14 H new ATOM 0 HZ PHE A 50 10.492 16.575 -6.452 1.00 65.13 H new ATOM 790 N VAL A 51 4.516 10.455 -6.500 1.00 23.13 N ATOM 791 CA VAL A 51 3.600 9.349 -6.133 1.00 42.32 C ATOM 792 C VAL A 51 3.516 8.337 -7.306 1.00 53.40 C ATOM 793 O VAL A 51 2.924 8.644 -8.345 1.00 42.31 O ATOM 794 CB VAL A 51 2.155 9.881 -5.761 1.00 72.51 C ATOM 795 CG1 VAL A 51 1.311 8.775 -5.082 1.00 71.32 C ATOM 796 CG2 VAL A 51 2.226 11.158 -4.877 1.00 53.42 C ATOM 0 H VAL A 51 4.154 11.070 -7.229 1.00 23.13 H new ATOM 0 HA VAL A 51 4.001 8.854 -5.248 1.00 42.32 H new ATOM 0 HB VAL A 51 1.658 10.157 -6.691 1.00 72.51 H new ATOM 0 HG11 VAL A 51 0.324 9.169 -4.838 1.00 71.32 H new ATOM 0 HG12 VAL A 51 1.206 7.929 -5.761 1.00 71.32 H new ATOM 0 HG13 VAL A 51 1.807 8.448 -4.168 1.00 71.32 H new ATOM 0 HG21 VAL A 51 1.216 11.494 -4.642 1.00 53.42 H new ATOM 0 HG22 VAL A 51 2.758 10.932 -3.953 1.00 53.42 H new ATOM 0 HG23 VAL A 51 2.754 11.945 -5.416 1.00 53.42 H new ATOM 806 N VAL A 52 4.152 7.156 -7.140 1.00 34.13 N ATOM 807 CA VAL A 52 4.192 6.081 -8.175 1.00 63.30 C ATOM 808 C VAL A 52 3.786 4.709 -7.572 1.00 5.52 C ATOM 809 O VAL A 52 3.881 4.502 -6.357 1.00 60.24 O ATOM 810 CB VAL A 52 5.615 5.966 -8.853 1.00 52.43 C ATOM 811 CG1 VAL A 52 5.981 7.255 -9.632 1.00 74.44 C ATOM 812 CG2 VAL A 52 6.714 5.608 -7.817 1.00 32.05 C ATOM 0 H VAL A 52 4.655 6.914 -6.286 1.00 34.13 H new ATOM 0 HA VAL A 52 3.471 6.359 -8.944 1.00 63.30 H new ATOM 0 HB VAL A 52 5.562 5.149 -9.573 1.00 52.43 H new ATOM 0 HG11 VAL A 52 6.966 7.139 -10.085 1.00 74.44 H new ATOM 0 HG12 VAL A 52 5.241 7.431 -10.413 1.00 74.44 H new ATOM 0 HG13 VAL A 52 5.994 8.103 -8.947 1.00 74.44 H new ATOM 0 HG21 VAL A 52 7.679 5.537 -8.320 1.00 32.05 H new ATOM 0 HG22 VAL A 52 6.759 6.383 -7.052 1.00 32.05 H new ATOM 0 HG23 VAL A 52 6.477 4.652 -7.351 1.00 32.05 H new ATOM 822 N LEU A 53 3.321 3.781 -8.433 1.00 64.40 N ATOM 823 CA LEU A 53 2.869 2.427 -8.012 1.00 12.01 C ATOM 824 C LEU A 53 3.755 1.310 -8.621 1.00 32.13 C ATOM 825 O LEU A 53 4.023 1.300 -9.825 1.00 72.45 O ATOM 826 CB LEU A 53 1.385 2.212 -8.428 1.00 21.11 C ATOM 827 CG LEU A 53 0.363 3.242 -7.846 1.00 62.21 C ATOM 828 CD1 LEU A 53 -1.066 2.997 -8.380 1.00 32.45 C ATOM 829 CD2 LEU A 53 0.400 3.250 -6.300 1.00 62.21 C ATOM 0 H LEU A 53 3.246 3.942 -9.437 1.00 64.40 H new ATOM 0 HA LEU A 53 2.959 2.368 -6.927 1.00 12.01 H new ATOM 0 HB2 LEU A 53 1.324 2.242 -9.516 1.00 21.11 H new ATOM 0 HB3 LEU A 53 1.081 1.212 -8.119 1.00 21.11 H new ATOM 0 HG LEU A 53 0.664 4.232 -8.189 1.00 62.21 H new ATOM 0 HD11 LEU A 53 -1.746 3.734 -7.952 1.00 32.45 H new ATOM 0 HD12 LEU A 53 -1.069 3.089 -9.466 1.00 32.45 H new ATOM 0 HD13 LEU A 53 -1.393 1.996 -8.099 1.00 32.45 H new ATOM 0 HD21 LEU A 53 -0.321 3.975 -5.923 1.00 62.21 H new ATOM 0 HD22 LEU A 53 0.147 2.258 -5.925 1.00 62.21 H new ATOM 0 HD23 LEU A 53 1.400 3.522 -5.961 1.00 62.21 H new ATOM 841 N GLU A 54 4.199 0.373 -7.767 1.00 63.32 N ATOM 842 CA GLU A 54 4.892 -0.870 -8.182 1.00 23.25 C ATOM 843 C GLU A 54 4.025 -2.086 -7.793 1.00 4.31 C ATOM 844 O GLU A 54 3.738 -2.295 -6.614 1.00 20.33 O ATOM 845 CB GLU A 54 6.290 -0.957 -7.515 1.00 24.14 C ATOM 846 CG GLU A 54 7.325 0.052 -8.049 1.00 71.42 C ATOM 847 CD GLU A 54 7.711 -0.212 -9.512 1.00 50.43 C ATOM 848 OE1 GLU A 54 8.349 -1.255 -9.785 1.00 22.24 O ATOM 849 OE2 GLU A 54 7.384 0.608 -10.395 1.00 45.20 O ATOM 0 H GLU A 54 4.088 0.453 -6.756 1.00 63.32 H new ATOM 0 HA GLU A 54 5.036 -0.864 -9.262 1.00 23.25 H new ATOM 0 HB2 GLU A 54 6.175 -0.805 -6.442 1.00 24.14 H new ATOM 0 HB3 GLU A 54 6.681 -1.965 -7.654 1.00 24.14 H new ATOM 0 HG2 GLU A 54 6.922 1.061 -7.960 1.00 71.42 H new ATOM 0 HG3 GLU A 54 8.220 0.011 -7.428 1.00 71.42 H new ATOM 856 N ASN A 55 3.598 -2.878 -8.787 1.00 31.35 N ATOM 857 CA ASN A 55 2.623 -3.976 -8.581 1.00 1.14 C ATOM 858 C ASN A 55 3.086 -5.273 -9.286 1.00 14.42 C ATOM 859 O ASN A 55 3.162 -5.324 -10.515 1.00 24.43 O ATOM 860 CB ASN A 55 1.229 -3.529 -9.107 1.00 64.12 C ATOM 861 CG ASN A 55 0.621 -2.369 -8.305 1.00 62.33 C ATOM 862 OD1 ASN A 55 0.775 -2.275 -7.091 1.00 11.24 O ATOM 863 ND2 ASN A 55 -0.055 -1.467 -8.977 1.00 30.44 N ATOM 0 H ASN A 55 3.912 -2.782 -9.753 1.00 31.35 H new ATOM 0 HA ASN A 55 2.554 -4.193 -7.515 1.00 1.14 H new ATOM 0 HB2 ASN A 55 1.321 -3.231 -10.151 1.00 64.12 H new ATOM 0 HB3 ASN A 55 0.547 -4.379 -9.077 1.00 64.12 H new ATOM 0 HD21 ASN A 55 -0.464 -0.669 -8.491 1.00 30.44 H new ATOM 0 HD22 ASN A 55 -0.171 -1.564 -9.986 1.00 30.44 H new ATOM 870 N GLU A 56 3.386 -6.321 -8.491 1.00 52.54 N ATOM 871 CA GLU A 56 3.807 -7.640 -9.014 1.00 3.13 C ATOM 872 C GLU A 56 3.167 -8.795 -8.201 1.00 20.42 C ATOM 873 O GLU A 56 3.418 -8.932 -6.995 1.00 50.44 O ATOM 874 CB GLU A 56 5.358 -7.753 -9.011 1.00 44.31 C ATOM 875 CG GLU A 56 5.920 -9.111 -9.505 1.00 11.11 C ATOM 876 CD GLU A 56 5.445 -9.495 -10.920 1.00 60.02 C ATOM 877 OE1 GLU A 56 5.944 -8.914 -11.898 1.00 1.33 O ATOM 878 OE2 GLU A 56 4.563 -10.372 -11.057 1.00 52.34 O ATOM 0 H GLU A 56 3.344 -6.279 -7.473 1.00 52.54 H new ATOM 0 HA GLU A 56 3.456 -7.726 -10.042 1.00 3.13 H new ATOM 0 HB2 GLU A 56 5.766 -6.959 -9.637 1.00 44.31 H new ATOM 0 HB3 GLU A 56 5.718 -7.576 -7.997 1.00 44.31 H new ATOM 0 HG2 GLU A 56 7.009 -9.070 -9.495 1.00 11.11 H new ATOM 0 HG3 GLU A 56 5.624 -9.893 -8.806 1.00 11.11 H new ATOM 885 N GLY A 57 2.367 -9.630 -8.899 1.00 52.44 N ATOM 886 CA GLY A 57 1.687 -10.778 -8.290 1.00 15.31 C ATOM 887 C GLY A 57 0.698 -10.396 -7.174 1.00 53.51 C ATOM 888 O GLY A 57 -0.133 -9.512 -7.373 1.00 33.43 O ATOM 0 H GLY A 57 2.179 -9.522 -9.896 1.00 52.44 H new ATOM 0 HA2 GLY A 57 1.151 -11.324 -9.066 1.00 15.31 H new ATOM 0 HA3 GLY A 57 2.436 -11.457 -7.882 1.00 15.31 H new ATOM 892 N PRO A 58 0.742 -11.064 -5.985 1.00 41.22 N ATOM 893 CA PRO A 58 -0.083 -10.670 -4.816 1.00 44.11 C ATOM 894 C PRO A 58 0.573 -9.547 -3.953 1.00 62.52 C ATOM 895 O PRO A 58 0.067 -9.188 -2.892 1.00 20.34 O ATOM 896 CB PRO A 58 -0.200 -12.007 -4.055 1.00 21.41 C ATOM 897 CG PRO A 58 1.113 -12.693 -4.295 1.00 32.10 C ATOM 898 CD PRO A 58 1.562 -12.276 -5.687 1.00 55.10 C ATOM 0 HA PRO A 58 -1.042 -10.231 -5.091 1.00 44.11 H new ATOM 0 HB2 PRO A 58 -0.374 -11.844 -2.991 1.00 21.41 H new ATOM 0 HB3 PRO A 58 -1.033 -12.604 -4.427 1.00 21.41 H new ATOM 0 HG2 PRO A 58 1.848 -12.400 -3.545 1.00 32.10 H new ATOM 0 HG3 PRO A 58 1.004 -13.776 -4.229 1.00 32.10 H new ATOM 0 HD2 PRO A 58 2.628 -12.052 -5.712 1.00 55.10 H new ATOM 0 HD3 PRO A 58 1.385 -13.066 -6.417 1.00 55.10 H new ATOM 906 N HIS A 59 1.713 -9.001 -4.428 1.00 11.02 N ATOM 907 CA HIS A 59 2.430 -7.888 -3.760 1.00 61.33 C ATOM 908 C HIS A 59 2.143 -6.555 -4.489 1.00 12.53 C ATOM 909 O HIS A 59 2.587 -6.331 -5.619 1.00 32.33 O ATOM 910 CB HIS A 59 3.950 -8.186 -3.706 1.00 41.22 C ATOM 911 CG HIS A 59 4.304 -9.356 -2.820 1.00 23.21 C ATOM 912 ND1 HIS A 59 5.059 -9.233 -1.675 1.00 32.24 N ATOM 913 CD2 HIS A 59 4.019 -10.676 -2.928 1.00 44.12 C ATOM 914 CE1 HIS A 59 5.220 -10.416 -1.124 1.00 45.11 C ATOM 915 NE2 HIS A 59 4.600 -11.305 -1.862 1.00 23.44 N ATOM 0 H HIS A 59 2.164 -9.318 -5.286 1.00 11.02 H new ATOM 0 HA HIS A 59 2.070 -7.795 -2.735 1.00 61.33 H new ATOM 0 HB2 HIS A 59 4.309 -8.384 -4.716 1.00 41.22 H new ATOM 0 HB3 HIS A 59 4.473 -7.299 -3.349 1.00 41.22 H new ATOM 0 HD2 HIS A 59 3.440 -11.144 -3.711 1.00 44.12 H new ATOM 0 HE1 HIS A 59 5.770 -10.621 -0.217 1.00 45.11 H new ATOM 0 HE2 HIS A 59 4.558 -12.306 -1.671 1.00 23.44 H new ATOM 924 N ARG A 60 1.347 -5.703 -3.834 1.00 15.42 N ATOM 925 CA ARG A 60 0.967 -4.362 -4.322 1.00 4.23 C ATOM 926 C ARG A 60 1.567 -3.302 -3.379 1.00 43.24 C ATOM 927 O ARG A 60 1.297 -3.332 -2.184 1.00 73.50 O ATOM 928 CB ARG A 60 -0.585 -4.243 -4.350 1.00 74.13 C ATOM 929 CG ARG A 60 -1.307 -5.346 -5.167 1.00 51.24 C ATOM 930 CD ARG A 60 -0.899 -5.346 -6.650 1.00 22.02 C ATOM 931 NE ARG A 60 -1.674 -6.296 -7.473 1.00 63.54 N ATOM 932 CZ ARG A 60 -1.213 -6.928 -8.536 1.00 3.21 C ATOM 933 NH1 ARG A 60 0.042 -6.858 -8.863 1.00 64.23 N ATOM 934 NH2 ARG A 60 -2.001 -7.662 -9.251 1.00 24.50 N ATOM 0 H ARG A 60 0.936 -5.927 -2.928 1.00 15.42 H new ATOM 0 HA ARG A 60 1.349 -4.205 -5.331 1.00 4.23 H new ATOM 0 HB2 ARG A 60 -0.956 -4.268 -3.325 1.00 74.13 H new ATOM 0 HB3 ARG A 60 -0.853 -3.270 -4.763 1.00 74.13 H new ATOM 0 HG2 ARG A 60 -1.083 -6.320 -4.732 1.00 51.24 H new ATOM 0 HG3 ARG A 60 -2.385 -5.203 -5.090 1.00 51.24 H new ATOM 0 HD2 ARG A 60 -1.025 -4.341 -7.053 1.00 22.02 H new ATOM 0 HD3 ARG A 60 0.160 -5.590 -6.727 1.00 22.02 H new ATOM 0 HE ARG A 60 -2.640 -6.478 -7.199 1.00 63.54 H new ATOM 0 HH11 ARG A 60 0.687 -6.309 -8.295 1.00 64.23 H new ATOM 0 HH12 ARG A 60 0.382 -7.352 -9.688 1.00 64.23 H new ATOM 0 HH21 ARG A 60 -2.984 -7.755 -8.995 1.00 24.50 H new ATOM 0 HH22 ARG A 60 -1.640 -8.148 -10.072 1.00 24.50 H new ATOM 948 N ARG A 61 2.371 -2.364 -3.905 1.00 74.33 N ATOM 949 CA ARG A 61 3.074 -1.364 -3.057 1.00 14.05 C ATOM 950 C ARG A 61 3.078 0.050 -3.697 1.00 13.34 C ATOM 951 O ARG A 61 3.349 0.215 -4.893 1.00 25.41 O ATOM 952 CB ARG A 61 4.527 -1.846 -2.736 1.00 51.22 C ATOM 953 CG ARG A 61 5.408 -2.084 -3.979 1.00 62.45 C ATOM 954 CD ARG A 61 6.831 -2.576 -3.661 1.00 52.33 C ATOM 955 NE ARG A 61 7.662 -2.622 -4.882 1.00 4.14 N ATOM 956 CZ ARG A 61 8.453 -3.602 -5.253 1.00 4.23 C ATOM 957 NH1 ARG A 61 8.662 -4.633 -4.497 1.00 44.14 N ATOM 958 NH2 ARG A 61 9.056 -3.523 -6.390 1.00 14.03 N ATOM 0 H ARG A 61 2.555 -2.270 -4.904 1.00 74.33 H new ATOM 0 HA ARG A 61 2.521 -1.281 -2.121 1.00 14.05 H new ATOM 0 HB2 ARG A 61 5.010 -1.105 -2.100 1.00 51.22 H new ATOM 0 HB3 ARG A 61 4.472 -2.771 -2.162 1.00 51.22 H new ATOM 0 HG2 ARG A 61 4.919 -2.815 -4.622 1.00 62.45 H new ATOM 0 HG3 ARG A 61 5.475 -1.155 -4.546 1.00 62.45 H new ATOM 0 HD2 ARG A 61 7.293 -1.915 -2.928 1.00 52.33 H new ATOM 0 HD3 ARG A 61 6.784 -3.568 -3.211 1.00 52.33 H new ATOM 0 HE ARG A 61 7.617 -1.811 -5.499 1.00 4.14 H new ATOM 0 HH11 ARG A 61 8.207 -4.699 -3.587 1.00 44.14 H new ATOM 0 HH12 ARG A 61 9.282 -5.379 -4.812 1.00 44.14 H new ATOM 0 HH21 ARG A 61 8.915 -2.708 -6.986 1.00 14.03 H new ATOM 0 HH22 ARG A 61 9.674 -4.276 -6.693 1.00 14.03 H new ATOM 972 N LEU A 62 2.741 1.059 -2.877 1.00 10.04 N ATOM 973 CA LEU A 62 2.831 2.485 -3.247 1.00 10.20 C ATOM 974 C LEU A 62 4.228 3.017 -2.858 1.00 21.45 C ATOM 975 O LEU A 62 4.585 3.043 -1.674 1.00 75.22 O ATOM 976 CB LEU A 62 1.685 3.283 -2.538 1.00 53.32 C ATOM 977 CG LEU A 62 1.402 4.757 -3.031 1.00 25.22 C ATOM 978 CD1 LEU A 62 -0.035 5.189 -2.669 1.00 61.21 C ATOM 979 CD2 LEU A 62 2.418 5.787 -2.473 1.00 64.51 C ATOM 0 H LEU A 62 2.395 0.909 -1.929 1.00 10.04 H new ATOM 0 HA LEU A 62 2.705 2.611 -4.322 1.00 10.20 H new ATOM 0 HB2 LEU A 62 0.763 2.711 -2.644 1.00 53.32 H new ATOM 0 HB3 LEU A 62 1.914 3.324 -1.473 1.00 53.32 H new ATOM 0 HG LEU A 62 1.518 4.744 -4.115 1.00 25.22 H new ATOM 0 HD11 LEU A 62 -0.208 6.207 -3.018 1.00 61.21 H new ATOM 0 HD12 LEU A 62 -0.748 4.516 -3.145 1.00 61.21 H new ATOM 0 HD13 LEU A 62 -0.165 5.149 -1.588 1.00 61.21 H new ATOM 0 HD21 LEU A 62 2.171 6.781 -2.847 1.00 64.51 H new ATOM 0 HD22 LEU A 62 2.374 5.788 -1.384 1.00 64.51 H new ATOM 0 HD23 LEU A 62 3.424 5.517 -2.795 1.00 64.51 H new ATOM 991 N VAL A 63 5.012 3.429 -3.865 1.00 61.44 N ATOM 992 CA VAL A 63 6.363 3.985 -3.660 1.00 50.25 C ATOM 993 C VAL A 63 6.320 5.536 -3.684 1.00 72.21 C ATOM 994 O VAL A 63 5.759 6.145 -4.603 1.00 0.34 O ATOM 995 CB VAL A 63 7.369 3.436 -4.745 1.00 12.54 C ATOM 996 CG1 VAL A 63 8.808 3.985 -4.535 1.00 24.31 C ATOM 997 CG2 VAL A 63 7.359 1.882 -4.767 1.00 1.54 C ATOM 0 H VAL A 63 4.730 3.387 -4.844 1.00 61.44 H new ATOM 0 HA VAL A 63 6.719 3.665 -2.681 1.00 50.25 H new ATOM 0 HB VAL A 63 7.030 3.795 -5.717 1.00 12.54 H new ATOM 0 HG11 VAL A 63 9.467 3.582 -5.304 1.00 24.31 H new ATOM 0 HG12 VAL A 63 8.796 5.073 -4.602 1.00 24.31 H new ATOM 0 HG13 VAL A 63 9.172 3.686 -3.552 1.00 24.31 H new ATOM 0 HG21 VAL A 63 8.059 1.524 -5.522 1.00 1.54 H new ATOM 0 HG22 VAL A 63 7.654 1.502 -3.789 1.00 1.54 H new ATOM 0 HG23 VAL A 63 6.356 1.528 -5.006 1.00 1.54 H new ATOM 1007 N LEU A 64 6.914 6.151 -2.654 1.00 3.34 N ATOM 1008 CA LEU A 64 7.026 7.617 -2.516 1.00 14.41 C ATOM 1009 C LEU A 64 8.542 7.975 -2.400 1.00 33.23 C ATOM 1010 O LEU A 64 9.100 7.915 -1.297 1.00 3.54 O ATOM 1011 CB LEU A 64 6.206 8.114 -1.264 1.00 13.42 C ATOM 1012 CG LEU A 64 5.381 9.437 -1.429 1.00 42.45 C ATOM 1013 CD1 LEU A 64 6.240 10.593 -1.981 1.00 53.44 C ATOM 1014 CD2 LEU A 64 4.123 9.201 -2.288 1.00 51.13 C ATOM 0 H LEU A 64 7.338 5.641 -1.879 1.00 3.34 H new ATOM 0 HA LEU A 64 6.605 8.121 -3.386 1.00 14.41 H new ATOM 0 HB2 LEU A 64 5.518 7.320 -0.974 1.00 13.42 H new ATOM 0 HB3 LEU A 64 6.902 8.251 -0.436 1.00 13.42 H new ATOM 0 HG LEU A 64 5.053 9.741 -0.435 1.00 42.45 H new ATOM 0 HD11 LEU A 64 5.626 11.488 -2.078 1.00 53.44 H new ATOM 0 HD12 LEU A 64 7.065 10.792 -1.297 1.00 53.44 H new ATOM 0 HD13 LEU A 64 6.637 10.317 -2.958 1.00 53.44 H new ATOM 0 HD21 LEU A 64 3.569 10.135 -2.386 1.00 51.13 H new ATOM 0 HD22 LEU A 64 4.418 8.848 -3.276 1.00 51.13 H new ATOM 0 HD23 LEU A 64 3.491 8.453 -1.810 1.00 51.13 H new ATOM 1026 N PRO A 65 9.241 8.274 -3.557 1.00 34.11 N ATOM 1027 CA PRO A 65 10.688 8.658 -3.585 1.00 71.43 C ATOM 1028 C PRO A 65 11.083 9.775 -2.575 1.00 74.45 C ATOM 1029 O PRO A 65 12.055 9.626 -1.824 1.00 50.24 O ATOM 1030 CB PRO A 65 10.913 9.120 -5.064 1.00 21.42 C ATOM 1031 CG PRO A 65 9.535 9.238 -5.655 1.00 14.13 C ATOM 1032 CD PRO A 65 8.701 8.211 -4.939 1.00 4.01 C ATOM 0 HA PRO A 65 11.317 7.822 -3.279 1.00 71.43 H new ATOM 0 HB2 PRO A 65 11.441 10.073 -5.103 1.00 21.42 H new ATOM 0 HB3 PRO A 65 11.517 8.398 -5.614 1.00 21.42 H new ATOM 0 HG2 PRO A 65 9.131 10.240 -5.512 1.00 14.13 H new ATOM 0 HG3 PRO A 65 9.551 9.051 -6.729 1.00 14.13 H new ATOM 0 HD2 PRO A 65 7.639 8.454 -4.972 1.00 4.01 H new ATOM 0 HD3 PRO A 65 8.815 7.219 -5.375 1.00 4.01 H new ATOM 1040 N ALA A 66 10.325 10.884 -2.564 1.00 45.03 N ATOM 1041 CA ALA A 66 10.597 12.036 -1.674 1.00 20.23 C ATOM 1042 C ALA A 66 9.272 12.675 -1.196 1.00 75.10 C ATOM 1043 O ALA A 66 8.645 13.456 -1.923 1.00 54.13 O ATOM 1044 CB ALA A 66 11.492 13.058 -2.396 1.00 62.33 C ATOM 0 H ALA A 66 9.511 11.012 -3.165 1.00 45.03 H new ATOM 0 HA ALA A 66 11.130 11.688 -0.789 1.00 20.23 H new ATOM 0 HB1 ALA A 66 11.687 13.902 -1.735 1.00 62.33 H new ATOM 0 HB2 ALA A 66 12.435 12.586 -2.670 1.00 62.33 H new ATOM 0 HB3 ALA A 66 10.988 13.411 -3.296 1.00 62.33 H new ATOM 1050 N THR A 67 8.862 12.319 0.037 1.00 13.03 N ATOM 1051 CA THR A 67 7.534 12.666 0.596 1.00 53.11 C ATOM 1052 C THR A 67 7.477 14.125 1.108 1.00 23.23 C ATOM 1053 O THR A 67 8.072 14.461 2.138 1.00 43.55 O ATOM 1054 CB THR A 67 7.146 11.672 1.748 1.00 51.54 C ATOM 1055 OG1 THR A 67 7.386 10.318 1.321 1.00 44.31 O ATOM 1056 CG2 THR A 67 5.667 11.795 2.157 1.00 54.11 C ATOM 0 H THR A 67 9.443 11.780 0.679 1.00 13.03 H new ATOM 0 HA THR A 67 6.812 12.577 -0.215 1.00 53.11 H new ATOM 0 HB THR A 67 7.762 11.928 2.610 1.00 51.54 H new ATOM 0 HG1 THR A 67 8.340 10.112 1.407 1.00 44.31 H new ATOM 0 HG21 THR A 67 5.450 11.086 2.956 1.00 54.11 H new ATOM 0 HG22 THR A 67 5.469 12.808 2.507 1.00 54.11 H new ATOM 0 HG23 THR A 67 5.033 11.577 1.298 1.00 54.11 H new ATOM 1064 N GLN A 68 6.763 14.978 0.358 1.00 55.24 N ATOM 1065 CA GLN A 68 6.547 16.400 0.703 1.00 11.33 C ATOM 1066 C GLN A 68 5.417 16.531 1.758 1.00 53.33 C ATOM 1067 O GLN A 68 4.549 15.661 1.811 1.00 4.11 O ATOM 1068 CB GLN A 68 6.195 17.188 -0.592 1.00 42.14 C ATOM 1069 CG GLN A 68 7.270 17.091 -1.694 1.00 71.11 C ATOM 1070 CD GLN A 68 6.935 17.853 -2.983 1.00 13.05 C ATOM 1071 OE1 GLN A 68 5.782 18.015 -3.355 1.00 43.14 O ATOM 1072 NE2 GLN A 68 7.948 18.307 -3.689 1.00 25.41 N ATOM 0 H GLN A 68 6.313 14.702 -0.515 1.00 55.24 H new ATOM 0 HA GLN A 68 7.456 16.817 1.136 1.00 11.33 H new ATOM 0 HB2 GLN A 68 5.250 16.816 -0.987 1.00 42.14 H new ATOM 0 HB3 GLN A 68 6.043 18.237 -0.337 1.00 42.14 H new ATOM 0 HG2 GLN A 68 8.212 17.470 -1.298 1.00 71.11 H new ATOM 0 HG3 GLN A 68 7.427 16.040 -1.939 1.00 71.11 H new ATOM 0 HE21 GLN A 68 8.903 18.162 -3.362 1.00 25.41 H new ATOM 0 HE22 GLN A 68 7.778 18.804 -4.563 1.00 25.41 H new ATOM 1081 N PRO A 69 5.399 17.626 2.608 1.00 23.30 N ATOM 1082 CA PRO A 69 4.381 17.808 3.696 1.00 71.34 C ATOM 1083 C PRO A 69 2.901 17.645 3.236 1.00 51.31 C ATOM 1084 O PRO A 69 2.046 17.201 4.007 1.00 64.12 O ATOM 1085 CB PRO A 69 4.656 19.246 4.196 1.00 53.53 C ATOM 1086 CG PRO A 69 6.105 19.478 3.898 1.00 71.00 C ATOM 1087 CD PRO A 69 6.373 18.753 2.595 1.00 42.25 C ATOM 0 HA PRO A 69 4.484 17.037 4.460 1.00 71.34 H new ATOM 0 HB2 PRO A 69 4.025 19.972 3.683 1.00 53.53 H new ATOM 0 HB3 PRO A 69 4.450 19.341 5.262 1.00 53.53 H new ATOM 0 HG2 PRO A 69 6.321 20.542 3.806 1.00 71.00 H new ATOM 0 HG3 PRO A 69 6.737 19.093 4.698 1.00 71.00 H new ATOM 0 HD2 PRO A 69 6.219 19.405 1.735 1.00 42.25 H new ATOM 0 HD3 PRO A 69 7.400 18.393 2.542 1.00 42.25 H new ATOM 1095 N SER A 70 2.635 17.999 1.966 1.00 74.14 N ATOM 1096 CA SER A 70 1.297 17.863 1.337 1.00 34.33 C ATOM 1097 C SER A 70 0.899 16.381 1.097 1.00 53.33 C ATOM 1098 O SER A 70 -0.275 16.034 1.228 1.00 21.54 O ATOM 1099 CB SER A 70 1.254 18.652 0.009 1.00 50.00 C ATOM 1100 OG SER A 70 0.001 18.518 -0.658 1.00 21.53 O ATOM 0 H SER A 70 3.340 18.389 1.340 1.00 74.14 H new ATOM 0 HA SER A 70 0.569 18.278 2.034 1.00 34.33 H new ATOM 0 HB2 SER A 70 1.446 19.706 0.209 1.00 50.00 H new ATOM 0 HB3 SER A 70 2.051 18.301 -0.646 1.00 50.00 H new ATOM 0 HG SER A 70 0.017 19.034 -1.491 1.00 21.53 H new ATOM 1106 N ASP A 71 1.886 15.516 0.767 1.00 55.33 N ATOM 1107 CA ASP A 71 1.647 14.071 0.483 1.00 5.15 C ATOM 1108 C ASP A 71 1.192 13.262 1.730 1.00 12.25 C ATOM 1109 O ASP A 71 0.596 12.190 1.593 1.00 33.04 O ATOM 1110 CB ASP A 71 2.910 13.418 -0.145 1.00 1.54 C ATOM 1111 CG ASP A 71 3.307 14.052 -1.489 1.00 4.04 C ATOM 1112 OD1 ASP A 71 2.477 14.041 -2.426 1.00 62.31 O ATOM 1113 OD2 ASP A 71 4.436 14.562 -1.618 1.00 75.43 O ATOM 0 H ASP A 71 2.865 15.791 0.689 1.00 55.33 H new ATOM 0 HA ASP A 71 0.823 14.037 -0.230 1.00 5.15 H new ATOM 0 HB2 ASP A 71 3.743 13.506 0.552 1.00 1.54 H new ATOM 0 HB3 ASP A 71 2.728 12.353 -0.291 1.00 1.54 H new ATOM 1118 N GLY A 72 1.452 13.808 2.922 1.00 2.41 N ATOM 1119 CA GLY A 72 1.137 13.139 4.197 1.00 33.14 C ATOM 1120 C GLY A 72 -0.340 13.255 4.592 1.00 32.21 C ATOM 1121 O GLY A 72 -0.731 14.171 5.326 1.00 14.13 O ATOM 0 H GLY A 72 1.886 14.724 3.035 1.00 2.41 H new ATOM 0 HA2 GLY A 72 1.405 12.085 4.122 1.00 33.14 H new ATOM 0 HA3 GLY A 72 1.752 13.569 4.987 1.00 33.14 H new ATOM 1125 N GLY A 73 -1.157 12.320 4.088 1.00 54.24 N ATOM 1126 CA GLY A 73 -2.589 12.245 4.424 1.00 50.33 C ATOM 1127 C GLY A 73 -3.043 10.819 4.751 1.00 43.14 C ATOM 1128 O GLY A 73 -2.267 10.017 5.295 1.00 53.03 O ATOM 0 H GLY A 73 -0.848 11.597 3.439 1.00 54.24 H new ATOM 0 HA2 GLY A 73 -2.793 12.892 5.277 1.00 50.33 H new ATOM 0 HA3 GLY A 73 -3.175 12.626 3.588 1.00 50.33 H new ATOM 1132 N GLU A 74 -4.310 10.512 4.432 1.00 13.41 N ATOM 1133 CA GLU A 74 -4.899 9.171 4.631 1.00 74.51 C ATOM 1134 C GLU A 74 -4.893 8.383 3.309 1.00 43.42 C ATOM 1135 O GLU A 74 -5.625 8.716 2.375 1.00 21.52 O ATOM 1136 CB GLU A 74 -6.352 9.287 5.161 1.00 34.32 C ATOM 1137 CG GLU A 74 -6.472 9.952 6.544 1.00 34.05 C ATOM 1138 CD GLU A 74 -7.923 10.057 7.033 1.00 10.32 C ATOM 1139 OE1 GLU A 74 -8.443 9.066 7.593 1.00 51.54 O ATOM 1140 OE2 GLU A 74 -8.559 11.114 6.834 1.00 55.32 O ATOM 0 H GLU A 74 -4.960 11.186 4.027 1.00 13.41 H new ATOM 0 HA GLU A 74 -4.295 8.640 5.367 1.00 74.51 H new ATOM 0 HB2 GLU A 74 -6.943 9.857 4.444 1.00 34.32 H new ATOM 0 HB3 GLU A 74 -6.788 8.289 5.212 1.00 34.32 H new ATOM 0 HG2 GLU A 74 -5.891 9.381 7.268 1.00 34.05 H new ATOM 0 HG3 GLU A 74 -6.035 10.950 6.501 1.00 34.05 H new ATOM 1147 N PHE A 75 -4.046 7.360 3.235 1.00 32.32 N ATOM 1148 CA PHE A 75 -3.974 6.445 2.082 1.00 64.34 C ATOM 1149 C PHE A 75 -4.891 5.226 2.323 1.00 11.24 C ATOM 1150 O PHE A 75 -5.032 4.769 3.458 1.00 43.31 O ATOM 1151 CB PHE A 75 -2.516 5.989 1.857 1.00 75.44 C ATOM 1152 CG PHE A 75 -1.523 7.110 1.512 1.00 24.33 C ATOM 1153 CD1 PHE A 75 -1.187 8.093 2.449 1.00 51.51 C ATOM 1154 CD2 PHE A 75 -0.903 7.162 0.265 1.00 65.24 C ATOM 1155 CE1 PHE A 75 -0.268 9.080 2.143 1.00 12.05 C ATOM 1156 CE2 PHE A 75 0.022 8.142 -0.034 1.00 63.02 C ATOM 1157 CZ PHE A 75 0.336 9.103 0.902 1.00 54.12 C ATOM 0 H PHE A 75 -3.382 7.134 3.976 1.00 32.32 H new ATOM 0 HA PHE A 75 -4.314 6.968 1.188 1.00 64.34 H new ATOM 0 HB2 PHE A 75 -2.168 5.482 2.757 1.00 75.44 H new ATOM 0 HB3 PHE A 75 -2.503 5.254 1.052 1.00 75.44 H new ATOM 0 HD1 PHE A 75 -1.651 8.081 3.424 1.00 51.51 H new ATOM 0 HD2 PHE A 75 -1.151 6.422 -0.481 1.00 65.24 H new ATOM 0 HE1 PHE A 75 -0.022 9.834 2.876 1.00 12.05 H new ATOM 0 HE2 PHE A 75 0.500 8.155 -1.002 1.00 63.02 H new ATOM 0 HZ PHE A 75 1.054 9.874 0.665 1.00 54.12 H new ATOM 1167 N GLN A 76 -5.503 4.692 1.254 1.00 4.14 N ATOM 1168 CA GLN A 76 -6.456 3.564 1.370 1.00 42.32 C ATOM 1169 C GLN A 76 -6.323 2.591 0.177 1.00 10.04 C ATOM 1170 O GLN A 76 -6.697 2.922 -0.948 1.00 34.43 O ATOM 1171 CB GLN A 76 -7.909 4.108 1.493 1.00 71.20 C ATOM 1172 CG GLN A 76 -9.001 3.033 1.711 1.00 14.22 C ATOM 1173 CD GLN A 76 -10.412 3.618 1.882 1.00 64.21 C ATOM 1174 OE1 GLN A 76 -10.586 4.731 2.373 1.00 14.21 O ATOM 1175 NE2 GLN A 76 -11.433 2.872 1.502 1.00 53.14 N ATOM 0 H GLN A 76 -5.359 5.019 0.299 1.00 4.14 H new ATOM 0 HA GLN A 76 -6.217 3.001 2.272 1.00 42.32 H new ATOM 0 HB2 GLN A 76 -7.946 4.814 2.323 1.00 71.20 H new ATOM 0 HB3 GLN A 76 -8.148 4.667 0.588 1.00 71.20 H new ATOM 0 HG2 GLN A 76 -9.000 2.349 0.863 1.00 14.22 H new ATOM 0 HG3 GLN A 76 -8.750 2.446 2.594 1.00 14.22 H new ATOM 0 HE21 GLN A 76 -11.268 1.951 1.096 1.00 53.14 H new ATOM 0 HE22 GLN A 76 -12.386 3.217 1.614 1.00 53.14 H new ATOM 1184 N CYS A 77 -5.773 1.394 0.434 1.00 23.14 N ATOM 1185 CA CYS A 77 -5.656 0.327 -0.583 1.00 10.24 C ATOM 1186 C CYS A 77 -6.942 -0.526 -0.612 1.00 33.11 C ATOM 1187 O CYS A 77 -7.140 -1.378 0.249 1.00 15.23 O ATOM 1188 CB CYS A 77 -4.424 -0.568 -0.306 1.00 15.14 C ATOM 1189 SG CYS A 77 -4.189 -1.899 -1.513 1.00 12.12 S ATOM 0 H CYS A 77 -5.397 1.135 1.346 1.00 23.14 H new ATOM 0 HA CYS A 77 -5.522 0.797 -1.557 1.00 10.24 H new ATOM 0 HB2 CYS A 77 -3.531 0.056 -0.292 1.00 15.14 H new ATOM 0 HB3 CYS A 77 -4.523 -1.006 0.687 1.00 15.14 H new ATOM 0 HG CYS A 77 -3.621 -2.915 -0.934 1.00 12.12 H new ATOM 1195 N VAL A 78 -7.836 -0.250 -1.574 1.00 65.32 N ATOM 1196 CA VAL A 78 -9.077 -1.030 -1.776 1.00 31.30 C ATOM 1197 C VAL A 78 -8.825 -2.166 -2.791 1.00 20.51 C ATOM 1198 O VAL A 78 -8.722 -1.911 -3.997 1.00 75.53 O ATOM 1199 CB VAL A 78 -10.263 -0.122 -2.289 1.00 3.41 C ATOM 1200 CG1 VAL A 78 -11.584 -0.933 -2.426 1.00 24.14 C ATOM 1201 CG2 VAL A 78 -10.455 1.116 -1.381 1.00 30.33 C ATOM 0 H VAL A 78 -7.724 0.518 -2.235 1.00 65.32 H new ATOM 0 HA VAL A 78 -9.363 -1.448 -0.811 1.00 31.30 H new ATOM 0 HB VAL A 78 -9.995 0.235 -3.283 1.00 3.41 H new ATOM 0 HG11 VAL A 78 -12.379 -0.277 -2.781 1.00 24.14 H new ATOM 0 HG12 VAL A 78 -11.440 -1.746 -3.138 1.00 24.14 H new ATOM 0 HG13 VAL A 78 -11.860 -1.345 -1.455 1.00 24.14 H new ATOM 0 HG21 VAL A 78 -11.278 1.721 -1.760 1.00 30.33 H new ATOM 0 HG22 VAL A 78 -10.681 0.791 -0.366 1.00 30.33 H new ATOM 0 HG23 VAL A 78 -9.541 1.709 -1.377 1.00 30.33 H new ATOM 1211 N ALA A 79 -8.708 -3.407 -2.297 1.00 54.31 N ATOM 1212 CA ALA A 79 -8.534 -4.594 -3.157 1.00 20.13 C ATOM 1213 C ALA A 79 -9.888 -5.026 -3.766 1.00 74.31 C ATOM 1214 O ALA A 79 -10.025 -5.173 -4.983 1.00 43.23 O ATOM 1215 CB ALA A 79 -7.893 -5.738 -2.356 1.00 20.24 C ATOM 0 H ALA A 79 -8.731 -3.619 -1.300 1.00 54.31 H new ATOM 0 HA ALA A 79 -7.866 -4.339 -3.980 1.00 20.13 H new ATOM 0 HB1 ALA A 79 -7.769 -6.609 -3.000 1.00 20.24 H new ATOM 0 HB2 ALA A 79 -6.919 -5.420 -1.984 1.00 20.24 H new ATOM 0 HB3 ALA A 79 -8.536 -5.998 -1.515 1.00 20.24 H new ATOM 1221 N GLY A 80 -10.887 -5.211 -2.893 1.00 41.33 N ATOM 1222 CA GLY A 80 -12.236 -5.600 -3.317 1.00 71.54 C ATOM 1223 C GLY A 80 -13.203 -5.677 -2.139 1.00 23.21 C ATOM 1224 O GLY A 80 -13.901 -4.707 -1.831 1.00 21.04 O ATOM 0 H GLY A 80 -10.784 -5.097 -1.885 1.00 41.33 H new ATOM 0 HA2 GLY A 80 -12.609 -4.881 -4.046 1.00 71.54 H new ATOM 0 HA3 GLY A 80 -12.195 -6.568 -3.816 1.00 71.54 H new ATOM 1228 N ASP A 81 -13.235 -6.845 -1.475 1.00 41.30 N ATOM 1229 CA ASP A 81 -14.018 -7.052 -0.237 1.00 71.24 C ATOM 1230 C ASP A 81 -13.401 -6.255 0.945 1.00 4.34 C ATOM 1231 O ASP A 81 -14.127 -5.611 1.706 1.00 75.03 O ATOM 1232 CB ASP A 81 -14.144 -8.570 0.091 1.00 13.33 C ATOM 1233 CG ASP A 81 -12.816 -9.333 0.003 1.00 20.25 C ATOM 1234 OD1 ASP A 81 -12.406 -9.679 -1.127 1.00 51.34 O ATOM 1235 OD2 ASP A 81 -12.181 -9.591 1.045 1.00 63.32 O ATOM 0 H ASP A 81 -12.721 -7.673 -1.778 1.00 41.30 H new ATOM 0 HA ASP A 81 -15.026 -6.669 -0.397 1.00 71.24 H new ATOM 0 HB2 ASP A 81 -14.552 -8.683 1.096 1.00 13.33 H new ATOM 0 HB3 ASP A 81 -14.859 -9.023 -0.596 1.00 13.33 H new ATOM 1240 N GLU A 82 -12.051 -6.280 1.063 1.00 14.10 N ATOM 1241 CA GLU A 82 -11.312 -5.534 2.119 1.00 33.24 C ATOM 1242 C GLU A 82 -10.676 -4.228 1.586 1.00 14.42 C ATOM 1243 O GLU A 82 -10.377 -4.101 0.388 1.00 55.44 O ATOM 1244 CB GLU A 82 -10.215 -6.438 2.751 1.00 12.33 C ATOM 1245 CG GLU A 82 -10.728 -7.754 3.368 1.00 21.05 C ATOM 1246 CD GLU A 82 -11.637 -7.584 4.606 1.00 34.25 C ATOM 1247 OE1 GLU A 82 -12.827 -7.224 4.453 1.00 53.23 O ATOM 1248 OE2 GLU A 82 -11.173 -7.838 5.738 1.00 41.40 O ATOM 0 H GLU A 82 -11.446 -6.811 0.437 1.00 14.10 H new ATOM 0 HA GLU A 82 -12.041 -5.254 2.880 1.00 33.24 H new ATOM 0 HB2 GLU A 82 -9.477 -6.677 1.985 1.00 12.33 H new ATOM 0 HB3 GLU A 82 -9.698 -5.869 3.524 1.00 12.33 H new ATOM 0 HG2 GLU A 82 -11.278 -8.305 2.605 1.00 21.05 H new ATOM 0 HG3 GLU A 82 -9.870 -8.366 3.647 1.00 21.05 H new ATOM 1255 N CYS A 83 -10.468 -3.265 2.510 1.00 4.33 N ATOM 1256 CA CYS A 83 -9.747 -2.000 2.243 1.00 14.43 C ATOM 1257 C CYS A 83 -8.853 -1.638 3.457 1.00 22.43 C ATOM 1258 O CYS A 83 -9.340 -1.524 4.584 1.00 73.44 O ATOM 1259 CB CYS A 83 -10.739 -0.849 1.940 1.00 31.43 C ATOM 1260 SG CYS A 83 -11.923 -0.505 3.262 1.00 74.33 S ATOM 0 H CYS A 83 -10.799 -3.344 3.472 1.00 4.33 H new ATOM 0 HA CYS A 83 -9.117 -2.139 1.365 1.00 14.43 H new ATOM 0 HB2 CYS A 83 -10.170 0.058 1.735 1.00 31.43 H new ATOM 0 HB3 CYS A 83 -11.290 -1.092 1.031 1.00 31.43 H new ATOM 0 HG CYS A 83 -11.374 -0.757 4.413 1.00 74.33 H new ATOM 1266 N ALA A 84 -7.541 -1.465 3.205 1.00 53.50 N ATOM 1267 CA ALA A 84 -6.523 -1.195 4.248 1.00 40.34 C ATOM 1268 C ALA A 84 -6.271 0.323 4.403 1.00 31.21 C ATOM 1269 O ALA A 84 -6.218 1.049 3.406 1.00 65.41 O ATOM 1270 CB ALA A 84 -5.220 -1.925 3.883 1.00 22.53 C ATOM 0 H ALA A 84 -7.151 -1.509 2.264 1.00 53.50 H new ATOM 0 HA ALA A 84 -6.891 -1.564 5.205 1.00 40.34 H new ATOM 0 HB1 ALA A 84 -4.467 -1.730 4.647 1.00 22.53 H new ATOM 0 HB2 ALA A 84 -5.408 -2.997 3.824 1.00 22.53 H new ATOM 0 HB3 ALA A 84 -4.860 -1.566 2.919 1.00 22.53 H new ATOM 1276 N TYR A 85 -6.101 0.786 5.658 1.00 13.41 N ATOM 1277 CA TYR A 85 -5.941 2.227 5.983 1.00 32.01 C ATOM 1278 C TYR A 85 -4.502 2.543 6.465 1.00 61.53 C ATOM 1279 O TYR A 85 -3.956 1.844 7.329 1.00 30.12 O ATOM 1280 CB TYR A 85 -6.976 2.634 7.064 1.00 62.23 C ATOM 1281 CG TYR A 85 -8.433 2.324 6.671 1.00 72.12 C ATOM 1282 CD1 TYR A 85 -9.114 3.118 5.746 1.00 20.14 C ATOM 1283 CD2 TYR A 85 -9.119 1.225 7.210 1.00 10.24 C ATOM 1284 CE1 TYR A 85 -10.418 2.835 5.381 1.00 42.11 C ATOM 1285 CE2 TYR A 85 -10.424 0.943 6.841 1.00 71.33 C ATOM 1286 CZ TYR A 85 -11.066 1.749 5.929 1.00 61.20 C ATOM 1287 OH TYR A 85 -12.367 1.464 5.560 1.00 62.44 O ATOM 0 H TYR A 85 -6.070 0.177 6.476 1.00 13.41 H new ATOM 0 HA TYR A 85 -6.117 2.806 5.076 1.00 32.01 H new ATOM 0 HB2 TYR A 85 -6.741 2.115 7.993 1.00 62.23 H new ATOM 0 HB3 TYR A 85 -6.881 3.702 7.262 1.00 62.23 H new ATOM 0 HD1 TYR A 85 -8.614 3.969 5.307 1.00 20.14 H new ATOM 0 HD2 TYR A 85 -8.621 0.588 7.925 1.00 10.24 H new ATOM 0 HE1 TYR A 85 -10.928 3.465 4.667 1.00 42.11 H new ATOM 0 HE2 TYR A 85 -10.936 0.093 7.268 1.00 71.33 H new ATOM 0 HH TYR A 85 -12.365 0.933 4.737 1.00 62.44 H new ATOM 1297 N PHE A 86 -3.908 3.603 5.892 1.00 10.24 N ATOM 1298 CA PHE A 86 -2.549 4.084 6.228 1.00 22.44 C ATOM 1299 C PHE A 86 -2.627 5.571 6.653 1.00 32.25 C ATOM 1300 O PHE A 86 -2.946 6.437 5.830 1.00 2.50 O ATOM 1301 CB PHE A 86 -1.596 3.954 5.002 1.00 22.30 C ATOM 1302 CG PHE A 86 -1.544 2.565 4.360 1.00 45.30 C ATOM 1303 CD1 PHE A 86 -2.430 2.215 3.333 1.00 1.31 C ATOM 1304 CD2 PHE A 86 -0.603 1.619 4.767 1.00 62.12 C ATOM 1305 CE1 PHE A 86 -2.375 0.967 2.744 1.00 2.22 C ATOM 1306 CE2 PHE A 86 -0.551 0.370 4.176 1.00 42.20 C ATOM 1307 CZ PHE A 86 -1.434 0.045 3.163 1.00 14.23 C ATOM 0 H PHE A 86 -4.363 4.162 5.170 1.00 10.24 H new ATOM 0 HA PHE A 86 -2.156 3.476 7.043 1.00 22.44 H new ATOM 0 HB2 PHE A 86 -1.904 4.675 4.245 1.00 22.30 H new ATOM 0 HB3 PHE A 86 -0.589 4.230 5.314 1.00 22.30 H new ATOM 0 HD1 PHE A 86 -3.166 2.931 2.997 1.00 1.31 H new ATOM 0 HD2 PHE A 86 0.094 1.865 5.554 1.00 62.12 H new ATOM 0 HE1 PHE A 86 -3.067 0.711 1.956 1.00 2.22 H new ATOM 0 HE2 PHE A 86 0.180 -0.353 4.506 1.00 42.20 H new ATOM 0 HZ PHE A 86 -1.389 -0.929 2.699 1.00 14.23 H new ATOM 1317 N THR A 87 -2.344 5.864 7.932 1.00 1.24 N ATOM 1318 CA THR A 87 -2.348 7.250 8.456 1.00 44.32 C ATOM 1319 C THR A 87 -0.903 7.806 8.467 1.00 55.02 C ATOM 1320 O THR A 87 -0.107 7.472 9.348 1.00 74.42 O ATOM 1321 CB THR A 87 -2.959 7.306 9.898 1.00 12.33 C ATOM 1322 OG1 THR A 87 -4.266 6.699 9.903 1.00 72.10 O ATOM 1323 CG2 THR A 87 -3.069 8.752 10.425 1.00 61.24 C ATOM 0 H THR A 87 -2.108 5.159 8.630 1.00 1.24 H new ATOM 0 HA THR A 87 -2.969 7.864 7.804 1.00 44.32 H new ATOM 0 HB THR A 87 -2.286 6.757 10.556 1.00 12.33 H new ATOM 0 HG1 THR A 87 -4.641 6.736 10.808 1.00 72.10 H new ATOM 0 HG21 THR A 87 -3.498 8.742 11.427 1.00 61.24 H new ATOM 0 HG22 THR A 87 -2.077 9.203 10.459 1.00 61.24 H new ATOM 0 HG23 THR A 87 -3.710 9.333 9.762 1.00 61.24 H new ATOM 1331 N VAL A 88 -0.568 8.647 7.469 1.00 62.33 N ATOM 1332 CA VAL A 88 0.805 9.180 7.286 1.00 13.25 C ATOM 1333 C VAL A 88 0.912 10.642 7.793 1.00 61.21 C ATOM 1334 O VAL A 88 0.205 11.525 7.307 1.00 73.34 O ATOM 1335 CB VAL A 88 1.252 9.083 5.776 1.00 62.32 C ATOM 1336 CG1 VAL A 88 2.697 9.611 5.566 1.00 61.51 C ATOM 1337 CG2 VAL A 88 1.106 7.628 5.254 1.00 0.43 C ATOM 0 H VAL A 88 -1.233 8.977 6.769 1.00 62.33 H new ATOM 0 HA VAL A 88 1.479 8.566 7.883 1.00 13.25 H new ATOM 0 HB VAL A 88 0.590 9.724 5.195 1.00 62.32 H new ATOM 0 HG11 VAL A 88 2.966 9.527 4.513 1.00 61.51 H new ATOM 0 HG12 VAL A 88 2.751 10.656 5.871 1.00 61.51 H new ATOM 0 HG13 VAL A 88 3.390 9.022 6.166 1.00 61.51 H new ATOM 0 HG21 VAL A 88 1.419 7.582 4.211 1.00 0.43 H new ATOM 0 HG22 VAL A 88 1.731 6.963 5.850 1.00 0.43 H new ATOM 0 HG23 VAL A 88 0.065 7.315 5.334 1.00 0.43 H new ATOM 1347 N THR A 89 1.807 10.876 8.777 1.00 73.14 N ATOM 1348 CA THR A 89 2.018 12.204 9.419 1.00 72.32 C ATOM 1349 C THR A 89 3.487 12.668 9.255 1.00 22.25 C ATOM 1350 O THR A 89 4.419 11.903 9.510 1.00 70.21 O ATOM 1351 CB THR A 89 1.636 12.147 10.942 1.00 62.44 C ATOM 1352 OG1 THR A 89 0.249 11.772 11.086 1.00 62.12 O ATOM 1353 CG2 THR A 89 1.879 13.481 11.674 1.00 12.14 C ATOM 0 H THR A 89 2.411 10.147 9.155 1.00 73.14 H new ATOM 0 HA THR A 89 1.370 12.926 8.922 1.00 72.32 H new ATOM 0 HB THR A 89 2.286 11.401 11.400 1.00 62.44 H new ATOM 0 HG1 THR A 89 0.183 10.971 11.646 1.00 62.12 H new ATOM 0 HG21 THR A 89 1.596 13.378 12.722 1.00 12.14 H new ATOM 0 HG22 THR A 89 2.934 13.746 11.607 1.00 12.14 H new ATOM 0 HG23 THR A 89 1.279 14.264 11.212 1.00 12.14 H new ATOM 1361 N ILE A 90 3.682 13.942 8.846 1.00 25.24 N ATOM 1362 CA ILE A 90 5.022 14.514 8.540 1.00 20.22 C ATOM 1363 C ILE A 90 5.371 15.664 9.505 1.00 63.33 C ATOM 1364 O ILE A 90 4.721 16.713 9.509 1.00 73.33 O ATOM 1365 CB ILE A 90 5.082 15.016 7.048 1.00 22.33 C ATOM 1366 CG1 ILE A 90 4.639 13.871 6.081 1.00 23.32 C ATOM 1367 CG2 ILE A 90 6.495 15.554 6.673 1.00 35.50 C ATOM 1368 CD1 ILE A 90 4.628 14.239 4.618 1.00 24.11 C ATOM 0 H ILE A 90 2.918 14.606 8.717 1.00 25.24 H new ATOM 0 HA ILE A 90 5.760 13.723 8.674 1.00 20.22 H new ATOM 0 HB ILE A 90 4.389 15.851 6.944 1.00 22.33 H new ATOM 0 HG12 ILE A 90 5.305 13.020 6.221 1.00 23.32 H new ATOM 0 HG13 ILE A 90 3.639 13.543 6.365 1.00 23.32 H new ATOM 0 HG21 ILE A 90 6.493 15.890 5.636 1.00 35.50 H new ATOM 0 HG22 ILE A 90 6.751 16.389 7.325 1.00 35.50 H new ATOM 0 HG23 ILE A 90 7.231 14.760 6.796 1.00 35.50 H new ATOM 0 HD11 ILE A 90 4.307 13.380 4.029 1.00 24.11 H new ATOM 0 HD12 ILE A 90 3.938 15.067 4.456 1.00 24.11 H new ATOM 0 HD13 ILE A 90 5.630 14.536 4.310 1.00 24.11 H new TER 1380 ILE A 90