USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 759 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 50 TYR OH : rot 18:sc= -1.52! USER MOD Set 1.2: A 59 THR OG1 : rot -83:sc= 0.535 USER MOD Set 1.3: A 62 GLN : amide:sc= 1.2 K(o=0.22,f=-7.2!) USER MOD Set 2.1: A 51 LYS NZ :NH3+ -164:sc= 0.117 (180deg=0.0573) USER MOD Set 2.2: A 57 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 85 TYR OH : rot 150:sc= -0.219 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.286 X(o=-0.29,f=-0.6) USER MOD Single : A 35 LYS NZ :NH3+ -176:sc= -0.0444 (180deg=-0.0786) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.766 K(o=0.77,f=-1.1) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 66:sc= 0.903 USER MOD Single : A 65 GLN : amide:sc= -1.66 K(o=-1.7,f=-3.8!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HE2:sc= -0.104 X(o=-0.1,f=-0.18) USER MOD Single : A 79 ASN : amide:sc= 0.448 X(o=0.45,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 SER OG : rot 148:sc= 1.23 USER MOD Single : A 98 TYR OH : rot -150:sc= -1.43! USER MOD Single : A 99 GLN : amide:sc= -6.21! C(o=-6.2!,f=-7.4!) USER MOD Single : A 102 SER OG : rot 32:sc= 0.441 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 HIS : no HD1:sc= -1.03 K(o=-1,f=0) USER MOD Single : A 108 GLN : amide:sc= 0.409 X(o=0.41,f=-0.0071) USER MOD Single : A 113 SER OG : rot -75:sc= 0.206 USER MOD Single : A 122 SER OG : rot 42:sc= -9.64! USER MOD Single : A 123 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 ASN : amide:sc= -0.0839 K(o=-0.084,f=-5.1!) USER MOD Single : A 130 THR OG1 : rot -160:sc= 0.119 USER MOD ----------------------------------------------------------------- ATOM 63 N GLU A 29 19.832 -4.300 -4.903 1.00 0.00 N ATOM 64 CA GLU A 29 18.970 -3.410 -4.136 1.00 0.00 C ATOM 65 C GLU A 29 17.782 -2.958 -4.973 1.00 0.00 C ATOM 66 O GLU A 29 16.646 -2.954 -4.503 1.00 0.00 O ATOM 67 CB GLU A 29 19.770 -2.190 -3.674 1.00 0.00 C ATOM 68 CG GLU A 29 18.982 -1.224 -2.806 1.00 0.00 C ATOM 69 CD GLU A 29 18.685 -1.783 -1.431 1.00 0.00 C ATOM 70 OE1 GLU A 29 19.514 -1.590 -0.515 1.00 0.00 O ATOM 71 OE2 GLU A 29 17.622 -2.410 -1.255 1.00 0.00 O ATOM 0 HA GLU A 29 18.596 -3.952 -3.268 1.00 0.00 H new ATOM 0 HB2 GLU A 29 20.644 -2.531 -3.119 1.00 0.00 H new ATOM 0 HB3 GLU A 29 20.138 -1.657 -4.551 1.00 0.00 H new ATOM 0 HG2 GLU A 29 19.542 -0.295 -2.703 1.00 0.00 H new ATOM 0 HG3 GLU A 29 18.044 -0.977 -3.304 1.00 0.00 H new ATOM 78 N LYS A 30 18.048 -2.608 -6.223 1.00 0.00 N ATOM 79 CA LYS A 30 17.007 -2.116 -7.112 1.00 0.00 C ATOM 80 C LYS A 30 16.000 -3.208 -7.443 1.00 0.00 C ATOM 81 O LYS A 30 14.797 -3.002 -7.327 1.00 0.00 O ATOM 82 CB LYS A 30 17.616 -1.571 -8.399 1.00 0.00 C ATOM 83 CG LYS A 30 18.461 -0.327 -8.195 1.00 0.00 C ATOM 84 CD LYS A 30 19.033 0.167 -9.511 1.00 0.00 C ATOM 85 CE LYS A 30 19.881 1.411 -9.317 1.00 0.00 C ATOM 86 NZ LYS A 30 20.510 1.852 -10.587 1.00 0.00 N ATOM 0 H LYS A 30 18.976 -2.656 -6.644 1.00 0.00 H new ATOM 0 HA LYS A 30 16.485 -1.312 -6.593 1.00 0.00 H new ATOM 0 HB2 LYS A 30 18.231 -2.346 -8.856 1.00 0.00 H new ATOM 0 HB3 LYS A 30 16.815 -1.344 -9.102 1.00 0.00 H new ATOM 0 HG2 LYS A 30 17.855 0.457 -7.741 1.00 0.00 H new ATOM 0 HG3 LYS A 30 19.273 -0.545 -7.501 1.00 0.00 H new ATOM 0 HD2 LYS A 30 19.637 -0.619 -9.964 1.00 0.00 H new ATOM 0 HD3 LYS A 30 18.220 0.384 -10.204 1.00 0.00 H new ATOM 0 HE2 LYS A 30 19.261 2.215 -8.920 1.00 0.00 H new ATOM 0 HE3 LYS A 30 20.656 1.211 -8.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 21.081 2.704 -10.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 21.121 1.094 -10.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 19.769 2.067 -11.285 1.00 0.00 H new ATOM 100 N ALA A 31 16.501 -4.377 -7.817 1.00 0.00 N ATOM 101 CA ALA A 31 15.645 -5.469 -8.268 1.00 0.00 C ATOM 102 C ALA A 31 14.666 -5.904 -7.182 1.00 0.00 C ATOM 103 O ALA A 31 13.479 -6.101 -7.443 1.00 0.00 O ATOM 104 CB ALA A 31 16.496 -6.646 -8.716 1.00 0.00 C ATOM 0 H ALA A 31 17.497 -4.595 -7.818 1.00 0.00 H new ATOM 0 HA ALA A 31 15.058 -5.107 -9.112 1.00 0.00 H new ATOM 0 HB1 ALA A 31 15.849 -7.456 -9.051 1.00 0.00 H new ATOM 0 HB2 ALA A 31 17.143 -6.336 -9.536 1.00 0.00 H new ATOM 0 HB3 ALA A 31 17.107 -6.991 -7.882 1.00 0.00 H new ATOM 110 N ASP A 32 15.164 -6.067 -5.966 1.00 0.00 N ATOM 111 CA ASP A 32 14.322 -6.498 -4.858 1.00 0.00 C ATOM 112 C ASP A 32 13.341 -5.418 -4.434 1.00 0.00 C ATOM 113 O ASP A 32 12.182 -5.712 -4.146 1.00 0.00 O ATOM 114 CB ASP A 32 15.162 -6.957 -3.672 1.00 0.00 C ATOM 115 CG ASP A 32 15.776 -8.316 -3.917 1.00 0.00 C ATOM 116 OD1 ASP A 32 17.001 -8.466 -3.734 1.00 0.00 O ATOM 117 OD2 ASP A 32 15.033 -9.239 -4.320 1.00 0.00 O ATOM 0 H ASP A 32 16.141 -5.909 -5.721 1.00 0.00 H new ATOM 0 HA ASP A 32 13.740 -7.347 -5.215 1.00 0.00 H new ATOM 0 HB2 ASP A 32 15.951 -6.230 -3.481 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.540 -6.994 -2.778 1.00 0.00 H new ATOM 122 N ARG A 33 13.789 -4.170 -4.403 1.00 0.00 N ATOM 123 CA ARG A 33 12.909 -3.077 -4.013 1.00 0.00 C ATOM 124 C ARG A 33 11.831 -2.859 -5.071 1.00 0.00 C ATOM 125 O ARG A 33 10.713 -2.485 -4.744 1.00 0.00 O ATOM 126 CB ARG A 33 13.672 -1.780 -3.717 1.00 0.00 C ATOM 127 CG ARG A 33 14.249 -1.084 -4.932 1.00 0.00 C ATOM 128 CD ARG A 33 15.001 0.173 -4.535 1.00 0.00 C ATOM 129 NE ARG A 33 15.429 0.940 -5.699 1.00 0.00 N ATOM 130 CZ ARG A 33 16.412 1.835 -5.685 1.00 0.00 C ATOM 131 NH1 ARG A 33 17.088 2.073 -4.567 1.00 0.00 N ATOM 132 NH2 ARG A 33 16.718 2.493 -6.798 1.00 0.00 N ATOM 0 H ARG A 33 14.741 -3.892 -4.639 1.00 0.00 H new ATOM 0 HA ARG A 33 12.428 -3.367 -3.079 1.00 0.00 H new ATOM 0 HB2 ARG A 33 13.000 -1.090 -3.207 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.484 -2.004 -3.026 1.00 0.00 H new ATOM 0 HG2 ARG A 33 14.920 -1.762 -5.459 1.00 0.00 H new ATOM 0 HG3 ARG A 33 13.447 -0.828 -5.624 1.00 0.00 H new ATOM 0 HD2 ARG A 33 14.364 0.794 -3.905 1.00 0.00 H new ATOM 0 HD3 ARG A 33 15.872 -0.098 -3.938 1.00 0.00 H new ATOM 0 HE ARG A 33 14.943 0.779 -6.581 1.00 0.00 H new ATOM 0 HH11 ARG A 33 16.854 1.568 -3.712 1.00 0.00 H new ATOM 0 HH12 ARG A 33 17.841 2.761 -4.563 1.00 0.00 H new ATOM 0 HH21 ARG A 33 16.200 2.310 -7.657 1.00 0.00 H new ATOM 0 HH22 ARG A 33 17.471 3.181 -6.793 1.00 0.00 H new ATOM 146 N GLN A 34 12.173 -3.074 -6.342 1.00 0.00 N ATOM 147 CA GLN A 34 11.190 -2.979 -7.424 1.00 0.00 C ATOM 148 C GLN A 34 10.042 -3.967 -7.218 1.00 0.00 C ATOM 149 O GLN A 34 8.910 -3.701 -7.620 1.00 0.00 O ATOM 150 CB GLN A 34 11.838 -3.217 -8.789 1.00 0.00 C ATOM 151 CG GLN A 34 12.715 -2.070 -9.266 1.00 0.00 C ATOM 152 CD GLN A 34 11.972 -0.750 -9.331 1.00 0.00 C ATOM 153 OE1 GLN A 34 11.963 0.019 -8.371 1.00 0.00 O ATOM 154 NE2 GLN A 34 11.342 -0.480 -10.462 1.00 0.00 N ATOM 0 H GLN A 34 13.116 -3.314 -6.647 1.00 0.00 H new ATOM 0 HA GLN A 34 10.788 -1.966 -7.402 1.00 0.00 H new ATOM 0 HB2 GLN A 34 12.439 -4.125 -8.741 1.00 0.00 H new ATOM 0 HB3 GLN A 34 11.054 -3.392 -9.526 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.569 -1.969 -8.596 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.111 -2.308 -10.253 1.00 0.00 H new ATOM 0 HE21 GLN A 34 11.374 -1.145 -11.235 1.00 0.00 H new ATOM 0 HE22 GLN A 34 10.824 0.393 -10.561 1.00 0.00 H new ATOM 163 N LYS A 35 10.336 -5.112 -6.602 1.00 0.00 N ATOM 164 CA LYS A 35 9.291 -6.063 -6.222 1.00 0.00 C ATOM 165 C LYS A 35 8.355 -5.401 -5.225 1.00 0.00 C ATOM 166 O LYS A 35 7.133 -5.490 -5.337 1.00 0.00 O ATOM 167 CB LYS A 35 9.889 -7.322 -5.589 1.00 0.00 C ATOM 168 CG LYS A 35 10.904 -8.044 -6.459 1.00 0.00 C ATOM 169 CD LYS A 35 11.411 -9.305 -5.773 1.00 0.00 C ATOM 170 CE LYS A 35 12.469 -10.017 -6.600 1.00 0.00 C ATOM 171 NZ LYS A 35 13.731 -9.237 -6.688 1.00 0.00 N ATOM 0 H LYS A 35 11.283 -5.402 -6.357 1.00 0.00 H new ATOM 0 HA LYS A 35 8.748 -6.355 -7.121 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.366 -7.049 -4.648 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.080 -8.012 -5.348 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.450 -8.303 -7.415 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.742 -7.381 -6.674 1.00 0.00 H new ATOM 0 HD2 LYS A 35 11.826 -9.046 -4.799 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.575 -9.981 -5.594 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.677 -10.992 -6.160 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.084 -10.196 -7.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.399 -9.728 -7.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.528 -8.291 -7.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.150 -9.146 -5.740 1.00 0.00 H new ATOM 185 N VAL A 36 8.958 -4.710 -4.268 1.00 0.00 N ATOM 186 CA VAL A 36 8.219 -3.953 -3.274 1.00 0.00 C ATOM 187 C VAL A 36 7.377 -2.876 -3.950 1.00 0.00 C ATOM 188 O VAL A 36 6.200 -2.717 -3.640 1.00 0.00 O ATOM 189 CB VAL A 36 9.186 -3.306 -2.254 1.00 0.00 C ATOM 190 CG1 VAL A 36 8.501 -2.210 -1.455 1.00 0.00 C ATOM 191 CG2 VAL A 36 9.769 -4.362 -1.326 1.00 0.00 C ATOM 0 H VAL A 36 9.971 -4.660 -4.161 1.00 0.00 H new ATOM 0 HA VAL A 36 7.558 -4.637 -2.742 1.00 0.00 H new ATOM 0 HB VAL A 36 10.000 -2.847 -2.814 1.00 0.00 H new ATOM 0 HG11 VAL A 36 9.210 -1.778 -0.748 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.145 -1.434 -2.133 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.656 -2.631 -0.910 1.00 0.00 H new ATOM 0 HG21 VAL A 36 10.447 -3.888 -0.616 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.962 -4.855 -0.784 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.316 -5.100 -1.913 1.00 0.00 H new ATOM 201 N VAL A 37 7.982 -2.167 -4.896 1.00 0.00 N ATOM 202 CA VAL A 37 7.293 -1.123 -5.648 1.00 0.00 C ATOM 203 C VAL A 37 6.092 -1.692 -6.405 1.00 0.00 C ATOM 204 O VAL A 37 5.046 -1.053 -6.490 1.00 0.00 O ATOM 205 CB VAL A 37 8.242 -0.417 -6.644 1.00 0.00 C ATOM 206 CG1 VAL A 37 7.513 0.680 -7.407 1.00 0.00 C ATOM 207 CG2 VAL A 37 9.452 0.156 -5.920 1.00 0.00 C ATOM 0 H VAL A 37 8.958 -2.298 -5.163 1.00 0.00 H new ATOM 0 HA VAL A 37 6.943 -0.389 -4.922 1.00 0.00 H new ATOM 0 HB VAL A 37 8.588 -1.161 -7.362 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.203 1.161 -8.101 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.682 0.246 -7.964 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.131 1.420 -6.704 1.00 0.00 H new ATOM 0 HG21 VAL A 37 10.107 0.648 -6.639 1.00 0.00 H new ATOM 0 HG22 VAL A 37 9.121 0.880 -5.175 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.996 -0.649 -5.426 1.00 0.00 H new ATOM 217 N SER A 38 6.248 -2.892 -6.949 1.00 0.00 N ATOM 218 CA SER A 38 5.171 -3.541 -7.685 1.00 0.00 C ATOM 219 C SER A 38 3.952 -3.755 -6.783 1.00 0.00 C ATOM 220 O SER A 38 2.821 -3.437 -7.161 1.00 0.00 O ATOM 221 CB SER A 38 5.650 -4.879 -8.259 1.00 0.00 C ATOM 222 OG SER A 38 4.633 -5.516 -9.014 1.00 0.00 O ATOM 0 H SER A 38 7.110 -3.435 -6.894 1.00 0.00 H new ATOM 0 HA SER A 38 4.878 -2.891 -8.510 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.523 -4.713 -8.890 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.964 -5.533 -7.446 1.00 0.00 H new ATOM 0 HG SER A 38 4.971 -6.365 -9.367 1.00 0.00 H new ATOM 228 N ASP A 39 4.182 -4.268 -5.582 1.00 0.00 N ATOM 229 CA ASP A 39 3.093 -4.457 -4.633 1.00 0.00 C ATOM 230 C ASP A 39 2.593 -3.106 -4.144 1.00 0.00 C ATOM 231 O ASP A 39 1.403 -2.909 -3.911 1.00 0.00 O ATOM 232 CB ASP A 39 3.535 -5.303 -3.439 1.00 0.00 C ATOM 233 CG ASP A 39 3.912 -6.716 -3.824 1.00 0.00 C ATOM 234 OD1 ASP A 39 3.005 -7.551 -4.022 1.00 0.00 O ATOM 235 OD2 ASP A 39 5.118 -7.006 -3.912 1.00 0.00 O ATOM 0 H ASP A 39 5.100 -4.557 -5.245 1.00 0.00 H new ATOM 0 HA ASP A 39 2.289 -4.985 -5.146 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.387 -4.824 -2.957 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.730 -5.335 -2.705 1.00 0.00 H new ATOM 240 N LEU A 40 3.529 -2.183 -4.007 1.00 0.00 N ATOM 241 CA LEU A 40 3.262 -0.837 -3.524 1.00 0.00 C ATOM 242 C LEU A 40 2.287 -0.101 -4.440 1.00 0.00 C ATOM 243 O LEU A 40 1.332 0.518 -3.971 1.00 0.00 O ATOM 244 CB LEU A 40 4.584 -0.080 -3.450 1.00 0.00 C ATOM 245 CG LEU A 40 4.564 1.247 -2.708 1.00 0.00 C ATOM 246 CD1 LEU A 40 4.419 1.020 -1.211 1.00 0.00 C ATOM 247 CD2 LEU A 40 5.830 2.023 -3.016 1.00 0.00 C ATOM 0 H LEU A 40 4.510 -2.349 -4.231 1.00 0.00 H new ATOM 0 HA LEU A 40 2.802 -0.896 -2.538 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.321 -0.726 -2.974 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.930 0.103 -4.467 1.00 0.00 H new ATOM 0 HG LEU A 40 3.705 1.829 -3.042 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.407 1.981 -0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.488 0.490 -1.012 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.259 0.426 -0.850 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.813 2.974 -2.483 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.698 1.445 -2.699 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.891 2.209 -4.088 1.00 0.00 H new ATOM 259 N VAL A 41 2.525 -0.172 -5.747 1.00 0.00 N ATOM 260 CA VAL A 41 1.634 0.462 -6.710 1.00 0.00 C ATOM 261 C VAL A 41 0.266 -0.212 -6.691 1.00 0.00 C ATOM 262 O VAL A 41 -0.759 0.449 -6.848 1.00 0.00 O ATOM 263 CB VAL A 41 2.208 0.481 -8.151 1.00 0.00 C ATOM 264 CG1 VAL A 41 3.538 1.217 -8.184 1.00 0.00 C ATOM 265 CG2 VAL A 41 2.364 -0.919 -8.718 1.00 0.00 C ATOM 0 H VAL A 41 3.321 -0.658 -6.160 1.00 0.00 H new ATOM 0 HA VAL A 41 1.532 1.503 -6.402 1.00 0.00 H new ATOM 0 HB VAL A 41 1.493 1.011 -8.780 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.927 1.221 -9.202 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.394 2.243 -7.847 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.248 0.715 -7.527 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.769 -0.859 -9.728 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.044 -1.493 -8.088 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.392 -1.411 -8.745 1.00 0.00 H new ATOM 275 N ALA A 42 0.254 -1.533 -6.496 1.00 0.00 N ATOM 276 CA ALA A 42 -0.995 -2.271 -6.351 1.00 0.00 C ATOM 277 C ALA A 42 -1.768 -1.774 -5.133 1.00 0.00 C ATOM 278 O ALA A 42 -2.988 -1.601 -5.190 1.00 0.00 O ATOM 279 CB ALA A 42 -0.727 -3.764 -6.232 1.00 0.00 C ATOM 0 H ALA A 42 1.094 -2.108 -6.436 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.599 -2.100 -7.242 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.672 -4.296 -6.125 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.213 -4.114 -7.127 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.103 -3.953 -5.359 1.00 0.00 H new ATOM 285 N LEU A 43 -1.047 -1.540 -4.038 1.00 0.00 N ATOM 286 CA LEU A 43 -1.641 -1.002 -2.819 1.00 0.00 C ATOM 287 C LEU A 43 -2.239 0.375 -3.083 1.00 0.00 C ATOM 288 O LEU A 43 -3.397 0.635 -2.770 1.00 0.00 O ATOM 289 CB LEU A 43 -0.578 -0.881 -1.719 1.00 0.00 C ATOM 290 CG LEU A 43 0.053 -2.191 -1.246 1.00 0.00 C ATOM 291 CD1 LEU A 43 1.123 -1.907 -0.207 1.00 0.00 C ATOM 292 CD2 LEU A 43 -1.003 -3.119 -0.673 1.00 0.00 C ATOM 0 H LEU A 43 -0.045 -1.716 -3.972 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.427 -1.684 -2.495 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.217 -0.228 -2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.029 -0.387 -0.858 1.00 0.00 H new ATOM 0 HG LEU A 43 0.513 -2.684 -2.103 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.567 -2.846 0.124 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.896 -1.274 -0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.676 -1.396 0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.533 -4.045 -0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.490 -2.637 0.175 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.745 -3.342 -1.439 1.00 0.00 H new ATOM 304 N GLU A 44 -1.442 1.232 -3.704 1.00 0.00 N ATOM 305 CA GLU A 44 -1.847 2.600 -4.002 1.00 0.00 C ATOM 306 C GLU A 44 -3.067 2.601 -4.928 1.00 0.00 C ATOM 307 O GLU A 44 -3.999 3.394 -4.756 1.00 0.00 O ATOM 308 CB GLU A 44 -0.651 3.339 -4.626 1.00 0.00 C ATOM 309 CG GLU A 44 -0.786 4.856 -4.697 1.00 0.00 C ATOM 310 CD GLU A 44 -1.644 5.323 -5.852 1.00 0.00 C ATOM 311 OE1 GLU A 44 -1.432 4.842 -6.983 1.00 0.00 O ATOM 312 OE2 GLU A 44 -2.524 6.180 -5.635 1.00 0.00 O ATOM 0 H GLU A 44 -0.499 1.001 -4.015 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.140 3.118 -3.089 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.244 3.097 -4.052 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.496 2.957 -5.635 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.215 5.221 -3.763 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.206 5.299 -4.787 1.00 0.00 H new ATOM 319 N GLY A 45 -3.067 1.681 -5.885 1.00 0.00 N ATOM 320 CA GLY A 45 -4.189 1.545 -6.791 1.00 0.00 C ATOM 321 C GLY A 45 -5.462 1.145 -6.071 1.00 0.00 C ATOM 322 O GLY A 45 -6.512 1.755 -6.275 1.00 0.00 O ATOM 0 H GLY A 45 -2.305 1.024 -6.049 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.350 2.489 -7.312 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.953 0.799 -7.549 1.00 0.00 H new ATOM 326 N ALA A 46 -5.362 0.131 -5.212 1.00 0.00 N ATOM 327 CA ALA A 46 -6.510 -0.356 -4.454 1.00 0.00 C ATOM 328 C ALA A 46 -7.048 0.716 -3.511 1.00 0.00 C ATOM 329 O ALA A 46 -8.257 0.825 -3.306 1.00 0.00 O ATOM 330 CB ALA A 46 -6.136 -1.604 -3.677 1.00 0.00 C ATOM 0 H ALA A 46 -4.493 -0.370 -5.024 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.300 -0.604 -5.163 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.002 -1.956 -3.116 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.812 -2.380 -4.370 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.325 -1.373 -2.986 1.00 0.00 H new ATOM 336 N LEU A 47 -6.141 1.497 -2.940 1.00 0.00 N ATOM 337 CA LEU A 47 -6.512 2.595 -2.053 1.00 0.00 C ATOM 338 C LEU A 47 -7.436 3.579 -2.761 1.00 0.00 C ATOM 339 O LEU A 47 -8.438 4.020 -2.194 1.00 0.00 O ATOM 340 CB LEU A 47 -5.255 3.314 -1.549 1.00 0.00 C ATOM 341 CG LEU A 47 -4.711 2.849 -0.189 1.00 0.00 C ATOM 342 CD1 LEU A 47 -4.653 1.332 -0.097 1.00 0.00 C ATOM 343 CD2 LEU A 47 -3.332 3.442 0.050 1.00 0.00 C ATOM 0 H LEU A 47 -5.136 1.390 -3.076 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.049 2.180 -1.200 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.468 3.192 -2.293 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.472 4.380 -1.486 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.395 3.202 0.583 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.263 1.041 0.879 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.654 0.921 -0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.999 0.945 -0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.954 3.107 1.016 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.654 3.115 -0.738 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.398 4.530 0.044 1.00 0.00 H new ATOM 355 N ASP A 48 -7.105 3.908 -4.005 1.00 0.00 N ATOM 356 CA ASP A 48 -7.953 4.782 -4.811 1.00 0.00 C ATOM 357 C ASP A 48 -9.262 4.088 -5.169 1.00 0.00 C ATOM 358 O ASP A 48 -10.321 4.715 -5.185 1.00 0.00 O ATOM 359 CB ASP A 48 -7.229 5.214 -6.087 1.00 0.00 C ATOM 360 CG ASP A 48 -8.135 5.966 -7.046 1.00 0.00 C ATOM 361 OD1 ASP A 48 -8.288 5.511 -8.204 1.00 0.00 O ATOM 362 OD2 ASP A 48 -8.693 7.009 -6.650 1.00 0.00 O ATOM 0 H ASP A 48 -6.260 3.585 -4.476 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.177 5.668 -4.217 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -6.381 5.846 -5.823 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.827 4.334 -6.588 1.00 0.00 H new ATOM 367 N MET A 49 -9.188 2.788 -5.435 1.00 0.00 N ATOM 368 CA MET A 49 -10.373 2.012 -5.786 1.00 0.00 C ATOM 369 C MET A 49 -11.401 2.068 -4.666 1.00 0.00 C ATOM 370 O MET A 49 -12.588 2.282 -4.910 1.00 0.00 O ATOM 371 CB MET A 49 -10.016 0.552 -6.080 1.00 0.00 C ATOM 372 CG MET A 49 -9.094 0.368 -7.272 1.00 0.00 C ATOM 373 SD MET A 49 -9.722 1.149 -8.769 1.00 0.00 S ATOM 374 CE MET A 49 -8.513 0.585 -9.963 1.00 0.00 C ATOM 0 H MET A 49 -8.322 2.250 -5.414 1.00 0.00 H new ATOM 0 HA MET A 49 -10.797 2.454 -6.687 1.00 0.00 H new ATOM 0 HB2 MET A 49 -9.543 0.120 -5.198 1.00 0.00 H new ATOM 0 HB3 MET A 49 -10.935 -0.008 -6.255 1.00 0.00 H new ATOM 0 HG2 MET A 49 -8.114 0.783 -7.035 1.00 0.00 H new ATOM 0 HG3 MET A 49 -8.953 -0.697 -7.455 1.00 0.00 H new ATOM 0 HE1 MET A 49 -8.760 0.983 -10.947 1.00 0.00 H new ATOM 0 HE2 MET A 49 -7.522 0.932 -9.669 1.00 0.00 H new ATOM 0 HE3 MET A 49 -8.519 -0.504 -10.001 1.00 0.00 H new ATOM 384 N TYR A 50 -10.937 1.891 -3.437 1.00 0.00 N ATOM 385 CA TYR A 50 -11.818 1.939 -2.284 1.00 0.00 C ATOM 386 C TYR A 50 -12.364 3.350 -2.085 1.00 0.00 C ATOM 387 O TYR A 50 -13.523 3.524 -1.715 1.00 0.00 O ATOM 388 CB TYR A 50 -11.107 1.456 -1.019 1.00 0.00 C ATOM 389 CG TYR A 50 -12.018 1.403 0.188 1.00 0.00 C ATOM 390 CD1 TYR A 50 -13.069 0.496 0.247 1.00 0.00 C ATOM 391 CD2 TYR A 50 -11.838 2.266 1.259 1.00 0.00 C ATOM 392 CE1 TYR A 50 -13.912 0.453 1.340 1.00 0.00 C ATOM 393 CE2 TYR A 50 -12.674 2.226 2.356 1.00 0.00 C ATOM 394 CZ TYR A 50 -13.710 1.320 2.390 1.00 0.00 C ATOM 395 OH TYR A 50 -14.545 1.282 3.479 1.00 0.00 O ATOM 0 H TYR A 50 -9.957 1.713 -3.215 1.00 0.00 H new ATOM 0 HA TYR A 50 -12.653 1.265 -2.475 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -10.693 0.464 -1.198 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -10.268 2.118 -0.805 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -13.229 -0.186 -0.575 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -11.030 2.982 1.234 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -14.725 -0.257 1.371 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -12.516 2.902 3.184 1.00 0.00 H new ATOM 0 HH TYR A 50 -15.030 0.431 3.490 1.00 0.00 H new ATOM 405 N LYS A 51 -11.532 4.356 -2.331 1.00 0.00 N ATOM 406 CA LYS A 51 -11.973 5.739 -2.213 1.00 0.00 C ATOM 407 C LYS A 51 -13.046 6.044 -3.256 1.00 0.00 C ATOM 408 O LYS A 51 -13.975 6.803 -3.001 1.00 0.00 O ATOM 409 CB LYS A 51 -10.804 6.712 -2.368 1.00 0.00 C ATOM 410 CG LYS A 51 -11.219 8.164 -2.187 1.00 0.00 C ATOM 411 CD LYS A 51 -10.060 9.120 -2.378 1.00 0.00 C ATOM 412 CE LYS A 51 -10.504 10.559 -2.186 1.00 0.00 C ATOM 413 NZ LYS A 51 -9.375 11.516 -2.305 1.00 0.00 N ATOM 0 H LYS A 51 -10.558 4.241 -2.611 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.393 5.870 -1.216 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -10.033 6.466 -1.638 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.360 6.586 -3.356 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -12.008 8.406 -2.899 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.638 8.298 -1.190 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.267 8.883 -1.668 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.642 8.995 -3.377 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.265 10.804 -2.927 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -10.967 10.667 -1.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.656 12.435 -1.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.553 11.150 -1.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.124 11.634 -3.307 1.00 0.00 H new ATOM 427 N LEU A 52 -12.914 5.448 -4.428 1.00 0.00 N ATOM 428 CA LEU A 52 -13.919 5.590 -5.470 1.00 0.00 C ATOM 429 C LEU A 52 -15.213 4.890 -5.060 1.00 0.00 C ATOM 430 O LEU A 52 -16.313 5.359 -5.352 1.00 0.00 O ATOM 431 CB LEU A 52 -13.400 5.008 -6.788 1.00 0.00 C ATOM 432 CG LEU A 52 -14.391 5.039 -7.955 1.00 0.00 C ATOM 433 CD1 LEU A 52 -14.762 6.469 -8.312 1.00 0.00 C ATOM 434 CD2 LEU A 52 -13.814 4.317 -9.162 1.00 0.00 C ATOM 0 H LEU A 52 -12.120 4.860 -4.683 1.00 0.00 H new ATOM 0 HA LEU A 52 -14.126 6.651 -5.611 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -12.504 5.556 -7.080 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -13.100 3.974 -6.616 1.00 0.00 H new ATOM 0 HG LEU A 52 -15.299 4.522 -7.645 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -15.467 6.465 -9.143 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -15.221 6.952 -7.449 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -13.865 7.017 -8.600 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -14.531 4.349 -9.982 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -12.889 4.805 -9.470 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -13.607 3.279 -8.901 1.00 0.00 H new ATOM 446 N ASP A 53 -15.066 3.765 -4.379 1.00 0.00 N ATOM 447 CA ASP A 53 -16.206 2.953 -3.975 1.00 0.00 C ATOM 448 C ASP A 53 -16.961 3.550 -2.784 1.00 0.00 C ATOM 449 O ASP A 53 -18.188 3.668 -2.818 1.00 0.00 O ATOM 450 CB ASP A 53 -15.731 1.540 -3.637 1.00 0.00 C ATOM 451 CG ASP A 53 -16.812 0.697 -2.998 1.00 0.00 C ATOM 452 OD1 ASP A 53 -17.893 0.547 -3.606 1.00 0.00 O ATOM 453 OD2 ASP A 53 -16.573 0.168 -1.889 1.00 0.00 O ATOM 0 H ASP A 53 -14.162 3.390 -4.092 1.00 0.00 H new ATOM 0 HA ASP A 53 -16.903 2.926 -4.813 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -15.385 1.050 -4.547 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -14.877 1.600 -2.963 1.00 0.00 H new ATOM 458 N ASN A 54 -16.239 3.946 -1.742 1.00 0.00 N ATOM 459 CA ASN A 54 -16.881 4.418 -0.516 1.00 0.00 C ATOM 460 C ASN A 54 -16.434 5.824 -0.124 1.00 0.00 C ATOM 461 O ASN A 54 -16.507 6.199 1.047 1.00 0.00 O ATOM 462 CB ASN A 54 -16.633 3.441 0.639 1.00 0.00 C ATOM 463 CG ASN A 54 -17.802 2.496 0.858 1.00 0.00 C ATOM 464 OD1 ASN A 54 -18.739 2.815 1.589 1.00 0.00 O ATOM 465 ND2 ASN A 54 -17.767 1.330 0.229 1.00 0.00 N ATOM 0 H ASN A 54 -15.219 3.951 -1.718 1.00 0.00 H new ATOM 0 HA ASN A 54 -17.950 4.465 -0.722 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -15.733 2.861 0.434 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -16.448 4.004 1.554 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -18.532 0.665 0.344 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -16.975 1.097 -0.370 1.00 0.00 H new ATOM 472 N SER A 55 -15.952 6.582 -1.106 1.00 0.00 N ATOM 473 CA SER A 55 -15.682 8.021 -0.958 1.00 0.00 C ATOM 474 C SER A 55 -14.459 8.341 -0.084 1.00 0.00 C ATOM 475 O SER A 55 -13.972 9.473 -0.101 1.00 0.00 O ATOM 476 CB SER A 55 -16.915 8.737 -0.403 1.00 0.00 C ATOM 477 OG SER A 55 -18.065 8.454 -1.185 1.00 0.00 O ATOM 0 H SER A 55 -15.735 6.219 -2.034 1.00 0.00 H new ATOM 0 HA SER A 55 -15.449 8.384 -1.959 1.00 0.00 H new ATOM 0 HB2 SER A 55 -17.087 8.426 0.628 1.00 0.00 H new ATOM 0 HB3 SER A 55 -16.738 9.812 -0.386 1.00 0.00 H new ATOM 0 HG SER A 55 -18.840 8.922 -0.809 1.00 0.00 H new ATOM 483 N ARG A 56 -13.951 7.371 0.664 1.00 0.00 N ATOM 484 CA ARG A 56 -12.847 7.640 1.579 1.00 0.00 C ATOM 485 C ARG A 56 -11.797 6.531 1.521 1.00 0.00 C ATOM 486 O ARG A 56 -12.088 5.411 1.107 1.00 0.00 O ATOM 487 CB ARG A 56 -13.385 7.842 3.010 1.00 0.00 C ATOM 488 CG ARG A 56 -14.042 6.618 3.643 1.00 0.00 C ATOM 489 CD ARG A 56 -13.038 5.794 4.429 1.00 0.00 C ATOM 490 NE ARG A 56 -13.686 4.898 5.385 1.00 0.00 N ATOM 491 CZ ARG A 56 -13.051 3.928 6.038 1.00 0.00 C ATOM 492 NH1 ARG A 56 -11.767 3.700 5.806 1.00 0.00 N ATOM 493 NH2 ARG A 56 -13.697 3.191 6.933 1.00 0.00 N ATOM 0 H ARG A 56 -14.278 6.405 0.658 1.00 0.00 H new ATOM 0 HA ARG A 56 -12.352 8.560 1.268 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -12.561 8.161 3.648 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -14.110 8.656 2.996 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -14.849 6.937 4.303 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -14.491 6.001 2.865 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.431 5.208 3.738 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.360 6.461 4.961 1.00 0.00 H new ATOM 0 HE ARG A 56 -14.683 5.024 5.562 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.263 4.269 5.126 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.282 2.956 6.308 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.684 3.367 7.122 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -13.207 2.448 7.432 1.00 0.00 H new ATOM 507 N TYR A 57 -10.576 6.869 1.929 1.00 0.00 N ATOM 508 CA TYR A 57 -9.447 5.938 1.894 1.00 0.00 C ATOM 509 C TYR A 57 -9.581 4.844 2.951 1.00 0.00 C ATOM 510 O TYR A 57 -10.135 5.069 4.026 1.00 0.00 O ATOM 511 CB TYR A 57 -8.129 6.686 2.108 1.00 0.00 C ATOM 512 CG TYR A 57 -7.635 7.435 0.888 1.00 0.00 C ATOM 513 CD1 TYR A 57 -7.722 8.817 0.813 1.00 0.00 C ATOM 514 CD2 TYR A 57 -7.070 6.754 -0.183 1.00 0.00 C ATOM 515 CE1 TYR A 57 -7.262 9.499 -0.295 1.00 0.00 C ATOM 516 CE2 TYR A 57 -6.608 7.430 -1.295 1.00 0.00 C ATOM 517 CZ TYR A 57 -6.707 8.803 -1.344 1.00 0.00 C ATOM 518 OH TYR A 57 -6.252 9.483 -2.448 1.00 0.00 O ATOM 0 H TYR A 57 -10.340 7.792 2.292 1.00 0.00 H new ATOM 0 HA TYR A 57 -9.449 5.469 0.910 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.254 7.393 2.928 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -7.365 5.972 2.416 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -8.156 9.368 1.634 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -6.991 5.678 -0.145 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -7.337 10.575 -0.339 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.172 6.886 -2.120 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.888 8.846 -3.098 1.00 0.00 H new ATOM 528 N PRO A 58 -9.061 3.644 2.650 1.00 0.00 N ATOM 529 CA PRO A 58 -9.106 2.503 3.569 1.00 0.00 C ATOM 530 C PRO A 58 -8.162 2.675 4.757 1.00 0.00 C ATOM 531 O PRO A 58 -7.104 3.293 4.638 1.00 0.00 O ATOM 532 CB PRO A 58 -8.647 1.334 2.697 1.00 0.00 C ATOM 533 CG PRO A 58 -7.783 1.955 1.658 1.00 0.00 C ATOM 534 CD PRO A 58 -8.375 3.308 1.387 1.00 0.00 C ATOM 0 HA PRO A 58 -10.096 2.371 4.006 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.096 0.597 3.281 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.496 0.817 2.249 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -6.754 2.041 2.006 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.763 1.349 0.753 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -7.606 4.040 1.141 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.070 3.281 0.548 1.00 0.00 H new ATOM 542 N THR A 59 -8.553 2.118 5.896 1.00 0.00 N ATOM 543 CA THR A 59 -7.751 2.195 7.108 1.00 0.00 C ATOM 544 C THR A 59 -6.623 1.169 7.083 1.00 0.00 C ATOM 545 O THR A 59 -6.517 0.394 6.134 1.00 0.00 O ATOM 546 CB THR A 59 -8.612 1.965 8.359 1.00 0.00 C ATOM 547 OG1 THR A 59 -9.358 0.750 8.209 1.00 0.00 O ATOM 548 CG2 THR A 59 -9.562 3.130 8.590 1.00 0.00 C ATOM 0 H THR A 59 -9.428 1.604 6.005 1.00 0.00 H new ATOM 0 HA THR A 59 -7.325 3.198 7.148 1.00 0.00 H new ATOM 0 HB THR A 59 -7.953 1.888 9.224 1.00 0.00 H new ATOM 0 HG1 THR A 59 -10.170 0.927 7.690 1.00 0.00 H new ATOM 0 HG21 THR A 59 -10.159 2.941 9.482 1.00 0.00 H new ATOM 0 HG22 THR A 59 -8.988 4.046 8.725 1.00 0.00 H new ATOM 0 HG23 THR A 59 -10.221 3.239 7.728 1.00 0.00 H new ATOM 556 N THR A 60 -5.792 1.166 8.118 1.00 0.00 N ATOM 557 CA THR A 60 -4.648 0.261 8.196 1.00 0.00 C ATOM 558 C THR A 60 -5.053 -1.198 7.935 1.00 0.00 C ATOM 559 O THR A 60 -4.326 -1.948 7.280 1.00 0.00 O ATOM 560 CB THR A 60 -3.943 0.382 9.571 1.00 0.00 C ATOM 561 OG1 THR A 60 -2.830 -0.516 9.644 1.00 0.00 O ATOM 562 CG2 THR A 60 -4.903 0.105 10.720 1.00 0.00 C ATOM 0 H THR A 60 -5.889 1.785 8.923 1.00 0.00 H new ATOM 0 HA THR A 60 -3.950 0.558 7.413 1.00 0.00 H new ATOM 0 HB THR A 60 -3.587 1.408 9.665 1.00 0.00 H new ATOM 0 HG1 THR A 60 -2.146 -0.242 8.998 1.00 0.00 H new ATOM 0 HG21 THR A 60 -4.373 0.199 11.668 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.723 0.822 10.690 1.00 0.00 H new ATOM 0 HG23 THR A 60 -5.301 -0.905 10.626 1.00 0.00 H new ATOM 570 N GLU A 61 -6.228 -1.579 8.420 1.00 0.00 N ATOM 571 CA GLU A 61 -6.732 -2.928 8.227 1.00 0.00 C ATOM 572 C GLU A 61 -7.273 -3.105 6.808 1.00 0.00 C ATOM 573 O GLU A 61 -6.974 -4.086 6.130 1.00 0.00 O ATOM 574 CB GLU A 61 -7.838 -3.211 9.249 1.00 0.00 C ATOM 575 CG GLU A 61 -8.332 -4.646 9.245 1.00 0.00 C ATOM 576 CD GLU A 61 -7.254 -5.631 9.640 1.00 0.00 C ATOM 577 OE1 GLU A 61 -6.810 -6.418 8.780 1.00 0.00 O ATOM 578 OE2 GLU A 61 -6.836 -5.618 10.817 1.00 0.00 O ATOM 0 H GLU A 61 -6.850 -0.969 8.951 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.914 -3.633 8.371 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.468 -2.968 10.245 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.680 -2.548 9.051 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.174 -4.739 9.931 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.702 -4.897 8.251 1.00 0.00 H new ATOM 585 N GLN A 62 -8.054 -2.128 6.362 1.00 0.00 N ATOM 586 CA GLN A 62 -8.747 -2.217 5.081 1.00 0.00 C ATOM 587 C GLN A 62 -7.797 -2.057 3.893 1.00 0.00 C ATOM 588 O GLN A 62 -8.062 -2.584 2.816 1.00 0.00 O ATOM 589 CB GLN A 62 -9.843 -1.151 5.000 1.00 0.00 C ATOM 590 CG GLN A 62 -10.852 -1.216 6.136 1.00 0.00 C ATOM 591 CD GLN A 62 -11.896 -0.118 6.047 1.00 0.00 C ATOM 592 OE1 GLN A 62 -11.697 0.984 6.558 1.00 0.00 O ATOM 593 NE2 GLN A 62 -13.019 -0.412 5.413 1.00 0.00 N ATOM 0 H GLN A 62 -8.224 -1.261 6.871 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.186 -3.213 5.025 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.378 -0.165 4.997 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.371 -1.258 4.052 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.348 -2.187 6.123 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -10.328 -1.139 7.089 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -13.146 -1.337 5.003 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -13.758 0.286 5.334 1.00 0.00 H new ATOM 602 N GLY A 63 -6.701 -1.331 4.094 1.00 0.00 N ATOM 603 CA GLY A 63 -5.842 -0.943 2.985 1.00 0.00 C ATOM 604 C GLY A 63 -5.234 -2.112 2.233 1.00 0.00 C ATOM 605 O GLY A 63 -5.350 -2.185 1.011 1.00 0.00 O ATOM 0 H GLY A 63 -6.390 -1.003 5.008 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.420 -0.337 2.287 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.038 -0.312 3.365 1.00 0.00 H new ATOM 609 N LEU A 64 -4.598 -3.031 2.945 1.00 0.00 N ATOM 610 CA LEU A 64 -4.011 -4.203 2.299 1.00 0.00 C ATOM 611 C LEU A 64 -5.086 -5.176 1.834 1.00 0.00 C ATOM 612 O LEU A 64 -4.931 -5.851 0.818 1.00 0.00 O ATOM 613 CB LEU A 64 -3.019 -4.916 3.223 1.00 0.00 C ATOM 614 CG LEU A 64 -1.550 -4.528 3.022 1.00 0.00 C ATOM 615 CD1 LEU A 64 -1.289 -3.102 3.482 1.00 0.00 C ATOM 616 CD2 LEU A 64 -0.638 -5.501 3.749 1.00 0.00 C ATOM 0 H LEU A 64 -4.474 -2.993 3.957 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.467 -3.846 1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.295 -4.708 4.257 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.118 -5.992 3.076 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.332 -4.579 1.955 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.239 -2.856 3.327 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.911 -2.415 2.908 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.530 -3.011 4.541 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.401 -5.210 3.595 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.865 -5.485 4.815 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.795 -6.507 3.359 1.00 0.00 H new ATOM 628 N GLN A 65 -6.177 -5.241 2.579 1.00 0.00 N ATOM 629 CA GLN A 65 -7.246 -6.183 2.276 1.00 0.00 C ATOM 630 C GLN A 65 -8.032 -5.768 1.040 1.00 0.00 C ATOM 631 O GLN A 65 -8.618 -6.610 0.369 1.00 0.00 O ATOM 632 CB GLN A 65 -8.188 -6.342 3.468 1.00 0.00 C ATOM 633 CG GLN A 65 -7.527 -6.984 4.677 1.00 0.00 C ATOM 634 CD GLN A 65 -6.699 -8.198 4.302 1.00 0.00 C ATOM 635 OE1 GLN A 65 -5.501 -8.089 4.054 1.00 0.00 O ATOM 636 NE2 GLN A 65 -7.332 -9.355 4.237 1.00 0.00 N ATOM 0 H GLN A 65 -6.347 -4.655 3.396 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.776 -7.144 2.068 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.573 -5.362 3.751 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -9.044 -6.946 3.167 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.890 -6.251 5.172 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.293 -7.277 5.395 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.328 -9.404 4.451 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.825 -10.200 3.973 1.00 0.00 H new ATOM 645 N ALA A 66 -8.013 -4.480 0.724 1.00 0.00 N ATOM 646 CA ALA A 66 -8.811 -3.943 -0.376 1.00 0.00 C ATOM 647 C ALA A 66 -8.454 -4.584 -1.717 1.00 0.00 C ATOM 648 O ALA A 66 -9.277 -4.622 -2.632 1.00 0.00 O ATOM 649 CB ALA A 66 -8.647 -2.433 -0.452 1.00 0.00 C ATOM 0 H ALA A 66 -7.452 -3.783 1.215 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.854 -4.185 -0.171 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.246 -2.043 -1.275 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.980 -1.983 0.484 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.598 -2.189 -0.619 1.00 0.00 H new ATOM 655 N LEU A 67 -7.234 -5.094 -1.834 1.00 0.00 N ATOM 656 CA LEU A 67 -6.808 -5.749 -3.064 1.00 0.00 C ATOM 657 C LEU A 67 -6.798 -7.264 -2.919 1.00 0.00 C ATOM 658 O LEU A 67 -6.497 -7.978 -3.871 1.00 0.00 O ATOM 659 CB LEU A 67 -5.437 -5.256 -3.558 1.00 0.00 C ATOM 660 CG LEU A 67 -4.296 -5.155 -2.537 1.00 0.00 C ATOM 661 CD1 LEU A 67 -2.966 -5.068 -3.270 1.00 0.00 C ATOM 662 CD2 LEU A 67 -4.455 -3.930 -1.648 1.00 0.00 C ATOM 0 H LEU A 67 -6.528 -5.067 -1.099 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.546 -5.474 -3.818 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.111 -5.921 -4.358 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.577 -4.270 -4.001 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.325 -6.045 -1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.155 -4.996 -2.545 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.828 -5.960 -3.881 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.960 -4.185 -3.910 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.631 -3.888 -0.936 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.449 -3.030 -2.264 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.399 -3.993 -1.107 1.00 0.00 H new ATOM 674 N VAL A 68 -7.122 -7.746 -1.733 1.00 0.00 N ATOM 675 CA VAL A 68 -7.126 -9.176 -1.460 1.00 0.00 C ATOM 676 C VAL A 68 -8.558 -9.697 -1.320 1.00 0.00 C ATOM 677 O VAL A 68 -9.025 -10.517 -2.114 1.00 0.00 O ATOM 678 CB VAL A 68 -6.349 -9.485 -0.164 1.00 0.00 C ATOM 679 CG1 VAL A 68 -6.405 -10.969 0.170 1.00 0.00 C ATOM 680 CG2 VAL A 68 -4.907 -9.021 -0.262 1.00 0.00 C ATOM 0 H VAL A 68 -7.388 -7.166 -0.937 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.642 -9.674 -2.300 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.831 -8.933 0.643 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.849 -11.156 1.088 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.443 -11.272 0.306 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.963 -11.542 -0.645 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.386 -9.253 0.667 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.416 -9.531 -1.091 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.882 -7.945 -0.433 1.00 0.00 H new ATOM 690 N SER A 69 -9.254 -9.194 -0.313 1.00 0.00 N ATOM 691 CA SER A 69 -10.602 -9.630 0.005 1.00 0.00 C ATOM 692 C SER A 69 -11.338 -8.486 0.684 1.00 0.00 C ATOM 693 O SER A 69 -10.762 -7.794 1.522 1.00 0.00 O ATOM 694 CB SER A 69 -10.553 -10.860 0.920 1.00 0.00 C ATOM 695 OG SER A 69 -11.856 -11.306 1.270 1.00 0.00 O ATOM 0 H SER A 69 -8.897 -8.469 0.309 1.00 0.00 H new ATOM 0 HA SER A 69 -11.129 -9.908 -0.908 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.015 -11.665 0.419 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.996 -10.619 1.825 1.00 0.00 H new ATOM 0 HG SER A 69 -11.788 -12.092 1.852 1.00 0.00 H new ATOM 701 N ALA A 70 -12.602 -8.287 0.313 1.00 0.00 N ATOM 702 CA ALA A 70 -13.373 -7.153 0.808 1.00 0.00 C ATOM 703 C ALA A 70 -13.373 -7.111 2.330 1.00 0.00 C ATOM 704 O ALA A 70 -13.815 -8.055 2.985 1.00 0.00 O ATOM 705 CB ALA A 70 -14.798 -7.221 0.286 1.00 0.00 C ATOM 0 H ALA A 70 -13.111 -8.896 -0.327 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.903 -6.239 0.444 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -15.364 -6.369 0.662 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -14.788 -7.197 -0.804 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -15.266 -8.146 0.624 1.00 0.00 H new ATOM 711 N PRO A 71 -12.865 -6.009 2.905 1.00 0.00 N ATOM 712 CA PRO A 71 -12.807 -5.820 4.355 1.00 0.00 C ATOM 713 C PRO A 71 -14.180 -5.903 5.012 1.00 0.00 C ATOM 714 O PRO A 71 -15.180 -5.433 4.458 1.00 0.00 O ATOM 715 CB PRO A 71 -12.237 -4.407 4.513 1.00 0.00 C ATOM 716 CG PRO A 71 -11.504 -4.148 3.246 1.00 0.00 C ATOM 717 CD PRO A 71 -12.270 -4.873 2.179 1.00 0.00 C ATOM 0 HA PRO A 71 -12.210 -6.596 4.835 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -13.030 -3.676 4.667 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -11.572 -4.343 5.375 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.453 -3.080 3.034 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -10.478 -4.510 3.306 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -13.033 -4.238 1.729 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -11.618 -5.208 1.372 1.00 0.00 H new ATOM 725 N SER A 72 -14.221 -6.505 6.190 1.00 0.00 N ATOM 726 CA SER A 72 -15.449 -6.590 6.961 1.00 0.00 C ATOM 727 C SER A 72 -15.609 -5.339 7.820 1.00 0.00 C ATOM 728 O SER A 72 -16.655 -5.116 8.433 1.00 0.00 O ATOM 729 CB SER A 72 -15.435 -7.845 7.833 1.00 0.00 C ATOM 730 OG SER A 72 -15.124 -8.994 7.057 1.00 0.00 O ATOM 0 H SER A 72 -13.414 -6.943 6.634 1.00 0.00 H new ATOM 0 HA SER A 72 -16.297 -6.655 6.279 1.00 0.00 H new ATOM 0 HB2 SER A 72 -14.702 -7.730 8.632 1.00 0.00 H new ATOM 0 HB3 SER A 72 -16.407 -7.974 8.309 1.00 0.00 H new ATOM 0 HG SER A 72 -15.118 -9.786 7.634 1.00 0.00 H new ATOM 736 N ALA A 73 -14.554 -4.531 7.858 1.00 0.00 N ATOM 737 CA ALA A 73 -14.590 -3.251 8.545 1.00 0.00 C ATOM 738 C ALA A 73 -15.476 -2.276 7.786 1.00 0.00 C ATOM 739 O ALA A 73 -15.466 -2.246 6.557 1.00 0.00 O ATOM 740 CB ALA A 73 -13.184 -2.687 8.694 1.00 0.00 C ATOM 0 H ALA A 73 -13.660 -4.745 7.417 1.00 0.00 H new ATOM 0 HA ALA A 73 -15.007 -3.400 9.541 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.229 -1.728 9.211 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.573 -3.381 9.271 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.742 -2.547 7.708 1.00 0.00 H new ATOM 746 N GLU A 74 -16.240 -1.490 8.528 1.00 0.00 N ATOM 747 CA GLU A 74 -17.203 -0.566 7.946 1.00 0.00 C ATOM 748 C GLU A 74 -16.506 0.668 7.370 1.00 0.00 C ATOM 749 O GLU A 74 -15.594 1.220 7.990 1.00 0.00 O ATOM 750 CB GLU A 74 -18.210 -0.142 9.019 1.00 0.00 C ATOM 751 CG GLU A 74 -19.255 0.847 8.533 1.00 0.00 C ATOM 752 CD GLU A 74 -20.089 1.397 9.665 1.00 0.00 C ATOM 753 OE1 GLU A 74 -19.704 2.434 10.244 1.00 0.00 O ATOM 754 OE2 GLU A 74 -21.135 0.800 9.986 1.00 0.00 O ATOM 0 H GLU A 74 -16.211 -1.474 9.547 1.00 0.00 H new ATOM 0 HA GLU A 74 -17.720 -1.072 7.131 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -18.715 -1.030 9.399 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -17.669 0.300 9.856 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -18.762 1.669 8.015 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -19.906 0.358 7.808 1.00 0.00 H new ATOM 761 N PRO A 75 -16.929 1.125 6.179 1.00 0.00 N ATOM 762 CA PRO A 75 -17.946 0.453 5.363 1.00 0.00 C ATOM 763 C PRO A 75 -17.379 -0.727 4.574 1.00 0.00 C ATOM 764 O PRO A 75 -16.204 -0.734 4.192 1.00 0.00 O ATOM 765 CB PRO A 75 -18.424 1.548 4.398 1.00 0.00 C ATOM 766 CG PRO A 75 -17.706 2.799 4.798 1.00 0.00 C ATOM 767 CD PRO A 75 -16.479 2.361 5.536 1.00 0.00 C ATOM 0 HA PRO A 75 -18.739 0.033 5.982 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -18.198 1.283 3.365 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -19.504 1.681 4.464 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -17.442 3.393 3.923 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -18.337 3.425 5.429 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -15.639 2.187 4.863 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -16.155 3.104 6.265 1.00 0.00 H new ATOM 775 N HIS A 76 -18.227 -1.721 4.334 1.00 0.00 N ATOM 776 CA HIS A 76 -17.844 -2.900 3.567 1.00 0.00 C ATOM 777 C HIS A 76 -17.537 -2.521 2.121 1.00 0.00 C ATOM 778 O HIS A 76 -18.337 -1.856 1.462 1.00 0.00 O ATOM 779 CB HIS A 76 -18.963 -3.946 3.617 1.00 0.00 C ATOM 780 CG HIS A 76 -18.692 -5.181 2.809 1.00 0.00 C ATOM 781 ND1 HIS A 76 -17.845 -6.186 3.223 1.00 0.00 N ATOM 782 CD2 HIS A 76 -19.175 -5.574 1.606 1.00 0.00 C ATOM 783 CE1 HIS A 76 -17.821 -7.141 2.311 1.00 0.00 C ATOM 784 NE2 HIS A 76 -18.620 -6.794 1.319 1.00 0.00 N ATOM 0 H HIS A 76 -19.192 -1.733 4.663 1.00 0.00 H new ATOM 0 HA HIS A 76 -16.943 -3.326 4.009 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -19.128 -4.234 4.655 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -19.887 -3.489 3.262 1.00 0.00 H new ATOM 0 HD1 HIS A 76 -17.319 -6.192 4.097 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -19.870 -5.026 0.987 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -17.245 -8.053 2.367 1.00 0.00 H new ATOM 793 N ALA A 77 -16.375 -2.952 1.643 1.00 0.00 N ATOM 794 CA ALA A 77 -15.938 -2.649 0.285 1.00 0.00 C ATOM 795 C ALA A 77 -16.870 -3.267 -0.749 1.00 0.00 C ATOM 796 O ALA A 77 -17.179 -4.459 -0.691 1.00 0.00 O ATOM 797 CB ALA A 77 -14.516 -3.139 0.069 1.00 0.00 C ATOM 0 H ALA A 77 -15.715 -3.516 2.179 1.00 0.00 H new ATOM 0 HA ALA A 77 -15.966 -1.567 0.158 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -14.202 -2.907 -0.949 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.850 -2.645 0.776 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -14.475 -4.217 0.224 1.00 0.00 H new ATOM 803 N ARG A 78 -17.317 -2.446 -1.684 1.00 0.00 N ATOM 804 CA ARG A 78 -18.194 -2.890 -2.753 1.00 0.00 C ATOM 805 C ARG A 78 -17.457 -2.842 -4.082 1.00 0.00 C ATOM 806 O ARG A 78 -16.384 -2.246 -4.178 1.00 0.00 O ATOM 807 CB ARG A 78 -19.444 -2.012 -2.829 1.00 0.00 C ATOM 808 CG ARG A 78 -20.228 -1.938 -1.532 1.00 0.00 C ATOM 809 CD ARG A 78 -20.788 -3.292 -1.136 1.00 0.00 C ATOM 810 NE ARG A 78 -21.518 -3.220 0.124 1.00 0.00 N ATOM 811 CZ ARG A 78 -22.280 -4.195 0.611 1.00 0.00 C ATOM 812 NH1 ARG A 78 -22.403 -5.344 -0.044 1.00 0.00 N ATOM 813 NH2 ARG A 78 -22.909 -4.021 1.765 1.00 0.00 N ATOM 0 H ARG A 78 -17.082 -1.454 -1.723 1.00 0.00 H new ATOM 0 HA ARG A 78 -18.499 -3.915 -2.542 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.150 -1.004 -3.121 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -20.096 -2.394 -3.614 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -19.582 -1.565 -0.737 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -21.045 -1.224 -1.641 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -21.450 -3.657 -1.921 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -19.974 -4.011 -1.046 1.00 0.00 H new ATOM 0 HE ARG A 78 -21.439 -2.362 0.670 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -21.911 -5.483 -0.927 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -22.989 -6.087 0.336 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -22.807 -3.143 2.274 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -23.495 -4.765 2.144 1.00 0.00 H new ATOM 827 N ASN A 79 -18.021 -3.499 -5.089 1.00 0.00 N ATOM 828 CA ASN A 79 -17.465 -3.481 -6.442 1.00 0.00 C ATOM 829 C ASN A 79 -16.068 -4.086 -6.458 1.00 0.00 C ATOM 830 O ASN A 79 -15.197 -3.654 -7.214 1.00 0.00 O ATOM 831 CB ASN A 79 -17.413 -2.049 -7.008 1.00 0.00 C ATOM 832 CG ASN A 79 -18.772 -1.377 -7.071 1.00 0.00 C ATOM 833 OD1 ASN A 79 -19.523 -1.559 -8.029 1.00 0.00 O ATOM 834 ND2 ASN A 79 -19.090 -0.574 -6.065 1.00 0.00 N ATOM 0 H ASN A 79 -18.870 -4.056 -4.995 1.00 0.00 H new ATOM 0 HA ASN A 79 -18.123 -4.080 -7.072 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -16.746 -1.446 -6.391 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -16.983 -2.077 -8.009 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -19.983 -0.082 -6.068 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -18.441 -0.448 -5.288 1.00 0.00 H new ATOM 841 N TYR A 80 -15.852 -5.090 -5.625 1.00 0.00 N ATOM 842 CA TYR A 80 -14.538 -5.694 -5.507 1.00 0.00 C ATOM 843 C TYR A 80 -14.428 -6.918 -6.412 1.00 0.00 C ATOM 844 O TYR A 80 -15.361 -7.720 -6.508 1.00 0.00 O ATOM 845 CB TYR A 80 -14.233 -6.065 -4.047 1.00 0.00 C ATOM 846 CG TYR A 80 -15.078 -7.189 -3.483 1.00 0.00 C ATOM 847 CD1 TYR A 80 -14.598 -8.493 -3.454 1.00 0.00 C ATOM 848 CD2 TYR A 80 -16.346 -6.945 -2.970 1.00 0.00 C ATOM 849 CE1 TYR A 80 -15.356 -9.521 -2.929 1.00 0.00 C ATOM 850 CE2 TYR A 80 -17.110 -7.970 -2.445 1.00 0.00 C ATOM 851 CZ TYR A 80 -16.611 -9.255 -2.427 1.00 0.00 C ATOM 852 OH TYR A 80 -17.366 -10.278 -1.895 1.00 0.00 O ATOM 0 H TYR A 80 -16.566 -5.501 -5.024 1.00 0.00 H new ATOM 0 HA TYR A 80 -13.797 -4.962 -5.829 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -13.183 -6.347 -3.971 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -14.371 -5.180 -3.426 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -13.616 -8.706 -3.849 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -16.740 -5.940 -2.982 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -14.967 -10.528 -2.912 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -18.094 -7.765 -2.050 1.00 0.00 H new ATOM 0 HH TYR A 80 -18.225 -9.923 -1.584 1.00 0.00 H new ATOM 862 N PRO A 81 -13.294 -7.054 -7.113 1.00 0.00 N ATOM 863 CA PRO A 81 -13.040 -8.198 -7.988 1.00 0.00 C ATOM 864 C PRO A 81 -12.855 -9.487 -7.194 1.00 0.00 C ATOM 865 O PRO A 81 -12.289 -9.474 -6.096 1.00 0.00 O ATOM 866 CB PRO A 81 -11.742 -7.819 -8.711 1.00 0.00 C ATOM 867 CG PRO A 81 -11.073 -6.830 -7.819 1.00 0.00 C ATOM 868 CD PRO A 81 -12.172 -6.096 -7.105 1.00 0.00 C ATOM 0 HA PRO A 81 -13.872 -8.391 -8.666 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -11.111 -8.693 -8.873 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.948 -7.389 -9.691 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.414 -7.330 -7.109 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -10.456 -6.141 -8.396 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -11.881 -5.829 -6.089 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.433 -5.169 -7.616 1.00 0.00 H new ATOM 876 N GLU A 82 -13.346 -10.592 -7.743 1.00 0.00 N ATOM 877 CA GLU A 82 -13.220 -11.888 -7.095 1.00 0.00 C ATOM 878 C GLU A 82 -11.749 -12.262 -6.975 1.00 0.00 C ATOM 879 O GLU A 82 -11.021 -12.277 -7.969 1.00 0.00 O ATOM 880 CB GLU A 82 -13.964 -12.982 -7.873 1.00 0.00 C ATOM 881 CG GLU A 82 -15.410 -12.646 -8.213 1.00 0.00 C ATOM 882 CD GLU A 82 -15.537 -11.828 -9.482 1.00 0.00 C ATOM 883 OE1 GLU A 82 -15.660 -10.589 -9.395 1.00 0.00 O ATOM 884 OE2 GLU A 82 -15.505 -12.421 -10.579 1.00 0.00 O ATOM 0 H GLU A 82 -13.836 -10.614 -8.637 1.00 0.00 H new ATOM 0 HA GLU A 82 -13.668 -11.812 -6.104 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -13.424 -13.182 -8.798 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -13.946 -13.902 -7.288 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -15.977 -13.570 -8.323 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -15.855 -12.095 -7.384 1.00 0.00 H new ATOM 891 N GLY A 83 -11.313 -12.540 -5.757 1.00 0.00 N ATOM 892 CA GLY A 83 -9.920 -12.856 -5.521 1.00 0.00 C ATOM 893 C GLY A 83 -9.069 -11.605 -5.409 1.00 0.00 C ATOM 894 O GLY A 83 -7.865 -11.683 -5.176 1.00 0.00 O ATOM 0 H GLY A 83 -11.901 -12.553 -4.924 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.830 -13.440 -4.605 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -9.546 -13.478 -6.334 1.00 0.00 H new ATOM 898 N GLY A 84 -9.705 -10.451 -5.586 1.00 0.00 N ATOM 899 CA GLY A 84 -9.007 -9.186 -5.501 1.00 0.00 C ATOM 900 C GLY A 84 -8.092 -8.960 -6.683 1.00 0.00 C ATOM 901 O GLY A 84 -8.280 -9.550 -7.749 1.00 0.00 O ATOM 0 H GLY A 84 -10.702 -10.372 -5.789 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.733 -8.375 -5.445 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.424 -9.156 -4.581 1.00 0.00 H new ATOM 905 N TYR A 85 -7.105 -8.102 -6.501 1.00 0.00 N ATOM 906 CA TYR A 85 -6.091 -7.878 -7.517 1.00 0.00 C ATOM 907 C TYR A 85 -4.918 -8.810 -7.255 1.00 0.00 C ATOM 908 O TYR A 85 -4.146 -9.139 -8.153 1.00 0.00 O ATOM 909 CB TYR A 85 -5.626 -6.420 -7.509 1.00 0.00 C ATOM 910 CG TYR A 85 -6.729 -5.424 -7.801 1.00 0.00 C ATOM 911 CD1 TYR A 85 -7.216 -5.256 -9.092 1.00 0.00 C ATOM 912 CD2 TYR A 85 -7.275 -4.648 -6.788 1.00 0.00 C ATOM 913 CE1 TYR A 85 -8.218 -4.343 -9.362 1.00 0.00 C ATOM 914 CE2 TYR A 85 -8.277 -3.734 -7.050 1.00 0.00 C ATOM 915 CZ TYR A 85 -8.744 -3.585 -8.339 1.00 0.00 C ATOM 916 OH TYR A 85 -9.740 -2.674 -8.603 1.00 0.00 O ATOM 0 H TYR A 85 -6.983 -7.546 -5.655 1.00 0.00 H new ATOM 0 HA TYR A 85 -6.514 -8.086 -8.500 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -5.192 -6.192 -6.535 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -4.834 -6.297 -8.247 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -6.805 -5.848 -9.896 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.910 -4.761 -5.778 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -8.587 -4.224 -10.370 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -8.692 -3.139 -6.250 1.00 0.00 H new ATOM 0 HH TYR A 85 -10.315 -2.580 -7.815 1.00 0.00 H new ATOM 926 N ILE A 86 -4.803 -9.232 -6.005 1.00 0.00 N ATOM 927 CA ILE A 86 -3.809 -10.207 -5.605 1.00 0.00 C ATOM 928 C ILE A 86 -4.464 -11.214 -4.662 1.00 0.00 C ATOM 929 O ILE A 86 -5.125 -10.839 -3.694 1.00 0.00 O ATOM 930 CB ILE A 86 -2.579 -9.529 -4.945 1.00 0.00 C ATOM 931 CG1 ILE A 86 -1.514 -10.570 -4.593 1.00 0.00 C ATOM 932 CG2 ILE A 86 -2.986 -8.732 -3.713 1.00 0.00 C ATOM 933 CD1 ILE A 86 -0.230 -9.974 -4.057 1.00 0.00 C ATOM 0 H ILE A 86 -5.397 -8.906 -5.243 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.437 -10.726 -6.488 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.152 -8.832 -5.666 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.922 -11.257 -3.851 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.287 -11.159 -5.482 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.104 -8.268 -3.272 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.698 -7.958 -3.999 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.448 -9.399 -2.985 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.475 -10.773 -3.830 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.203 -9.309 -4.805 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.442 -9.409 -3.149 1.00 0.00 H new ATOM 945 N ARG A 87 -4.304 -12.495 -4.973 1.00 0.00 N ATOM 946 CA ARG A 87 -5.054 -13.551 -4.298 1.00 0.00 C ATOM 947 C ARG A 87 -4.636 -13.707 -2.837 1.00 0.00 C ATOM 948 O ARG A 87 -5.409 -14.195 -2.010 1.00 0.00 O ATOM 949 CB ARG A 87 -4.881 -14.875 -5.043 1.00 0.00 C ATOM 950 CG ARG A 87 -5.797 -15.974 -4.538 1.00 0.00 C ATOM 951 CD ARG A 87 -5.668 -17.235 -5.373 1.00 0.00 C ATOM 952 NE ARG A 87 -6.630 -18.254 -4.963 1.00 0.00 N ATOM 953 CZ ARG A 87 -7.186 -19.134 -5.795 1.00 0.00 C ATOM 954 NH1 ARG A 87 -6.856 -19.146 -7.079 1.00 0.00 N ATOM 955 NH2 ARG A 87 -8.075 -20.004 -5.337 1.00 0.00 N ATOM 0 H ARG A 87 -3.660 -12.830 -5.690 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.106 -13.265 -4.306 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.070 -14.714 -6.104 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.846 -15.203 -4.950 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.558 -16.199 -3.499 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.830 -15.626 -4.560 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.821 -16.992 -6.425 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -4.657 -17.631 -5.281 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.893 -18.295 -3.978 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -6.172 -18.479 -7.436 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -7.286 -19.823 -7.710 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.332 -19.999 -4.350 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -8.502 -20.679 -5.972 1.00 0.00 H new ATOM 969 N ARG A 88 -3.418 -13.299 -2.521 1.00 0.00 N ATOM 970 CA ARG A 88 -2.926 -13.377 -1.154 1.00 0.00 C ATOM 971 C ARG A 88 -2.317 -12.048 -0.738 1.00 0.00 C ATOM 972 O ARG A 88 -2.158 -11.150 -1.563 1.00 0.00 O ATOM 973 CB ARG A 88 -1.891 -14.494 -1.001 1.00 0.00 C ATOM 974 CG ARG A 88 -2.449 -15.892 -1.221 1.00 0.00 C ATOM 975 CD ARG A 88 -1.441 -16.956 -0.819 1.00 0.00 C ATOM 976 NE ARG A 88 -1.096 -16.865 0.600 1.00 0.00 N ATOM 977 CZ ARG A 88 0.099 -17.173 1.103 1.00 0.00 C ATOM 978 NH1 ARG A 88 1.061 -17.628 0.309 1.00 0.00 N ATOM 979 NH2 ARG A 88 0.327 -17.029 2.402 1.00 0.00 N ATOM 0 H ARG A 88 -2.753 -12.911 -3.190 1.00 0.00 H new ATOM 0 HA ARG A 88 -3.772 -13.604 -0.506 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -1.080 -14.323 -1.709 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.459 -14.440 -0.002 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.364 -16.017 -0.641 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.717 -16.019 -2.270 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -1.850 -17.944 -1.032 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -0.539 -16.848 -1.421 1.00 0.00 H new ATOM 0 HE ARG A 88 -1.817 -16.545 1.246 1.00 0.00 H new ATOM 0 HH11 ARG A 88 0.887 -17.743 -0.689 1.00 0.00 H new ATOM 0 HH12 ARG A 88 1.974 -17.863 0.697 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.412 -16.683 3.014 1.00 0.00 H new ATOM 0 HH22 ARG A 88 1.241 -17.264 2.789 1.00 0.00 H new ATOM 993 N LEU A 89 -1.984 -11.926 0.539 1.00 0.00 N ATOM 994 CA LEU A 89 -1.380 -10.706 1.062 1.00 0.00 C ATOM 995 C LEU A 89 -0.074 -10.393 0.346 1.00 0.00 C ATOM 996 O LEU A 89 0.783 -11.267 0.197 1.00 0.00 O ATOM 997 CB LEU A 89 -1.110 -10.832 2.567 1.00 0.00 C ATOM 998 CG LEU A 89 -2.278 -10.470 3.492 1.00 0.00 C ATOM 999 CD1 LEU A 89 -2.593 -8.989 3.382 1.00 0.00 C ATOM 1000 CD2 LEU A 89 -3.512 -11.305 3.179 1.00 0.00 C ATOM 0 H LEU A 89 -2.122 -12.659 1.235 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.086 -9.894 0.889 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.810 -11.859 2.778 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.262 -10.195 2.819 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.980 -10.692 4.517 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.424 -8.744 4.043 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.717 -8.408 3.670 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.865 -8.750 2.354 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.322 -11.024 3.852 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.819 -11.128 2.148 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.280 -12.362 3.312 1.00 0.00 H new ATOM 1012 N PRO A 90 0.083 -9.152 -0.130 1.00 0.00 N ATOM 1013 CA PRO A 90 1.348 -8.693 -0.694 1.00 0.00 C ATOM 1014 C PRO A 90 2.406 -8.594 0.395 1.00 0.00 C ATOM 1015 O PRO A 90 2.181 -7.967 1.432 1.00 0.00 O ATOM 1016 CB PRO A 90 1.014 -7.311 -1.265 1.00 0.00 C ATOM 1017 CG PRO A 90 -0.189 -6.861 -0.510 1.00 0.00 C ATOM 1018 CD PRO A 90 -0.955 -8.106 -0.156 1.00 0.00 C ATOM 0 HA PRO A 90 1.751 -9.368 -1.449 1.00 0.00 H new ATOM 0 HB2 PRO A 90 1.845 -6.618 -1.132 1.00 0.00 H new ATOM 0 HB3 PRO A 90 0.811 -7.365 -2.335 1.00 0.00 H new ATOM 0 HG2 PRO A 90 0.098 -6.313 0.387 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -0.798 -6.188 -1.114 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -1.453 -8.010 0.809 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -1.728 -8.325 -0.893 1.00 0.00 H new ATOM 1026 N GLN A 91 3.544 -9.230 0.178 1.00 0.00 N ATOM 1027 CA GLN A 91 4.582 -9.282 1.193 1.00 0.00 C ATOM 1028 C GLN A 91 5.941 -8.948 0.597 1.00 0.00 C ATOM 1029 O GLN A 91 6.213 -9.265 -0.565 1.00 0.00 O ATOM 1030 CB GLN A 91 4.621 -10.673 1.832 1.00 0.00 C ATOM 1031 CG GLN A 91 3.317 -11.076 2.503 1.00 0.00 C ATOM 1032 CD GLN A 91 3.411 -12.416 3.200 1.00 0.00 C ATOM 1033 OE1 GLN A 91 3.148 -13.458 2.603 1.00 0.00 O ATOM 1034 NE2 GLN A 91 3.781 -12.397 4.469 1.00 0.00 N ATOM 0 H GLN A 91 3.773 -9.716 -0.689 1.00 0.00 H new ATOM 0 HA GLN A 91 4.350 -8.540 1.957 1.00 0.00 H new ATOM 0 HB2 GLN A 91 4.867 -11.408 1.066 1.00 0.00 H new ATOM 0 HB3 GLN A 91 5.423 -10.701 2.570 1.00 0.00 H new ATOM 0 HG2 GLN A 91 3.035 -10.313 3.228 1.00 0.00 H new ATOM 0 HG3 GLN A 91 2.525 -11.114 1.755 1.00 0.00 H new ATOM 0 HE21 GLN A 91 3.990 -11.509 4.926 1.00 0.00 H new ATOM 0 HE22 GLN A 91 3.857 -13.270 4.991 1.00 0.00 H new ATOM 1043 N ASP A 92 6.771 -8.284 1.396 1.00 0.00 N ATOM 1044 CA ASP A 92 8.146 -7.974 1.023 1.00 0.00 C ATOM 1045 C ASP A 92 8.872 -9.267 0.675 1.00 0.00 C ATOM 1046 O ASP A 92 8.647 -10.299 1.311 1.00 0.00 O ATOM 1047 CB ASP A 92 8.896 -7.301 2.185 1.00 0.00 C ATOM 1048 CG ASP A 92 8.185 -6.101 2.793 1.00 0.00 C ATOM 1049 OD1 ASP A 92 6.995 -6.220 3.147 1.00 0.00 O ATOM 1050 OD2 ASP A 92 8.841 -5.054 2.974 1.00 0.00 O ATOM 0 H ASP A 92 6.508 -7.946 2.322 1.00 0.00 H new ATOM 0 HA ASP A 92 8.123 -7.295 0.171 1.00 0.00 H new ATOM 0 HB2 ASP A 92 9.064 -8.041 2.968 1.00 0.00 H new ATOM 0 HB3 ASP A 92 9.877 -6.983 1.831 1.00 0.00 H new ATOM 1055 N PRO A 93 9.770 -9.222 -0.327 1.00 0.00 N ATOM 1056 CA PRO A 93 10.505 -10.403 -0.805 1.00 0.00 C ATOM 1057 C PRO A 93 11.275 -11.116 0.300 1.00 0.00 C ATOM 1058 O PRO A 93 11.541 -12.312 0.213 1.00 0.00 O ATOM 1059 CB PRO A 93 11.484 -9.830 -1.835 1.00 0.00 C ATOM 1060 CG PRO A 93 10.873 -8.544 -2.272 1.00 0.00 C ATOM 1061 CD PRO A 93 10.132 -8.008 -1.081 1.00 0.00 C ATOM 0 HA PRO A 93 9.823 -11.153 -1.205 1.00 0.00 H new ATOM 0 HB2 PRO A 93 12.469 -9.670 -1.397 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.616 -10.511 -2.676 1.00 0.00 H new ATOM 0 HG2 PRO A 93 11.638 -7.842 -2.603 1.00 0.00 H new ATOM 0 HG3 PRO A 93 10.198 -8.700 -3.113 1.00 0.00 H new ATOM 0 HD2 PRO A 93 10.755 -7.338 -0.488 1.00 0.00 H new ATOM 0 HD3 PRO A 93 9.249 -7.442 -1.379 1.00 0.00 H new ATOM 1069 N TRP A 94 11.632 -10.371 1.334 1.00 0.00 N ATOM 1070 CA TRP A 94 12.402 -10.910 2.446 1.00 0.00 C ATOM 1071 C TRP A 94 11.509 -11.642 3.448 1.00 0.00 C ATOM 1072 O TRP A 94 11.997 -12.245 4.402 1.00 0.00 O ATOM 1073 CB TRP A 94 13.177 -9.786 3.126 1.00 0.00 C ATOM 1074 CG TRP A 94 14.080 -9.064 2.174 1.00 0.00 C ATOM 1075 CD1 TRP A 94 15.349 -9.419 1.821 1.00 0.00 C ATOM 1076 CD2 TRP A 94 13.778 -7.871 1.442 1.00 0.00 C ATOM 1077 NE1 TRP A 94 15.854 -8.520 0.913 1.00 0.00 N ATOM 1078 CE2 TRP A 94 14.908 -7.562 0.664 1.00 0.00 C ATOM 1079 CE3 TRP A 94 12.661 -7.037 1.368 1.00 0.00 C ATOM 1080 CZ2 TRP A 94 14.951 -6.453 -0.176 1.00 0.00 C ATOM 1081 CZ3 TRP A 94 12.705 -5.937 0.535 1.00 0.00 C ATOM 1082 CH2 TRP A 94 13.842 -5.654 -0.228 1.00 0.00 C ATOM 0 H TRP A 94 11.399 -9.382 1.427 1.00 0.00 H new ATOM 0 HA TRP A 94 13.107 -11.642 2.053 1.00 0.00 H new ATOM 0 HB2 TRP A 94 12.475 -9.078 3.566 1.00 0.00 H new ATOM 0 HB3 TRP A 94 13.769 -10.198 3.943 1.00 0.00 H new ATOM 0 HD1 TRP A 94 15.879 -10.280 2.200 1.00 0.00 H new ATOM 0 HE1 TRP A 94 16.783 -8.560 0.493 1.00 0.00 H new ATOM 0 HE3 TRP A 94 11.778 -7.249 1.952 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 15.828 -6.231 -0.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 11.847 -5.284 0.472 1.00 0.00 H new ATOM 0 HH2 TRP A 94 13.845 -4.787 -0.872 1.00 0.00 H new ATOM 1093 N GLY A 95 10.201 -11.591 3.227 1.00 0.00 N ATOM 1094 CA GLY A 95 9.275 -12.292 4.097 1.00 0.00 C ATOM 1095 C GLY A 95 8.547 -11.367 5.052 1.00 0.00 C ATOM 1096 O GLY A 95 7.943 -11.819 6.025 1.00 0.00 O ATOM 0 H GLY A 95 9.765 -11.077 2.461 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.545 -12.825 3.488 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.820 -13.042 4.670 1.00 0.00 H new ATOM 1100 N SER A 96 8.600 -10.074 4.775 1.00 0.00 N ATOM 1101 CA SER A 96 7.938 -9.085 5.614 1.00 0.00 C ATOM 1102 C SER A 96 6.560 -8.741 5.053 1.00 0.00 C ATOM 1103 O SER A 96 6.245 -9.076 3.917 1.00 0.00 O ATOM 1104 CB SER A 96 8.797 -7.824 5.730 1.00 0.00 C ATOM 1105 OG SER A 96 10.085 -8.122 6.248 1.00 0.00 O ATOM 0 H SER A 96 9.096 -9.683 3.974 1.00 0.00 H new ATOM 0 HA SER A 96 7.808 -9.510 6.609 1.00 0.00 H new ATOM 0 HB2 SER A 96 8.896 -7.358 4.750 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.300 -7.102 6.378 1.00 0.00 H new ATOM 0 HG SER A 96 10.742 -7.503 5.867 1.00 0.00 H new ATOM 1111 N ASP A 97 5.734 -8.112 5.871 1.00 0.00 N ATOM 1112 CA ASP A 97 4.391 -7.710 5.468 1.00 0.00 C ATOM 1113 C ASP A 97 4.301 -6.187 5.385 1.00 0.00 C ATOM 1114 O ASP A 97 4.703 -5.495 6.323 1.00 0.00 O ATOM 1115 CB ASP A 97 3.389 -8.260 6.488 1.00 0.00 C ATOM 1116 CG ASP A 97 1.982 -7.730 6.316 1.00 0.00 C ATOM 1117 OD1 ASP A 97 1.556 -6.904 7.156 1.00 0.00 O ATOM 1118 OD2 ASP A 97 1.283 -8.163 5.378 1.00 0.00 O ATOM 0 H ASP A 97 5.971 -7.865 6.832 1.00 0.00 H new ATOM 0 HA ASP A 97 4.160 -8.112 4.482 1.00 0.00 H new ATOM 0 HB2 ASP A 97 3.369 -9.347 6.412 1.00 0.00 H new ATOM 0 HB3 ASP A 97 3.738 -8.017 7.492 1.00 0.00 H new ATOM 1123 N TYR A 98 3.798 -5.665 4.263 1.00 0.00 N ATOM 1124 CA TYR A 98 3.677 -4.216 4.085 1.00 0.00 C ATOM 1125 C TYR A 98 2.648 -3.649 5.046 1.00 0.00 C ATOM 1126 O TYR A 98 1.806 -4.372 5.568 1.00 0.00 O ATOM 1127 CB TYR A 98 3.255 -3.840 2.662 1.00 0.00 C ATOM 1128 CG TYR A 98 4.127 -4.406 1.566 1.00 0.00 C ATOM 1129 CD1 TYR A 98 5.387 -3.885 1.314 1.00 0.00 C ATOM 1130 CD2 TYR A 98 3.682 -5.449 0.771 1.00 0.00 C ATOM 1131 CE1 TYR A 98 6.180 -4.391 0.302 1.00 0.00 C ATOM 1132 CE2 TYR A 98 4.469 -5.961 -0.240 1.00 0.00 C ATOM 1133 CZ TYR A 98 5.714 -5.431 -0.472 1.00 0.00 C ATOM 1134 OH TYR A 98 6.495 -5.941 -1.486 1.00 0.00 O ATOM 0 H TYR A 98 3.471 -6.218 3.471 1.00 0.00 H new ATOM 0 HA TYR A 98 4.664 -3.797 4.283 1.00 0.00 H new ATOM 0 HB2 TYR A 98 2.231 -4.178 2.502 1.00 0.00 H new ATOM 0 HB3 TYR A 98 3.249 -2.753 2.576 1.00 0.00 H new ATOM 0 HD1 TYR A 98 5.755 -3.070 1.919 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.702 -5.869 0.945 1.00 0.00 H new ATOM 0 HE1 TYR A 98 7.159 -3.974 0.119 1.00 0.00 H new ATOM 0 HE2 TYR A 98 4.106 -6.777 -0.848 1.00 0.00 H new ATOM 0 HH TYR A 98 5.920 -6.284 -2.201 1.00 0.00 H new ATOM 1144 N GLN A 99 2.705 -2.350 5.263 1.00 0.00 N ATOM 1145 CA GLN A 99 1.774 -1.710 6.173 1.00 0.00 C ATOM 1146 C GLN A 99 1.120 -0.506 5.519 1.00 0.00 C ATOM 1147 O GLN A 99 1.750 0.221 4.744 1.00 0.00 O ATOM 1148 CB GLN A 99 2.451 -1.252 7.472 1.00 0.00 C ATOM 1149 CG GLN A 99 3.356 -2.280 8.131 1.00 0.00 C ATOM 1150 CD GLN A 99 4.804 -2.070 7.766 1.00 0.00 C ATOM 1151 OE1 GLN A 99 5.493 -1.277 8.400 1.00 0.00 O ATOM 1152 NE2 GLN A 99 5.292 -2.808 6.783 1.00 0.00 N ATOM 0 H GLN A 99 3.379 -1.721 4.827 1.00 0.00 H new ATOM 0 HA GLN A 99 1.022 -2.460 6.417 1.00 0.00 H new ATOM 0 HB2 GLN A 99 3.038 -0.358 7.261 1.00 0.00 H new ATOM 0 HB3 GLN A 99 1.677 -0.964 8.184 1.00 0.00 H new ATOM 0 HG2 GLN A 99 3.242 -2.223 9.214 1.00 0.00 H new ATOM 0 HG3 GLN A 99 3.047 -3.281 7.831 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.684 -3.455 6.281 1.00 0.00 H new ATOM 0 HE22 GLN A 99 6.276 -2.730 6.527 1.00 0.00 H new ATOM 1161 N LEU A 100 -0.150 -0.324 5.826 1.00 0.00 N ATOM 1162 CA LEU A 100 -0.874 0.880 5.474 1.00 0.00 C ATOM 1163 C LEU A 100 -1.191 1.606 6.772 1.00 0.00 C ATOM 1164 O LEU A 100 -1.796 1.025 7.666 1.00 0.00 O ATOM 1165 CB LEU A 100 -2.158 0.510 4.703 1.00 0.00 C ATOM 1166 CG LEU A 100 -3.018 1.672 4.172 1.00 0.00 C ATOM 1167 CD1 LEU A 100 -3.891 2.268 5.263 1.00 0.00 C ATOM 1168 CD2 LEU A 100 -2.143 2.748 3.562 1.00 0.00 C ATOM 0 H LEU A 100 -0.711 -1.012 6.329 1.00 0.00 H new ATOM 0 HA LEU A 100 -0.285 1.527 4.824 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.876 -0.116 3.856 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.781 -0.100 5.357 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.673 1.266 3.401 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.483 3.085 4.850 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.557 1.500 5.656 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.260 2.647 6.067 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.769 3.560 3.193 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.459 3.133 4.318 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.571 2.326 2.736 1.00 0.00 H new ATOM 1180 N LEU A 101 -0.760 2.847 6.901 1.00 0.00 N ATOM 1181 CA LEU A 101 -0.954 3.565 8.149 1.00 0.00 C ATOM 1182 C LEU A 101 -1.978 4.681 7.974 1.00 0.00 C ATOM 1183 O LEU A 101 -1.765 5.618 7.207 1.00 0.00 O ATOM 1184 CB LEU A 101 0.390 4.121 8.645 1.00 0.00 C ATOM 1185 CG LEU A 101 0.503 4.388 10.157 1.00 0.00 C ATOM 1186 CD1 LEU A 101 -0.317 5.597 10.574 1.00 0.00 C ATOM 1187 CD2 LEU A 101 0.071 3.163 10.950 1.00 0.00 C ATOM 0 H LEU A 101 -0.281 3.373 6.170 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.341 2.875 8.898 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.175 3.420 8.362 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.590 5.054 8.117 1.00 0.00 H new ATOM 0 HG LEU A 101 1.550 4.601 10.375 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -0.213 5.755 11.648 1.00 0.00 H new ATOM 0 HD12 LEU A 101 0.039 6.479 10.042 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.366 5.426 10.333 1.00 0.00 H new ATOM 0 HD21 LEU A 101 0.158 3.371 12.016 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.964 2.921 10.710 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.710 2.318 10.692 1.00 0.00 H new ATOM 1199 N SER A 102 -3.113 4.532 8.641 1.00 0.00 N ATOM 1200 CA SER A 102 -4.122 5.577 8.708 1.00 0.00 C ATOM 1201 C SER A 102 -4.142 6.218 10.102 1.00 0.00 C ATOM 1202 O SER A 102 -4.315 5.513 11.098 1.00 0.00 O ATOM 1203 CB SER A 102 -5.494 4.988 8.370 1.00 0.00 C ATOM 1204 OG SER A 102 -5.729 3.796 9.106 1.00 0.00 O ATOM 0 H SER A 102 -3.360 3.684 9.151 1.00 0.00 H new ATOM 0 HA SER A 102 -3.878 6.353 7.982 1.00 0.00 H new ATOM 0 HB2 SER A 102 -6.272 5.718 8.593 1.00 0.00 H new ATOM 0 HB3 SER A 102 -5.551 4.778 7.302 1.00 0.00 H new ATOM 0 HG SER A 102 -5.285 3.857 9.977 1.00 0.00 H new ATOM 1210 N PRO A 103 -3.956 7.547 10.220 1.00 0.00 N ATOM 1211 CA PRO A 103 -3.641 8.444 9.113 1.00 0.00 C ATOM 1212 C PRO A 103 -2.144 8.462 8.825 1.00 0.00 C ATOM 1213 O PRO A 103 -1.326 8.461 9.744 1.00 0.00 O ATOM 1214 CB PRO A 103 -4.102 9.823 9.618 1.00 0.00 C ATOM 1215 CG PRO A 103 -4.613 9.610 11.010 1.00 0.00 C ATOM 1216 CD PRO A 103 -4.059 8.294 11.472 1.00 0.00 C ATOM 0 HA PRO A 103 -4.124 8.141 8.184 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -3.277 10.536 9.611 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -4.882 10.232 8.976 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -4.293 10.418 11.668 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -5.703 9.599 11.025 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -3.091 8.408 11.959 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -4.719 7.802 12.187 1.00 0.00 H new ATOM 1224 N GLY A 104 -1.796 8.491 7.551 1.00 0.00 N ATOM 1225 CA GLY A 104 -0.410 8.365 7.153 1.00 0.00 C ATOM 1226 C GLY A 104 0.425 9.585 7.471 1.00 0.00 C ATOM 1227 O GLY A 104 -0.097 10.686 7.663 1.00 0.00 O ATOM 0 H GLY A 104 -2.453 8.600 6.779 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.025 7.498 7.650 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.365 8.173 6.081 1.00 0.00 H new ATOM 1231 N GLN A 105 1.732 9.386 7.525 1.00 0.00 N ATOM 1232 CA GLN A 105 2.667 10.473 7.763 1.00 0.00 C ATOM 1233 C GLN A 105 2.897 11.255 6.471 1.00 0.00 C ATOM 1234 O GLN A 105 3.469 12.343 6.480 1.00 0.00 O ATOM 1235 CB GLN A 105 3.995 9.920 8.295 1.00 0.00 C ATOM 1236 CG GLN A 105 4.900 10.976 8.913 1.00 0.00 C ATOM 1237 CD GLN A 105 6.264 10.428 9.287 1.00 0.00 C ATOM 1238 OE1 GLN A 105 6.474 9.940 10.399 1.00 0.00 O ATOM 1239 NE2 GLN A 105 7.207 10.522 8.365 1.00 0.00 N ATOM 0 H GLN A 105 2.172 8.473 7.406 1.00 0.00 H new ATOM 0 HA GLN A 105 2.246 11.146 8.510 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.785 9.154 9.041 1.00 0.00 H new ATOM 0 HB3 GLN A 105 4.527 9.432 7.478 1.00 0.00 H new ATOM 0 HG2 GLN A 105 5.024 11.800 8.210 1.00 0.00 H new ATOM 0 HG3 GLN A 105 4.420 11.385 9.802 1.00 0.00 H new ATOM 0 HE21 GLN A 105 6.993 10.933 7.456 1.00 0.00 H new ATOM 0 HE22 GLN A 105 8.149 10.184 8.562 1.00 0.00 H new ATOM 1248 N HIS A 106 2.440 10.692 5.357 1.00 0.00 N ATOM 1249 CA HIS A 106 2.590 11.338 4.055 1.00 0.00 C ATOM 1250 C HIS A 106 1.227 11.566 3.400 1.00 0.00 C ATOM 1251 O HIS A 106 1.108 11.557 2.171 1.00 0.00 O ATOM 1252 CB HIS A 106 3.478 10.497 3.127 1.00 0.00 C ATOM 1253 CG HIS A 106 4.865 10.251 3.650 1.00 0.00 C ATOM 1254 ND1 HIS A 106 5.882 11.172 3.543 1.00 0.00 N ATOM 1255 CD2 HIS A 106 5.400 9.178 4.278 1.00 0.00 C ATOM 1256 CE1 HIS A 106 6.981 10.675 4.079 1.00 0.00 C ATOM 1257 NE2 HIS A 106 6.717 9.466 4.533 1.00 0.00 N ATOM 0 H HIS A 106 1.963 9.791 5.328 1.00 0.00 H new ATOM 0 HA HIS A 106 3.067 12.304 4.218 1.00 0.00 H new ATOM 0 HB2 HIS A 106 2.993 9.537 2.952 1.00 0.00 H new ATOM 0 HB3 HIS A 106 3.550 10.998 2.162 1.00 0.00 H new ATOM 0 HD2 HIS A 106 4.885 8.263 4.532 1.00 0.00 H new ATOM 0 HE1 HIS A 106 7.937 11.175 4.136 1.00 0.00 H new ATOM 0 HE2 HIS A 106 7.382 8.847 4.997 1.00 0.00 H new ATOM 1266 N GLY A 107 0.203 11.769 4.219 1.00 0.00 N ATOM 1267 CA GLY A 107 -1.129 12.020 3.696 1.00 0.00 C ATOM 1268 C GLY A 107 -2.212 11.377 4.538 1.00 0.00 C ATOM 1269 O GLY A 107 -2.005 11.113 5.722 1.00 0.00 O ATOM 0 H GLY A 107 0.270 11.765 5.237 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -1.301 13.095 3.648 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -1.193 11.641 2.676 1.00 0.00 H new ATOM 1273 N GLN A 108 -3.372 11.142 3.935 1.00 0.00 N ATOM 1274 CA GLN A 108 -4.475 10.467 4.614 1.00 0.00 C ATOM 1275 C GLN A 108 -4.054 9.064 5.027 1.00 0.00 C ATOM 1276 O GLN A 108 -4.297 8.631 6.152 1.00 0.00 O ATOM 1277 CB GLN A 108 -5.699 10.396 3.695 1.00 0.00 C ATOM 1278 CG GLN A 108 -6.871 9.620 4.280 1.00 0.00 C ATOM 1279 CD GLN A 108 -7.459 10.272 5.515 1.00 0.00 C ATOM 1280 OE1 GLN A 108 -8.381 11.085 5.424 1.00 0.00 O ATOM 1281 NE2 GLN A 108 -6.937 9.915 6.675 1.00 0.00 N ATOM 0 H GLN A 108 -3.575 11.410 2.972 1.00 0.00 H new ATOM 0 HA GLN A 108 -4.737 11.036 5.506 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -6.027 11.410 3.465 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -5.406 9.934 2.752 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -7.649 9.523 3.523 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -6.542 8.611 4.531 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -6.174 9.238 6.704 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -7.297 10.316 7.541 1.00 0.00 H new ATOM 1290 N VAL A 109 -3.413 8.369 4.105 1.00 0.00 N ATOM 1291 CA VAL A 109 -2.897 7.036 4.355 1.00 0.00 C ATOM 1292 C VAL A 109 -1.494 6.923 3.778 1.00 0.00 C ATOM 1293 O VAL A 109 -1.162 7.615 2.815 1.00 0.00 O ATOM 1294 CB VAL A 109 -3.799 5.938 3.747 1.00 0.00 C ATOM 1295 CG1 VAL A 109 -5.107 5.829 4.511 1.00 0.00 C ATOM 1296 CG2 VAL A 109 -4.061 6.207 2.272 1.00 0.00 C ATOM 0 H VAL A 109 -3.236 8.713 3.161 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.878 6.883 5.434 1.00 0.00 H new ATOM 0 HB VAL A 109 -3.274 4.986 3.832 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -5.725 5.050 4.065 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -4.901 5.577 5.551 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -5.635 6.781 4.466 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.698 5.421 1.866 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -4.558 7.171 2.161 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.115 6.222 1.731 1.00 0.00 H new ATOM 1306 N ASP A 110 -0.671 6.078 4.374 1.00 0.00 N ATOM 1307 CA ASP A 110 0.718 5.950 3.953 1.00 0.00 C ATOM 1308 C ASP A 110 1.113 4.483 3.843 1.00 0.00 C ATOM 1309 O ASP A 110 0.841 3.693 4.749 1.00 0.00 O ATOM 1310 CB ASP A 110 1.625 6.674 4.950 1.00 0.00 C ATOM 1311 CG ASP A 110 3.077 6.690 4.527 1.00 0.00 C ATOM 1312 OD1 ASP A 110 3.942 6.315 5.343 1.00 0.00 O ATOM 1313 OD2 ASP A 110 3.357 7.102 3.386 1.00 0.00 O ATOM 0 H ASP A 110 -0.937 5.471 5.149 1.00 0.00 H new ATOM 0 HA ASP A 110 0.833 6.405 2.969 1.00 0.00 H new ATOM 0 HB2 ASP A 110 1.277 7.700 5.071 1.00 0.00 H new ATOM 0 HB3 ASP A 110 1.542 6.192 5.924 1.00 0.00 H new ATOM 1318 N ILE A 111 1.729 4.120 2.724 1.00 0.00 N ATOM 1319 CA ILE A 111 2.166 2.748 2.495 1.00 0.00 C ATOM 1320 C ILE A 111 3.686 2.657 2.501 1.00 0.00 C ATOM 1321 O ILE A 111 4.367 3.433 1.827 1.00 0.00 O ATOM 1322 CB ILE A 111 1.631 2.174 1.159 1.00 0.00 C ATOM 1323 CG1 ILE A 111 1.753 3.206 0.034 1.00 0.00 C ATOM 1324 CG2 ILE A 111 0.189 1.718 1.304 1.00 0.00 C ATOM 1325 CD1 ILE A 111 1.201 2.729 -1.293 1.00 0.00 C ATOM 0 H ILE A 111 1.938 4.760 1.958 1.00 0.00 H new ATOM 0 HA ILE A 111 1.755 2.154 3.311 1.00 0.00 H new ATOM 0 HB ILE A 111 2.241 1.308 0.899 1.00 0.00 H new ATOM 0 HG12 ILE A 111 1.230 4.115 0.329 1.00 0.00 H new ATOM 0 HG13 ILE A 111 2.803 3.469 -0.093 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -0.164 1.319 0.353 1.00 0.00 H new ATOM 0 HG22 ILE A 111 0.128 0.943 2.068 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -0.433 2.565 1.595 1.00 0.00 H new ATOM 0 HD11 ILE A 111 1.322 3.513 -2.041 1.00 0.00 H new ATOM 0 HD12 ILE A 111 1.740 1.837 -1.612 1.00 0.00 H new ATOM 0 HD13 ILE A 111 0.142 2.493 -1.183 1.00 0.00 H new ATOM 1337 N PHE A 112 4.214 1.714 3.271 1.00 0.00 N ATOM 1338 CA PHE A 112 5.655 1.521 3.373 1.00 0.00 C ATOM 1339 C PHE A 112 5.991 0.055 3.633 1.00 0.00 C ATOM 1340 O PHE A 112 5.132 -0.724 4.057 1.00 0.00 O ATOM 1341 CB PHE A 112 6.259 2.427 4.461 1.00 0.00 C ATOM 1342 CG PHE A 112 5.503 2.444 5.763 1.00 0.00 C ATOM 1343 CD1 PHE A 112 4.396 3.261 5.926 1.00 0.00 C ATOM 1344 CD2 PHE A 112 5.910 1.658 6.829 1.00 0.00 C ATOM 1345 CE1 PHE A 112 3.708 3.294 7.122 1.00 0.00 C ATOM 1346 CE2 PHE A 112 5.224 1.686 8.029 1.00 0.00 C ATOM 1347 CZ PHE A 112 4.122 2.504 8.175 1.00 0.00 C ATOM 0 H PHE A 112 3.663 1.068 3.836 1.00 0.00 H new ATOM 0 HA PHE A 112 6.100 1.804 2.419 1.00 0.00 H new ATOM 0 HB2 PHE A 112 7.282 2.104 4.656 1.00 0.00 H new ATOM 0 HB3 PHE A 112 6.314 3.445 4.076 1.00 0.00 H new ATOM 0 HD1 PHE A 112 4.067 3.881 5.105 1.00 0.00 H new ATOM 0 HD2 PHE A 112 6.772 1.017 6.721 1.00 0.00 H new ATOM 0 HE1 PHE A 112 2.847 3.937 7.234 1.00 0.00 H new ATOM 0 HE2 PHE A 112 5.550 1.068 8.852 1.00 0.00 H new ATOM 0 HZ PHE A 112 3.585 2.526 9.112 1.00 0.00 H new ATOM 1357 N SER A 113 7.237 -0.309 3.362 1.00 0.00 N ATOM 1358 CA SER A 113 7.678 -1.695 3.428 1.00 0.00 C ATOM 1359 C SER A 113 8.707 -1.908 4.532 1.00 0.00 C ATOM 1360 O SER A 113 9.604 -1.091 4.737 1.00 0.00 O ATOM 1361 CB SER A 113 8.270 -2.094 2.079 1.00 0.00 C ATOM 1362 OG SER A 113 9.123 -1.078 1.584 1.00 0.00 O ATOM 0 H SER A 113 7.969 0.347 3.091 1.00 0.00 H new ATOM 0 HA SER A 113 6.816 -2.320 3.660 1.00 0.00 H new ATOM 0 HB2 SER A 113 8.828 -3.025 2.183 1.00 0.00 H new ATOM 0 HB3 SER A 113 7.467 -2.281 1.366 1.00 0.00 H new ATOM 0 HG SER A 113 8.583 -0.332 1.249 1.00 0.00 H new ATOM 1368 N LEU A 114 8.572 -3.033 5.221 1.00 0.00 N ATOM 1369 CA LEU A 114 9.443 -3.385 6.336 1.00 0.00 C ATOM 1370 C LEU A 114 10.847 -3.665 5.851 1.00 0.00 C ATOM 1371 O LEU A 114 11.829 -3.407 6.556 1.00 0.00 O ATOM 1372 CB LEU A 114 8.909 -4.638 7.018 1.00 0.00 C ATOM 1373 CG LEU A 114 8.485 -4.501 8.487 1.00 0.00 C ATOM 1374 CD1 LEU A 114 7.794 -3.180 8.748 1.00 0.00 C ATOM 1375 CD2 LEU A 114 7.568 -5.647 8.874 1.00 0.00 C ATOM 0 H LEU A 114 7.854 -3.730 5.023 1.00 0.00 H new ATOM 0 HA LEU A 114 9.464 -2.547 7.033 1.00 0.00 H new ATOM 0 HB2 LEU A 114 8.051 -4.995 6.449 1.00 0.00 H new ATOM 0 HB3 LEU A 114 9.675 -5.411 6.957 1.00 0.00 H new ATOM 0 HG LEU A 114 9.388 -4.534 9.097 1.00 0.00 H new ATOM 0 HD11 LEU A 114 7.509 -3.120 9.798 1.00 0.00 H new ATOM 0 HD12 LEU A 114 8.472 -2.361 8.509 1.00 0.00 H new ATOM 0 HD13 LEU A 114 6.902 -3.106 8.125 1.00 0.00 H new ATOM 0 HD21 LEU A 114 7.273 -5.540 9.918 1.00 0.00 H new ATOM 0 HD22 LEU A 114 6.680 -5.631 8.243 1.00 0.00 H new ATOM 0 HD23 LEU A 114 8.092 -6.593 8.740 1.00 0.00 H new ATOM 1387 N GLY A 115 10.919 -4.238 4.657 1.00 0.00 N ATOM 1388 CA GLY A 115 12.186 -4.571 4.072 1.00 0.00 C ATOM 1389 C GLY A 115 12.832 -5.770 4.735 1.00 0.00 C ATOM 1390 O GLY A 115 12.160 -6.570 5.390 1.00 0.00 O ATOM 0 H GLY A 115 10.109 -4.477 4.085 1.00 0.00 H new ATOM 0 HA2 GLY A 115 12.050 -4.776 3.010 1.00 0.00 H new ATOM 0 HA3 GLY A 115 12.855 -3.713 4.148 1.00 0.00 H new ATOM 1394 N PRO A 116 14.146 -5.905 4.569 1.00 0.00 N ATOM 1395 CA PRO A 116 14.925 -7.022 5.107 1.00 0.00 C ATOM 1396 C PRO A 116 15.045 -6.955 6.624 1.00 0.00 C ATOM 1397 O PRO A 116 15.028 -7.974 7.316 1.00 0.00 O ATOM 1398 CB PRO A 116 16.306 -6.851 4.454 1.00 0.00 C ATOM 1399 CG PRO A 116 16.133 -5.804 3.400 1.00 0.00 C ATOM 1400 CD PRO A 116 14.983 -4.953 3.847 1.00 0.00 C ATOM 0 HA PRO A 116 14.459 -7.984 4.894 1.00 0.00 H new ATOM 0 HB2 PRO A 116 17.051 -6.546 5.189 1.00 0.00 H new ATOM 0 HB3 PRO A 116 16.652 -7.789 4.020 1.00 0.00 H new ATOM 0 HG2 PRO A 116 17.039 -5.208 3.289 1.00 0.00 H new ATOM 0 HG3 PRO A 116 15.929 -6.257 2.430 1.00 0.00 H new ATOM 0 HD2 PRO A 116 15.310 -4.133 4.487 1.00 0.00 H new ATOM 0 HD3 PRO A 116 14.456 -4.508 3.003 1.00 0.00 H new ATOM 1408 N ASP A 117 15.130 -5.737 7.131 1.00 0.00 N ATOM 1409 CA ASP A 117 15.364 -5.506 8.549 1.00 0.00 C ATOM 1410 C ASP A 117 14.078 -5.539 9.352 1.00 0.00 C ATOM 1411 O ASP A 117 14.109 -5.608 10.578 1.00 0.00 O ATOM 1412 CB ASP A 117 16.038 -4.152 8.747 1.00 0.00 C ATOM 1413 CG ASP A 117 15.443 -3.075 7.856 1.00 0.00 C ATOM 1414 OD1 ASP A 117 16.180 -2.601 6.963 1.00 0.00 O ATOM 1415 OD2 ASP A 117 14.244 -2.730 8.025 1.00 0.00 O ATOM 0 H ASP A 117 15.040 -4.885 6.577 1.00 0.00 H new ATOM 0 HA ASP A 117 16.008 -6.309 8.907 1.00 0.00 H new ATOM 0 HB2 ASP A 117 15.943 -3.851 9.790 1.00 0.00 H new ATOM 0 HB3 ASP A 117 17.104 -4.245 8.538 1.00 0.00 H new ATOM 1420 N GLY A 118 12.950 -5.486 8.664 1.00 0.00 N ATOM 1421 CA GLY A 118 11.675 -5.560 9.343 1.00 0.00 C ATOM 1422 C GLY A 118 11.358 -4.296 10.124 1.00 0.00 C ATOM 1423 O GLY A 118 10.433 -4.282 10.933 1.00 0.00 O ATOM 0 H GLY A 118 12.894 -5.393 7.650 1.00 0.00 H new ATOM 0 HA2 GLY A 118 10.887 -5.738 8.611 1.00 0.00 H new ATOM 0 HA3 GLY A 118 11.678 -6.412 10.023 1.00 0.00 H new ATOM 1427 N VAL A 119 12.127 -3.237 9.894 1.00 0.00 N ATOM 1428 CA VAL A 119 11.950 -1.999 10.641 1.00 0.00 C ATOM 1429 C VAL A 119 11.090 -1.006 9.868 1.00 0.00 C ATOM 1430 O VAL A 119 11.496 -0.518 8.807 1.00 0.00 O ATOM 1431 CB VAL A 119 13.306 -1.341 10.982 1.00 0.00 C ATOM 1432 CG1 VAL A 119 13.105 -0.103 11.847 1.00 0.00 C ATOM 1433 CG2 VAL A 119 14.224 -2.335 11.677 1.00 0.00 C ATOM 0 H VAL A 119 12.874 -3.212 9.200 1.00 0.00 H new ATOM 0 HA VAL A 119 11.445 -2.263 11.570 1.00 0.00 H new ATOM 0 HB VAL A 119 13.777 -1.032 10.049 1.00 0.00 H new ATOM 0 HG11 VAL A 119 14.073 0.343 12.074 1.00 0.00 H new ATOM 0 HG12 VAL A 119 12.489 0.619 11.311 1.00 0.00 H new ATOM 0 HG13 VAL A 119 12.608 -0.385 12.776 1.00 0.00 H new ATOM 0 HG21 VAL A 119 15.174 -1.853 11.909 1.00 0.00 H new ATOM 0 HG22 VAL A 119 13.757 -2.678 12.600 1.00 0.00 H new ATOM 0 HG23 VAL A 119 14.401 -3.187 11.021 1.00 0.00 H new ATOM 1443 N PRO A 120 9.884 -0.701 10.391 1.00 0.00 N ATOM 1444 CA PRO A 120 8.972 0.254 9.764 1.00 0.00 C ATOM 1445 C PRO A 120 9.406 1.700 9.977 1.00 0.00 C ATOM 1446 O PRO A 120 9.969 2.044 11.024 1.00 0.00 O ATOM 1447 CB PRO A 120 7.641 -0.009 10.466 1.00 0.00 C ATOM 1448 CG PRO A 120 8.008 -0.552 11.802 1.00 0.00 C ATOM 1449 CD PRO A 120 9.323 -1.270 11.632 1.00 0.00 C ATOM 0 HA PRO A 120 8.933 0.125 8.682 1.00 0.00 H new ATOM 0 HB2 PRO A 120 7.057 0.907 10.559 1.00 0.00 H new ATOM 0 HB3 PRO A 120 7.033 -0.719 9.905 1.00 0.00 H new ATOM 0 HG2 PRO A 120 8.097 0.250 12.535 1.00 0.00 H new ATOM 0 HG3 PRO A 120 7.240 -1.233 12.167 1.00 0.00 H new ATOM 0 HD2 PRO A 120 9.983 -1.100 12.483 1.00 0.00 H new ATOM 0 HD3 PRO A 120 9.181 -2.348 11.548 1.00 0.00 H new ATOM 1457 N GLU A 121 9.145 2.533 8.970 1.00 0.00 N ATOM 1458 CA GLU A 121 9.462 3.960 9.007 1.00 0.00 C ATOM 1459 C GLU A 121 10.972 4.167 9.021 1.00 0.00 C ATOM 1460 O GLU A 121 11.474 5.203 9.463 1.00 0.00 O ATOM 1461 CB GLU A 121 8.823 4.634 10.224 1.00 0.00 C ATOM 1462 CG GLU A 121 7.316 4.479 10.287 1.00 0.00 C ATOM 1463 CD GLU A 121 6.745 5.027 11.572 1.00 0.00 C ATOM 1464 OE1 GLU A 121 6.875 4.356 12.616 1.00 0.00 O ATOM 1465 OE2 GLU A 121 6.178 6.137 11.551 1.00 0.00 O ATOM 0 H GLU A 121 8.705 2.234 8.100 1.00 0.00 H new ATOM 0 HA GLU A 121 9.051 4.421 8.109 1.00 0.00 H new ATOM 0 HB2 GLU A 121 9.260 4.216 11.131 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.070 5.696 10.211 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.863 4.994 9.440 1.00 0.00 H new ATOM 0 HG3 GLU A 121 7.056 3.425 10.195 1.00 0.00 H new ATOM 1472 N SER A 122 11.686 3.167 8.545 1.00 0.00 N ATOM 1473 CA SER A 122 13.129 3.203 8.488 1.00 0.00 C ATOM 1474 C SER A 122 13.602 3.758 7.144 1.00 0.00 C ATOM 1475 O SER A 122 12.792 4.055 6.267 1.00 0.00 O ATOM 1476 CB SER A 122 13.649 1.790 8.726 1.00 0.00 C ATOM 1477 OG SER A 122 12.678 0.833 8.327 1.00 0.00 O ATOM 0 H SER A 122 11.278 2.304 8.186 1.00 0.00 H new ATOM 0 HA SER A 122 13.522 3.867 9.258 1.00 0.00 H new ATOM 0 HB2 SER A 122 14.572 1.636 8.167 1.00 0.00 H new ATOM 0 HB3 SER A 122 13.889 1.656 9.781 1.00 0.00 H new ATOM 0 HG SER A 122 12.272 1.113 7.480 1.00 0.00 H new ATOM 1483 N ASN A 123 14.911 3.893 6.981 1.00 0.00 N ATOM 1484 CA ASN A 123 15.478 4.467 5.761 1.00 0.00 C ATOM 1485 C ASN A 123 15.385 3.486 4.597 1.00 0.00 C ATOM 1486 O ASN A 123 15.523 3.869 3.437 1.00 0.00 O ATOM 1487 CB ASN A 123 16.937 4.877 5.986 1.00 0.00 C ATOM 1488 CG ASN A 123 17.078 6.002 6.992 1.00 0.00 C ATOM 1489 OD1 ASN A 123 17.157 5.768 8.198 1.00 0.00 O ATOM 1490 ND2 ASN A 123 17.121 7.232 6.504 1.00 0.00 N ATOM 0 H ASN A 123 15.603 3.614 7.676 1.00 0.00 H new ATOM 0 HA ASN A 123 14.896 5.354 5.510 1.00 0.00 H new ATOM 0 HB2 ASN A 123 17.504 4.013 6.331 1.00 0.00 H new ATOM 0 HB3 ASN A 123 17.374 5.187 5.037 1.00 0.00 H new ATOM 0 HD21 ASN A 123 17.223 8.027 7.134 1.00 0.00 H new ATOM 0 HD22 ASN A 123 17.052 7.384 5.498 1.00 0.00 H new ATOM 1497 N ASP A 124 15.157 2.220 4.916 1.00 0.00 N ATOM 1498 CA ASP A 124 15.014 1.178 3.900 1.00 0.00 C ATOM 1499 C ASP A 124 13.568 1.092 3.437 1.00 0.00 C ATOM 1500 O ASP A 124 13.270 0.479 2.414 1.00 0.00 O ATOM 1501 CB ASP A 124 15.409 -0.182 4.472 1.00 0.00 C ATOM 1502 CG ASP A 124 14.378 -0.672 5.466 1.00 0.00 C ATOM 1503 OD1 ASP A 124 13.577 -1.568 5.162 1.00 0.00 O ATOM 1504 OD2 ASP A 124 14.290 -0.136 6.575 1.00 0.00 O ATOM 0 H ASP A 124 15.066 1.885 5.875 1.00 0.00 H new ATOM 0 HA ASP A 124 15.664 1.434 3.064 1.00 0.00 H new ATOM 0 HB2 ASP A 124 15.512 -0.905 3.663 1.00 0.00 H new ATOM 0 HB3 ASP A 124 16.382 -0.108 4.958 1.00 0.00 H new ATOM 1509 N ASP A 125 12.676 1.693 4.214 1.00 0.00 N ATOM 1510 CA ASP A 125 11.245 1.584 3.976 1.00 0.00 C ATOM 1511 C ASP A 125 10.861 2.202 2.641 1.00 0.00 C ATOM 1512 O ASP A 125 10.840 3.423 2.487 1.00 0.00 O ATOM 1513 CB ASP A 125 10.463 2.251 5.107 1.00 0.00 C ATOM 1514 CG ASP A 125 10.265 1.350 6.315 1.00 0.00 C ATOM 1515 OD1 ASP A 125 9.088 1.127 6.686 1.00 0.00 O ATOM 1516 OD2 ASP A 125 11.273 0.892 6.920 1.00 0.00 O ATOM 0 H ASP A 125 12.923 2.266 5.021 1.00 0.00 H new ATOM 0 HA ASP A 125 10.992 0.524 3.946 1.00 0.00 H new ATOM 0 HB2 ASP A 125 10.988 3.154 5.418 1.00 0.00 H new ATOM 0 HB3 ASP A 125 9.488 2.562 4.731 1.00 0.00 H new ATOM 1521 N ILE A 126 10.568 1.346 1.678 1.00 0.00 N ATOM 1522 CA ILE A 126 10.140 1.791 0.365 1.00 0.00 C ATOM 1523 C ILE A 126 8.658 2.129 0.392 1.00 0.00 C ATOM 1524 O ILE A 126 7.807 1.241 0.488 1.00 0.00 O ATOM 1525 CB ILE A 126 10.401 0.714 -0.712 1.00 0.00 C ATOM 1526 CG1 ILE A 126 11.904 0.451 -0.858 1.00 0.00 C ATOM 1527 CG2 ILE A 126 9.793 1.121 -2.048 1.00 0.00 C ATOM 1528 CD1 ILE A 126 12.701 1.661 -1.301 1.00 0.00 C ATOM 0 H ILE A 126 10.619 0.333 1.783 1.00 0.00 H new ATOM 0 HA ILE A 126 10.720 2.678 0.109 1.00 0.00 H new ATOM 0 HB ILE A 126 9.920 -0.210 -0.391 1.00 0.00 H new ATOM 0 HG12 ILE A 126 12.296 0.101 0.097 1.00 0.00 H new ATOM 0 HG13 ILE A 126 12.053 -0.353 -1.578 1.00 0.00 H new ATOM 0 HG21 ILE A 126 9.991 0.346 -2.789 1.00 0.00 H new ATOM 0 HG22 ILE A 126 8.716 1.248 -1.934 1.00 0.00 H new ATOM 0 HG23 ILE A 126 10.236 2.060 -2.378 1.00 0.00 H new ATOM 0 HD11 ILE A 126 13.755 1.393 -1.381 1.00 0.00 H new ATOM 0 HD12 ILE A 126 12.338 2.000 -2.271 1.00 0.00 H new ATOM 0 HD13 ILE A 126 12.584 2.461 -0.570 1.00 0.00 H new ATOM 1540 N GLY A 127 8.362 3.413 0.340 1.00 0.00 N ATOM 1541 CA GLY A 127 6.990 3.860 0.322 1.00 0.00 C ATOM 1542 C GLY A 127 6.638 4.526 -0.986 1.00 0.00 C ATOM 1543 O GLY A 127 7.519 4.778 -1.813 1.00 0.00 O ATOM 0 H GLY A 127 9.055 4.161 0.310 1.00 0.00 H new ATOM 0 HA2 GLY A 127 6.328 3.010 0.488 1.00 0.00 H new ATOM 0 HA3 GLY A 127 6.824 4.558 1.142 1.00 0.00 H new ATOM 1547 N ASN A 128 5.360 4.816 -1.185 1.00 0.00 N ATOM 1548 CA ASN A 128 4.911 5.433 -2.429 1.00 0.00 C ATOM 1549 C ASN A 128 5.473 6.840 -2.549 1.00 0.00 C ATOM 1550 O ASN A 128 5.889 7.267 -3.627 1.00 0.00 O ATOM 1551 CB ASN A 128 3.376 5.453 -2.528 1.00 0.00 C ATOM 1552 CG ASN A 128 2.699 6.260 -1.431 1.00 0.00 C ATOM 1553 OD1 ASN A 128 3.186 6.344 -0.307 1.00 0.00 O ATOM 1554 ND2 ASN A 128 1.557 6.850 -1.754 1.00 0.00 N ATOM 0 H ASN A 128 4.619 4.636 -0.508 1.00 0.00 H new ATOM 0 HA ASN A 128 5.285 4.831 -3.257 1.00 0.00 H new ATOM 0 HB2 ASN A 128 3.089 5.863 -3.497 1.00 0.00 H new ATOM 0 HB3 ASN A 128 3.006 4.428 -2.493 1.00 0.00 H new ATOM 0 HD21 ASN A 128 1.051 7.397 -1.058 1.00 0.00 H new ATOM 0 HD22 ASN A 128 1.184 6.757 -2.699 1.00 0.00 H new ATOM 1561 N TRP A 129 5.525 7.541 -1.429 1.00 0.00 N ATOM 1562 CA TRP A 129 6.087 8.879 -1.390 1.00 0.00 C ATOM 1563 C TRP A 129 7.591 8.806 -1.631 1.00 0.00 C ATOM 1564 O TRP A 129 8.186 9.710 -2.212 1.00 0.00 O ATOM 1565 CB TRP A 129 5.789 9.524 -0.032 1.00 0.00 C ATOM 1566 CG TRP A 129 6.027 11.005 0.013 1.00 0.00 C ATOM 1567 CD1 TRP A 129 5.126 11.984 -0.288 1.00 0.00 C ATOM 1568 CD2 TRP A 129 7.236 11.674 0.394 1.00 0.00 C ATOM 1569 NE1 TRP A 129 5.701 13.221 -0.120 1.00 0.00 N ATOM 1570 CE2 TRP A 129 6.993 13.057 0.299 1.00 0.00 C ATOM 1571 CE3 TRP A 129 8.498 11.240 0.805 1.00 0.00 C ATOM 1572 CZ2 TRP A 129 7.964 14.004 0.601 1.00 0.00 C ATOM 1573 CZ3 TRP A 129 9.463 12.183 1.104 1.00 0.00 C ATOM 1574 CH2 TRP A 129 9.191 13.551 1.003 1.00 0.00 C ATOM 0 H TRP A 129 5.182 7.202 -0.530 1.00 0.00 H new ATOM 0 HA TRP A 129 5.636 9.491 -2.171 1.00 0.00 H new ATOM 0 HB2 TRP A 129 4.750 9.327 0.231 1.00 0.00 H new ATOM 0 HB3 TRP A 129 6.406 9.045 0.728 1.00 0.00 H new ATOM 0 HD1 TRP A 129 4.110 11.812 -0.611 1.00 0.00 H new ATOM 0 HE1 TRP A 129 5.239 14.116 -0.282 1.00 0.00 H new ATOM 0 HE3 TRP A 129 8.716 10.186 0.888 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 7.757 15.061 0.521 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 10.443 11.858 1.421 1.00 0.00 H new ATOM 0 HH2 TRP A 129 9.965 14.264 1.247 1.00 0.00 H new ATOM 1585 N THR A 130 8.183 7.697 -1.210 1.00 0.00 N ATOM 1586 CA THR A 130 9.615 7.489 -1.335 1.00 0.00 C ATOM 1587 C THR A 130 10.019 7.241 -2.788 1.00 0.00 C ATOM 1588 O THR A 130 11.057 7.723 -3.243 1.00 0.00 O ATOM 1589 CB THR A 130 10.063 6.287 -0.486 1.00 0.00 C ATOM 1590 OG1 THR A 130 9.357 6.284 0.760 1.00 0.00 O ATOM 1591 CG2 THR A 130 11.560 6.332 -0.222 1.00 0.00 C ATOM 0 H THR A 130 7.685 6.921 -0.774 1.00 0.00 H new ATOM 0 HA THR A 130 10.103 8.397 -0.980 1.00 0.00 H new ATOM 0 HB THR A 130 9.838 5.376 -1.040 1.00 0.00 H new ATOM 0 HG1 THR A 130 9.845 5.738 1.411 1.00 0.00 H new ATOM 0 HG21 THR A 130 11.849 5.471 0.380 1.00 0.00 H new ATOM 0 HG22 THR A 130 12.097 6.309 -1.170 1.00 0.00 H new ATOM 0 HG23 THR A 130 11.808 7.249 0.313 1.00 0.00 H new ATOM 1599 N ILE A 131 9.202 6.486 -3.517 1.00 0.00 N ATOM 1600 CA ILE A 131 9.543 6.119 -4.884 1.00 0.00 C ATOM 1601 C ILE A 131 9.266 7.263 -5.865 1.00 0.00 C ATOM 1602 O ILE A 131 10.073 7.522 -6.759 1.00 0.00 O ATOM 1603 CB ILE A 131 8.823 4.819 -5.340 1.00 0.00 C ATOM 1604 CG1 ILE A 131 9.281 4.406 -6.744 1.00 0.00 C ATOM 1605 CG2 ILE A 131 7.313 4.979 -5.304 1.00 0.00 C ATOM 1606 CD1 ILE A 131 10.747 4.036 -6.826 1.00 0.00 C ATOM 0 H ILE A 131 8.309 6.121 -3.187 1.00 0.00 H new ATOM 0 HA ILE A 131 10.615 5.921 -4.891 1.00 0.00 H new ATOM 0 HB ILE A 131 9.095 4.031 -4.638 1.00 0.00 H new ATOM 0 HG12 ILE A 131 8.683 3.557 -7.076 1.00 0.00 H new ATOM 0 HG13 ILE A 131 9.084 5.225 -7.436 1.00 0.00 H new ATOM 0 HG21 ILE A 131 6.841 4.052 -5.629 1.00 0.00 H new ATOM 0 HG22 ILE A 131 6.996 5.211 -4.287 1.00 0.00 H new ATOM 0 HG23 ILE A 131 7.017 5.789 -5.970 1.00 0.00 H new ATOM 0 HD11 ILE A 131 10.995 3.756 -7.850 1.00 0.00 H new ATOM 0 HD12 ILE A 131 11.355 4.890 -6.526 1.00 0.00 H new ATOM 0 HD13 ILE A 131 10.948 3.196 -6.161 1.00 0.00 H new ATOM 1618 N GLY A 132 8.150 7.969 -5.693 1.00 0.00 N ATOM 1619 CA GLY A 132 7.861 9.076 -6.589 1.00 0.00 C ATOM 1620 C GLY A 132 6.404 9.508 -6.600 1.00 0.00 C ATOM 1621 O GLY A 132 5.999 10.290 -7.457 1.00 0.00 O ATOM 0 H GLY A 132 7.455 7.800 -4.966 1.00 0.00 H new ATOM 0 HA2 GLY A 132 8.478 9.928 -6.305 1.00 0.00 H new ATOM 0 HA3 GLY A 132 8.152 8.794 -7.601 1.00 0.00 H new