USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 706 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 ASN : amide:sc= 0 X(o=-0.002,f=-0.002) USER MOD Set 1.2: A 54 GLN : amide:sc=-0.00199 X(o=-0.002,f=-0.33) USER MOD Set 2.1: A 25 GLN : amide:sc= -2.83 K(o=-4.9,f=-2.9!) USER MOD Set 2.2: A 37 MET CE :methyl 179:sc= -2.09 (180deg=-0.00419) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -1.68 K(o=-1.7,f=-7!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -29:sc= 1.12 USER MOD Single : A 23 ASN : amide:sc= -2.72! C(o=-2.7!,f=-3!) USER MOD Single : A 24 GLN : amide:sc= -3.35 K(o=-3.3,f=-6.4!) USER MOD Single : A 28 ASN : amide:sc= -0.639 K(o=-0.64,f=-5.3!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 85:sc= 1.23 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -2.76 K(o=-2.8,f=-3.4!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 130:sc= -0.587 USER MOD Single : A 55 GLN : amide:sc=-0.000411 X(o=-0.00041,f=0) USER MOD Single : A 57 THR OG1 : rot -23:sc= 0.397 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.0066 X(o=-0.0066,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= 0.0534 X(o=0.053,f=0) USER MOD Single : A 76 THR OG1 : rot 76:sc= 1.21 USER MOD Single : A 79 ASN : amide:sc= -1.4 K(o=-1.4,f=-0.68) USER MOD Single : A 84 LYS NZ :NH3+ 150:sc=-0.00775 (180deg=-0.59) USER MOD Single : A 85 TYR OH : rot -88:sc= -1.89 USER MOD Single : A 90 LYS NZ :NH3+ -155:sc= 0.278 (180deg=0.109) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 62 N LYS A 5 0.501 22.215 -7.825 1.00 0.00 N ATOM 63 CA LYS A 5 1.484 21.220 -8.249 1.00 0.00 C ATOM 64 C LYS A 5 2.201 20.603 -7.050 1.00 0.00 C ATOM 65 O LYS A 5 2.524 19.418 -7.053 1.00 0.00 O ATOM 66 CB LYS A 5 2.500 21.845 -9.211 1.00 0.00 C ATOM 67 CG LYS A 5 3.390 22.901 -8.572 1.00 0.00 C ATOM 68 CD LYS A 5 2.751 24.281 -8.618 1.00 0.00 C ATOM 69 CE LYS A 5 2.477 24.817 -7.222 1.00 0.00 C ATOM 70 NZ LYS A 5 1.945 26.207 -7.253 1.00 0.00 N ATOM 0 HA LYS A 5 0.950 20.425 -8.769 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.129 21.055 -9.622 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.964 22.294 -10.047 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.592 22.628 -7.536 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.350 22.928 -9.087 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.408 24.969 -9.150 1.00 0.00 H new ATOM 0 HD3 LYS A 5 1.818 24.232 -9.179 1.00 0.00 H new ATOM 0 HE2 LYS A 5 1.762 24.166 -6.718 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.397 24.794 -6.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 1.772 26.534 -6.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 2.637 26.834 -7.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 1.054 26.226 -7.788 1.00 0.00 H new ATOM 84 N ALA A 6 2.442 21.415 -6.026 1.00 0.00 N ATOM 85 CA ALA A 6 3.116 20.943 -4.819 1.00 0.00 C ATOM 86 C ALA A 6 2.439 19.686 -4.276 1.00 0.00 C ATOM 87 O ALA A 6 3.103 18.748 -3.826 1.00 0.00 O ATOM 88 CB ALA A 6 3.133 22.037 -3.762 1.00 0.00 C ATOM 0 H ALA A 6 2.182 22.401 -6.006 1.00 0.00 H new ATOM 0 HA ALA A 6 4.145 20.691 -5.077 1.00 0.00 H new ATOM 0 HB1 ALA A 6 3.638 21.671 -2.868 1.00 0.00 H new ATOM 0 HB2 ALA A 6 3.663 22.908 -4.148 1.00 0.00 H new ATOM 0 HB3 ALA A 6 2.110 22.317 -3.512 1.00 0.00 H new ATOM 94 N ASN A 7 1.111 19.669 -4.340 1.00 0.00 N ATOM 95 CA ASN A 7 0.339 18.527 -3.870 1.00 0.00 C ATOM 96 C ASN A 7 0.515 17.343 -4.812 1.00 0.00 C ATOM 97 O ASN A 7 0.740 16.216 -4.374 1.00 0.00 O ATOM 98 CB ASN A 7 -1.143 18.897 -3.759 1.00 0.00 C ATOM 99 CG ASN A 7 -1.774 18.379 -2.480 1.00 0.00 C ATOM 100 OD1 ASN A 7 -1.096 18.203 -1.467 1.00 0.00 O ATOM 101 ND2 ASN A 7 -3.078 18.131 -2.522 1.00 0.00 N ATOM 0 H ASN A 7 0.549 20.434 -4.713 1.00 0.00 H new ATOM 0 HA ASN A 7 0.705 18.245 -2.883 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -1.248 19.981 -3.800 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -1.681 18.492 -4.616 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -3.557 17.780 -1.693 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -3.600 18.292 -3.383 1.00 0.00 H new ATOM 108 N LYS A 8 0.420 17.609 -6.112 1.00 0.00 N ATOM 109 CA LYS A 8 0.579 16.566 -7.118 1.00 0.00 C ATOM 110 C LYS A 8 1.965 15.942 -7.026 1.00 0.00 C ATOM 111 O LYS A 8 2.128 14.735 -7.203 1.00 0.00 O ATOM 112 CB LYS A 8 0.354 17.137 -8.519 1.00 0.00 C ATOM 113 CG LYS A 8 -1.112 17.352 -8.860 1.00 0.00 C ATOM 114 CD LYS A 8 -1.529 16.540 -10.076 1.00 0.00 C ATOM 115 CE LYS A 8 -3.017 16.233 -10.057 1.00 0.00 C ATOM 116 NZ LYS A 8 -3.315 14.894 -10.634 1.00 0.00 N ATOM 0 H LYS A 8 0.234 18.537 -6.492 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.166 15.793 -6.930 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.881 18.087 -8.604 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.794 16.461 -9.253 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.729 17.073 -8.006 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.291 18.410 -9.050 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.281 17.090 -10.984 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.964 15.608 -10.104 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.383 16.276 -9.031 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.553 16.998 -10.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.340 14.723 -10.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.989 14.861 -11.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.825 14.161 -10.082 1.00 0.00 H new ATOM 130 N ASP A 9 2.959 16.774 -6.735 1.00 0.00 N ATOM 131 CA ASP A 9 4.330 16.306 -6.605 1.00 0.00 C ATOM 132 C ASP A 9 4.450 15.374 -5.407 1.00 0.00 C ATOM 133 O ASP A 9 5.048 14.302 -5.496 1.00 0.00 O ATOM 134 CB ASP A 9 5.286 17.488 -6.448 1.00 0.00 C ATOM 135 CG ASP A 9 6.740 17.061 -6.452 1.00 0.00 C ATOM 136 OD1 ASP A 9 7.275 16.787 -7.547 1.00 0.00 O ATOM 137 OD2 ASP A 9 7.344 17.001 -5.360 1.00 0.00 O ATOM 0 H ASP A 9 2.839 17.776 -6.585 1.00 0.00 H new ATOM 0 HA ASP A 9 4.599 15.760 -7.509 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.117 18.198 -7.257 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.066 18.008 -5.516 1.00 0.00 H new ATOM 142 N LEU A 10 3.868 15.791 -4.288 1.00 0.00 N ATOM 143 CA LEU A 10 3.901 14.991 -3.072 1.00 0.00 C ATOM 144 C LEU A 10 3.229 13.637 -3.297 1.00 0.00 C ATOM 145 O LEU A 10 3.756 12.599 -2.897 1.00 0.00 O ATOM 146 CB LEU A 10 3.208 15.738 -1.929 1.00 0.00 C ATOM 147 CG LEU A 10 4.079 15.983 -0.696 1.00 0.00 C ATOM 148 CD1 LEU A 10 4.627 14.669 -0.161 1.00 0.00 C ATOM 149 CD2 LEU A 10 5.214 16.940 -1.032 1.00 0.00 C ATOM 0 H LEU A 10 3.369 16.676 -4.199 1.00 0.00 H new ATOM 0 HA LEU A 10 4.943 14.819 -2.803 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.856 16.699 -2.304 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.327 15.172 -1.626 1.00 0.00 H new ATOM 0 HG LEU A 10 3.463 16.437 0.080 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.244 14.863 0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.800 14.015 0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.230 14.186 -0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.825 17.105 -0.145 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.830 16.511 -1.822 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.801 17.890 -1.370 1.00 0.00 H new ATOM 161 N ILE A 11 2.055 13.658 -3.927 1.00 0.00 N ATOM 162 CA ILE A 11 1.309 12.431 -4.188 1.00 0.00 C ATOM 163 C ILE A 11 2.078 11.487 -5.109 1.00 0.00 C ATOM 164 O ILE A 11 2.244 10.308 -4.801 1.00 0.00 O ATOM 165 CB ILE A 11 -0.065 12.727 -4.823 1.00 0.00 C ATOM 166 CG1 ILE A 11 -0.814 13.793 -4.022 1.00 0.00 C ATOM 167 CG2 ILE A 11 -0.891 11.452 -4.913 1.00 0.00 C ATOM 168 CD1 ILE A 11 -1.621 14.738 -4.886 1.00 0.00 C ATOM 0 H ILE A 11 1.603 14.508 -4.264 1.00 0.00 H new ATOM 0 HA ILE A 11 1.165 11.951 -3.220 1.00 0.00 H new ATOM 0 HB ILE A 11 0.098 13.110 -5.831 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.481 13.302 -3.313 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.096 14.369 -3.438 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.858 11.676 -5.363 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.366 10.721 -5.527 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.042 11.045 -3.913 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.126 15.468 -4.253 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.957 15.256 -5.578 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.362 14.172 -5.450 1.00 0.00 H new ATOM 180 N SER A 12 2.543 12.006 -6.240 1.00 0.00 N ATOM 181 CA SER A 12 3.286 11.195 -7.200 1.00 0.00 C ATOM 182 C SER A 12 4.544 10.613 -6.570 1.00 0.00 C ATOM 183 O SER A 12 4.881 9.453 -6.800 1.00 0.00 O ATOM 184 CB SER A 12 3.653 12.030 -8.429 1.00 0.00 C ATOM 185 OG SER A 12 3.593 11.251 -9.611 1.00 0.00 O ATOM 0 H SER A 12 2.420 12.981 -6.515 1.00 0.00 H new ATOM 0 HA SER A 12 2.646 10.369 -7.508 1.00 0.00 H new ATOM 0 HB2 SER A 12 2.973 12.877 -8.513 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.657 12.438 -8.309 1.00 0.00 H new ATOM 0 HG SER A 12 3.830 11.808 -10.382 1.00 0.00 H new ATOM 191 N ALA A 13 5.237 11.418 -5.771 1.00 0.00 N ATOM 192 CA ALA A 13 6.453 10.960 -5.113 1.00 0.00 C ATOM 193 C ALA A 13 6.138 9.837 -4.134 1.00 0.00 C ATOM 194 O ALA A 13 6.820 8.810 -4.108 1.00 0.00 O ATOM 195 CB ALA A 13 7.141 12.114 -4.400 1.00 0.00 C ATOM 0 H ALA A 13 4.979 12.383 -5.565 1.00 0.00 H new ATOM 0 HA ALA A 13 7.132 10.573 -5.873 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.047 11.753 -3.914 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.400 12.886 -5.124 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.469 12.531 -3.650 1.00 0.00 H new ATOM 201 N GLY A 14 5.088 10.030 -3.343 1.00 0.00 N ATOM 202 CA GLY A 14 4.690 9.017 -2.389 1.00 0.00 C ATOM 203 C GLY A 14 4.189 7.768 -3.082 1.00 0.00 C ATOM 204 O GLY A 14 4.477 6.649 -2.654 1.00 0.00 O ATOM 0 H GLY A 14 4.508 10.869 -3.347 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.536 8.765 -1.750 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.908 9.413 -1.741 1.00 0.00 H new ATOM 208 N LEU A 15 3.447 7.963 -4.168 1.00 0.00 N ATOM 209 CA LEU A 15 2.912 6.846 -4.933 1.00 0.00 C ATOM 210 C LEU A 15 4.026 6.093 -5.649 1.00 0.00 C ATOM 211 O LEU A 15 4.007 4.863 -5.717 1.00 0.00 O ATOM 212 CB LEU A 15 1.876 7.350 -5.943 1.00 0.00 C ATOM 213 CG LEU A 15 0.418 7.052 -5.580 1.00 0.00 C ATOM 214 CD1 LEU A 15 -0.265 8.289 -5.014 1.00 0.00 C ATOM 215 CD2 LEU A 15 -0.338 6.532 -6.796 1.00 0.00 C ATOM 0 H LEU A 15 3.204 8.883 -4.536 1.00 0.00 H new ATOM 0 HA LEU A 15 2.428 6.156 -4.241 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.994 8.428 -6.054 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.091 6.904 -6.914 1.00 0.00 H new ATOM 0 HG LEU A 15 0.410 6.280 -4.811 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.299 8.051 -4.764 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.260 8.615 -4.116 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.245 9.087 -5.756 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.372 6.325 -6.520 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.316 7.282 -7.586 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.133 5.616 -7.153 1.00 0.00 H new ATOM 227 N LYS A 16 4.997 6.826 -6.187 1.00 0.00 N ATOM 228 CA LYS A 16 6.109 6.206 -6.896 1.00 0.00 C ATOM 229 C LYS A 16 6.896 5.292 -5.966 1.00 0.00 C ATOM 230 O LYS A 16 7.108 4.117 -6.267 1.00 0.00 O ATOM 231 CB LYS A 16 7.030 7.280 -7.479 1.00 0.00 C ATOM 232 CG LYS A 16 8.232 6.719 -8.221 1.00 0.00 C ATOM 233 CD LYS A 16 9.450 7.613 -8.060 1.00 0.00 C ATOM 234 CE LYS A 16 10.735 6.876 -8.404 1.00 0.00 C ATOM 235 NZ LYS A 16 11.582 7.649 -9.353 1.00 0.00 N ATOM 0 H LYS A 16 5.035 7.844 -6.145 1.00 0.00 H new ATOM 0 HA LYS A 16 5.704 5.606 -7.711 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.455 7.908 -8.160 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.381 7.923 -6.671 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.459 5.721 -7.846 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.992 6.615 -9.279 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.348 8.487 -8.703 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.502 7.977 -7.034 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.298 6.682 -7.491 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.492 5.907 -8.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.448 7.112 -9.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.055 7.813 -10.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.836 8.563 -8.927 1.00 0.00 H new ATOM 249 N GLU A 17 7.318 5.838 -4.831 1.00 0.00 N ATOM 250 CA GLU A 17 8.074 5.066 -3.855 1.00 0.00 C ATOM 251 C GLU A 17 7.256 3.875 -3.372 1.00 0.00 C ATOM 252 O GLU A 17 7.788 2.782 -3.166 1.00 0.00 O ATOM 253 CB GLU A 17 8.465 5.944 -2.666 1.00 0.00 C ATOM 254 CG GLU A 17 9.524 6.983 -2.997 1.00 0.00 C ATOM 255 CD GLU A 17 9.797 7.924 -1.842 1.00 0.00 C ATOM 256 OE1 GLU A 17 10.649 7.589 -0.992 1.00 0.00 O ATOM 257 OE2 GLU A 17 9.160 8.997 -1.785 1.00 0.00 O ATOM 0 H GLU A 17 7.150 6.808 -4.566 1.00 0.00 H new ATOM 0 HA GLU A 17 8.981 4.700 -4.336 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.576 6.451 -2.292 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.832 5.308 -1.861 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.449 6.478 -3.276 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.203 7.561 -3.864 1.00 0.00 H new ATOM 264 N PHE A 18 5.957 4.095 -3.197 1.00 0.00 N ATOM 265 CA PHE A 18 5.065 3.039 -2.740 1.00 0.00 C ATOM 266 C PHE A 18 5.023 1.888 -3.732 1.00 0.00 C ATOM 267 O PHE A 18 5.122 0.724 -3.348 1.00 0.00 O ATOM 268 CB PHE A 18 3.657 3.585 -2.514 1.00 0.00 C ATOM 269 CG PHE A 18 2.886 2.823 -1.476 1.00 0.00 C ATOM 270 CD1 PHE A 18 2.976 3.167 -0.137 1.00 0.00 C ATOM 271 CD2 PHE A 18 2.073 1.760 -1.838 1.00 0.00 C ATOM 272 CE1 PHE A 18 2.270 2.467 0.821 1.00 0.00 C ATOM 273 CE2 PHE A 18 1.364 1.056 -0.884 1.00 0.00 C ATOM 274 CZ PHE A 18 1.463 1.410 0.447 1.00 0.00 C ATOM 0 H PHE A 18 5.501 4.992 -3.364 1.00 0.00 H new ATOM 0 HA PHE A 18 5.454 2.663 -1.794 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.724 4.630 -2.213 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.109 3.559 -3.456 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.606 3.992 0.161 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.993 1.479 -2.878 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.349 2.745 1.862 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.733 0.230 -1.179 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.910 0.861 1.195 1.00 0.00 H new ATOM 284 N SER A 19 4.872 2.212 -5.011 1.00 0.00 N ATOM 285 CA SER A 19 4.812 1.195 -6.051 1.00 0.00 C ATOM 286 C SER A 19 6.105 0.390 -6.109 1.00 0.00 C ATOM 287 O SER A 19 6.076 -0.831 -6.252 1.00 0.00 O ATOM 288 CB SER A 19 4.543 1.846 -7.410 1.00 0.00 C ATOM 289 OG SER A 19 5.546 2.795 -7.730 1.00 0.00 O ATOM 0 H SER A 19 4.789 3.170 -5.351 1.00 0.00 H new ATOM 0 HA SER A 19 3.996 0.514 -5.809 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.505 1.078 -8.183 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.568 2.333 -7.396 1.00 0.00 H new ATOM 0 HG SER A 19 5.911 3.176 -6.904 1.00 0.00 H new ATOM 295 N VAL A 20 7.237 1.073 -5.978 1.00 0.00 N ATOM 296 CA VAL A 20 8.532 0.398 -6.001 1.00 0.00 C ATOM 297 C VAL A 20 8.654 -0.526 -4.798 1.00 0.00 C ATOM 298 O VAL A 20 9.274 -1.587 -4.869 1.00 0.00 O ATOM 299 CB VAL A 20 9.709 1.396 -5.988 1.00 0.00 C ATOM 300 CG1 VAL A 20 10.972 0.738 -6.523 1.00 0.00 C ATOM 301 CG2 VAL A 20 9.372 2.645 -6.789 1.00 0.00 C ATOM 0 H VAL A 20 7.286 2.084 -5.856 1.00 0.00 H new ATOM 0 HA VAL A 20 8.582 -0.173 -6.928 1.00 0.00 H new ATOM 0 HB VAL A 20 9.888 1.697 -4.956 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.792 1.456 -6.507 1.00 0.00 H new ATOM 0 HG12 VAL A 20 11.228 -0.119 -5.900 1.00 0.00 H new ATOM 0 HG13 VAL A 20 10.803 0.404 -7.547 1.00 0.00 H new ATOM 0 HG21 VAL A 20 10.218 3.332 -6.764 1.00 0.00 H new ATOM 0 HG22 VAL A 20 9.159 2.369 -7.822 1.00 0.00 H new ATOM 0 HG23 VAL A 20 8.497 3.130 -6.356 1.00 0.00 H new ATOM 311 N LEU A 21 8.041 -0.111 -3.698 1.00 0.00 N ATOM 312 CA LEU A 21 8.052 -0.894 -2.469 1.00 0.00 C ATOM 313 C LEU A 21 7.272 -2.192 -2.663 1.00 0.00 C ATOM 314 O LEU A 21 7.717 -3.266 -2.260 1.00 0.00 O ATOM 315 CB LEU A 21 7.454 -0.078 -1.317 1.00 0.00 C ATOM 316 CG LEU A 21 7.055 -0.882 -0.076 1.00 0.00 C ATOM 317 CD1 LEU A 21 8.229 -1.706 0.431 1.00 0.00 C ATOM 318 CD2 LEU A 21 6.543 0.047 1.014 1.00 0.00 C ATOM 0 H LEU A 21 7.527 0.768 -3.631 1.00 0.00 H new ATOM 0 HA LEU A 21 9.084 -1.143 -2.220 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.177 0.681 -1.019 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.573 0.448 -1.686 1.00 0.00 H new ATOM 0 HG LEU A 21 6.253 -1.567 -0.352 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.924 -2.269 1.313 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.552 -2.397 -0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.054 -1.043 0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.263 -0.539 1.890 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.326 0.755 1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.672 0.592 0.649 1.00 0.00 H new ATOM 330 N LEU A 22 6.097 -2.078 -3.276 1.00 0.00 N ATOM 331 CA LEU A 22 5.241 -3.235 -3.519 1.00 0.00 C ATOM 332 C LEU A 22 5.814 -4.145 -4.605 1.00 0.00 C ATOM 333 O LEU A 22 5.841 -5.364 -4.451 1.00 0.00 O ATOM 334 CB LEU A 22 3.836 -2.777 -3.919 1.00 0.00 C ATOM 335 CG LEU A 22 3.209 -1.730 -2.996 1.00 0.00 C ATOM 336 CD1 LEU A 22 2.123 -0.957 -3.727 1.00 0.00 C ATOM 337 CD2 LEU A 22 2.649 -2.390 -1.746 1.00 0.00 C ATOM 0 H LEU A 22 5.716 -1.194 -3.614 1.00 0.00 H new ATOM 0 HA LEU A 22 5.191 -3.806 -2.592 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.877 -2.371 -4.930 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.182 -3.648 -3.952 1.00 0.00 H new ATOM 0 HG LEU A 22 3.985 -1.027 -2.694 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.688 -0.217 -3.055 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.555 -0.453 -4.592 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.346 -1.646 -4.059 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.207 -1.631 -1.101 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.886 -3.115 -2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.452 -2.897 -1.212 1.00 0.00 H new ATOM 349 N ASN A 23 6.259 -3.551 -5.710 1.00 0.00 N ATOM 350 CA ASN A 23 6.814 -4.321 -6.822 1.00 0.00 C ATOM 351 C ASN A 23 8.049 -5.111 -6.400 1.00 0.00 C ATOM 352 O ASN A 23 8.228 -6.260 -6.805 1.00 0.00 O ATOM 353 CB ASN A 23 7.173 -3.396 -7.988 1.00 0.00 C ATOM 354 CG ASN A 23 6.043 -2.458 -8.366 1.00 0.00 C ATOM 355 OD1 ASN A 23 6.276 -1.303 -8.723 1.00 0.00 O ATOM 356 ND2 ASN A 23 4.811 -2.947 -8.289 1.00 0.00 N ATOM 0 H ASN A 23 6.247 -2.542 -5.860 1.00 0.00 H new ATOM 0 HA ASN A 23 6.048 -5.028 -7.140 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.052 -2.809 -7.722 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.443 -4.000 -8.855 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.013 -2.359 -8.531 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.663 -3.910 -7.988 1.00 0.00 H new ATOM 363 N GLN A 24 8.910 -4.486 -5.606 1.00 0.00 N ATOM 364 CA GLN A 24 10.141 -5.128 -5.155 1.00 0.00 C ATOM 365 C GLN A 24 9.891 -6.192 -4.084 1.00 0.00 C ATOM 366 O GLN A 24 10.838 -6.775 -3.556 1.00 0.00 O ATOM 367 CB GLN A 24 11.122 -4.079 -4.628 1.00 0.00 C ATOM 368 CG GLN A 24 10.663 -3.402 -3.345 1.00 0.00 C ATOM 369 CD GLN A 24 11.347 -2.069 -3.112 1.00 0.00 C ATOM 370 OE1 GLN A 24 11.620 -1.325 -4.054 1.00 0.00 O ATOM 371 NE2 GLN A 24 11.627 -1.760 -1.852 1.00 0.00 N ATOM 0 H GLN A 24 8.779 -3.535 -5.261 1.00 0.00 H new ATOM 0 HA GLN A 24 10.571 -5.634 -6.020 1.00 0.00 H new ATOM 0 HB2 GLN A 24 12.088 -4.553 -4.453 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.274 -3.319 -5.395 1.00 0.00 H new ATOM 0 HG2 GLN A 24 9.584 -3.251 -3.384 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.862 -4.061 -2.500 1.00 0.00 H new ATOM 0 HE21 GLN A 24 11.383 -2.407 -1.102 1.00 0.00 H new ATOM 0 HE22 GLN A 24 12.086 -0.876 -1.634 1.00 0.00 H new ATOM 380 N GLN A 25 8.626 -6.458 -3.769 1.00 0.00 N ATOM 381 CA GLN A 25 8.299 -7.468 -2.770 1.00 0.00 C ATOM 382 C GLN A 25 8.701 -8.854 -3.271 1.00 0.00 C ATOM 383 O GLN A 25 9.174 -8.998 -4.399 1.00 0.00 O ATOM 384 CB GLN A 25 6.808 -7.433 -2.435 1.00 0.00 C ATOM 385 CG GLN A 25 6.449 -6.410 -1.370 1.00 0.00 C ATOM 386 CD GLN A 25 7.267 -6.573 -0.103 1.00 0.00 C ATOM 387 OE1 GLN A 25 8.390 -6.080 -0.009 1.00 0.00 O ATOM 388 NE2 GLN A 25 6.705 -7.269 0.879 1.00 0.00 N ATOM 0 H GLN A 25 7.820 -5.993 -4.186 1.00 0.00 H new ATOM 0 HA GLN A 25 8.858 -7.249 -1.860 1.00 0.00 H new ATOM 0 HB2 GLN A 25 6.245 -7.214 -3.342 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.496 -8.421 -2.098 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.601 -5.407 -1.769 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.390 -6.500 -1.128 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.771 -7.660 0.757 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.208 -7.412 1.755 1.00 0.00 H new ATOM 397 N VAL A 26 8.525 -9.868 -2.432 1.00 0.00 N ATOM 398 CA VAL A 26 8.887 -11.232 -2.804 1.00 0.00 C ATOM 399 C VAL A 26 7.665 -12.053 -3.204 1.00 0.00 C ATOM 400 O VAL A 26 6.771 -12.290 -2.391 1.00 0.00 O ATOM 401 CB VAL A 26 9.619 -11.954 -1.656 1.00 0.00 C ATOM 402 CG1 VAL A 26 10.164 -13.293 -2.130 1.00 0.00 C ATOM 403 CG2 VAL A 26 10.735 -11.082 -1.098 1.00 0.00 C ATOM 0 H VAL A 26 8.136 -9.773 -1.494 1.00 0.00 H new ATOM 0 HA VAL A 26 9.554 -11.148 -3.662 1.00 0.00 H new ATOM 0 HB VAL A 26 8.904 -12.141 -0.855 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.678 -13.789 -1.306 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.341 -13.920 -2.474 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.864 -13.131 -2.950 1.00 0.00 H new ATOM 0 HG21 VAL A 26 11.239 -11.610 -0.289 1.00 0.00 H new ATOM 0 HG22 VAL A 26 11.452 -10.859 -1.888 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.314 -10.152 -0.717 1.00 0.00 H new ATOM 413 N PHE A 27 7.641 -12.499 -4.459 1.00 0.00 N ATOM 414 CA PHE A 27 6.535 -13.309 -4.962 1.00 0.00 C ATOM 415 C PHE A 27 7.049 -14.435 -5.854 1.00 0.00 C ATOM 416 O PHE A 27 7.101 -14.297 -7.077 1.00 0.00 O ATOM 417 CB PHE A 27 5.540 -12.449 -5.744 1.00 0.00 C ATOM 418 CG PHE A 27 5.093 -11.215 -5.015 1.00 0.00 C ATOM 419 CD1 PHE A 27 4.199 -11.306 -3.958 1.00 0.00 C ATOM 420 CD2 PHE A 27 5.558 -9.964 -5.389 1.00 0.00 C ATOM 421 CE1 PHE A 27 3.781 -10.173 -3.288 1.00 0.00 C ATOM 422 CE2 PHE A 27 5.141 -8.828 -4.725 1.00 0.00 C ATOM 423 CZ PHE A 27 4.251 -8.933 -3.672 1.00 0.00 C ATOM 0 H PHE A 27 8.374 -12.313 -5.144 1.00 0.00 H new ATOM 0 HA PHE A 27 6.026 -13.743 -4.101 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.995 -12.155 -6.690 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.665 -13.053 -5.985 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.826 -12.273 -3.656 1.00 0.00 H new ATOM 0 HD2 PHE A 27 6.255 -9.877 -6.210 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.087 -10.257 -2.465 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.509 -7.859 -5.027 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.924 -8.046 -3.150 1.00 0.00 H new ATOM 433 N ASN A 28 7.417 -15.551 -5.235 1.00 0.00 N ATOM 434 CA ASN A 28 7.916 -16.712 -5.966 1.00 0.00 C ATOM 435 C ASN A 28 7.633 -17.984 -5.177 1.00 0.00 C ATOM 436 O ASN A 28 6.962 -18.896 -5.660 1.00 0.00 O ATOM 437 CB ASN A 28 9.418 -16.581 -6.236 1.00 0.00 C ATOM 438 CG ASN A 28 10.171 -15.953 -5.078 1.00 0.00 C ATOM 439 OD1 ASN A 28 10.025 -14.764 -4.799 1.00 0.00 O ATOM 440 ND2 ASN A 28 10.982 -16.754 -4.397 1.00 0.00 N ATOM 0 H ASN A 28 7.379 -15.677 -4.224 1.00 0.00 H new ATOM 0 HA ASN A 28 7.400 -16.764 -6.925 1.00 0.00 H new ATOM 0 HB2 ASN A 28 9.833 -17.568 -6.441 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.570 -15.979 -7.132 1.00 0.00 H new ATOM 0 HD21 ASN A 28 11.514 -16.389 -3.607 1.00 0.00 H new ATOM 0 HD22 ASN A 28 11.072 -17.734 -4.664 1.00 0.00 H new ATOM 447 N ASP A 29 8.134 -18.020 -3.951 1.00 0.00 N ATOM 448 CA ASP A 29 7.930 -19.158 -3.064 1.00 0.00 C ATOM 449 C ASP A 29 7.346 -18.688 -1.736 1.00 0.00 C ATOM 450 O ASP A 29 8.062 -18.153 -0.891 1.00 0.00 O ATOM 451 CB ASP A 29 9.249 -19.899 -2.829 1.00 0.00 C ATOM 452 CG ASP A 29 9.387 -21.126 -3.709 1.00 0.00 C ATOM 453 OD1 ASP A 29 9.511 -20.962 -4.941 1.00 0.00 O ATOM 454 OD2 ASP A 29 9.370 -22.251 -3.167 1.00 0.00 O ATOM 0 H ASP A 29 8.690 -17.268 -3.544 1.00 0.00 H new ATOM 0 HA ASP A 29 7.228 -19.845 -3.536 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.082 -19.222 -3.020 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.314 -20.197 -1.782 1.00 0.00 H new ATOM 459 N ALA A 30 6.033 -18.835 -1.579 1.00 0.00 N ATOM 460 CA ALA A 30 5.355 -18.365 -0.375 1.00 0.00 C ATOM 461 C ALA A 30 5.669 -19.233 0.840 1.00 0.00 C ATOM 462 O ALA A 30 5.138 -20.331 1.003 1.00 0.00 O ATOM 463 CB ALA A 30 3.852 -18.312 -0.612 1.00 0.00 C ATOM 0 H ALA A 30 5.420 -19.273 -2.267 1.00 0.00 H new ATOM 0 HA ALA A 30 5.726 -17.363 -0.159 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.353 -17.960 0.291 1.00 0.00 H new ATOM 0 HB2 ALA A 30 3.637 -17.629 -1.434 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.488 -19.308 -0.863 1.00 0.00 H new ATOM 469 N LEU A 31 6.548 -18.702 1.684 1.00 0.00 N ATOM 470 CA LEU A 31 6.974 -19.383 2.903 1.00 0.00 C ATOM 471 C LEU A 31 6.450 -18.660 4.141 1.00 0.00 C ATOM 472 O LEU A 31 5.840 -19.270 5.019 1.00 0.00 O ATOM 473 CB LEU A 31 8.504 -19.476 2.963 1.00 0.00 C ATOM 474 CG LEU A 31 9.237 -19.131 1.661 1.00 0.00 C ATOM 475 CD1 LEU A 31 9.453 -17.628 1.550 1.00 0.00 C ATOM 476 CD2 LEU A 31 10.566 -19.869 1.586 1.00 0.00 C ATOM 0 H LEU A 31 6.984 -17.791 1.544 1.00 0.00 H new ATOM 0 HA LEU A 31 6.559 -20.391 2.886 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.861 -18.809 3.748 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.778 -20.489 3.256 1.00 0.00 H new ATOM 0 HG LEU A 31 8.618 -19.451 0.823 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.975 -17.403 0.620 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.488 -17.120 1.557 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.051 -17.283 2.394 1.00 0.00 H new ATOM 0 HD21 LEU A 31 11.073 -19.612 0.656 1.00 0.00 H new ATOM 0 HD22 LEU A 31 11.191 -19.580 2.431 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.388 -20.944 1.617 1.00 0.00 H new ATOM 488 N VAL A 32 6.698 -17.359 4.201 1.00 0.00 N ATOM 489 CA VAL A 32 6.260 -16.542 5.329 1.00 0.00 C ATOM 490 C VAL A 32 4.738 -16.545 5.457 1.00 0.00 C ATOM 491 O VAL A 32 4.025 -16.842 4.499 1.00 0.00 O ATOM 492 CB VAL A 32 6.757 -15.088 5.194 1.00 0.00 C ATOM 493 CG1 VAL A 32 6.188 -14.438 3.941 1.00 0.00 C ATOM 494 CG2 VAL A 32 6.401 -14.281 6.435 1.00 0.00 C ATOM 0 H VAL A 32 7.202 -16.843 3.480 1.00 0.00 H new ATOM 0 HA VAL A 32 6.693 -16.983 6.227 1.00 0.00 H new ATOM 0 HB VAL A 32 7.843 -15.105 5.101 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.551 -13.413 3.866 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.505 -15.001 3.063 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.099 -14.434 3.996 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.760 -13.258 6.320 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.319 -14.273 6.566 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.869 -14.733 7.310 1.00 0.00 H new ATOM 504 N SER A 33 4.249 -16.212 6.648 1.00 0.00 N ATOM 505 CA SER A 33 2.813 -16.175 6.906 1.00 0.00 C ATOM 506 C SER A 33 2.168 -14.957 6.253 1.00 0.00 C ATOM 507 O SER A 33 2.853 -14.004 5.880 1.00 0.00 O ATOM 508 CB SER A 33 2.546 -16.162 8.412 1.00 0.00 C ATOM 509 OG SER A 33 2.825 -17.425 8.991 1.00 0.00 O ATOM 0 H SER A 33 4.827 -15.964 7.451 1.00 0.00 H new ATOM 0 HA SER A 33 2.370 -17.071 6.471 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.161 -15.397 8.887 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.506 -15.895 8.598 1.00 0.00 H new ATOM 0 HG SER A 33 2.648 -17.390 9.954 1.00 0.00 H new ATOM 515 N GLU A 34 0.845 -14.995 6.118 1.00 0.00 N ATOM 516 CA GLU A 34 0.106 -13.892 5.510 1.00 0.00 C ATOM 517 C GLU A 34 0.014 -12.708 6.464 1.00 0.00 C ATOM 518 O GLU A 34 0.135 -11.555 6.051 1.00 0.00 O ATOM 519 CB GLU A 34 -1.303 -14.338 5.105 1.00 0.00 C ATOM 520 CG GLU A 34 -1.988 -15.228 6.130 1.00 0.00 C ATOM 521 CD GLU A 34 -3.480 -15.347 5.897 1.00 0.00 C ATOM 522 OE1 GLU A 34 -4.167 -14.304 5.910 1.00 0.00 O ATOM 523 OE2 GLU A 34 -3.963 -16.481 5.699 1.00 0.00 O ATOM 0 H GLU A 34 0.263 -15.776 6.421 1.00 0.00 H new ATOM 0 HA GLU A 34 0.650 -13.583 4.617 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.919 -13.454 4.937 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.246 -14.871 4.156 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.539 -16.221 6.100 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.811 -14.828 7.128 1.00 0.00 H new ATOM 530 N GLU A 35 -0.207 -13.001 7.739 1.00 0.00 N ATOM 531 CA GLU A 35 -0.323 -11.960 8.752 1.00 0.00 C ATOM 532 C GLU A 35 0.942 -11.115 8.819 1.00 0.00 C ATOM 533 O GLU A 35 0.879 -9.915 9.081 1.00 0.00 O ATOM 534 CB GLU A 35 -0.615 -12.576 10.121 1.00 0.00 C ATOM 535 CG GLU A 35 -1.922 -13.349 10.175 1.00 0.00 C ATOM 536 CD GLU A 35 -2.821 -12.897 11.309 1.00 0.00 C ATOM 537 OE1 GLU A 35 -2.406 -13.019 12.482 1.00 0.00 O ATOM 538 OE2 GLU A 35 -3.941 -12.419 11.026 1.00 0.00 O ATOM 0 H GLU A 35 -0.310 -13.951 8.096 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.153 -11.312 8.471 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.203 -13.243 10.392 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.640 -11.783 10.869 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.450 -13.230 9.229 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.707 -14.412 10.288 1.00 0.00 H new ATOM 545 N ASP A 36 2.089 -11.740 8.577 1.00 0.00 N ATOM 546 CA ASP A 36 3.354 -11.019 8.608 1.00 0.00 C ATOM 547 C ASP A 36 3.373 -9.957 7.519 1.00 0.00 C ATOM 548 O ASP A 36 3.551 -8.769 7.798 1.00 0.00 O ATOM 549 CB ASP A 36 4.529 -11.982 8.431 1.00 0.00 C ATOM 550 CG ASP A 36 5.737 -11.578 9.253 1.00 0.00 C ATOM 551 OD1 ASP A 36 5.796 -11.946 10.445 1.00 0.00 O ATOM 552 OD2 ASP A 36 6.627 -10.893 8.705 1.00 0.00 O ATOM 0 H ASP A 36 2.168 -12.733 8.360 1.00 0.00 H new ATOM 0 HA ASP A 36 3.454 -10.533 9.579 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.218 -12.987 8.717 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.807 -12.022 7.378 1.00 0.00 H new ATOM 557 N MET A 37 3.159 -10.384 6.280 1.00 0.00 N ATOM 558 CA MET A 37 3.123 -9.455 5.162 1.00 0.00 C ATOM 559 C MET A 37 2.039 -8.418 5.409 1.00 0.00 C ATOM 560 O MET A 37 2.256 -7.218 5.242 1.00 0.00 O ATOM 561 CB MET A 37 2.851 -10.199 3.854 1.00 0.00 C ATOM 562 CG MET A 37 2.940 -9.315 2.619 1.00 0.00 C ATOM 563 SD MET A 37 4.352 -9.717 1.572 1.00 0.00 S ATOM 564 CE MET A 37 5.710 -9.285 2.655 1.00 0.00 C ATOM 0 H MET A 37 3.009 -11.361 6.027 1.00 0.00 H new ATOM 0 HA MET A 37 4.090 -8.960 5.077 1.00 0.00 H new ATOM 0 HB2 MET A 37 3.564 -11.017 3.757 1.00 0.00 H new ATOM 0 HB3 MET A 37 1.858 -10.646 3.900 1.00 0.00 H new ATOM 0 HG2 MET A 37 2.023 -9.416 2.039 1.00 0.00 H new ATOM 0 HG3 MET A 37 3.008 -8.272 2.928 1.00 0.00 H new ATOM 0 HE1 MET A 37 6.655 -9.495 2.155 1.00 0.00 H new ATOM 0 HE2 MET A 37 5.657 -8.224 2.900 1.00 0.00 H new ATOM 0 HE3 MET A 37 5.646 -9.873 3.571 1.00 0.00 H new ATOM 574 N VAL A 38 0.855 -8.901 5.786 1.00 0.00 N ATOM 575 CA VAL A 38 -0.278 -8.026 6.030 1.00 0.00 C ATOM 576 C VAL A 38 0.062 -6.971 7.076 1.00 0.00 C ATOM 577 O VAL A 38 -0.248 -5.794 6.888 1.00 0.00 O ATOM 578 CB VAL A 38 -1.508 -8.833 6.496 1.00 0.00 C ATOM 579 CG1 VAL A 38 -2.678 -7.916 6.824 1.00 0.00 C ATOM 580 CG2 VAL A 38 -1.904 -9.855 5.439 1.00 0.00 C ATOM 0 H VAL A 38 0.662 -9.892 5.927 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.515 -7.529 5.089 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.237 -9.364 7.409 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.529 -8.514 7.149 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.391 -7.230 7.621 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.953 -7.346 5.937 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.773 -10.416 5.783 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.148 -9.341 4.509 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.074 -10.541 5.267 1.00 0.00 H new ATOM 590 N THR A 39 0.709 -7.368 8.171 1.00 0.00 N ATOM 591 CA THR A 39 1.078 -6.408 9.203 1.00 0.00 C ATOM 592 C THR A 39 2.060 -5.388 8.644 1.00 0.00 C ATOM 593 O THR A 39 2.045 -4.219 9.028 1.00 0.00 O ATOM 594 CB THR A 39 1.696 -7.127 10.404 1.00 0.00 C ATOM 595 OG1 THR A 39 0.795 -8.083 10.934 1.00 0.00 O ATOM 596 CG2 THR A 39 2.084 -6.190 11.528 1.00 0.00 C ATOM 0 H THR A 39 0.983 -8.332 8.362 1.00 0.00 H new ATOM 0 HA THR A 39 0.178 -5.889 9.532 1.00 0.00 H new ATOM 0 HB THR A 39 2.599 -7.604 10.022 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.882 -8.924 10.439 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.516 -6.764 12.348 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.817 -5.469 11.164 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.199 -5.661 11.882 1.00 0.00 H new ATOM 604 N VAL A 40 2.909 -5.839 7.723 1.00 0.00 N ATOM 605 CA VAL A 40 3.895 -4.965 7.101 1.00 0.00 C ATOM 606 C VAL A 40 3.218 -3.911 6.233 1.00 0.00 C ATOM 607 O VAL A 40 3.549 -2.727 6.305 1.00 0.00 O ATOM 608 CB VAL A 40 4.888 -5.766 6.236 1.00 0.00 C ATOM 609 CG1 VAL A 40 6.006 -4.866 5.732 1.00 0.00 C ATOM 610 CG2 VAL A 40 5.451 -6.947 7.018 1.00 0.00 C ATOM 0 H VAL A 40 2.932 -6.804 7.393 1.00 0.00 H new ATOM 0 HA VAL A 40 4.441 -4.475 7.907 1.00 0.00 H new ATOM 0 HB VAL A 40 4.352 -6.158 5.371 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.697 -5.450 5.123 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.582 -4.062 5.130 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.541 -4.440 6.581 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.150 -7.499 6.390 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.970 -6.582 7.904 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.636 -7.605 7.320 1.00 0.00 H new ATOM 620 N VAL A 41 2.267 -4.346 5.410 1.00 0.00 N ATOM 621 CA VAL A 41 1.543 -3.434 4.531 1.00 0.00 C ATOM 622 C VAL A 41 0.819 -2.360 5.335 1.00 0.00 C ATOM 623 O VAL A 41 1.011 -1.167 5.105 1.00 0.00 O ATOM 624 CB VAL A 41 0.518 -4.185 3.655 1.00 0.00 C ATOM 625 CG1 VAL A 41 -0.172 -3.227 2.693 1.00 0.00 C ATOM 626 CG2 VAL A 41 1.191 -5.320 2.897 1.00 0.00 C ATOM 0 H VAL A 41 1.981 -5.322 5.334 1.00 0.00 H new ATOM 0 HA VAL A 41 2.284 -2.965 3.883 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.241 -4.615 4.308 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.890 -3.777 2.085 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.692 -2.454 3.259 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.572 -2.763 2.045 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.452 -5.837 2.285 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.974 -4.915 2.256 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.630 -6.021 3.607 1.00 0.00 H new ATOM 636 N GLU A 42 -0.010 -2.790 6.282 1.00 0.00 N ATOM 637 CA GLU A 42 -0.757 -1.861 7.122 1.00 0.00 C ATOM 638 C GLU A 42 0.191 -0.931 7.871 1.00 0.00 C ATOM 639 O GLU A 42 -0.084 0.258 8.030 1.00 0.00 O ATOM 640 CB GLU A 42 -1.632 -2.626 8.118 1.00 0.00 C ATOM 641 CG GLU A 42 -3.099 -2.228 8.071 1.00 0.00 C ATOM 642 CD GLU A 42 -3.990 -3.346 7.567 1.00 0.00 C ATOM 643 OE1 GLU A 42 -3.945 -4.450 8.149 1.00 0.00 O ATOM 644 OE2 GLU A 42 -4.736 -3.117 6.591 1.00 0.00 O ATOM 0 H GLU A 42 -0.181 -3.775 6.486 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.398 -1.260 6.477 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.547 -3.694 7.917 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.251 -2.460 9.126 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.423 -1.931 9.068 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.215 -1.357 7.426 1.00 0.00 H new ATOM 651 N ASP A 43 1.310 -1.485 8.326 1.00 0.00 N ATOM 652 CA ASP A 43 2.301 -0.707 9.056 1.00 0.00 C ATOM 653 C ASP A 43 2.811 0.451 8.208 1.00 0.00 C ATOM 654 O ASP A 43 2.946 1.573 8.694 1.00 0.00 O ATOM 655 CB ASP A 43 3.470 -1.598 9.482 1.00 0.00 C ATOM 656 CG ASP A 43 4.413 -0.895 10.439 1.00 0.00 C ATOM 657 OD1 ASP A 43 4.061 -0.764 11.630 1.00 0.00 O ATOM 658 OD2 ASP A 43 5.502 -0.472 9.997 1.00 0.00 O ATOM 0 H ASP A 43 1.552 -2.468 8.202 1.00 0.00 H new ATOM 0 HA ASP A 43 1.823 -0.300 9.947 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.082 -2.500 9.955 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.023 -1.915 8.598 1.00 0.00 H new ATOM 663 N TRP A 44 3.095 0.177 6.939 1.00 0.00 N ATOM 664 CA TRP A 44 3.589 1.208 6.037 1.00 0.00 C ATOM 665 C TRP A 44 2.514 2.257 5.776 1.00 0.00 C ATOM 666 O TRP A 44 2.771 3.457 5.867 1.00 0.00 O ATOM 667 CB TRP A 44 4.033 0.582 4.713 1.00 0.00 C ATOM 668 CG TRP A 44 5.262 -0.264 4.835 1.00 0.00 C ATOM 669 CD1 TRP A 44 6.264 -0.129 5.752 1.00 0.00 C ATOM 670 CD2 TRP A 44 5.621 -1.378 4.008 1.00 0.00 C ATOM 671 NE1 TRP A 44 7.224 -1.090 5.548 1.00 0.00 N ATOM 672 CE2 TRP A 44 6.852 -1.870 4.483 1.00 0.00 C ATOM 673 CE3 TRP A 44 5.021 -2.006 2.915 1.00 0.00 C ATOM 674 CZ2 TRP A 44 7.492 -2.960 3.900 1.00 0.00 C ATOM 675 CZ3 TRP A 44 5.657 -3.090 2.337 1.00 0.00 C ATOM 676 CH2 TRP A 44 6.881 -3.556 2.831 1.00 0.00 C ATOM 0 H TRP A 44 2.992 -0.745 6.515 1.00 0.00 H new ATOM 0 HA TRP A 44 4.443 1.694 6.509 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.220 -0.027 4.318 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.218 1.376 3.989 1.00 0.00 H new ATOM 0 HD1 TRP A 44 6.297 0.624 6.526 1.00 0.00 H new ATOM 0 HE1 TRP A 44 8.075 -1.205 6.099 1.00 0.00 H new ATOM 0 HE3 TRP A 44 4.077 -1.652 2.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 8.437 -3.322 4.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 5.202 -3.584 1.491 1.00 0.00 H new ATOM 0 HH2 TRP A 44 7.353 -4.404 2.358 1.00 0.00 H new ATOM 687 N MET A 45 1.312 1.800 5.437 1.00 0.00 N ATOM 688 CA MET A 45 0.203 2.705 5.148 1.00 0.00 C ATOM 689 C MET A 45 -0.046 3.664 6.302 1.00 0.00 C ATOM 690 O MET A 45 -0.166 4.872 6.103 1.00 0.00 O ATOM 691 CB MET A 45 -1.082 1.923 4.854 1.00 0.00 C ATOM 692 CG MET A 45 -0.860 0.623 4.099 1.00 0.00 C ATOM 693 SD MET A 45 -2.064 0.370 2.780 1.00 0.00 S ATOM 694 CE MET A 45 -3.535 -0.002 3.730 1.00 0.00 C ATOM 0 H MET A 45 1.081 0.810 5.356 1.00 0.00 H new ATOM 0 HA MET A 45 0.483 3.281 4.266 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.583 1.702 5.796 1.00 0.00 H new ATOM 0 HB3 MET A 45 -1.755 2.556 4.276 1.00 0.00 H new ATOM 0 HG2 MET A 45 0.144 0.621 3.674 1.00 0.00 H new ATOM 0 HG3 MET A 45 -0.912 -0.212 4.798 1.00 0.00 H new ATOM 0 HE1 MET A 45 -4.369 -0.183 3.053 1.00 0.00 H new ATOM 0 HE2 MET A 45 -3.361 -0.890 4.337 1.00 0.00 H new ATOM 0 HE3 MET A 45 -3.771 0.841 4.380 1.00 0.00 H new ATOM 704 N ASN A 46 -0.129 3.121 7.508 1.00 0.00 N ATOM 705 CA ASN A 46 -0.372 3.935 8.691 1.00 0.00 C ATOM 706 C ASN A 46 0.797 4.883 8.943 1.00 0.00 C ATOM 707 O ASN A 46 0.601 6.053 9.272 1.00 0.00 O ATOM 708 CB ASN A 46 -0.642 3.034 9.909 1.00 0.00 C ATOM 709 CG ASN A 46 0.526 2.945 10.878 1.00 0.00 C ATOM 710 OD1 ASN A 46 1.628 2.543 10.508 1.00 0.00 O ATOM 711 ND2 ASN A 46 0.285 3.318 12.129 1.00 0.00 N ATOM 0 H ASN A 46 -0.032 2.123 7.693 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.258 4.547 8.522 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -1.515 3.411 10.441 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -0.889 2.032 9.560 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.029 3.277 12.826 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -0.644 3.645 12.394 1.00 0.00 H new ATOM 718 N PHE A 47 2.012 4.373 8.777 1.00 0.00 N ATOM 719 CA PHE A 47 3.206 5.179 8.979 1.00 0.00 C ATOM 720 C PHE A 47 3.276 6.290 7.937 1.00 0.00 C ATOM 721 O PHE A 47 3.760 7.387 8.212 1.00 0.00 O ATOM 722 CB PHE A 47 4.459 4.305 8.899 1.00 0.00 C ATOM 723 CG PHE A 47 5.730 5.049 9.192 1.00 0.00 C ATOM 724 CD1 PHE A 47 6.211 5.141 10.488 1.00 0.00 C ATOM 725 CD2 PHE A 47 6.442 5.657 8.171 1.00 0.00 C ATOM 726 CE1 PHE A 47 7.382 5.825 10.759 1.00 0.00 C ATOM 727 CE2 PHE A 47 7.612 6.342 8.437 1.00 0.00 C ATOM 728 CZ PHE A 47 8.082 6.426 9.732 1.00 0.00 C ATOM 0 H PHE A 47 2.194 3.407 8.504 1.00 0.00 H new ATOM 0 HA PHE A 47 3.156 5.629 9.971 1.00 0.00 H new ATOM 0 HB2 PHE A 47 4.361 3.479 9.603 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.525 3.869 7.902 1.00 0.00 H new ATOM 0 HD1 PHE A 47 5.666 4.674 11.295 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.079 5.595 7.156 1.00 0.00 H new ATOM 0 HE1 PHE A 47 7.748 5.889 11.773 1.00 0.00 H new ATOM 0 HE2 PHE A 47 8.158 6.811 7.632 1.00 0.00 H new ATOM 0 HZ PHE A 47 8.996 6.961 9.942 1.00 0.00 H new ATOM 738 N TYR A 48 2.782 5.995 6.738 1.00 0.00 N ATOM 739 CA TYR A 48 2.783 6.964 5.651 1.00 0.00 C ATOM 740 C TYR A 48 1.818 8.108 5.945 1.00 0.00 C ATOM 741 O TYR A 48 2.188 9.277 5.866 1.00 0.00 O ATOM 742 CB TYR A 48 2.407 6.284 4.333 1.00 0.00 C ATOM 743 CG TYR A 48 3.544 6.226 3.336 1.00 0.00 C ATOM 744 CD1 TYR A 48 4.723 5.555 3.637 1.00 0.00 C ATOM 745 CD2 TYR A 48 3.438 6.844 2.097 1.00 0.00 C ATOM 746 CE1 TYR A 48 5.764 5.502 2.730 1.00 0.00 C ATOM 747 CE2 TYR A 48 4.475 6.794 1.183 1.00 0.00 C ATOM 748 CZ TYR A 48 5.635 6.122 1.505 1.00 0.00 C ATOM 749 OH TYR A 48 6.669 6.071 0.600 1.00 0.00 O ATOM 0 H TYR A 48 2.376 5.091 6.496 1.00 0.00 H new ATOM 0 HA TYR A 48 3.788 7.376 5.562 1.00 0.00 H new ATOM 0 HB2 TYR A 48 2.065 5.270 4.541 1.00 0.00 H new ATOM 0 HB3 TYR A 48 1.569 6.817 3.885 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.827 5.067 4.595 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.531 7.372 1.843 1.00 0.00 H new ATOM 0 HE1 TYR A 48 6.675 4.977 2.979 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.377 7.278 0.223 1.00 0.00 H new ATOM 0 HH TYR A 48 6.416 6.556 -0.213 1.00 0.00 H new ATOM 759 N ILE A 49 0.577 7.766 6.282 1.00 0.00 N ATOM 760 CA ILE A 49 -0.433 8.773 6.583 1.00 0.00 C ATOM 761 C ILE A 49 0.017 9.671 7.734 1.00 0.00 C ATOM 762 O ILE A 49 -0.012 10.896 7.625 1.00 0.00 O ATOM 763 CB ILE A 49 -1.788 8.127 6.939 1.00 0.00 C ATOM 764 CG1 ILE A 49 -2.275 7.249 5.785 1.00 0.00 C ATOM 765 CG2 ILE A 49 -2.824 9.194 7.267 1.00 0.00 C ATOM 766 CD1 ILE A 49 -2.543 8.019 4.511 1.00 0.00 C ATOM 0 H ILE A 49 0.249 6.803 6.353 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.559 9.376 5.684 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.650 7.502 7.821 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.529 6.480 5.585 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.188 6.737 6.089 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.772 8.717 7.515 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.482 9.784 8.117 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.961 9.846 6.404 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.885 7.333 3.736 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.311 8.771 4.695 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.627 8.509 4.183 1.00 0.00 H new ATOM 778 N ASN A 50 0.428 9.053 8.837 1.00 0.00 N ATOM 779 CA ASN A 50 0.879 9.796 10.008 1.00 0.00 C ATOM 780 C ASN A 50 2.067 10.695 9.672 1.00 0.00 C ATOM 781 O ASN A 50 2.152 11.826 10.152 1.00 0.00 O ATOM 782 CB ASN A 50 1.259 8.830 11.132 1.00 0.00 C ATOM 783 CG ASN A 50 0.766 9.299 12.488 1.00 0.00 C ATOM 784 OD1 ASN A 50 1.178 10.348 12.982 1.00 0.00 O ATOM 785 ND2 ASN A 50 -0.120 8.520 13.096 1.00 0.00 N ATOM 0 H ASN A 50 0.458 8.039 8.944 1.00 0.00 H new ATOM 0 HA ASN A 50 0.056 10.430 10.339 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.843 7.846 10.918 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.343 8.719 11.161 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.487 8.783 14.011 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.434 7.659 12.649 1.00 0.00 H new ATOM 792 N TYR A 51 2.983 10.189 8.852 1.00 0.00 N ATOM 793 CA TYR A 51 4.164 10.954 8.465 1.00 0.00 C ATOM 794 C TYR A 51 3.794 12.113 7.544 1.00 0.00 C ATOM 795 O TYR A 51 4.204 13.252 7.769 1.00 0.00 O ATOM 796 CB TYR A 51 5.181 10.045 7.772 1.00 0.00 C ATOM 797 CG TYR A 51 6.590 10.595 7.780 1.00 0.00 C ATOM 798 CD1 TYR A 51 7.440 10.369 8.856 1.00 0.00 C ATOM 799 CD2 TYR A 51 7.072 11.342 6.711 1.00 0.00 C ATOM 800 CE1 TYR A 51 8.727 10.870 8.866 1.00 0.00 C ATOM 801 CE2 TYR A 51 8.358 11.845 6.714 1.00 0.00 C ATOM 802 CZ TYR A 51 9.182 11.607 7.795 1.00 0.00 C ATOM 803 OH TYR A 51 10.464 12.108 7.802 1.00 0.00 O ATOM 0 H TYR A 51 2.931 9.256 8.444 1.00 0.00 H new ATOM 0 HA TYR A 51 4.608 11.365 9.372 1.00 0.00 H new ATOM 0 HB2 TYR A 51 5.178 9.071 8.261 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.868 9.885 6.740 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.088 9.792 9.698 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.430 11.532 5.864 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.374 10.685 9.710 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.717 12.422 5.874 1.00 0.00 H new ATOM 0 HH TYR A 51 10.626 12.603 6.972 1.00 0.00 H new ATOM 813 N TYR A 52 3.019 11.815 6.507 1.00 0.00 N ATOM 814 CA TYR A 52 2.597 12.833 5.551 1.00 0.00 C ATOM 815 C TYR A 52 1.753 13.904 6.234 1.00 0.00 C ATOM 816 O TYR A 52 1.791 15.075 5.852 1.00 0.00 O ATOM 817 CB TYR A 52 1.808 12.193 4.406 1.00 0.00 C ATOM 818 CG TYR A 52 2.674 11.750 3.247 1.00 0.00 C ATOM 819 CD1 TYR A 52 3.695 12.560 2.766 1.00 0.00 C ATOM 820 CD2 TYR A 52 2.471 10.519 2.633 1.00 0.00 C ATOM 821 CE1 TYR A 52 4.488 12.159 1.708 1.00 0.00 C ATOM 822 CE2 TYR A 52 3.261 10.111 1.574 1.00 0.00 C ATOM 823 CZ TYR A 52 4.268 10.934 1.116 1.00 0.00 C ATOM 824 OH TYR A 52 5.056 10.530 0.062 1.00 0.00 O ATOM 0 H TYR A 52 2.670 10.878 6.307 1.00 0.00 H new ATOM 0 HA TYR A 52 3.490 13.307 5.144 1.00 0.00 H new ATOM 0 HB2 TYR A 52 1.261 11.332 4.790 1.00 0.00 H new ATOM 0 HB3 TYR A 52 1.067 12.906 4.044 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.872 13.520 3.227 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.684 9.871 2.989 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.277 12.802 1.347 1.00 0.00 H new ATOM 0 HE2 TYR A 52 3.090 9.152 1.108 1.00 0.00 H new ATOM 0 HH TYR A 52 5.392 9.625 0.233 1.00 0.00 H new ATOM 834 N ARG A 53 0.995 13.499 7.248 1.00 0.00 N ATOM 835 CA ARG A 53 0.145 14.428 7.986 1.00 0.00 C ATOM 836 C ARG A 53 0.978 15.548 8.604 1.00 0.00 C ATOM 837 O ARG A 53 0.591 16.717 8.565 1.00 0.00 O ATOM 838 CB ARG A 53 -0.625 13.688 9.082 1.00 0.00 C ATOM 839 CG ARG A 53 -2.029 14.224 9.306 1.00 0.00 C ATOM 840 CD ARG A 53 -2.967 13.137 9.809 1.00 0.00 C ATOM 841 NE ARG A 53 -2.772 12.860 11.230 1.00 0.00 N ATOM 842 CZ ARG A 53 -3.262 13.619 12.208 1.00 0.00 C ATOM 843 NH1 ARG A 53 -3.976 14.702 11.922 1.00 0.00 N ATOM 844 NH2 ARG A 53 -3.038 13.296 13.474 1.00 0.00 N ATOM 0 H ARG A 53 0.952 12.535 7.578 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.566 14.867 7.286 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.686 12.631 8.822 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.066 13.755 10.016 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.997 15.041 10.027 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.415 14.637 8.374 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.000 13.441 9.637 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.804 12.224 9.236 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.228 12.036 11.488 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.151 14.955 10.950 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.349 15.280 12.675 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.490 12.466 13.699 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.414 13.878 14.223 1.00 0.00 H new ATOM 858 N GLN A 54 2.122 15.182 9.175 1.00 0.00 N ATOM 859 CA GLN A 54 3.012 16.152 9.805 1.00 0.00 C ATOM 860 C GLN A 54 3.777 16.961 8.759 1.00 0.00 C ATOM 861 O GLN A 54 4.239 18.068 9.035 1.00 0.00 O ATOM 862 CB GLN A 54 3.995 15.442 10.737 1.00 0.00 C ATOM 863 CG GLN A 54 3.503 15.340 12.172 1.00 0.00 C ATOM 864 CD GLN A 54 2.814 14.021 12.461 1.00 0.00 C ATOM 865 OE1 GLN A 54 3.422 12.955 12.359 1.00 0.00 O ATOM 866 NE2 GLN A 54 1.539 14.086 12.824 1.00 0.00 N ATOM 0 H GLN A 54 2.455 14.219 9.214 1.00 0.00 H new ATOM 0 HA GLN A 54 2.399 16.840 10.387 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.187 14.439 10.355 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.946 15.975 10.724 1.00 0.00 H new ATOM 0 HG2 GLN A 54 4.347 15.461 12.851 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.812 16.158 12.374 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.075 14.991 12.896 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.024 13.231 13.031 1.00 0.00 H new ATOM 875 N GLN A 55 3.906 16.405 7.558 1.00 0.00 N ATOM 876 CA GLN A 55 4.614 17.081 6.475 1.00 0.00 C ATOM 877 C GLN A 55 3.656 17.947 5.658 1.00 0.00 C ATOM 878 O GLN A 55 3.702 17.954 4.428 1.00 0.00 O ATOM 879 CB GLN A 55 5.296 16.055 5.566 1.00 0.00 C ATOM 880 CG GLN A 55 6.544 16.583 4.881 1.00 0.00 C ATOM 881 CD GLN A 55 7.752 16.594 5.798 1.00 0.00 C ATOM 882 OE1 GLN A 55 8.223 17.654 6.209 1.00 0.00 O ATOM 883 NE2 GLN A 55 8.260 15.412 6.123 1.00 0.00 N ATOM 0 H GLN A 55 3.530 15.490 7.310 1.00 0.00 H new ATOM 0 HA GLN A 55 5.374 17.727 6.916 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.560 15.178 6.157 1.00 0.00 H new ATOM 0 HB3 GLN A 55 4.586 15.727 4.807 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.762 15.969 4.007 1.00 0.00 H new ATOM 0 HG3 GLN A 55 6.356 17.595 4.521 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.837 14.558 5.759 1.00 0.00 H new ATOM 0 HE22 GLN A 55 9.073 15.358 6.737 1.00 0.00 H new ATOM 892 N VAL A 56 2.785 18.672 6.353 1.00 0.00 N ATOM 893 CA VAL A 56 1.809 19.534 5.696 1.00 0.00 C ATOM 894 C VAL A 56 2.056 21.008 6.005 1.00 0.00 C ATOM 895 O VAL A 56 2.372 21.373 7.138 1.00 0.00 O ATOM 896 CB VAL A 56 0.374 19.171 6.113 1.00 0.00 C ATOM 897 CG1 VAL A 56 -0.635 19.956 5.291 1.00 0.00 C ATOM 898 CG2 VAL A 56 0.140 17.675 5.975 1.00 0.00 C ATOM 0 H VAL A 56 2.735 18.680 7.372 1.00 0.00 H new ATOM 0 HA VAL A 56 1.927 19.373 4.624 1.00 0.00 H new ATOM 0 HB VAL A 56 0.240 19.440 7.161 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.645 19.686 5.600 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.481 21.023 5.448 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.504 19.722 4.234 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.881 17.437 6.275 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.292 17.377 4.938 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.840 17.137 6.614 1.00 0.00 H new ATOM 908 N THR A 57 1.907 21.847 4.986 1.00 0.00 N ATOM 909 CA THR A 57 2.109 23.285 5.139 1.00 0.00 C ATOM 910 C THR A 57 0.905 24.083 4.629 1.00 0.00 C ATOM 911 O THR A 57 0.842 25.299 4.809 1.00 0.00 O ATOM 912 CB THR A 57 3.372 23.722 4.397 1.00 0.00 C ATOM 913 OG1 THR A 57 3.642 25.093 4.630 1.00 0.00 O ATOM 914 CG2 THR A 57 3.287 23.520 2.899 1.00 0.00 C ATOM 0 H THR A 57 1.647 21.557 4.043 1.00 0.00 H new ATOM 0 HA THR A 57 2.222 23.490 6.204 1.00 0.00 H new ATOM 0 HB THR A 57 4.169 23.090 4.788 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.814 25.551 4.884 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.216 23.850 2.434 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.129 22.463 2.683 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.455 24.101 2.500 1.00 0.00 H new ATOM 922 N GLY A 58 -0.044 23.401 3.990 1.00 0.00 N ATOM 923 CA GLY A 58 -1.220 24.080 3.469 1.00 0.00 C ATOM 924 C GLY A 58 -2.345 24.164 4.483 1.00 0.00 C ATOM 925 O GLY A 58 -2.231 23.639 5.591 1.00 0.00 O ATOM 0 H GLY A 58 -0.020 22.395 3.824 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.944 25.087 3.155 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.574 23.555 2.582 1.00 0.00 H new ATOM 929 N GLU A 59 -3.435 24.828 4.104 1.00 0.00 N ATOM 930 CA GLU A 59 -4.591 24.985 4.989 1.00 0.00 C ATOM 931 C GLU A 59 -5.309 23.656 5.207 1.00 0.00 C ATOM 932 O GLU A 59 -5.066 22.686 4.488 1.00 0.00 O ATOM 933 CB GLU A 59 -5.580 26.006 4.410 1.00 0.00 C ATOM 934 CG GLU A 59 -5.654 26.019 2.890 1.00 0.00 C ATOM 935 CD GLU A 59 -4.797 27.107 2.273 1.00 0.00 C ATOM 936 OE1 GLU A 59 -3.557 26.952 2.263 1.00 0.00 O ATOM 937 OE2 GLU A 59 -5.365 28.113 1.799 1.00 0.00 O ATOM 0 H GLU A 59 -3.544 25.267 3.190 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.219 25.343 5.949 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.573 25.797 4.808 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.300 27.001 4.756 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.336 25.050 2.506 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.690 26.159 2.582 1.00 0.00 H new ATOM 944 N PRO A 60 -6.212 23.593 6.205 1.00 0.00 N ATOM 945 CA PRO A 60 -6.975 22.382 6.517 1.00 0.00 C ATOM 946 C PRO A 60 -7.536 21.706 5.271 1.00 0.00 C ATOM 947 O PRO A 60 -7.631 20.481 5.216 1.00 0.00 O ATOM 948 CB PRO A 60 -8.114 22.881 7.423 1.00 0.00 C ATOM 949 CG PRO A 60 -8.000 24.373 7.445 1.00 0.00 C ATOM 950 CD PRO A 60 -6.573 24.691 7.111 1.00 0.00 C ATOM 0 HA PRO A 60 -6.347 21.626 6.989 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -9.085 22.570 7.037 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -8.023 22.468 8.428 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.679 24.826 6.722 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -8.268 24.769 8.425 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.475 25.664 6.630 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -5.942 24.710 7.999 1.00 0.00 H new ATOM 958 N GLN A 61 -7.887 22.499 4.261 1.00 0.00 N ATOM 959 CA GLN A 61 -8.409 21.944 3.020 1.00 0.00 C ATOM 960 C GLN A 61 -7.277 21.292 2.241 1.00 0.00 C ATOM 961 O GLN A 61 -7.432 20.204 1.686 1.00 0.00 O ATOM 962 CB GLN A 61 -9.081 23.030 2.175 1.00 0.00 C ATOM 963 CG GLN A 61 -8.241 24.285 1.998 1.00 0.00 C ATOM 964 CD GLN A 61 -8.719 25.146 0.843 1.00 0.00 C ATOM 965 OE1 GLN A 61 -8.456 24.844 -0.321 1.00 0.00 O ATOM 966 NE2 GLN A 61 -9.425 26.225 1.161 1.00 0.00 N ATOM 0 H GLN A 61 -7.820 23.517 4.279 1.00 0.00 H new ATOM 0 HA GLN A 61 -9.162 21.193 3.260 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.313 22.619 1.192 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -10.029 23.302 2.639 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -8.268 24.869 2.918 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -7.202 24.002 1.830 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -9.620 26.437 2.140 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -9.773 26.842 0.427 1.00 0.00 H new ATOM 975 N GLU A 62 -6.130 21.964 2.225 1.00 0.00 N ATOM 976 CA GLU A 62 -4.954 21.455 1.537 1.00 0.00 C ATOM 977 C GLU A 62 -4.419 20.233 2.267 1.00 0.00 C ATOM 978 O GLU A 62 -3.999 19.255 1.648 1.00 0.00 O ATOM 979 CB GLU A 62 -3.871 22.535 1.449 1.00 0.00 C ATOM 980 CG GLU A 62 -2.584 22.052 0.801 1.00 0.00 C ATOM 981 CD GLU A 62 -2.001 23.064 -0.166 1.00 0.00 C ATOM 982 OE1 GLU A 62 -1.406 24.057 0.301 1.00 0.00 O ATOM 983 OE2 GLU A 62 -2.139 22.862 -1.391 1.00 0.00 O ATOM 0 H GLU A 62 -5.992 22.865 2.683 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.237 21.171 0.524 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.258 23.381 0.882 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.649 22.898 2.452 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.851 21.833 1.577 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.776 21.119 0.272 1.00 0.00 H new ATOM 990 N ARG A 63 -4.455 20.293 3.594 1.00 0.00 N ATOM 991 CA ARG A 63 -3.989 19.187 4.420 1.00 0.00 C ATOM 992 C ARG A 63 -4.899 17.978 4.245 1.00 0.00 C ATOM 993 O ARG A 63 -4.435 16.875 3.958 1.00 0.00 O ATOM 994 CB ARG A 63 -3.943 19.602 5.892 1.00 0.00 C ATOM 995 CG ARG A 63 -3.525 18.480 6.829 1.00 0.00 C ATOM 996 CD ARG A 63 -3.474 18.949 8.275 1.00 0.00 C ATOM 997 NE ARG A 63 -2.337 19.830 8.523 1.00 0.00 N ATOM 998 CZ ARG A 63 -1.776 20.002 9.719 1.00 0.00 C ATOM 999 NH1 ARG A 63 -2.252 19.366 10.783 1.00 0.00 N ATOM 1000 NH2 ARG A 63 -0.736 20.816 9.852 1.00 0.00 N ATOM 0 H ARG A 63 -4.802 21.095 4.119 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.982 18.918 4.102 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -3.249 20.435 6.004 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.927 19.965 6.189 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -4.226 17.650 6.739 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.546 18.104 6.533 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.398 19.472 8.519 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.413 18.084 8.935 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.949 20.345 7.733 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.052 18.741 10.688 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.817 19.503 11.696 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.367 21.309 9.039 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.306 20.948 10.767 1.00 0.00 H new ATOM 1014 N ASP A 64 -6.201 18.196 4.412 1.00 0.00 N ATOM 1015 CA ASP A 64 -7.177 17.124 4.263 1.00 0.00 C ATOM 1016 C ASP A 64 -7.135 16.550 2.851 1.00 0.00 C ATOM 1017 O ASP A 64 -7.249 15.341 2.657 1.00 0.00 O ATOM 1018 CB ASP A 64 -8.585 17.635 4.577 1.00 0.00 C ATOM 1019 CG ASP A 64 -9.502 16.534 5.072 1.00 0.00 C ATOM 1020 OD1 ASP A 64 -9.432 16.197 6.273 1.00 0.00 O ATOM 1021 OD2 ASP A 64 -10.291 16.008 4.259 1.00 0.00 O ATOM 0 H ASP A 64 -6.602 19.103 4.650 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.923 16.333 4.969 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.524 18.420 5.331 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -9.013 18.086 3.682 1.00 0.00 H new ATOM 1026 N LYS A 65 -6.970 17.428 1.869 1.00 0.00 N ATOM 1027 CA LYS A 65 -6.912 17.013 0.471 1.00 0.00 C ATOM 1028 C LYS A 65 -5.754 16.051 0.238 1.00 0.00 C ATOM 1029 O LYS A 65 -5.914 15.010 -0.399 1.00 0.00 O ATOM 1030 CB LYS A 65 -6.777 18.230 -0.447 1.00 0.00 C ATOM 1031 CG LYS A 65 -8.082 18.630 -1.118 1.00 0.00 C ATOM 1032 CD LYS A 65 -9.139 19.019 -0.097 1.00 0.00 C ATOM 1033 CE LYS A 65 -10.495 18.423 -0.445 1.00 0.00 C ATOM 1034 NZ LYS A 65 -11.362 19.395 -1.166 1.00 0.00 N ATOM 0 H LYS A 65 -6.874 18.433 2.014 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.843 16.497 0.235 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.402 19.073 0.133 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.033 18.016 -1.215 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.903 19.466 -1.794 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.449 17.802 -1.725 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.834 18.679 0.892 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.219 20.105 -0.050 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.354 17.536 -1.062 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.994 18.100 0.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.276 18.949 -1.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.519 20.231 -0.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.898 19.685 -2.051 1.00 0.00 H new ATOM 1048 N ALA A 66 -4.587 16.409 0.757 1.00 0.00 N ATOM 1049 CA ALA A 66 -3.396 15.581 0.608 1.00 0.00 C ATOM 1050 C ALA A 66 -3.518 14.292 1.411 1.00 0.00 C ATOM 1051 O ALA A 66 -3.008 13.247 1.010 1.00 0.00 O ATOM 1052 CB ALA A 66 -2.159 16.354 1.038 1.00 0.00 C ATOM 0 H ALA A 66 -4.439 17.269 1.286 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.300 15.315 -0.445 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.277 15.724 0.922 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.053 17.245 0.419 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.259 16.649 2.083 1.00 0.00 H new ATOM 1058 N LEU A 67 -4.209 14.373 2.539 1.00 0.00 N ATOM 1059 CA LEU A 67 -4.403 13.213 3.398 1.00 0.00 C ATOM 1060 C LEU A 67 -5.454 12.274 2.815 1.00 0.00 C ATOM 1061 O LEU A 67 -5.379 11.057 2.991 1.00 0.00 O ATOM 1062 CB LEU A 67 -4.800 13.652 4.809 1.00 0.00 C ATOM 1063 CG LEU A 67 -3.632 13.799 5.790 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -3.094 12.432 6.183 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -2.528 14.654 5.184 1.00 0.00 C ATOM 0 H LEU A 67 -4.645 15.230 2.881 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.459 12.671 3.456 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.323 14.606 4.744 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.507 12.928 5.214 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.997 14.298 6.688 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.265 12.554 6.880 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.885 11.852 6.658 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.746 11.908 5.293 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.708 14.747 5.896 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.164 14.184 4.270 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.921 15.644 4.952 1.00 0.00 H new ATOM 1077 N GLN A 68 -6.428 12.844 2.112 1.00 0.00 N ATOM 1078 CA GLN A 68 -7.487 12.051 1.500 1.00 0.00 C ATOM 1079 C GLN A 68 -6.989 11.381 0.228 1.00 0.00 C ATOM 1080 O GLN A 68 -7.309 10.223 -0.041 1.00 0.00 O ATOM 1081 CB GLN A 68 -8.705 12.923 1.190 1.00 0.00 C ATOM 1082 CG GLN A 68 -9.306 13.589 2.415 1.00 0.00 C ATOM 1083 CD GLN A 68 -10.693 13.067 2.742 1.00 0.00 C ATOM 1084 OE1 GLN A 68 -10.905 12.448 3.784 1.00 0.00 O ATOM 1085 NE2 GLN A 68 -11.643 13.314 1.848 1.00 0.00 N ATOM 0 H GLN A 68 -6.505 13.849 1.953 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.782 11.278 2.210 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.417 13.692 0.473 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.467 12.309 0.710 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -8.650 13.427 3.270 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.356 14.665 2.251 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.421 13.832 0.998 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -12.595 12.986 2.012 1.00 0.00 H new ATOM 1094 N GLU A 69 -6.197 12.106 -0.550 1.00 0.00 N ATOM 1095 CA GLU A 69 -5.656 11.551 -1.780 1.00 0.00 C ATOM 1096 C GLU A 69 -4.591 10.516 -1.450 1.00 0.00 C ATOM 1097 O GLU A 69 -4.445 9.517 -2.151 1.00 0.00 O ATOM 1098 CB GLU A 69 -5.086 12.647 -2.684 1.00 0.00 C ATOM 1099 CG GLU A 69 -4.016 13.505 -2.030 1.00 0.00 C ATOM 1100 CD GLU A 69 -3.904 14.873 -2.675 1.00 0.00 C ATOM 1101 OE1 GLU A 69 -4.896 15.325 -3.285 1.00 0.00 O ATOM 1102 OE2 GLU A 69 -2.824 15.493 -2.572 1.00 0.00 O ATOM 0 H GLU A 69 -5.918 13.067 -0.354 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.466 11.068 -2.327 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.667 12.183 -3.577 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.902 13.292 -3.012 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.244 13.622 -0.971 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.055 12.995 -2.094 1.00 0.00 H new ATOM 1109 N LEU A 70 -3.864 10.750 -0.360 1.00 0.00 N ATOM 1110 CA LEU A 70 -2.835 9.814 0.068 1.00 0.00 C ATOM 1111 C LEU A 70 -3.476 8.505 0.515 1.00 0.00 C ATOM 1112 O LEU A 70 -3.076 7.428 0.076 1.00 0.00 O ATOM 1113 CB LEU A 70 -2.003 10.402 1.211 1.00 0.00 C ATOM 1114 CG LEU A 70 -0.547 9.933 1.263 1.00 0.00 C ATOM 1115 CD1 LEU A 70 -0.471 8.415 1.213 1.00 0.00 C ATOM 1116 CD2 LEU A 70 0.249 10.547 0.121 1.00 0.00 C ATOM 0 H LEU A 70 -3.969 11.571 0.236 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.173 9.623 -0.777 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.015 11.489 1.127 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.484 10.150 2.156 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.111 10.265 2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.572 8.101 1.251 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.007 7.996 2.064 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.924 8.058 0.288 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.282 10.204 0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.187 10.244 -0.831 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.223 11.634 0.203 1.00 0.00 H new ATOM 1128 N ARG A 71 -4.479 8.602 1.388 1.00 0.00 N ATOM 1129 CA ARG A 71 -5.169 7.416 1.884 1.00 0.00 C ATOM 1130 C ARG A 71 -5.812 6.638 0.737 1.00 0.00 C ATOM 1131 O ARG A 71 -5.714 5.412 0.674 1.00 0.00 O ATOM 1132 CB ARG A 71 -6.224 7.808 2.931 1.00 0.00 C ATOM 1133 CG ARG A 71 -7.505 8.381 2.345 1.00 0.00 C ATOM 1134 CD ARG A 71 -8.560 8.599 3.419 1.00 0.00 C ATOM 1135 NE ARG A 71 -9.227 7.354 3.794 1.00 0.00 N ATOM 1136 CZ ARG A 71 -10.198 6.788 3.082 1.00 0.00 C ATOM 1137 NH1 ARG A 71 -10.619 7.352 1.955 1.00 0.00 N ATOM 1138 NH2 ARG A 71 -10.751 5.656 3.496 1.00 0.00 N ATOM 0 H ARG A 71 -4.828 9.484 1.763 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.433 6.768 2.359 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.472 6.929 3.526 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.790 8.541 3.611 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.288 9.327 1.849 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -7.893 7.704 1.584 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -8.094 9.040 4.300 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -9.301 9.313 3.059 1.00 0.00 H new ATOM 0 HE ARG A 71 -8.930 6.891 4.653 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -10.197 8.223 1.632 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -11.364 6.914 1.413 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -10.432 5.219 4.361 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -11.495 5.222 2.950 1.00 0.00 H new ATOM 1152 N GLN A 72 -6.471 7.359 -0.167 1.00 0.00 N ATOM 1153 CA GLN A 72 -7.131 6.733 -1.308 1.00 0.00 C ATOM 1154 C GLN A 72 -6.129 5.961 -2.160 1.00 0.00 C ATOM 1155 O GLN A 72 -6.345 4.792 -2.485 1.00 0.00 O ATOM 1156 CB GLN A 72 -7.834 7.790 -2.161 1.00 0.00 C ATOM 1157 CG GLN A 72 -8.565 7.216 -3.364 1.00 0.00 C ATOM 1158 CD GLN A 72 -9.366 8.264 -4.114 1.00 0.00 C ATOM 1159 OE1 GLN A 72 -8.812 9.237 -4.624 1.00 0.00 O ATOM 1160 NE2 GLN A 72 -10.677 8.068 -4.183 1.00 0.00 N ATOM 0 H GLN A 72 -6.562 8.374 -0.131 1.00 0.00 H new ATOM 0 HA GLN A 72 -7.873 6.032 -0.926 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.546 8.332 -1.539 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -7.097 8.515 -2.507 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -7.842 6.763 -4.042 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -9.233 6.421 -3.033 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -11.094 7.246 -3.745 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.268 8.739 -4.674 1.00 0.00 H new ATOM 1169 N GLU A 73 -5.031 6.618 -2.516 1.00 0.00 N ATOM 1170 CA GLU A 73 -3.998 5.989 -3.327 1.00 0.00 C ATOM 1171 C GLU A 73 -3.453 4.746 -2.632 1.00 0.00 C ATOM 1172 O GLU A 73 -3.132 3.753 -3.280 1.00 0.00 O ATOM 1173 CB GLU A 73 -2.867 6.980 -3.608 1.00 0.00 C ATOM 1174 CG GLU A 73 -3.294 8.155 -4.473 1.00 0.00 C ATOM 1175 CD GLU A 73 -3.417 7.790 -5.940 1.00 0.00 C ATOM 1176 OE1 GLU A 73 -3.066 6.646 -6.299 1.00 0.00 O ATOM 1177 OE2 GLU A 73 -3.864 8.647 -6.730 1.00 0.00 O ATOM 0 H GLU A 73 -4.834 7.584 -2.256 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.441 5.686 -4.276 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.481 7.357 -2.661 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.048 6.455 -4.100 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.252 8.534 -4.116 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -2.570 8.963 -4.364 1.00 0.00 H new ATOM 1184 N LEU A 74 -3.353 4.810 -1.308 1.00 0.00 N ATOM 1185 CA LEU A 74 -2.849 3.689 -0.522 1.00 0.00 C ATOM 1186 C LEU A 74 -3.764 2.483 -0.652 1.00 0.00 C ATOM 1187 O LEU A 74 -3.293 1.373 -0.855 1.00 0.00 O ATOM 1188 CB LEU A 74 -2.699 4.087 0.949 1.00 0.00 C ATOM 1189 CG LEU A 74 -1.478 4.960 1.285 1.00 0.00 C ATOM 1190 CD1 LEU A 74 -0.480 4.184 2.130 1.00 0.00 C ATOM 1191 CD2 LEU A 74 -0.802 5.484 0.022 1.00 0.00 C ATOM 0 H LEU A 74 -3.615 5.627 -0.756 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.867 3.418 -0.911 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.599 4.621 1.255 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.648 3.178 1.548 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.834 5.816 1.857 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.376 4.819 2.357 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.956 3.871 3.059 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.144 3.305 1.580 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.057 6.097 0.296 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.468 4.644 -0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.511 6.086 -0.547 1.00 0.00 H new ATOM 1203 N ASN A 75 -5.066 2.696 -0.538 1.00 0.00 N ATOM 1204 CA ASN A 75 -6.011 1.594 -0.665 1.00 0.00 C ATOM 1205 C ASN A 75 -5.958 1.026 -2.082 1.00 0.00 C ATOM 1206 O ASN A 75 -6.150 -0.171 -2.294 1.00 0.00 O ATOM 1207 CB ASN A 75 -7.430 2.060 -0.333 1.00 0.00 C ATOM 1208 CG ASN A 75 -7.681 2.121 1.161 1.00 0.00 C ATOM 1209 OD1 ASN A 75 -7.853 1.094 1.817 1.00 0.00 O ATOM 1210 ND2 ASN A 75 -7.704 3.331 1.708 1.00 0.00 N ATOM 0 H ASN A 75 -5.489 3.607 -0.360 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.734 0.812 0.042 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.597 3.045 -0.768 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.149 1.382 -0.793 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.869 3.435 2.709 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.557 4.156 1.127 1.00 0.00 H new ATOM 1217 N THR A 76 -5.698 1.906 -3.044 1.00 0.00 N ATOM 1218 CA THR A 76 -5.618 1.511 -4.447 1.00 0.00 C ATOM 1219 C THR A 76 -4.298 0.804 -4.755 1.00 0.00 C ATOM 1220 O THR A 76 -4.249 -0.096 -5.593 1.00 0.00 O ATOM 1221 CB THR A 76 -5.782 2.730 -5.357 1.00 0.00 C ATOM 1222 OG1 THR A 76 -6.826 3.567 -4.890 1.00 0.00 O ATOM 1223 CG2 THR A 76 -6.093 2.368 -6.794 1.00 0.00 C ATOM 0 H THR A 76 -5.539 2.900 -2.877 1.00 0.00 H new ATOM 0 HA THR A 76 -6.431 0.810 -4.638 1.00 0.00 H new ATOM 0 HB THR A 76 -4.821 3.243 -5.328 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.517 4.069 -4.107 1.00 0.00 H new ATOM 0 HG21 THR A 76 -6.197 3.278 -7.384 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.283 1.762 -7.200 1.00 0.00 H new ATOM 0 HG23 THR A 76 -7.024 1.802 -6.833 1.00 0.00 H new ATOM 1231 N LEU A 77 -3.233 1.208 -4.071 1.00 0.00 N ATOM 1232 CA LEU A 77 -1.919 0.603 -4.272 1.00 0.00 C ATOM 1233 C LEU A 77 -1.788 -0.669 -3.442 1.00 0.00 C ATOM 1234 O LEU A 77 -1.131 -1.628 -3.845 1.00 0.00 O ATOM 1235 CB LEU A 77 -0.815 1.591 -3.894 1.00 0.00 C ATOM 1236 CG LEU A 77 -0.603 2.738 -4.884 1.00 0.00 C ATOM 1237 CD1 LEU A 77 0.528 3.642 -4.417 1.00 0.00 C ATOM 1238 CD2 LEU A 77 -0.317 2.194 -6.276 1.00 0.00 C ATOM 0 H LEU A 77 -3.253 1.951 -3.373 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.815 0.347 -5.326 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.046 2.014 -2.916 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.122 1.043 -3.791 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.517 3.330 -4.929 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.665 4.452 -5.133 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.281 4.058 -3.440 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.449 3.064 -4.343 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.169 3.023 -6.967 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.583 1.579 -6.249 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.160 1.589 -6.610 1.00 0.00 H new ATOM 1250 N ALA A 78 -2.431 -0.662 -2.281 1.00 0.00 N ATOM 1251 CA ALA A 78 -2.408 -1.809 -1.379 1.00 0.00 C ATOM 1252 C ALA A 78 -3.423 -2.869 -1.802 1.00 0.00 C ATOM 1253 O ALA A 78 -3.277 -4.044 -1.471 1.00 0.00 O ATOM 1254 CB ALA A 78 -2.676 -1.361 0.050 1.00 0.00 C ATOM 0 H ALA A 78 -2.978 0.129 -1.940 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.416 -2.257 -1.430 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.656 -2.226 0.712 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.909 -0.650 0.358 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.655 -0.885 0.104 1.00 0.00 H new ATOM 1260 N ASN A 79 -4.466 -2.440 -2.508 1.00 0.00 N ATOM 1261 CA ASN A 79 -5.521 -3.357 -2.936 1.00 0.00 C ATOM 1262 C ASN A 79 -4.958 -4.485 -3.801 1.00 0.00 C ATOM 1263 O ASN A 79 -5.217 -5.659 -3.532 1.00 0.00 O ATOM 1264 CB ASN A 79 -6.602 -2.599 -3.711 1.00 0.00 C ATOM 1265 CG ASN A 79 -7.885 -2.447 -2.916 1.00 0.00 C ATOM 1266 OD1 ASN A 79 -8.980 -2.655 -3.439 1.00 0.00 O ATOM 1267 ND2 ASN A 79 -7.756 -2.084 -1.646 1.00 0.00 N ATOM 0 H ASN A 79 -4.604 -1.471 -2.795 1.00 0.00 H new ATOM 0 HA ASN A 79 -5.961 -3.798 -2.042 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -6.227 -1.612 -3.982 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -6.815 -3.125 -4.641 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -8.584 -1.967 -1.062 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.829 -1.922 -1.254 1.00 0.00 H new ATOM 1274 N PRO A 80 -4.176 -4.165 -4.844 1.00 0.00 N ATOM 1275 CA PRO A 80 -3.592 -5.187 -5.715 1.00 0.00 C ATOM 1276 C PRO A 80 -2.532 -6.020 -4.996 1.00 0.00 C ATOM 1277 O PRO A 80 -2.350 -7.201 -5.293 1.00 0.00 O ATOM 1278 CB PRO A 80 -2.961 -4.379 -6.850 1.00 0.00 C ATOM 1279 CG PRO A 80 -2.710 -3.030 -6.269 1.00 0.00 C ATOM 1280 CD PRO A 80 -3.797 -2.800 -5.256 1.00 0.00 C ATOM 0 HA PRO A 80 -4.338 -5.905 -6.056 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.035 -4.839 -7.195 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -3.627 -4.320 -7.711 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -1.726 -2.985 -5.801 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.731 -2.263 -7.043 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.441 -2.210 -4.412 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -4.641 -2.262 -5.688 1.00 0.00 H new ATOM 1288 N PHE A 81 -1.834 -5.395 -4.053 1.00 0.00 N ATOM 1289 CA PHE A 81 -0.787 -6.075 -3.296 1.00 0.00 C ATOM 1290 C PHE A 81 -1.377 -7.060 -2.289 1.00 0.00 C ATOM 1291 O PHE A 81 -0.916 -8.195 -2.173 1.00 0.00 O ATOM 1292 CB PHE A 81 0.087 -5.048 -2.566 1.00 0.00 C ATOM 1293 CG PHE A 81 1.149 -5.657 -1.689 1.00 0.00 C ATOM 1294 CD1 PHE A 81 1.642 -6.928 -1.946 1.00 0.00 C ATOM 1295 CD2 PHE A 81 1.651 -4.957 -0.605 1.00 0.00 C ATOM 1296 CE1 PHE A 81 2.616 -7.485 -1.139 1.00 0.00 C ATOM 1297 CE2 PHE A 81 2.625 -5.510 0.205 1.00 0.00 C ATOM 1298 CZ PHE A 81 3.108 -6.775 -0.062 1.00 0.00 C ATOM 0 H PHE A 81 -1.974 -4.418 -3.794 1.00 0.00 H new ATOM 0 HA PHE A 81 -0.176 -6.637 -4.003 1.00 0.00 H new ATOM 0 HB2 PHE A 81 0.566 -4.404 -3.304 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -0.553 -4.411 -1.955 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.260 -7.489 -2.786 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.277 -3.967 -0.390 1.00 0.00 H new ATOM 0 HE1 PHE A 81 2.992 -8.475 -1.351 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.008 -4.952 1.047 1.00 0.00 H new ATOM 0 HZ PHE A 81 3.869 -7.208 0.570 1.00 0.00 H new ATOM 1308 N LEU A 82 -2.392 -6.615 -1.557 1.00 0.00 N ATOM 1309 CA LEU A 82 -3.032 -7.456 -0.554 1.00 0.00 C ATOM 1310 C LEU A 82 -3.789 -8.613 -1.194 1.00 0.00 C ATOM 1311 O LEU A 82 -3.738 -9.742 -0.707 1.00 0.00 O ATOM 1312 CB LEU A 82 -3.973 -6.628 0.317 1.00 0.00 C ATOM 1313 CG LEU A 82 -3.615 -6.619 1.800 1.00 0.00 C ATOM 1314 CD1 LEU A 82 -3.624 -8.033 2.359 1.00 0.00 C ATOM 1315 CD2 LEU A 82 -2.257 -5.967 2.017 1.00 0.00 C ATOM 0 H LEU A 82 -2.788 -5.679 -1.639 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.246 -7.876 0.073 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.978 -5.601 -0.049 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.987 -7.012 0.203 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.366 -6.034 2.332 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.366 -8.007 3.418 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.617 -8.466 2.237 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.895 -8.641 1.823 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.018 -5.969 3.080 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.495 -6.524 1.473 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.284 -4.940 1.654 1.00 0.00 H new ATOM 1327 N ALA A 83 -4.486 -8.336 -2.291 1.00 0.00 N ATOM 1328 CA ALA A 83 -5.238 -9.370 -2.985 1.00 0.00 C ATOM 1329 C ALA A 83 -4.294 -10.345 -3.674 1.00 0.00 C ATOM 1330 O ALA A 83 -4.533 -11.554 -3.691 1.00 0.00 O ATOM 1331 CB ALA A 83 -6.191 -8.748 -3.993 1.00 0.00 C ATOM 0 H ALA A 83 -4.545 -7.410 -2.715 1.00 0.00 H new ATOM 0 HA ALA A 83 -5.825 -9.921 -2.250 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.746 -9.535 -4.503 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -6.889 -8.089 -3.476 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.623 -8.172 -4.724 1.00 0.00 H new ATOM 1337 N LYS A 84 -3.218 -9.811 -4.236 1.00 0.00 N ATOM 1338 CA LYS A 84 -2.231 -10.630 -4.923 1.00 0.00 C ATOM 1339 C LYS A 84 -1.531 -11.570 -3.946 1.00 0.00 C ATOM 1340 O LYS A 84 -1.213 -12.709 -4.291 1.00 0.00 O ATOM 1341 CB LYS A 84 -1.201 -9.748 -5.630 1.00 0.00 C ATOM 1342 CG LYS A 84 -0.189 -10.532 -6.448 1.00 0.00 C ATOM 1343 CD LYS A 84 0.497 -9.650 -7.479 1.00 0.00 C ATOM 1344 CE LYS A 84 -0.303 -9.576 -8.769 1.00 0.00 C ATOM 1345 NZ LYS A 84 -1.143 -8.347 -8.834 1.00 0.00 N ATOM 0 H LYS A 84 -3.007 -8.813 -4.229 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.752 -11.231 -5.669 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.722 -9.049 -6.285 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.672 -9.154 -4.885 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.558 -10.967 -5.784 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.689 -11.360 -6.951 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.627 -8.647 -7.072 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.493 -10.041 -7.689 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.378 -9.595 -9.620 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.941 -10.456 -8.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.259 -8.058 -9.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.076 -8.542 -8.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.681 -7.582 -8.302 1.00 0.00 H new ATOM 1359 N TYR A 85 -1.289 -11.093 -2.727 1.00 0.00 N ATOM 1360 CA TYR A 85 -0.622 -11.909 -1.720 1.00 0.00 C ATOM 1361 C TYR A 85 -1.547 -12.999 -1.196 1.00 0.00 C ATOM 1362 O TYR A 85 -1.144 -14.156 -1.067 1.00 0.00 O ATOM 1363 CB TYR A 85 -0.118 -11.053 -0.560 1.00 0.00 C ATOM 1364 CG TYR A 85 1.003 -11.713 0.210 1.00 0.00 C ATOM 1365 CD1 TYR A 85 2.151 -12.148 -0.440 1.00 0.00 C ATOM 1366 CD2 TYR A 85 0.909 -11.913 1.581 1.00 0.00 C ATOM 1367 CE1 TYR A 85 3.176 -12.761 0.254 1.00 0.00 C ATOM 1368 CE2 TYR A 85 1.930 -12.526 2.282 1.00 0.00 C ATOM 1369 CZ TYR A 85 3.061 -12.948 1.615 1.00 0.00 C ATOM 1370 OH TYR A 85 4.077 -13.559 2.312 1.00 0.00 O ATOM 0 H TYR A 85 -1.542 -10.155 -2.416 1.00 0.00 H new ATOM 0 HA TYR A 85 0.235 -12.380 -2.201 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.227 -10.094 -0.945 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.945 -10.845 0.118 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.244 -12.004 -1.506 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.025 -11.585 2.107 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.062 -13.092 -0.267 1.00 0.00 H new ATOM 0 HE2 TYR A 85 1.843 -12.674 3.348 1.00 0.00 H new ATOM 0 HH TYR A 85 3.941 -14.529 2.305 1.00 0.00 H new ATOM 1380 N ARG A 86 -2.788 -12.633 -0.902 1.00 0.00 N ATOM 1381 CA ARG A 86 -3.763 -13.597 -0.402 1.00 0.00 C ATOM 1382 C ARG A 86 -3.916 -14.737 -1.398 1.00 0.00 C ATOM 1383 O ARG A 86 -3.930 -15.909 -1.027 1.00 0.00 O ATOM 1384 CB ARG A 86 -5.113 -12.918 -0.157 1.00 0.00 C ATOM 1385 CG ARG A 86 -5.594 -13.020 1.282 1.00 0.00 C ATOM 1386 CD ARG A 86 -6.301 -14.341 1.543 1.00 0.00 C ATOM 1387 NE ARG A 86 -7.688 -14.322 1.081 1.00 0.00 N ATOM 1388 CZ ARG A 86 -8.086 -14.772 -0.109 1.00 0.00 C ATOM 1389 NH1 ARG A 86 -7.209 -15.275 -0.970 1.00 0.00 N ATOM 1390 NH2 ARG A 86 -9.368 -14.716 -0.440 1.00 0.00 N ATOM 0 H ARG A 86 -3.143 -11.682 -1.000 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.407 -13.999 0.547 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.036 -11.866 -0.432 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.860 -13.365 -0.813 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.745 -12.921 1.958 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -6.272 -12.195 1.499 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.763 -15.145 1.041 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.278 -14.560 2.611 1.00 0.00 H new ATOM 0 HE ARG A 86 -8.396 -13.940 1.709 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.220 -15.320 -0.723 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.524 -15.617 -1.878 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -10.047 -14.329 0.215 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -9.675 -15.060 -1.350 1.00 0.00 H new ATOM 1404 N ASP A 87 -4.003 -14.374 -2.671 1.00 0.00 N ATOM 1405 CA ASP A 87 -4.122 -15.359 -3.734 1.00 0.00 C ATOM 1406 C ASP A 87 -2.837 -16.175 -3.819 1.00 0.00 C ATOM 1407 O ASP A 87 -2.859 -17.379 -4.077 1.00 0.00 O ATOM 1408 CB ASP A 87 -4.400 -14.672 -5.074 1.00 0.00 C ATOM 1409 CG ASP A 87 -5.882 -14.585 -5.384 1.00 0.00 C ATOM 1410 OD1 ASP A 87 -6.441 -15.575 -5.899 1.00 0.00 O ATOM 1411 OD2 ASP A 87 -6.483 -13.524 -5.111 1.00 0.00 O ATOM 0 H ASP A 87 -3.993 -13.405 -2.991 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.957 -16.023 -3.510 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.975 -13.668 -5.059 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.897 -15.219 -5.871 1.00 0.00 H new ATOM 1416 N PHE A 88 -1.715 -15.497 -3.592 1.00 0.00 N ATOM 1417 CA PHE A 88 -0.402 -16.131 -3.633 1.00 0.00 C ATOM 1418 C PHE A 88 -0.259 -17.199 -2.550 1.00 0.00 C ATOM 1419 O PHE A 88 0.200 -18.309 -2.821 1.00 0.00 O ATOM 1420 CB PHE A 88 0.692 -15.073 -3.468 1.00 0.00 C ATOM 1421 CG PHE A 88 2.053 -15.547 -3.887 1.00 0.00 C ATOM 1422 CD1 PHE A 88 2.839 -16.292 -3.023 1.00 0.00 C ATOM 1423 CD2 PHE A 88 2.547 -15.249 -5.149 1.00 0.00 C ATOM 1424 CE1 PHE A 88 4.089 -16.734 -3.410 1.00 0.00 C ATOM 1425 CE2 PHE A 88 3.797 -15.686 -5.538 1.00 0.00 C ATOM 1426 CZ PHE A 88 4.567 -16.430 -4.669 1.00 0.00 C ATOM 0 H PHE A 88 -1.691 -14.500 -3.376 1.00 0.00 H new ATOM 0 HA PHE A 88 -0.297 -16.620 -4.601 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.426 -14.193 -4.054 1.00 0.00 H new ATOM 0 HB3 PHE A 88 0.730 -14.761 -2.424 1.00 0.00 H new ATOM 0 HD1 PHE A 88 2.470 -16.530 -2.036 1.00 0.00 H new ATOM 0 HD2 PHE A 88 1.947 -14.669 -5.834 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.692 -17.317 -2.729 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.172 -15.446 -6.522 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.544 -16.775 -4.973 1.00 0.00 H new ATOM 1436 N LEU A 89 -0.641 -16.859 -1.320 1.00 0.00 N ATOM 1437 CA LEU A 89 -0.535 -17.795 -0.204 1.00 0.00 C ATOM 1438 C LEU A 89 -1.603 -18.883 -0.280 1.00 0.00 C ATOM 1439 O LEU A 89 -1.387 -20.007 0.175 1.00 0.00 O ATOM 1440 CB LEU A 89 -0.640 -17.053 1.130 1.00 0.00 C ATOM 1441 CG LEU A 89 0.232 -17.620 2.252 1.00 0.00 C ATOM 1442 CD1 LEU A 89 1.687 -17.696 1.812 1.00 0.00 C ATOM 1443 CD2 LEU A 89 0.099 -16.778 3.510 1.00 0.00 C ATOM 0 H LEU A 89 -1.025 -15.947 -1.073 1.00 0.00 H new ATOM 0 HA LEU A 89 0.441 -18.275 -0.271 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.369 -16.009 0.971 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.680 -17.066 1.456 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.112 -18.629 2.477 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.292 -18.102 2.623 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.770 -18.343 0.939 1.00 0.00 H new ATOM 0 HD13 LEU A 89 2.043 -16.698 1.558 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.727 -17.197 4.296 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.415 -15.756 3.299 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.940 -16.776 3.838 1.00 0.00 H new ATOM 1455 N LYS A 90 -2.753 -18.550 -0.857 1.00 0.00 N ATOM 1456 CA LYS A 90 -3.843 -19.510 -0.989 1.00 0.00 C ATOM 1457 C LYS A 90 -3.637 -20.406 -2.208 1.00 0.00 C ATOM 1458 O LYS A 90 -4.263 -21.459 -2.327 1.00 0.00 O ATOM 1459 CB LYS A 90 -5.186 -18.783 -1.104 1.00 0.00 C ATOM 1460 CG LYS A 90 -5.966 -18.729 0.201 1.00 0.00 C ATOM 1461 CD LYS A 90 -5.176 -18.029 1.296 1.00 0.00 C ATOM 1462 CE LYS A 90 -4.925 -18.950 2.478 1.00 0.00 C ATOM 1463 NZ LYS A 90 -3.846 -18.434 3.364 1.00 0.00 N ATOM 0 H LYS A 90 -2.954 -17.626 -1.239 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.849 -20.134 -0.095 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -5.010 -17.766 -1.454 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -5.794 -19.279 -1.860 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.909 -18.206 0.041 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.213 -19.741 0.520 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.224 -17.683 0.894 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -5.720 -17.146 1.631 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -5.844 -19.062 3.053 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -4.654 -19.941 2.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -3.413 -19.226 3.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -3.122 -17.959 2.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -4.248 -17.756 4.042 1.00 0.00 H new ATOM 1477 N SER A 91 -2.771 -19.974 -3.119 1.00 0.00 N ATOM 1478 CA SER A 91 -2.499 -20.728 -4.335 1.00 0.00 C ATOM 1479 C SER A 91 -1.747 -22.028 -4.057 1.00 0.00 C ATOM 1480 O SER A 91 -2.154 -23.092 -4.525 1.00 0.00 O ATOM 1481 CB SER A 91 -1.699 -19.871 -5.316 1.00 0.00 C ATOM 1482 OG SER A 91 -1.495 -20.555 -6.541 1.00 0.00 O ATOM 0 H SER A 91 -2.245 -19.104 -3.037 1.00 0.00 H new ATOM 0 HA SER A 91 -3.462 -20.992 -4.771 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.227 -18.936 -5.501 1.00 0.00 H new ATOM 0 HB3 SER A 91 -0.736 -19.611 -4.876 1.00 0.00 H new ATOM 0 HG SER A 91 -0.982 -19.986 -7.152 1.00 0.00 H new