USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 701 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 38 THR OG1 : rot -40:sc= 0.9 USER MOD Set 1.2: A 54 LYS NZ :NH3+ -148:sc= 0.885 (180deg=0) USER MOD Set 2.1: A 6 ASN : amide:sc= 0 X(o=0.13,f=0.033) USER MOD Set 2.2: A 25 SER OG : rot -15:sc= 0.131 USER MOD Single : A 8 LYS NZ :NH3+ 134:sc= -2.61! (180deg=-5.63!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -114:sc= 1.33 USER MOD Single : A 14 LYS NZ :NH3+ -166:sc= -0.053 (180deg=-0.274) USER MOD Single : A 17 LYS NZ :NH3+ -116:sc= 1.29 (180deg=-0.0173) USER MOD Single : A 18 ASN : amide:sc= -0.815 K(o=-0.82,f=-1.9!) USER MOD Single : A 21 MET CE :methyl 155:sc= -0.245 (180deg=-0.945) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= 0.22 K(o=0.22,f=-1.4!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= -3.12! USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= -0.142 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 163:sc= -0.0513 (180deg=-0.339) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -146:sc= -3.14! (180deg=-5.85!) USER MOD Single : A 84 SER OG : rot 73:sc= 1.24 USER MOD Single : A 86 TYR OH : rot 170:sc= -1.13 USER MOD ----------------------------------------------------------------- ATOM 67 N ASN A 6 -2.222 -6.971 -5.917 1.00 0.27 N ATOM 68 CA ASN A 6 -3.563 -7.548 -5.923 1.00 0.24 C ATOM 69 C ASN A 6 -4.617 -6.517 -5.523 1.00 0.24 C ATOM 70 O ASN A 6 -4.695 -6.133 -4.360 1.00 0.25 O ATOM 71 CB ASN A 6 -3.631 -8.742 -4.970 1.00 0.28 C ATOM 72 CG ASN A 6 -2.798 -9.911 -5.453 1.00 0.92 C ATOM 73 OD1 ASN A 6 -1.647 -10.080 -5.050 1.00 1.72 O ATOM 74 ND2 ASN A 6 -3.379 -10.720 -6.332 1.00 0.87 N ATOM 0 HA ASN A 6 -3.774 -7.879 -6.940 1.00 0.24 H new ATOM 0 HB2 ASN A 6 -3.286 -8.436 -3.983 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -4.668 -9.058 -4.861 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -2.869 -11.522 -6.702 1.00 0.87 H new ATOM 0 HD22 ASN A 6 -4.336 -10.539 -6.637 1.00 0.87 H new ATOM 81 N PRO A 7 -5.464 -6.071 -6.472 1.00 0.25 N ATOM 82 CA PRO A 7 -6.509 -5.084 -6.186 1.00 0.26 C ATOM 83 C PRO A 7 -7.511 -5.616 -5.173 1.00 0.26 C ATOM 84 O PRO A 7 -8.382 -4.888 -4.700 1.00 0.26 O ATOM 85 CB PRO A 7 -7.184 -4.855 -7.547 1.00 0.28 C ATOM 86 CG PRO A 7 -6.211 -5.370 -8.553 1.00 0.43 C ATOM 87 CD PRO A 7 -5.495 -6.501 -7.877 1.00 0.29 C ATOM 0 HA PRO A 7 -6.106 -4.169 -5.752 1.00 0.26 H new ATOM 0 HB2 PRO A 7 -8.134 -5.385 -7.610 1.00 0.28 H new ATOM 0 HB3 PRO A 7 -7.397 -3.798 -7.709 1.00 0.28 H new ATOM 0 HG2 PRO A 7 -6.722 -5.711 -9.454 1.00 0.43 H new ATOM 0 HG3 PRO A 7 -5.513 -4.591 -8.858 1.00 0.43 H new ATOM 0 HD2 PRO A 7 -6.024 -7.446 -8.000 1.00 0.29 H new ATOM 0 HD3 PRO A 7 -4.492 -6.643 -8.279 1.00 0.29 H new ATOM 95 N LYS A 8 -7.385 -6.898 -4.854 1.00 0.30 N ATOM 96 CA LYS A 8 -8.263 -7.533 -3.886 1.00 0.33 C ATOM 97 C LYS A 8 -7.831 -7.189 -2.467 1.00 0.27 C ATOM 98 O LYS A 8 -8.620 -6.685 -1.667 1.00 0.26 O ATOM 99 CB LYS A 8 -8.262 -9.052 -4.068 1.00 0.43 C ATOM 100 CG LYS A 8 -9.082 -9.546 -5.252 1.00 0.77 C ATOM 101 CD LYS A 8 -8.489 -9.121 -6.583 1.00 0.59 C ATOM 102 CE LYS A 8 -7.134 -9.757 -6.797 1.00 0.73 C ATOM 103 NZ LYS A 8 -6.623 -9.538 -8.177 1.00 1.39 N ATOM 0 H LYS A 8 -6.681 -7.518 -5.254 1.00 0.30 H new ATOM 0 HA LYS A 8 -9.273 -7.158 -4.053 1.00 0.33 H new ATOM 0 HB2 LYS A 8 -7.233 -9.390 -4.188 1.00 0.43 H new ATOM 0 HB3 LYS A 8 -8.645 -9.515 -3.158 1.00 0.43 H new ATOM 0 HG2 LYS A 8 -9.147 -10.633 -5.217 1.00 0.77 H new ATOM 0 HG3 LYS A 8 -10.099 -9.163 -5.171 1.00 0.77 H new ATOM 0 HD2 LYS A 8 -9.161 -9.406 -7.393 1.00 0.59 H new ATOM 0 HD3 LYS A 8 -8.395 -8.036 -6.614 1.00 0.59 H new ATOM 0 HE2 LYS A 8 -6.424 -9.346 -6.079 1.00 0.73 H new ATOM 0 HE3 LYS A 8 -7.202 -10.827 -6.602 1.00 0.73 H new ATOM 0 HZ1 LYS A 8 -5.627 -9.241 -8.135 1.00 1.39 H new ATOM 0 HZ2 LYS A 8 -6.698 -10.422 -8.719 1.00 1.39 H new ATOM 0 HZ3 LYS A 8 -7.186 -8.797 -8.642 1.00 1.39 H new ATOM 117 N SER A 9 -6.568 -7.469 -2.168 1.00 0.26 N ATOM 118 CA SER A 9 -6.012 -7.204 -0.849 1.00 0.26 C ATOM 119 C SER A 9 -5.714 -5.724 -0.657 1.00 0.19 C ATOM 120 O SER A 9 -5.898 -5.181 0.432 1.00 0.23 O ATOM 121 CB SER A 9 -4.741 -8.031 -0.642 1.00 0.33 C ATOM 122 OG SER A 9 -5.031 -9.264 -0.007 1.00 0.71 O ATOM 0 H SER A 9 -5.907 -7.882 -2.826 1.00 0.26 H new ATOM 0 HA SER A 9 -6.755 -7.492 -0.106 1.00 0.26 H new ATOM 0 HB2 SER A 9 -4.264 -8.218 -1.604 1.00 0.33 H new ATOM 0 HB3 SER A 9 -4.030 -7.466 -0.039 1.00 0.33 H new ATOM 0 HG SER A 9 -4.202 -9.774 0.112 1.00 0.71 H new ATOM 128 N LEU A 10 -5.255 -5.073 -1.718 1.00 0.15 N ATOM 129 CA LEU A 10 -4.934 -3.655 -1.656 1.00 0.20 C ATOM 130 C LEU A 10 -6.179 -2.817 -1.401 1.00 0.19 C ATOM 131 O LEU A 10 -6.081 -1.621 -1.137 1.00 0.27 O ATOM 132 CB LEU A 10 -4.278 -3.205 -2.958 1.00 0.24 C ATOM 133 CG LEU A 10 -3.020 -3.976 -3.346 1.00 0.27 C ATOM 134 CD1 LEU A 10 -2.551 -3.571 -4.732 1.00 0.47 C ATOM 135 CD2 LEU A 10 -1.923 -3.747 -2.322 1.00 0.50 C ATOM 0 H LEU A 10 -5.097 -5.504 -2.629 1.00 0.15 H new ATOM 0 HA LEU A 10 -4.242 -3.508 -0.827 1.00 0.20 H new ATOM 0 HB2 LEU A 10 -5.005 -3.297 -3.765 1.00 0.24 H new ATOM 0 HB3 LEU A 10 -4.027 -2.148 -2.874 1.00 0.24 H new ATOM 0 HG LEU A 10 -3.258 -5.039 -3.364 1.00 0.27 H new ATOM 0 HD11 LEU A 10 -1.653 -4.132 -4.990 1.00 0.47 H new ATOM 0 HD12 LEU A 10 -3.335 -3.786 -5.459 1.00 0.47 H new ATOM 0 HD13 LEU A 10 -2.328 -2.504 -4.743 1.00 0.47 H new ATOM 0 HD21 LEU A 10 -1.032 -4.304 -2.613 1.00 0.50 H new ATOM 0 HD22 LEU A 10 -1.687 -2.684 -2.273 1.00 0.50 H new ATOM 0 HD23 LEU A 10 -2.261 -4.089 -1.344 1.00 0.50 H new ATOM 147 N THR A 11 -7.350 -3.436 -1.470 1.00 0.14 N ATOM 148 CA THR A 11 -8.586 -2.697 -1.257 1.00 0.18 C ATOM 149 C THR A 11 -9.472 -3.370 -0.217 1.00 0.15 C ATOM 150 O THR A 11 -10.668 -3.092 -0.131 1.00 0.18 O ATOM 151 CB THR A 11 -9.361 -2.525 -2.574 1.00 0.25 C ATOM 152 OG1 THR A 11 -10.005 -3.755 -2.930 1.00 0.31 O ATOM 153 CG2 THR A 11 -8.416 -2.101 -3.692 1.00 0.35 C ATOM 0 H THR A 11 -7.470 -4.429 -1.668 1.00 0.14 H new ATOM 0 HA THR A 11 -8.308 -1.712 -0.881 1.00 0.18 H new ATOM 0 HB THR A 11 -10.116 -1.751 -2.434 1.00 0.25 H new ATOM 0 HG1 THR A 11 -9.608 -4.106 -3.754 1.00 0.31 H new ATOM 0 HG21 THR A 11 -8.978 -1.983 -4.618 1.00 0.35 H new ATOM 0 HG22 THR A 11 -7.945 -1.154 -3.430 1.00 0.35 H new ATOM 0 HG23 THR A 11 -7.648 -2.863 -3.828 1.00 0.35 H new ATOM 161 N ASP A 12 -8.872 -4.254 0.569 1.00 0.11 N ATOM 162 CA ASP A 12 -9.593 -4.953 1.617 1.00 0.12 C ATOM 163 C ASP A 12 -9.107 -4.439 2.966 1.00 0.11 C ATOM 164 O ASP A 12 -7.944 -4.637 3.318 1.00 0.10 O ATOM 165 CB ASP A 12 -9.374 -6.463 1.507 1.00 0.14 C ATOM 166 CG ASP A 12 -10.390 -7.251 2.309 1.00 0.24 C ATOM 167 OD1 ASP A 12 -10.180 -7.428 3.527 1.00 0.51 O ATOM 168 OD2 ASP A 12 -11.398 -7.693 1.718 1.00 0.57 O ATOM 0 H ASP A 12 -7.885 -4.502 0.498 1.00 0.11 H new ATOM 0 HA ASP A 12 -10.662 -4.766 1.515 1.00 0.12 H new ATOM 0 HB2 ASP A 12 -9.431 -6.761 0.460 1.00 0.14 H new ATOM 0 HB3 ASP A 12 -8.370 -6.709 1.854 1.00 0.14 H new ATOM 173 N PRO A 13 -9.979 -3.766 3.740 1.00 0.11 N ATOM 174 CA PRO A 13 -9.609 -3.203 5.037 1.00 0.11 C ATOM 175 C PRO A 13 -8.788 -4.146 5.910 1.00 0.12 C ATOM 176 O PRO A 13 -8.123 -3.703 6.843 1.00 0.13 O ATOM 177 CB PRO A 13 -10.956 -2.907 5.683 1.00 0.12 C ATOM 178 CG PRO A 13 -11.827 -2.566 4.531 1.00 0.12 C ATOM 179 CD PRO A 13 -11.393 -3.482 3.415 1.00 0.11 C ATOM 0 HA PRO A 13 -8.964 -2.332 4.919 1.00 0.11 H new ATOM 0 HB2 PRO A 13 -11.336 -3.769 6.232 1.00 0.12 H new ATOM 0 HB3 PRO A 13 -10.888 -2.082 6.392 1.00 0.12 H new ATOM 0 HG2 PRO A 13 -12.879 -2.716 4.776 1.00 0.12 H new ATOM 0 HG3 PRO A 13 -11.712 -1.520 4.248 1.00 0.12 H new ATOM 0 HD2 PRO A 13 -11.990 -4.393 3.387 1.00 0.11 H new ATOM 0 HD3 PRO A 13 -11.494 -3.005 2.440 1.00 0.11 H new ATOM 187 N LYS A 14 -8.842 -5.443 5.627 1.00 0.13 N ATOM 188 CA LYS A 14 -8.071 -6.404 6.407 1.00 0.15 C ATOM 189 C LYS A 14 -6.589 -6.072 6.290 1.00 0.13 C ATOM 190 O LYS A 14 -5.885 -5.942 7.293 1.00 0.16 O ATOM 191 CB LYS A 14 -8.335 -7.834 5.929 1.00 0.18 C ATOM 192 CG LYS A 14 -8.215 -8.883 7.030 1.00 0.34 C ATOM 193 CD LYS A 14 -6.834 -8.881 7.674 1.00 0.60 C ATOM 194 CE LYS A 14 -5.749 -9.233 6.670 1.00 0.54 C ATOM 195 NZ LYS A 14 -5.964 -10.577 6.067 1.00 1.37 N ATOM 0 H LYS A 14 -9.401 -5.848 4.876 1.00 0.13 H new ATOM 0 HA LYS A 14 -8.378 -6.339 7.451 1.00 0.15 H new ATOM 0 HB2 LYS A 14 -9.335 -7.885 5.499 1.00 0.18 H new ATOM 0 HB3 LYS A 14 -7.633 -8.076 5.131 1.00 0.18 H new ATOM 0 HG2 LYS A 14 -8.971 -8.696 7.793 1.00 0.34 H new ATOM 0 HG3 LYS A 14 -8.419 -9.870 6.614 1.00 0.34 H new ATOM 0 HD2 LYS A 14 -6.632 -7.898 8.100 1.00 0.60 H new ATOM 0 HD3 LYS A 14 -6.815 -9.595 8.497 1.00 0.60 H new ATOM 0 HE2 LYS A 14 -5.727 -8.481 5.881 1.00 0.54 H new ATOM 0 HE3 LYS A 14 -4.777 -9.208 7.162 1.00 0.54 H new ATOM 0 HZ1 LYS A 14 -5.098 -10.880 5.577 1.00 1.37 H new ATOM 0 HZ2 LYS A 14 -6.196 -11.260 6.816 1.00 1.37 H new ATOM 0 HZ3 LYS A 14 -6.748 -10.530 5.386 1.00 1.37 H new ATOM 209 N LEU A 15 -6.127 -5.933 5.054 1.00 0.09 N ATOM 210 CA LEU A 15 -4.740 -5.593 4.779 1.00 0.08 C ATOM 211 C LEU A 15 -4.488 -4.127 5.072 1.00 0.08 C ATOM 212 O LEU A 15 -3.510 -3.765 5.717 1.00 0.09 O ATOM 213 CB LEU A 15 -4.409 -5.860 3.310 1.00 0.08 C ATOM 214 CG LEU A 15 -4.373 -7.326 2.888 1.00 0.10 C ATOM 215 CD1 LEU A 15 -3.419 -8.092 3.780 1.00 0.12 C ATOM 216 CD2 LEU A 15 -5.766 -7.939 2.929 1.00 0.12 C ATOM 0 H LEU A 15 -6.701 -6.052 4.219 1.00 0.09 H new ATOM 0 HA LEU A 15 -4.109 -6.210 5.418 1.00 0.08 H new ATOM 0 HB2 LEU A 15 -5.144 -5.343 2.693 1.00 0.08 H new ATOM 0 HB3 LEU A 15 -3.438 -5.415 3.090 1.00 0.08 H new ATOM 0 HG LEU A 15 -4.018 -7.386 1.859 1.00 0.10 H new ATOM 0 HD11 LEU A 15 -3.396 -9.138 3.475 1.00 0.12 H new ATOM 0 HD12 LEU A 15 -2.419 -7.667 3.693 1.00 0.12 H new ATOM 0 HD13 LEU A 15 -3.754 -8.023 4.815 1.00 0.12 H new ATOM 0 HD21 LEU A 15 -5.713 -8.984 2.624 1.00 0.12 H new ATOM 0 HD22 LEU A 15 -6.161 -7.877 3.943 1.00 0.12 H new ATOM 0 HD23 LEU A 15 -6.423 -7.396 2.250 1.00 0.12 H new ATOM 228 N LEU A 16 -5.384 -3.292 4.578 1.00 0.10 N ATOM 229 CA LEU A 16 -5.281 -1.856 4.753 1.00 0.12 C ATOM 230 C LEU A 16 -5.063 -1.489 6.220 1.00 0.16 C ATOM 231 O LEU A 16 -4.151 -0.729 6.547 1.00 0.27 O ATOM 232 CB LEU A 16 -6.545 -1.201 4.203 1.00 0.10 C ATOM 233 CG LEU A 16 -6.943 -1.683 2.808 1.00 0.10 C ATOM 234 CD1 LEU A 16 -8.367 -1.265 2.477 1.00 0.10 C ATOM 235 CD2 LEU A 16 -5.968 -1.150 1.770 1.00 0.18 C ATOM 0 H LEU A 16 -6.201 -3.590 4.046 1.00 0.10 H new ATOM 0 HA LEU A 16 -4.414 -1.488 4.204 1.00 0.12 H new ATOM 0 HB2 LEU A 16 -7.369 -1.393 4.890 1.00 0.10 H new ATOM 0 HB3 LEU A 16 -6.398 -0.121 4.174 1.00 0.10 H new ATOM 0 HG LEU A 16 -6.903 -2.772 2.794 1.00 0.10 H new ATOM 0 HD11 LEU A 16 -8.628 -1.619 1.480 1.00 0.10 H new ATOM 0 HD12 LEU A 16 -9.052 -1.698 3.206 1.00 0.10 H new ATOM 0 HD13 LEU A 16 -8.444 -0.178 2.508 1.00 0.10 H new ATOM 0 HD21 LEU A 16 -6.262 -1.500 0.781 1.00 0.18 H new ATOM 0 HD22 LEU A 16 -5.978 -0.060 1.787 1.00 0.18 H new ATOM 0 HD23 LEU A 16 -4.963 -1.507 1.997 1.00 0.18 H new ATOM 247 N LYS A 17 -5.901 -2.030 7.099 1.00 0.14 N ATOM 248 CA LYS A 17 -5.775 -1.770 8.529 1.00 0.17 C ATOM 249 C LYS A 17 -4.473 -2.359 9.061 1.00 0.18 C ATOM 250 O LYS A 17 -3.919 -1.883 10.053 1.00 0.22 O ATOM 251 CB LYS A 17 -6.959 -2.362 9.286 1.00 0.19 C ATOM 252 CG LYS A 17 -8.266 -1.654 9.008 1.00 0.20 C ATOM 253 CD LYS A 17 -9.425 -2.392 9.645 1.00 0.24 C ATOM 254 CE LYS A 17 -10.740 -1.691 9.382 1.00 0.31 C ATOM 255 NZ LYS A 17 -10.993 -0.598 10.361 1.00 0.88 N ATOM 0 H LYS A 17 -6.672 -2.649 6.848 1.00 0.14 H new ATOM 0 HA LYS A 17 -5.765 -0.691 8.682 1.00 0.17 H new ATOM 0 HB2 LYS A 17 -7.061 -3.414 9.020 1.00 0.19 H new ATOM 0 HB3 LYS A 17 -6.753 -2.322 10.356 1.00 0.19 H new ATOM 0 HG2 LYS A 17 -8.222 -0.635 9.394 1.00 0.20 H new ATOM 0 HG3 LYS A 17 -8.423 -1.581 7.932 1.00 0.20 H new ATOM 0 HD2 LYS A 17 -9.469 -3.409 9.255 1.00 0.24 H new ATOM 0 HD3 LYS A 17 -9.262 -2.470 10.720 1.00 0.24 H new ATOM 0 HE2 LYS A 17 -10.737 -1.280 8.372 1.00 0.31 H new ATOM 0 HE3 LYS A 17 -11.553 -2.415 9.429 1.00 0.31 H new ATOM 0 HZ1 LYS A 17 -11.836 -0.826 10.926 1.00 0.88 H new ATOM 0 HZ2 LYS A 17 -10.171 -0.498 10.990 1.00 0.88 H new ATOM 0 HZ3 LYS A 17 -11.150 0.295 9.852 1.00 0.88 H new ATOM 269 N ASN A 18 -3.994 -3.401 8.388 1.00 0.14 N ATOM 270 CA ASN A 18 -2.756 -4.067 8.769 1.00 0.15 C ATOM 271 C ASN A 18 -1.729 -3.896 7.661 1.00 0.13 C ATOM 272 O ASN A 18 -1.401 -4.853 6.964 1.00 0.11 O ATOM 273 CB ASN A 18 -3.009 -5.560 9.016 1.00 0.16 C ATOM 274 CG ASN A 18 -2.210 -6.097 10.190 1.00 0.24 C ATOM 275 OD1 ASN A 18 -1.854 -5.355 11.106 1.00 0.50 O ATOM 276 ND2 ASN A 18 -1.932 -7.396 10.170 1.00 0.53 N ATOM 0 H ASN A 18 -4.450 -3.804 7.569 1.00 0.14 H new ATOM 0 HA ASN A 18 -2.380 -3.620 9.689 1.00 0.15 H new ATOM 0 HB2 ASN A 18 -4.071 -5.720 9.200 1.00 0.16 H new ATOM 0 HB3 ASN A 18 -2.753 -6.122 8.118 1.00 0.16 H new ATOM 0 HD21 ASN A 18 -1.403 -7.816 10.934 1.00 0.53 H new ATOM 0 HD22 ASN A 18 -2.247 -7.973 9.390 1.00 0.53 H new ATOM 283 N ILE A 19 -1.236 -2.668 7.496 1.00 0.13 N ATOM 284 CA ILE A 19 -0.256 -2.367 6.454 1.00 0.12 C ATOM 285 C ILE A 19 0.780 -3.484 6.307 1.00 0.10 C ATOM 286 O ILE A 19 1.057 -3.915 5.191 1.00 0.09 O ATOM 287 CB ILE A 19 0.454 -1.015 6.694 1.00 0.15 C ATOM 288 CG1 ILE A 19 -0.494 0.155 6.397 1.00 0.20 C ATOM 289 CG2 ILE A 19 1.706 -0.907 5.832 1.00 0.19 C ATOM 290 CD1 ILE A 19 -0.995 0.193 4.963 1.00 0.49 C ATOM 0 H ILE A 19 -1.499 -1.867 8.070 1.00 0.13 H new ATOM 0 HA ILE A 19 -0.818 -2.293 5.523 1.00 0.12 H new ATOM 0 HB ILE A 19 0.747 -0.967 7.743 1.00 0.15 H new ATOM 0 HG12 ILE A 19 -1.350 0.096 7.069 1.00 0.20 H new ATOM 0 HG13 ILE A 19 0.020 1.091 6.617 1.00 0.20 H new ATOM 0 HG21 ILE A 19 2.192 0.051 6.015 1.00 0.19 H new ATOM 0 HG22 ILE A 19 2.392 -1.716 6.084 1.00 0.19 H new ATOM 0 HG23 ILE A 19 1.431 -0.979 4.780 1.00 0.19 H new ATOM 0 HD11 ILE A 19 -1.659 1.047 4.832 1.00 0.49 H new ATOM 0 HD12 ILE A 19 -0.147 0.285 4.284 1.00 0.49 H new ATOM 0 HD13 ILE A 19 -1.539 -0.726 4.743 1.00 0.49 H new ATOM 302 N PRO A 20 1.393 -3.956 7.413 1.00 0.12 N ATOM 303 CA PRO A 20 2.367 -5.046 7.345 1.00 0.12 C ATOM 304 C PRO A 20 1.855 -6.193 6.485 1.00 0.11 C ATOM 305 O PRO A 20 2.569 -6.732 5.641 1.00 0.14 O ATOM 306 CB PRO A 20 2.482 -5.490 8.799 1.00 0.14 C ATOM 307 CG PRO A 20 2.235 -4.247 9.580 1.00 0.15 C ATOM 308 CD PRO A 20 1.218 -3.461 8.795 1.00 0.14 C ATOM 0 HA PRO A 20 3.314 -4.740 6.900 1.00 0.12 H new ATOM 0 HB2 PRO A 20 1.752 -6.263 9.039 1.00 0.14 H new ATOM 0 HB3 PRO A 20 3.467 -5.905 9.012 1.00 0.14 H new ATOM 0 HG2 PRO A 20 1.863 -4.480 10.578 1.00 0.15 H new ATOM 0 HG3 PRO A 20 3.155 -3.677 9.708 1.00 0.15 H new ATOM 0 HD2 PRO A 20 0.206 -3.637 9.159 1.00 0.14 H new ATOM 0 HD3 PRO A 20 1.399 -2.388 8.863 1.00 0.14 H new ATOM 316 N MET A 21 0.599 -6.550 6.721 1.00 0.10 N ATOM 317 CA MET A 21 -0.068 -7.612 5.982 1.00 0.10 C ATOM 318 C MET A 21 -0.355 -7.144 4.557 1.00 0.08 C ATOM 319 O MET A 21 -0.225 -7.902 3.598 1.00 0.10 O ATOM 320 CB MET A 21 -1.358 -7.977 6.712 1.00 0.13 C ATOM 321 CG MET A 21 -1.830 -9.405 6.493 1.00 0.25 C ATOM 322 SD MET A 21 -0.530 -10.634 6.742 1.00 0.94 S ATOM 323 CE MET A 21 0.237 -10.048 8.250 1.00 0.54 C ATOM 0 H MET A 21 0.014 -6.110 7.431 1.00 0.10 H new ATOM 0 HA MET A 21 0.569 -8.495 5.924 1.00 0.10 H new ATOM 0 HB2 MET A 21 -1.213 -7.817 7.780 1.00 0.13 H new ATOM 0 HB3 MET A 21 -2.146 -7.295 6.392 1.00 0.13 H new ATOM 0 HG2 MET A 21 -2.655 -9.616 7.174 1.00 0.25 H new ATOM 0 HG3 MET A 21 -2.221 -9.500 5.480 1.00 0.25 H new ATOM 0 HE1 MET A 21 0.721 -10.881 8.760 1.00 0.54 H new ATOM 0 HE2 MET A 21 0.981 -9.289 8.009 1.00 0.54 H new ATOM 0 HE3 MET A 21 -0.523 -9.617 8.901 1.00 0.54 H new ATOM 333 N TRP A 22 -0.773 -5.888 4.440 1.00 0.06 N ATOM 334 CA TRP A 22 -1.038 -5.269 3.151 1.00 0.06 C ATOM 335 C TRP A 22 0.171 -5.433 2.240 1.00 0.06 C ATOM 336 O TRP A 22 0.039 -5.618 1.030 1.00 0.08 O ATOM 337 CB TRP A 22 -1.350 -3.789 3.383 1.00 0.07 C ATOM 338 CG TRP A 22 -1.730 -3.027 2.155 1.00 0.08 C ATOM 339 CD1 TRP A 22 -2.952 -2.999 1.552 1.00 0.09 C ATOM 340 CD2 TRP A 22 -0.881 -2.164 1.392 1.00 0.08 C ATOM 341 NE1 TRP A 22 -2.915 -2.175 0.454 1.00 0.10 N ATOM 342 CE2 TRP A 22 -1.654 -1.652 0.334 1.00 0.10 C ATOM 343 CE3 TRP A 22 0.459 -1.779 1.499 1.00 0.09 C ATOM 344 CZ2 TRP A 22 -1.135 -0.775 -0.612 1.00 0.11 C ATOM 345 CZ3 TRP A 22 0.975 -0.906 0.557 1.00 0.10 C ATOM 346 CH2 TRP A 22 0.179 -0.414 -0.486 1.00 0.11 C ATOM 0 H TRP A 22 -0.937 -5.273 5.237 1.00 0.06 H new ATOM 0 HA TRP A 22 -1.889 -5.747 2.666 1.00 0.06 H new ATOM 0 HB2 TRP A 22 -2.162 -3.713 4.106 1.00 0.07 H new ATOM 0 HB3 TRP A 22 -0.477 -3.315 3.832 1.00 0.07 H new ATOM 0 HD1 TRP A 22 -3.821 -3.544 1.888 1.00 0.09 H new ATOM 0 HE1 TRP A 22 -3.698 -1.983 -0.170 1.00 0.10 H new ATOM 0 HE3 TRP A 22 1.078 -2.155 2.300 1.00 0.09 H new ATOM 0 HZ2 TRP A 22 -1.746 -0.393 -1.416 1.00 0.11 H new ATOM 0 HZ3 TRP A 22 2.008 -0.599 0.627 1.00 0.10 H new ATOM 0 HH2 TRP A 22 0.612 0.265 -1.206 1.00 0.11 H new ATOM 357 N LEU A 23 1.347 -5.362 2.846 1.00 0.06 N ATOM 358 CA LEU A 23 2.601 -5.522 2.135 1.00 0.08 C ATOM 359 C LEU A 23 2.865 -6.991 1.821 1.00 0.10 C ATOM 360 O LEU A 23 3.556 -7.308 0.854 1.00 0.13 O ATOM 361 CB LEU A 23 3.739 -4.963 2.979 1.00 0.09 C ATOM 362 CG LEU A 23 3.779 -3.442 3.083 1.00 0.09 C ATOM 363 CD1 LEU A 23 4.802 -3.012 4.117 1.00 0.10 C ATOM 364 CD2 LEU A 23 4.095 -2.828 1.730 1.00 0.10 C ATOM 0 H LEU A 23 1.456 -5.192 3.846 1.00 0.06 H new ATOM 0 HA LEU A 23 2.539 -4.976 1.193 1.00 0.08 H new ATOM 0 HB2 LEU A 23 3.664 -5.379 3.984 1.00 0.09 H new ATOM 0 HB3 LEU A 23 4.685 -5.308 2.561 1.00 0.09 H new ATOM 0 HG LEU A 23 2.798 -3.087 3.400 1.00 0.09 H new ATOM 0 HD11 LEU A 23 4.820 -1.924 4.181 1.00 0.10 H new ATOM 0 HD12 LEU A 23 4.535 -3.428 5.088 1.00 0.10 H new ATOM 0 HD13 LEU A 23 5.788 -3.375 3.826 1.00 0.10 H new ATOM 0 HD21 LEU A 23 4.120 -1.742 1.820 1.00 0.10 H new ATOM 0 HD22 LEU A 23 5.065 -3.186 1.386 1.00 0.10 H new ATOM 0 HD23 LEU A 23 3.327 -3.115 1.012 1.00 0.10 H new ATOM 376 N LYS A 24 2.326 -7.884 2.650 1.00 0.10 N ATOM 377 CA LYS A 24 2.498 -9.307 2.455 1.00 0.13 C ATOM 378 C LYS A 24 2.029 -9.719 1.063 1.00 0.13 C ATOM 379 O LYS A 24 2.653 -10.551 0.406 1.00 0.16 O ATOM 380 CB LYS A 24 1.716 -10.053 3.517 1.00 0.17 C ATOM 381 CG LYS A 24 2.565 -10.971 4.369 1.00 0.51 C ATOM 382 CD LYS A 24 2.191 -12.425 4.152 1.00 1.24 C ATOM 383 CE LYS A 24 0.729 -12.666 4.482 1.00 2.30 C ATOM 384 NZ LYS A 24 0.178 -13.846 3.761 1.00 3.29 N ATOM 0 H LYS A 24 1.765 -7.636 3.465 1.00 0.10 H new ATOM 0 HA LYS A 24 3.556 -9.555 2.541 1.00 0.13 H new ATOM 0 HB2 LYS A 24 1.218 -9.330 4.163 1.00 0.17 H new ATOM 0 HB3 LYS A 24 0.935 -10.640 3.034 1.00 0.17 H new ATOM 0 HG2 LYS A 24 3.618 -10.824 4.128 1.00 0.51 H new ATOM 0 HG3 LYS A 24 2.440 -10.714 5.421 1.00 0.51 H new ATOM 0 HD2 LYS A 24 2.384 -12.703 3.116 1.00 1.24 H new ATOM 0 HD3 LYS A 24 2.818 -13.062 4.775 1.00 1.24 H new ATOM 0 HE2 LYS A 24 0.620 -12.815 5.556 1.00 2.30 H new ATOM 0 HE3 LYS A 24 0.149 -11.780 4.223 1.00 2.30 H new ATOM 0 HZ1 LYS A 24 -0.822 -13.973 4.016 1.00 3.29 H new ATOM 0 HZ2 LYS A 24 0.257 -13.694 2.735 1.00 3.29 H new ATOM 0 HZ3 LYS A 24 0.714 -14.697 4.027 1.00 3.29 H new ATOM 398 N SER A 25 0.920 -9.127 0.622 1.00 0.13 N ATOM 399 CA SER A 25 0.370 -9.418 -0.696 1.00 0.15 C ATOM 400 C SER A 25 1.216 -8.757 -1.779 1.00 0.14 C ATOM 401 O SER A 25 1.094 -9.075 -2.963 1.00 0.20 O ATOM 402 CB SER A 25 -1.083 -8.937 -0.786 1.00 0.20 C ATOM 403 OG SER A 25 -1.597 -9.111 -2.095 1.00 0.96 O ATOM 0 H SER A 25 0.387 -8.444 1.160 1.00 0.13 H new ATOM 0 HA SER A 25 0.388 -10.497 -0.850 1.00 0.15 H new ATOM 0 HB2 SER A 25 -1.697 -9.489 -0.074 1.00 0.20 H new ATOM 0 HB3 SER A 25 -1.139 -7.885 -0.507 1.00 0.20 H new ATOM 0 HG SER A 25 -0.858 -9.273 -2.718 1.00 0.96 H new ATOM 409 N LEU A 26 2.075 -7.834 -1.357 1.00 0.12 N ATOM 410 CA LEU A 26 2.960 -7.122 -2.273 1.00 0.13 C ATOM 411 C LEU A 26 4.394 -7.607 -2.115 1.00 0.16 C ATOM 412 O LEU A 26 5.317 -7.057 -2.716 1.00 0.28 O ATOM 413 CB LEU A 26 2.899 -5.620 -2.007 1.00 0.14 C ATOM 414 CG LEU A 26 1.493 -5.030 -1.996 1.00 0.27 C ATOM 415 CD1 LEU A 26 1.522 -3.581 -1.537 1.00 0.38 C ATOM 416 CD2 LEU A 26 0.863 -5.145 -3.375 1.00 0.66 C ATOM 0 H LEU A 26 2.177 -7.560 -0.380 1.00 0.12 H new ATOM 0 HA LEU A 26 2.627 -7.321 -3.292 1.00 0.13 H new ATOM 0 HB2 LEU A 26 3.371 -5.416 -1.046 1.00 0.14 H new ATOM 0 HB3 LEU A 26 3.488 -5.106 -2.767 1.00 0.14 H new ATOM 0 HG LEU A 26 0.885 -5.596 -1.290 1.00 0.27 H new ATOM 0 HD11 LEU A 26 0.509 -3.179 -1.536 1.00 0.38 H new ATOM 0 HD12 LEU A 26 1.934 -3.527 -0.530 1.00 0.38 H new ATOM 0 HD13 LEU A 26 2.144 -2.997 -2.216 1.00 0.38 H new ATOM 0 HD21 LEU A 26 -0.141 -4.720 -3.353 1.00 0.66 H new ATOM 0 HD22 LEU A 26 1.471 -4.603 -4.099 1.00 0.66 H new ATOM 0 HD23 LEU A 26 0.806 -6.195 -3.663 1.00 0.66 H new ATOM 428 N ARG A 27 4.570 -8.632 -1.287 1.00 0.15 N ATOM 429 CA ARG A 27 5.891 -9.202 -1.035 1.00 0.21 C ATOM 430 C ARG A 27 6.833 -8.163 -0.440 1.00 0.21 C ATOM 431 O ARG A 27 8.047 -8.355 -0.428 1.00 0.35 O ATOM 432 CB ARG A 27 6.487 -9.769 -2.325 1.00 0.31 C ATOM 433 CG ARG A 27 5.917 -11.122 -2.711 1.00 1.11 C ATOM 434 CD ARG A 27 6.515 -12.230 -1.864 1.00 2.02 C ATOM 435 NE ARG A 27 7.866 -12.579 -2.296 1.00 2.71 N ATOM 436 CZ ARG A 27 8.612 -13.513 -1.716 1.00 3.55 C ATOM 437 NH1 ARG A 27 8.142 -14.190 -0.675 1.00 3.89 N ATOM 438 NH2 ARG A 27 9.829 -13.771 -2.174 1.00 4.34 N ATOM 0 H ARG A 27 3.812 -9.087 -0.777 1.00 0.15 H new ATOM 0 HA ARG A 27 5.772 -10.011 -0.314 1.00 0.21 H new ATOM 0 HB2 ARG A 27 6.311 -9.064 -3.138 1.00 0.31 H new ATOM 0 HB3 ARG A 27 7.567 -9.858 -2.208 1.00 0.31 H new ATOM 0 HG2 ARG A 27 4.834 -11.112 -2.589 1.00 1.11 H new ATOM 0 HG3 ARG A 27 6.118 -11.317 -3.764 1.00 1.11 H new ATOM 0 HD2 ARG A 27 6.537 -11.917 -0.820 1.00 2.02 H new ATOM 0 HD3 ARG A 27 5.877 -13.112 -1.918 1.00 2.02 H new ATOM 0 HE ARG A 27 8.260 -12.075 -3.091 1.00 2.71 H new ATOM 0 HH11 ARG A 27 7.207 -13.993 -0.319 1.00 3.89 H new ATOM 0 HH12 ARG A 27 8.716 -14.907 -0.231 1.00 3.89 H new ATOM 0 HH21 ARG A 27 10.194 -13.252 -2.973 1.00 4.34 H new ATOM 0 HH22 ARG A 27 10.400 -14.488 -1.728 1.00 4.34 H new ATOM 452 N LEU A 28 6.268 -7.062 0.044 1.00 0.14 N ATOM 453 CA LEU A 28 7.062 -5.997 0.644 1.00 0.14 C ATOM 454 C LEU A 28 6.886 -5.973 2.148 1.00 0.13 C ATOM 455 O LEU A 28 7.076 -4.936 2.781 1.00 0.13 O ATOM 456 CB LEU A 28 6.671 -4.639 0.052 1.00 0.16 C ATOM 457 CG LEU A 28 6.944 -4.494 -1.444 1.00 0.21 C ATOM 458 CD1 LEU A 28 5.897 -3.608 -2.092 1.00 0.67 C ATOM 459 CD2 LEU A 28 8.341 -3.942 -1.684 1.00 0.67 C ATOM 0 H LEU A 28 5.264 -6.884 0.032 1.00 0.14 H new ATOM 0 HA LEU A 28 8.111 -6.193 0.421 1.00 0.14 H new ATOM 0 HB2 LEU A 28 5.609 -4.471 0.232 1.00 0.16 H new ATOM 0 HB3 LEU A 28 7.212 -3.856 0.584 1.00 0.16 H new ATOM 0 HG LEU A 28 6.887 -5.482 -1.901 1.00 0.21 H new ATOM 0 HD11 LEU A 28 6.107 -3.516 -3.158 1.00 0.67 H new ATOM 0 HD12 LEU A 28 4.910 -4.050 -1.954 1.00 0.67 H new ATOM 0 HD13 LEU A 28 5.920 -2.621 -1.631 1.00 0.67 H new ATOM 0 HD21 LEU A 28 8.515 -3.846 -2.756 1.00 0.67 H new ATOM 0 HD22 LEU A 28 8.431 -2.963 -1.213 1.00 0.67 H new ATOM 0 HD23 LEU A 28 9.079 -4.620 -1.255 1.00 0.67 H new ATOM 471 N HIS A 29 6.501 -7.110 2.727 1.00 0.13 N ATOM 472 CA HIS A 29 6.367 -7.183 4.171 1.00 0.13 C ATOM 473 C HIS A 29 7.732 -6.900 4.767 1.00 0.12 C ATOM 474 O HIS A 29 7.886 -6.678 5.967 1.00 0.13 O ATOM 475 CB HIS A 29 5.857 -8.548 4.625 1.00 0.14 C ATOM 476 CG HIS A 29 6.625 -9.699 4.052 1.00 0.16 C ATOM 477 ND1 HIS A 29 6.422 -10.174 2.774 1.00 0.22 N ATOM 478 CD2 HIS A 29 7.600 -10.472 4.588 1.00 0.29 C ATOM 479 CE1 HIS A 29 7.235 -11.189 2.547 1.00 0.20 C ATOM 480 NE2 HIS A 29 7.961 -11.391 3.631 1.00 0.24 N ATOM 0 H HIS A 29 6.282 -7.972 2.227 1.00 0.13 H new ATOM 0 HA HIS A 29 5.634 -6.451 4.509 1.00 0.13 H new ATOM 0 HB2 HIS A 29 5.901 -8.599 5.713 1.00 0.14 H new ATOM 0 HB3 HIS A 29 4.809 -8.646 4.344 1.00 0.14 H new ATOM 0 HD2 HIS A 29 8.016 -10.383 5.581 1.00 0.29 H new ATOM 0 HE1 HIS A 29 7.296 -11.757 1.631 1.00 0.20 H new ATOM 0 HE2 HIS A 29 8.674 -12.112 3.741 1.00 0.24 H new ATOM 489 N LYS A 30 8.722 -6.936 3.883 1.00 0.12 N ATOM 490 CA LYS A 30 10.095 -6.643 4.231 1.00 0.12 C ATOM 491 C LYS A 30 10.178 -5.246 4.819 1.00 0.11 C ATOM 492 O LYS A 30 10.959 -4.975 5.731 1.00 0.17 O ATOM 493 CB LYS A 30 10.977 -6.741 2.981 1.00 0.15 C ATOM 494 CG LYS A 30 10.343 -6.227 1.710 1.00 0.28 C ATOM 495 CD LYS A 30 10.596 -7.192 0.567 1.00 0.59 C ATOM 496 CE LYS A 30 10.519 -6.487 -0.766 1.00 0.65 C ATOM 497 NZ LYS A 30 11.102 -7.303 -1.866 1.00 0.72 N ATOM 0 H LYS A 30 8.587 -7.172 2.900 1.00 0.12 H new ATOM 0 HA LYS A 30 10.447 -7.364 4.969 1.00 0.12 H new ATOM 0 HB2 LYS A 30 11.898 -6.186 3.160 1.00 0.15 H new ATOM 0 HB3 LYS A 30 11.257 -7.784 2.833 1.00 0.15 H new ATOM 0 HG2 LYS A 30 9.270 -6.100 1.856 1.00 0.28 H new ATOM 0 HG3 LYS A 30 10.750 -5.246 1.464 1.00 0.28 H new ATOM 0 HD2 LYS A 30 11.578 -7.650 0.684 1.00 0.59 H new ATOM 0 HD3 LYS A 30 9.863 -7.998 0.598 1.00 0.59 H new ATOM 0 HE2 LYS A 30 9.478 -6.260 -0.996 1.00 0.65 H new ATOM 0 HE3 LYS A 30 11.046 -5.535 -0.703 1.00 0.65 H new ATOM 0 HZ1 LYS A 30 11.028 -6.781 -2.762 1.00 0.72 H new ATOM 0 HZ2 LYS A 30 12.103 -7.498 -1.661 1.00 0.72 H new ATOM 0 HZ3 LYS A 30 10.583 -8.201 -1.945 1.00 0.72 H new ATOM 511 N TYR A 31 9.350 -4.365 4.273 1.00 0.10 N ATOM 512 CA TYR A 31 9.279 -2.985 4.714 1.00 0.10 C ATOM 513 C TYR A 31 8.032 -2.756 5.552 1.00 0.11 C ATOM 514 O TYR A 31 7.565 -1.626 5.689 1.00 0.16 O ATOM 515 CB TYR A 31 9.293 -2.059 3.504 1.00 0.12 C ATOM 516 CG TYR A 31 10.561 -2.178 2.695 1.00 0.15 C ATOM 517 CD1 TYR A 31 11.809 -2.040 3.293 1.00 0.21 C ATOM 518 CD2 TYR A 31 10.511 -2.450 1.338 1.00 0.16 C ATOM 519 CE1 TYR A 31 12.971 -2.165 2.558 1.00 0.25 C ATOM 520 CE2 TYR A 31 11.669 -2.580 0.595 1.00 0.20 C ATOM 521 CZ TYR A 31 12.896 -2.437 1.208 1.00 0.23 C ATOM 522 OH TYR A 31 14.050 -2.565 0.470 1.00 0.28 O ATOM 0 H TYR A 31 8.710 -4.591 3.512 1.00 0.10 H new ATOM 0 HA TYR A 31 10.147 -2.765 5.336 1.00 0.10 H new ATOM 0 HB2 TYR A 31 8.438 -2.287 2.867 1.00 0.12 H new ATOM 0 HB3 TYR A 31 9.176 -1.028 3.839 1.00 0.12 H new ATOM 0 HD1 TYR A 31 11.870 -1.831 4.351 1.00 0.21 H new ATOM 0 HD2 TYR A 31 9.553 -2.562 0.853 1.00 0.16 H new ATOM 0 HE1 TYR A 31 13.932 -2.051 3.037 1.00 0.25 H new ATOM 0 HE2 TYR A 31 11.613 -2.793 -0.462 1.00 0.20 H new ATOM 0 HH TYR A 31 13.822 -2.757 -0.463 1.00 0.28 H new ATOM 532 N SER A 32 7.495 -3.839 6.107 1.00 0.10 N ATOM 533 CA SER A 32 6.311 -3.753 6.946 1.00 0.12 C ATOM 534 C SER A 32 6.577 -2.842 8.124 1.00 0.13 C ATOM 535 O SER A 32 5.743 -2.024 8.485 1.00 0.16 O ATOM 536 CB SER A 32 5.892 -5.136 7.444 1.00 0.13 C ATOM 537 OG SER A 32 5.151 -5.834 6.461 1.00 1.30 O ATOM 0 H SER A 32 7.863 -4.783 5.989 1.00 0.10 H new ATOM 0 HA SER A 32 5.498 -3.342 6.347 1.00 0.12 H new ATOM 0 HB2 SER A 32 6.778 -5.712 7.712 1.00 0.13 H new ATOM 0 HB3 SER A 32 5.293 -5.033 8.349 1.00 0.13 H new ATOM 0 HG SER A 32 4.898 -6.715 6.807 1.00 1.30 H new ATOM 543 N ASP A 33 7.751 -2.988 8.714 1.00 0.12 N ATOM 544 CA ASP A 33 8.143 -2.182 9.847 1.00 0.14 C ATOM 545 C ASP A 33 8.277 -0.707 9.462 1.00 0.14 C ATOM 546 O ASP A 33 7.893 0.181 10.223 1.00 0.20 O ATOM 547 CB ASP A 33 9.464 -2.704 10.396 1.00 0.17 C ATOM 548 CG ASP A 33 9.352 -4.117 10.931 1.00 1.10 C ATOM 549 OD1 ASP A 33 9.497 -5.067 10.134 1.00 2.21 O ATOM 550 OD2 ASP A 33 9.119 -4.276 12.148 1.00 1.00 O ATOM 0 H ASP A 33 8.453 -3.667 8.419 1.00 0.12 H new ATOM 0 HA ASP A 33 7.369 -2.253 10.611 1.00 0.14 H new ATOM 0 HB2 ASP A 33 10.217 -2.676 9.609 1.00 0.17 H new ATOM 0 HB3 ASP A 33 9.809 -2.044 11.192 1.00 0.17 H new ATOM 555 N ALA A 34 8.827 -0.456 8.276 1.00 0.12 N ATOM 556 CA ALA A 34 9.026 0.907 7.788 1.00 0.13 C ATOM 557 C ALA A 34 7.743 1.515 7.236 1.00 0.12 C ATOM 558 O ALA A 34 7.611 2.735 7.153 1.00 0.15 O ATOM 559 CB ALA A 34 10.115 0.924 6.727 1.00 0.15 C ATOM 0 H ALA A 34 9.144 -1.182 7.633 1.00 0.12 H new ATOM 0 HA ALA A 34 9.333 1.518 8.637 1.00 0.13 H new ATOM 0 HB1 ALA A 34 10.257 1.943 6.368 1.00 0.15 H new ATOM 0 HB2 ALA A 34 11.047 0.557 7.156 1.00 0.15 H new ATOM 0 HB3 ALA A 34 9.822 0.284 5.895 1.00 0.15 H new ATOM 565 N LEU A 35 6.794 0.665 6.874 1.00 0.10 N ATOM 566 CA LEU A 35 5.534 1.126 6.306 1.00 0.09 C ATOM 567 C LEU A 35 4.372 0.977 7.287 1.00 0.09 C ATOM 568 O LEU A 35 3.295 1.529 7.067 1.00 0.12 O ATOM 569 CB LEU A 35 5.240 0.346 5.019 1.00 0.09 C ATOM 570 CG LEU A 35 5.765 0.955 3.704 1.00 0.19 C ATOM 571 CD1 LEU A 35 6.822 2.036 3.933 1.00 0.47 C ATOM 572 CD2 LEU A 35 6.310 -0.139 2.786 1.00 0.14 C ATOM 0 H LEU A 35 6.871 -0.348 6.963 1.00 0.10 H new ATOM 0 HA LEU A 35 5.635 2.188 6.084 1.00 0.09 H new ATOM 0 HB2 LEU A 35 5.662 -0.654 5.123 1.00 0.09 H new ATOM 0 HB3 LEU A 35 4.160 0.228 4.932 1.00 0.09 H new ATOM 0 HG LEU A 35 4.916 1.440 3.221 1.00 0.19 H new ATOM 0 HD11 LEU A 35 7.155 2.429 2.972 1.00 0.47 H new ATOM 0 HD12 LEU A 35 6.394 2.844 4.526 1.00 0.47 H new ATOM 0 HD13 LEU A 35 7.672 1.607 4.464 1.00 0.47 H new ATOM 0 HD21 LEU A 35 6.676 0.310 1.863 1.00 0.14 H new ATOM 0 HD22 LEU A 35 7.127 -0.659 3.285 1.00 0.14 H new ATOM 0 HD23 LEU A 35 5.516 -0.849 2.554 1.00 0.14 H new ATOM 584 N SER A 36 4.592 0.244 8.375 1.00 0.10 N ATOM 585 CA SER A 36 3.544 0.025 9.369 1.00 0.10 C ATOM 586 C SER A 36 3.169 1.330 10.059 1.00 0.10 C ATOM 587 O SER A 36 1.990 1.621 10.257 1.00 0.11 O ATOM 588 CB SER A 36 3.988 -0.995 10.419 1.00 0.13 C ATOM 589 OG SER A 36 2.985 -1.186 11.403 1.00 0.95 O ATOM 0 H SER A 36 5.481 -0.206 8.591 1.00 0.10 H new ATOM 0 HA SER A 36 2.672 -0.364 8.843 1.00 0.10 H new ATOM 0 HB2 SER A 36 4.212 -1.945 9.935 1.00 0.13 H new ATOM 0 HB3 SER A 36 4.908 -0.655 10.895 1.00 0.13 H new ATOM 0 HG SER A 36 3.293 -1.844 12.061 1.00 0.95 H new ATOM 595 N GLY A 37 4.184 2.109 10.427 1.00 0.12 N ATOM 596 CA GLY A 37 3.944 3.378 11.089 1.00 0.13 C ATOM 597 C GLY A 37 3.040 4.283 10.280 1.00 0.12 C ATOM 598 O GLY A 37 2.542 5.291 10.784 1.00 0.15 O ATOM 0 H GLY A 37 5.167 1.883 10.278 1.00 0.12 H new ATOM 0 HA2 GLY A 37 3.495 3.197 12.065 1.00 0.13 H new ATOM 0 HA3 GLY A 37 4.895 3.880 11.264 1.00 0.13 H new ATOM 602 N THR A 38 2.829 3.921 9.019 1.00 0.08 N ATOM 603 CA THR A 38 1.978 4.694 8.131 1.00 0.08 C ATOM 604 C THR A 38 0.767 3.868 7.685 1.00 0.07 C ATOM 605 O THR A 38 0.930 2.757 7.191 1.00 0.08 O ATOM 606 CB THR A 38 2.757 5.157 6.888 1.00 0.09 C ATOM 607 OG1 THR A 38 3.957 5.825 7.288 1.00 0.11 O ATOM 608 CG2 THR A 38 1.910 6.093 6.044 1.00 0.11 C ATOM 0 H THR A 38 3.240 3.092 8.590 1.00 0.08 H new ATOM 0 HA THR A 38 1.635 5.568 8.685 1.00 0.08 H new ATOM 0 HB THR A 38 3.010 4.280 6.292 1.00 0.09 H new ATOM 0 HG1 THR A 38 3.773 6.389 8.068 1.00 0.11 H new ATOM 0 HG21 THR A 38 2.479 6.409 5.170 1.00 0.11 H new ATOM 0 HG22 THR A 38 1.007 5.575 5.722 1.00 0.11 H new ATOM 0 HG23 THR A 38 1.636 6.967 6.634 1.00 0.11 H new ATOM 616 N PRO A 39 -0.464 4.392 7.863 1.00 0.07 N ATOM 617 CA PRO A 39 -1.697 3.692 7.461 1.00 0.08 C ATOM 618 C PRO A 39 -1.797 3.556 5.953 1.00 0.07 C ATOM 619 O PRO A 39 -0.913 4.016 5.239 1.00 0.07 O ATOM 620 CB PRO A 39 -2.805 4.615 7.971 1.00 0.09 C ATOM 621 CG PRO A 39 -2.162 5.951 7.979 1.00 0.09 C ATOM 622 CD PRO A 39 -0.767 5.700 8.462 1.00 0.09 C ATOM 0 HA PRO A 39 -1.745 2.678 7.858 1.00 0.08 H new ATOM 0 HB2 PRO A 39 -3.678 4.593 7.319 1.00 0.09 H new ATOM 0 HB3 PRO A 39 -3.143 4.326 8.966 1.00 0.09 H new ATOM 0 HG2 PRO A 39 -2.162 6.396 6.984 1.00 0.09 H new ATOM 0 HG3 PRO A 39 -2.691 6.641 8.637 1.00 0.09 H new ATOM 0 HD2 PRO A 39 -0.075 6.472 8.127 1.00 0.09 H new ATOM 0 HD3 PRO A 39 -0.711 5.673 9.550 1.00 0.09 H new ATOM 630 N TRP A 40 -2.865 2.932 5.464 1.00 0.07 N ATOM 631 CA TRP A 40 -3.036 2.781 4.026 1.00 0.07 C ATOM 632 C TRP A 40 -3.394 4.114 3.398 1.00 0.07 C ATOM 633 O TRP A 40 -2.793 4.516 2.411 1.00 0.07 O ATOM 634 CB TRP A 40 -4.095 1.729 3.678 1.00 0.08 C ATOM 635 CG TRP A 40 -5.501 2.124 4.023 1.00 0.09 C ATOM 636 CD1 TRP A 40 -6.105 2.030 5.244 1.00 0.13 C ATOM 637 CD2 TRP A 40 -6.484 2.664 3.128 1.00 0.11 C ATOM 638 NE1 TRP A 40 -7.406 2.467 5.159 1.00 0.16 N ATOM 639 CE2 TRP A 40 -7.659 2.869 3.876 1.00 0.15 C ATOM 640 CE3 TRP A 40 -6.487 2.998 1.768 1.00 0.14 C ATOM 641 CZ2 TRP A 40 -8.820 3.388 3.314 1.00 0.20 C ATOM 642 CZ3 TRP A 40 -7.643 3.514 1.213 1.00 0.19 C ATOM 643 CH2 TRP A 40 -8.795 3.706 1.984 1.00 0.21 C ATOM 0 H TRP A 40 -3.611 2.530 6.031 1.00 0.07 H new ATOM 0 HA TRP A 40 -2.086 2.433 3.620 1.00 0.07 H new ATOM 0 HB2 TRP A 40 -4.042 1.518 2.610 1.00 0.08 H new ATOM 0 HB3 TRP A 40 -3.853 0.802 4.198 1.00 0.08 H new ATOM 0 HD1 TRP A 40 -5.631 1.666 6.144 1.00 0.13 H new ATOM 0 HE1 TRP A 40 -8.075 2.488 5.929 1.00 0.16 H new ATOM 0 HE3 TRP A 40 -5.603 2.855 1.164 1.00 0.14 H new ATOM 0 HZ2 TRP A 40 -9.711 3.535 3.907 1.00 0.20 H new ATOM 0 HZ3 TRP A 40 -7.657 3.774 0.165 1.00 0.19 H new ATOM 0 HH2 TRP A 40 -9.681 4.113 1.520 1.00 0.21 H new ATOM 654 N ILE A 41 -4.361 4.808 3.991 1.00 0.08 N ATOM 655 CA ILE A 41 -4.797 6.096 3.472 1.00 0.09 C ATOM 656 C ILE A 41 -3.605 7.021 3.245 1.00 0.07 C ATOM 657 O ILE A 41 -3.653 7.917 2.401 1.00 0.08 O ATOM 658 CB ILE A 41 -5.803 6.781 4.420 1.00 0.11 C ATOM 659 CG1 ILE A 41 -6.672 7.768 3.641 1.00 0.14 C ATOM 660 CG2 ILE A 41 -5.081 7.485 5.564 1.00 0.12 C ATOM 661 CD1 ILE A 41 -8.130 7.367 3.593 1.00 0.45 C ATOM 0 H ILE A 41 -4.855 4.500 4.828 1.00 0.08 H new ATOM 0 HA ILE A 41 -5.293 5.905 2.520 1.00 0.09 H new ATOM 0 HB ILE A 41 -6.446 6.015 4.852 1.00 0.11 H new ATOM 0 HG12 ILE A 41 -6.588 8.755 4.096 1.00 0.14 H new ATOM 0 HG13 ILE A 41 -6.291 7.853 2.623 1.00 0.14 H new ATOM 0 HG21 ILE A 41 -5.812 7.960 6.218 1.00 0.12 H new ATOM 0 HG22 ILE A 41 -4.504 6.756 6.133 1.00 0.12 H new ATOM 0 HG23 ILE A 41 -4.410 8.243 5.159 1.00 0.12 H new ATOM 0 HD11 ILE A 41 -8.693 8.108 3.026 1.00 0.45 H new ATOM 0 HD12 ILE A 41 -8.224 6.394 3.111 1.00 0.45 H new ATOM 0 HD13 ILE A 41 -8.525 7.309 4.607 1.00 0.45 H new ATOM 673 N GLU A 42 -2.536 6.797 4.005 1.00 0.07 N ATOM 674 CA GLU A 42 -1.329 7.600 3.873 1.00 0.06 C ATOM 675 C GLU A 42 -0.338 6.874 2.976 1.00 0.06 C ATOM 676 O GLU A 42 0.363 7.488 2.174 1.00 0.07 O ATOM 677 CB GLU A 42 -0.711 7.880 5.242 1.00 0.07 C ATOM 678 CG GLU A 42 -1.537 8.820 6.105 1.00 0.09 C ATOM 679 CD GLU A 42 -1.787 10.158 5.439 1.00 1.13 C ATOM 680 OE1 GLU A 42 -0.936 11.062 5.582 1.00 1.02 O ATOM 681 OE2 GLU A 42 -2.834 10.304 4.773 1.00 2.15 O ATOM 0 H GLU A 42 -2.483 6.068 4.716 1.00 0.07 H new ATOM 0 HA GLU A 42 -1.586 8.559 3.423 1.00 0.06 H new ATOM 0 HB2 GLU A 42 -0.580 6.936 5.771 1.00 0.07 H new ATOM 0 HB3 GLU A 42 0.282 8.308 5.102 1.00 0.07 H new ATOM 0 HG2 GLU A 42 -2.493 8.349 6.335 1.00 0.09 H new ATOM 0 HG3 GLU A 42 -1.024 8.981 7.053 1.00 0.09 H new ATOM 688 N LEU A 43 -0.297 5.554 3.127 1.00 0.06 N ATOM 689 CA LEU A 43 0.571 4.703 2.323 1.00 0.07 C ATOM 690 C LEU A 43 0.286 4.956 0.855 1.00 0.08 C ATOM 691 O LEU A 43 1.155 5.367 0.090 1.00 0.10 O ATOM 692 CB LEU A 43 0.296 3.237 2.644 1.00 0.08 C ATOM 693 CG LEU A 43 1.487 2.423 3.159 1.00 0.09 C ATOM 694 CD1 LEU A 43 2.607 2.404 2.137 1.00 0.11 C ATOM 695 CD2 LEU A 43 1.992 2.977 4.477 1.00 0.09 C ATOM 0 H LEU A 43 -0.862 5.046 3.808 1.00 0.06 H new ATOM 0 HA LEU A 43 1.614 4.930 2.546 1.00 0.07 H new ATOM 0 HB2 LEU A 43 -0.498 3.193 3.390 1.00 0.08 H new ATOM 0 HB3 LEU A 43 -0.085 2.755 1.744 1.00 0.08 H new ATOM 0 HG LEU A 43 1.147 1.400 3.322 1.00 0.09 H new ATOM 0 HD11 LEU A 43 3.443 1.820 2.524 1.00 0.11 H new ATOM 0 HD12 LEU A 43 2.248 1.954 1.212 1.00 0.11 H new ATOM 0 HD13 LEU A 43 2.937 3.424 1.940 1.00 0.11 H new ATOM 0 HD21 LEU A 43 2.838 2.382 4.822 1.00 0.09 H new ATOM 0 HD22 LEU A 43 2.308 4.011 4.340 1.00 0.09 H new ATOM 0 HD23 LEU A 43 1.194 2.937 5.218 1.00 0.09 H new ATOM 707 N ILE A 44 -0.960 4.695 0.489 1.00 0.09 N ATOM 708 CA ILE A 44 -1.444 4.894 -0.864 1.00 0.10 C ATOM 709 C ILE A 44 -1.226 6.332 -1.331 1.00 0.10 C ATOM 710 O ILE A 44 -1.381 6.641 -2.511 1.00 0.15 O ATOM 711 CB ILE A 44 -2.943 4.557 -0.942 1.00 0.13 C ATOM 712 CG1 ILE A 44 -3.768 5.580 -0.151 1.00 0.14 C ATOM 713 CG2 ILE A 44 -3.176 3.158 -0.394 1.00 0.15 C ATOM 714 CD1 ILE A 44 -5.223 5.654 -0.559 1.00 0.20 C ATOM 0 H ILE A 44 -1.668 4.336 1.130 1.00 0.09 H new ATOM 0 HA ILE A 44 -0.879 4.230 -1.518 1.00 0.10 H new ATOM 0 HB ILE A 44 -3.261 4.595 -1.984 1.00 0.13 H new ATOM 0 HG12 ILE A 44 -3.712 5.333 0.909 1.00 0.14 H new ATOM 0 HG13 ILE A 44 -3.318 6.565 -0.273 1.00 0.14 H new ATOM 0 HG21 ILE A 44 -4.238 2.918 -0.449 1.00 0.15 H new ATOM 0 HG22 ILE A 44 -2.610 2.437 -0.984 1.00 0.15 H new ATOM 0 HG23 ILE A 44 -2.847 3.115 0.644 1.00 0.15 H new ATOM 0 HD11 ILE A 44 -5.734 6.401 0.049 1.00 0.20 H new ATOM 0 HD12 ILE A 44 -5.292 5.933 -1.610 1.00 0.20 H new ATOM 0 HD13 ILE A 44 -5.693 4.682 -0.410 1.00 0.20 H new ATOM 726 N TYR A 45 -0.876 7.210 -0.397 1.00 0.08 N ATOM 727 CA TYR A 45 -0.649 8.615 -0.721 1.00 0.08 C ATOM 728 C TYR A 45 0.841 8.967 -0.692 1.00 0.08 C ATOM 729 O TYR A 45 1.234 10.045 -1.137 1.00 0.10 O ATOM 730 CB TYR A 45 -1.420 9.517 0.249 1.00 0.10 C ATOM 731 CG TYR A 45 -2.878 9.756 -0.119 1.00 0.11 C ATOM 732 CD1 TYR A 45 -3.577 8.889 -0.960 1.00 0.10 C ATOM 733 CD2 TYR A 45 -3.561 10.852 0.396 1.00 0.15 C ATOM 734 CE1 TYR A 45 -4.909 9.115 -1.274 1.00 0.13 C ATOM 735 CE2 TYR A 45 -4.888 11.083 0.084 1.00 0.18 C ATOM 736 CZ TYR A 45 -5.556 10.212 -0.749 1.00 0.16 C ATOM 737 OH TYR A 45 -6.878 10.438 -1.056 1.00 0.19 O ATOM 0 H TYR A 45 -0.744 6.976 0.587 1.00 0.08 H new ATOM 0 HA TYR A 45 -1.014 8.782 -1.734 1.00 0.08 H new ATOM 0 HB2 TYR A 45 -1.380 9.074 1.244 1.00 0.10 H new ATOM 0 HB3 TYR A 45 -0.913 10.480 0.308 1.00 0.10 H new ATOM 0 HD1 TYR A 45 -3.073 8.028 -1.373 1.00 0.10 H new ATOM 0 HD2 TYR A 45 -3.045 11.537 1.053 1.00 0.15 H new ATOM 0 HE1 TYR A 45 -5.436 8.435 -1.927 1.00 0.13 H new ATOM 0 HE2 TYR A 45 -5.399 11.943 0.492 1.00 0.18 H new ATOM 0 HH TYR A 45 -7.184 11.252 -0.604 1.00 0.19 H new ATOM 747 N LEU A 46 1.670 8.061 -0.165 1.00 0.08 N ATOM 748 CA LEU A 46 3.111 8.295 -0.102 1.00 0.09 C ATOM 749 C LEU A 46 3.707 8.391 -1.497 1.00 0.09 C ATOM 750 O LEU A 46 2.993 8.529 -2.491 1.00 0.11 O ATOM 751 CB LEU A 46 3.835 7.165 0.640 1.00 0.10 C ATOM 752 CG LEU A 46 3.343 6.841 2.048 1.00 0.11 C ATOM 753 CD1 LEU A 46 4.274 5.833 2.711 1.00 0.14 C ATOM 754 CD2 LEU A 46 3.239 8.100 2.893 1.00 0.12 C ATOM 0 H LEU A 46 1.369 7.166 0.221 1.00 0.08 H new ATOM 0 HA LEU A 46 3.248 9.234 0.435 1.00 0.09 H new ATOM 0 HB2 LEU A 46 3.760 6.260 0.037 1.00 0.10 H new ATOM 0 HB3 LEU A 46 4.893 7.421 0.700 1.00 0.10 H new ATOM 0 HG LEU A 46 2.347 6.404 1.969 1.00 0.11 H new ATOM 0 HD11 LEU A 46 3.913 5.610 3.715 1.00 0.14 H new ATOM 0 HD12 LEU A 46 4.297 4.917 2.121 1.00 0.14 H new ATOM 0 HD13 LEU A 46 5.279 6.251 2.772 1.00 0.14 H new ATOM 0 HD21 LEU A 46 2.886 7.840 3.891 1.00 0.12 H new ATOM 0 HD22 LEU A 46 4.219 8.571 2.966 1.00 0.12 H new ATOM 0 HD23 LEU A 46 2.537 8.793 2.429 1.00 0.12 H new ATOM 766 N ASP A 47 5.029 8.304 -1.553 1.00 0.09 N ATOM 767 CA ASP A 47 5.756 8.355 -2.810 1.00 0.10 C ATOM 768 C ASP A 47 7.065 7.593 -2.672 1.00 0.10 C ATOM 769 O ASP A 47 7.440 7.199 -1.568 1.00 0.16 O ATOM 770 CB ASP A 47 6.038 9.804 -3.219 1.00 0.11 C ATOM 771 CG ASP A 47 4.771 10.624 -3.375 1.00 0.73 C ATOM 772 OD1 ASP A 47 4.326 11.226 -2.376 1.00 0.96 O ATOM 773 OD2 ASP A 47 4.224 10.662 -4.497 1.00 1.31 O ATOM 0 H ASP A 47 5.624 8.197 -0.731 1.00 0.09 H new ATOM 0 HA ASP A 47 5.144 7.894 -3.585 1.00 0.10 H new ATOM 0 HB2 ASP A 47 6.678 10.271 -2.471 1.00 0.11 H new ATOM 0 HB3 ASP A 47 6.589 9.811 -4.159 1.00 0.11 H new ATOM 778 N ASP A 48 7.750 7.379 -3.787 1.00 0.12 N ATOM 779 CA ASP A 48 9.016 6.680 -3.776 1.00 0.14 C ATOM 780 C ASP A 48 9.917 7.255 -2.692 1.00 0.14 C ATOM 781 O ASP A 48 10.491 6.523 -1.887 1.00 0.21 O ATOM 782 CB ASP A 48 9.669 6.817 -5.145 1.00 0.17 C ATOM 783 CG ASP A 48 9.643 8.242 -5.663 1.00 1.06 C ATOM 784 OD1 ASP A 48 8.647 8.620 -6.315 1.00 1.73 O ATOM 785 OD2 ASP A 48 10.620 8.980 -5.416 1.00 1.65 O ATOM 0 H ASP A 48 7.444 7.683 -4.711 1.00 0.12 H new ATOM 0 HA ASP A 48 8.855 5.624 -3.560 1.00 0.14 H new ATOM 0 HB2 ASP A 48 10.702 6.474 -5.087 1.00 0.17 H new ATOM 0 HB3 ASP A 48 9.157 6.167 -5.854 1.00 0.17 H new ATOM 790 N GLU A 49 10.013 8.578 -2.671 1.00 0.14 N ATOM 791 CA GLU A 49 10.827 9.276 -1.678 1.00 0.16 C ATOM 792 C GLU A 49 10.454 8.850 -0.262 1.00 0.13 C ATOM 793 O GLU A 49 11.269 8.265 0.446 1.00 0.19 O ATOM 794 CB GLU A 49 10.667 10.791 -1.808 1.00 0.23 C ATOM 795 CG GLU A 49 11.448 11.579 -0.763 1.00 0.37 C ATOM 796 CD GLU A 49 11.221 13.074 -0.870 1.00 0.46 C ATOM 797 OE1 GLU A 49 11.916 13.723 -1.679 1.00 0.51 O ATOM 798 OE2 GLU A 49 10.346 13.595 -0.147 1.00 0.52 O ATOM 0 H GLU A 49 9.537 9.193 -3.331 1.00 0.14 H new ATOM 0 HA GLU A 49 11.867 9.008 -1.866 1.00 0.16 H new ATOM 0 HB2 GLU A 49 10.993 11.098 -2.802 1.00 0.23 H new ATOM 0 HB3 GLU A 49 9.610 11.045 -1.727 1.00 0.23 H new ATOM 0 HG2 GLU A 49 11.158 11.242 0.232 1.00 0.37 H new ATOM 0 HG3 GLU A 49 12.512 11.368 -0.874 1.00 0.37 H new ATOM 805 N THR A 50 9.217 9.147 0.141 1.00 0.11 N ATOM 806 CA THR A 50 8.744 8.808 1.481 1.00 0.10 C ATOM 807 C THR A 50 9.068 7.362 1.835 1.00 0.09 C ATOM 808 O THR A 50 9.530 7.075 2.939 1.00 0.13 O ATOM 809 CB THR A 50 7.229 9.029 1.621 1.00 0.12 C ATOM 810 OG1 THR A 50 6.903 10.396 1.343 1.00 0.19 O ATOM 811 CG2 THR A 50 6.767 8.667 3.024 1.00 0.14 C ATOM 0 H THR A 50 8.527 9.621 -0.442 1.00 0.11 H new ATOM 0 HA THR A 50 9.265 9.473 2.170 1.00 0.10 H new ATOM 0 HB THR A 50 6.719 8.385 0.904 1.00 0.12 H new ATOM 0 HG1 THR A 50 5.936 10.526 1.433 1.00 0.19 H new ATOM 0 HG21 THR A 50 5.692 8.829 3.106 1.00 0.14 H new ATOM 0 HG22 THR A 50 6.992 7.619 3.222 1.00 0.14 H new ATOM 0 HG23 THR A 50 7.285 9.293 3.751 1.00 0.14 H new ATOM 819 N LEU A 51 8.809 6.456 0.901 1.00 0.09 N ATOM 820 CA LEU A 51 9.092 5.044 1.108 1.00 0.11 C ATOM 821 C LEU A 51 10.556 4.862 1.490 1.00 0.11 C ATOM 822 O LEU A 51 10.885 4.059 2.360 1.00 0.14 O ATOM 823 CB LEU A 51 8.760 4.259 -0.158 1.00 0.12 C ATOM 824 CG LEU A 51 7.266 4.052 -0.404 1.00 0.16 C ATOM 825 CD1 LEU A 51 7.019 3.572 -1.822 1.00 0.89 C ATOM 826 CD2 LEU A 51 6.697 3.063 0.603 1.00 0.74 C ATOM 0 H LEU A 51 8.403 6.676 -0.008 1.00 0.09 H new ATOM 0 HA LEU A 51 8.473 4.664 1.921 1.00 0.11 H new ATOM 0 HB2 LEU A 51 9.187 4.779 -1.015 1.00 0.12 H new ATOM 0 HB3 LEU A 51 9.244 3.284 -0.103 1.00 0.12 H new ATOM 0 HG LEU A 51 6.759 5.008 -0.275 1.00 0.16 H new ATOM 0 HD11 LEU A 51 5.949 3.431 -1.977 1.00 0.89 H new ATOM 0 HD12 LEU A 51 7.393 4.314 -2.528 1.00 0.89 H new ATOM 0 HD13 LEU A 51 7.537 2.626 -1.981 1.00 0.89 H new ATOM 0 HD21 LEU A 51 5.632 2.925 0.416 1.00 0.74 H new ATOM 0 HD22 LEU A 51 7.210 2.106 0.503 1.00 0.74 H new ATOM 0 HD23 LEU A 51 6.841 3.448 1.612 1.00 0.74 H new ATOM 838 N GLU A 52 11.427 5.617 0.830 1.00 0.10 N ATOM 839 CA GLU A 52 12.853 5.575 1.126 1.00 0.13 C ATOM 840 C GLU A 52 13.069 6.076 2.541 1.00 0.13 C ATOM 841 O GLU A 52 13.861 5.527 3.308 1.00 0.16 O ATOM 842 CB GLU A 52 13.621 6.464 0.150 1.00 0.16 C ATOM 843 CG GLU A 52 15.096 6.119 0.033 1.00 0.33 C ATOM 844 CD GLU A 52 15.871 7.139 -0.779 1.00 0.44 C ATOM 845 OE1 GLU A 52 16.333 8.139 -0.191 1.00 0.52 O ATOM 846 OE2 GLU A 52 16.017 6.936 -2.003 1.00 0.52 O ATOM 0 H GLU A 52 11.170 6.266 0.086 1.00 0.10 H new ATOM 0 HA GLU A 52 13.215 4.552 1.027 1.00 0.13 H new ATOM 0 HB2 GLU A 52 13.161 6.387 -0.835 1.00 0.16 H new ATOM 0 HB3 GLU A 52 13.525 7.502 0.467 1.00 0.16 H new ATOM 0 HG2 GLU A 52 15.529 6.049 1.031 1.00 0.33 H new ATOM 0 HG3 GLU A 52 15.200 5.137 -0.429 1.00 0.33 H new ATOM 853 N LYS A 53 12.342 7.136 2.864 1.00 0.13 N ATOM 854 CA LYS A 53 12.401 7.748 4.185 1.00 0.16 C ATOM 855 C LYS A 53 11.998 6.732 5.250 1.00 0.18 C ATOM 856 O LYS A 53 12.513 6.747 6.369 1.00 0.25 O ATOM 857 CB LYS A 53 11.493 8.975 4.227 1.00 0.17 C ATOM 858 CG LYS A 53 11.682 9.885 3.023 1.00 0.42 C ATOM 859 CD LYS A 53 12.900 10.776 3.180 1.00 0.60 C ATOM 860 CE LYS A 53 12.619 11.905 4.148 1.00 1.54 C ATOM 861 NZ LYS A 53 12.131 13.127 3.450 1.00 2.19 N ATOM 0 H LYS A 53 11.697 7.595 2.221 1.00 0.13 H new ATOM 0 HA LYS A 53 13.422 8.069 4.391 1.00 0.16 H new ATOM 0 HB2 LYS A 53 10.453 8.651 4.273 1.00 0.17 H new ATOM 0 HB3 LYS A 53 11.692 9.539 5.138 1.00 0.17 H new ATOM 0 HG2 LYS A 53 11.787 9.280 2.122 1.00 0.42 H new ATOM 0 HG3 LYS A 53 10.794 10.503 2.890 1.00 0.42 H new ATOM 0 HD2 LYS A 53 13.744 10.186 3.537 1.00 0.60 H new ATOM 0 HD3 LYS A 53 13.185 11.185 2.210 1.00 0.60 H new ATOM 0 HE2 LYS A 53 11.875 11.582 4.877 1.00 1.54 H new ATOM 0 HE3 LYS A 53 13.527 12.142 4.703 1.00 1.54 H new ATOM 0 HZ1 LYS A 53 11.950 13.877 4.148 1.00 2.19 H new ATOM 0 HZ2 LYS A 53 12.851 13.451 2.773 1.00 2.19 H new ATOM 0 HZ3 LYS A 53 11.251 12.908 2.941 1.00 2.19 H new ATOM 875 N LYS A 54 11.071 5.846 4.885 1.00 0.13 N ATOM 876 CA LYS A 54 10.609 4.794 5.775 1.00 0.16 C ATOM 877 C LYS A 54 11.728 3.798 6.005 1.00 0.17 C ATOM 878 O LYS A 54 12.135 3.519 7.132 1.00 0.21 O ATOM 879 CB LYS A 54 9.437 4.041 5.135 1.00 0.16 C ATOM 880 CG LYS A 54 8.164 4.828 4.932 1.00 0.25 C ATOM 881 CD LYS A 54 8.052 6.031 5.820 1.00 0.39 C ATOM 882 CE LYS A 54 6.605 6.365 5.918 1.00 0.30 C ATOM 883 NZ LYS A 54 6.261 7.060 7.189 1.00 1.20 N ATOM 0 H LYS A 54 10.625 5.841 3.968 1.00 0.13 H new ATOM 0 HA LYS A 54 10.297 5.249 6.715 1.00 0.16 H new ATOM 0 HB2 LYS A 54 9.763 3.662 4.166 1.00 0.16 H new ATOM 0 HB3 LYS A 54 9.208 3.175 5.756 1.00 0.16 H new ATOM 0 HG2 LYS A 54 8.107 5.149 3.892 1.00 0.25 H new ATOM 0 HG3 LYS A 54 7.310 4.174 5.111 1.00 0.25 H new ATOM 0 HD2 LYS A 54 8.468 5.823 6.806 1.00 0.39 H new ATOM 0 HD3 LYS A 54 8.614 6.869 5.408 1.00 0.39 H new ATOM 0 HE2 LYS A 54 6.324 6.997 5.075 1.00 0.30 H new ATOM 0 HE3 LYS A 54 6.019 5.449 5.839 1.00 0.30 H new ATOM 0 HZ1 LYS A 54 5.294 6.803 7.474 1.00 1.20 H new ATOM 0 HZ2 LYS A 54 6.929 6.774 7.933 1.00 1.20 H new ATOM 0 HZ3 LYS A 54 6.319 8.089 7.049 1.00 1.20 H new ATOM 897 N GLY A 55 12.204 3.275 4.890 1.00 0.19 N ATOM 898 CA GLY A 55 13.256 2.291 4.881 1.00 0.23 C ATOM 899 C GLY A 55 13.293 1.587 3.543 1.00 0.25 C ATOM 900 O GLY A 55 14.255 0.894 3.212 1.00 0.38 O ATOM 0 H GLY A 55 11.865 3.527 3.962 1.00 0.19 H new ATOM 0 HA2 GLY A 55 14.215 2.770 5.076 1.00 0.23 H new ATOM 0 HA3 GLY A 55 13.094 1.566 5.679 1.00 0.23 H new ATOM 904 N VAL A 56 12.211 1.767 2.787 1.00 0.17 N ATOM 905 CA VAL A 56 12.079 1.200 1.455 1.00 0.21 C ATOM 906 C VAL A 56 13.057 1.895 0.512 1.00 0.40 C ATOM 907 O VAL A 56 12.676 2.761 -0.273 1.00 0.89 O ATOM 908 CB VAL A 56 10.636 1.380 0.930 1.00 0.18 C ATOM 909 CG1 VAL A 56 10.375 0.489 -0.272 1.00 0.28 C ATOM 910 CG2 VAL A 56 9.618 1.105 2.036 1.00 0.17 C ATOM 0 H VAL A 56 11.402 2.312 3.086 1.00 0.17 H new ATOM 0 HA VAL A 56 12.302 0.134 1.501 1.00 0.21 H new ATOM 0 HB VAL A 56 10.524 2.416 0.611 1.00 0.18 H new ATOM 0 HG11 VAL A 56 9.353 0.637 -0.619 1.00 0.28 H new ATOM 0 HG12 VAL A 56 11.070 0.744 -1.072 1.00 0.28 H new ATOM 0 HG13 VAL A 56 10.514 -0.554 0.011 1.00 0.28 H new ATOM 0 HG21 VAL A 56 8.610 1.238 1.644 1.00 0.17 H new ATOM 0 HG22 VAL A 56 9.737 0.082 2.393 1.00 0.17 H new ATOM 0 HG23 VAL A 56 9.781 1.799 2.861 1.00 0.17 H new ATOM 920 N LEU A 57 14.321 1.501 0.608 1.00 0.21 N ATOM 921 CA LEU A 57 15.390 2.094 -0.189 1.00 0.26 C ATOM 922 C LEU A 57 15.422 1.550 -1.613 1.00 0.36 C ATOM 923 O LEU A 57 15.797 2.261 -2.548 1.00 0.83 O ATOM 924 CB LEU A 57 16.733 1.829 0.499 1.00 0.34 C ATOM 925 CG LEU A 57 17.139 2.827 1.596 1.00 0.37 C ATOM 926 CD1 LEU A 57 15.921 3.473 2.243 1.00 0.24 C ATOM 927 CD2 LEU A 57 17.978 2.131 2.656 1.00 0.55 C ATOM 0 H LEU A 57 14.634 0.763 1.239 1.00 0.21 H new ATOM 0 HA LEU A 57 15.201 3.165 -0.259 1.00 0.26 H new ATOM 0 HB2 LEU A 57 16.703 0.831 0.937 1.00 0.34 H new ATOM 0 HB3 LEU A 57 17.513 1.820 -0.262 1.00 0.34 H new ATOM 0 HG LEU A 57 17.729 3.613 1.125 1.00 0.37 H new ATOM 0 HD11 LEU A 57 16.246 4.172 3.013 1.00 0.24 H new ATOM 0 HD12 LEU A 57 15.348 4.008 1.486 1.00 0.24 H new ATOM 0 HD13 LEU A 57 15.296 2.702 2.693 1.00 0.24 H new ATOM 0 HD21 LEU A 57 18.259 2.849 3.427 1.00 0.55 H new ATOM 0 HD22 LEU A 57 17.400 1.324 3.105 1.00 0.55 H new ATOM 0 HD23 LEU A 57 18.878 1.721 2.197 1.00 0.55 H new ATOM 939 N ALA A 58 15.032 0.292 -1.775 1.00 0.21 N ATOM 940 CA ALA A 58 15.029 -0.345 -3.085 1.00 0.17 C ATOM 941 C ALA A 58 14.234 0.446 -4.102 1.00 0.13 C ATOM 942 O ALA A 58 13.009 0.526 -4.018 1.00 0.12 O ATOM 943 CB ALA A 58 14.458 -1.745 -2.983 1.00 0.18 C ATOM 0 H ALA A 58 14.713 -0.308 -1.014 1.00 0.21 H new ATOM 0 HA ALA A 58 16.064 -0.386 -3.424 1.00 0.17 H new ATOM 0 HB1 ALA A 58 14.461 -2.212 -3.968 1.00 0.18 H new ATOM 0 HB2 ALA A 58 15.066 -2.337 -2.299 1.00 0.18 H new ATOM 0 HB3 ALA A 58 13.436 -1.695 -2.608 1.00 0.18 H new ATOM 949 N LEU A 59 14.938 1.036 -5.060 1.00 0.14 N ATOM 950 CA LEU A 59 14.283 1.785 -6.116 1.00 0.13 C ATOM 951 C LEU A 59 13.235 0.899 -6.757 1.00 0.12 C ATOM 952 O LEU A 59 12.232 1.370 -7.288 1.00 0.14 O ATOM 953 CB LEU A 59 15.303 2.238 -7.164 1.00 0.15 C ATOM 954 CG LEU A 59 15.948 3.599 -6.902 1.00 0.19 C ATOM 955 CD1 LEU A 59 14.911 4.698 -7.037 1.00 0.24 C ATOM 956 CD2 LEU A 59 16.586 3.637 -5.524 1.00 0.27 C ATOM 0 H LEU A 59 15.956 1.009 -5.125 1.00 0.14 H new ATOM 0 HA LEU A 59 13.813 2.674 -5.696 1.00 0.13 H new ATOM 0 HB2 LEU A 59 16.091 1.487 -7.229 1.00 0.15 H new ATOM 0 HB3 LEU A 59 14.811 2.268 -8.136 1.00 0.15 H new ATOM 0 HG LEU A 59 16.732 3.760 -7.642 1.00 0.19 H new ATOM 0 HD11 LEU A 59 15.379 5.664 -6.849 1.00 0.24 H new ATOM 0 HD12 LEU A 59 14.497 4.685 -8.045 1.00 0.24 H new ATOM 0 HD13 LEU A 59 14.112 4.535 -6.314 1.00 0.24 H new ATOM 0 HD21 LEU A 59 17.039 4.615 -5.359 1.00 0.27 H new ATOM 0 HD22 LEU A 59 15.824 3.457 -4.765 1.00 0.27 H new ATOM 0 HD23 LEU A 59 17.354 2.866 -5.457 1.00 0.27 H new ATOM 968 N GLY A 60 13.496 -0.402 -6.702 1.00 0.12 N ATOM 969 CA GLY A 60 12.582 -1.369 -7.251 1.00 0.12 C ATOM 970 C GLY A 60 11.360 -1.574 -6.378 1.00 0.11 C ATOM 971 O GLY A 60 10.254 -1.707 -6.883 1.00 0.14 O ATOM 0 H GLY A 60 14.335 -0.801 -6.281 1.00 0.12 H new ATOM 0 HA2 GLY A 60 12.266 -1.044 -8.242 1.00 0.12 H new ATOM 0 HA3 GLY A 60 13.098 -2.321 -7.378 1.00 0.12 H new ATOM 975 N ALA A 61 11.570 -1.609 -5.063 1.00 0.10 N ATOM 976 CA ALA A 61 10.488 -1.818 -4.109 1.00 0.10 C ATOM 977 C ALA A 61 9.595 -0.591 -3.929 1.00 0.11 C ATOM 978 O ALA A 61 8.376 -0.679 -4.073 1.00 0.16 O ATOM 979 CB ALA A 61 11.062 -2.244 -2.769 1.00 0.13 C ATOM 0 H ALA A 61 12.488 -1.494 -4.634 1.00 0.10 H new ATOM 0 HA ALA A 61 9.854 -2.605 -4.518 1.00 0.10 H new ATOM 0 HB1 ALA A 61 10.250 -2.399 -2.058 1.00 0.13 H new ATOM 0 HB2 ALA A 61 11.620 -3.172 -2.891 1.00 0.13 H new ATOM 0 HB3 ALA A 61 11.728 -1.467 -2.395 1.00 0.13 H new ATOM 985 N ARG A 62 10.200 0.552 -3.609 1.00 0.14 N ATOM 986 CA ARG A 62 9.437 1.771 -3.369 1.00 0.16 C ATOM 987 C ARG A 62 8.722 2.267 -4.613 1.00 0.11 C ATOM 988 O ARG A 62 7.495 2.369 -4.625 1.00 0.11 O ATOM 989 CB ARG A 62 10.332 2.868 -2.789 1.00 0.23 C ATOM 990 CG ARG A 62 11.465 3.330 -3.691 1.00 0.32 C ATOM 991 CD ARG A 62 12.394 4.278 -2.947 1.00 0.23 C ATOM 992 NE ARG A 62 13.431 4.841 -3.809 1.00 0.21 N ATOM 993 CZ ARG A 62 13.802 6.119 -3.773 1.00 0.46 C ATOM 994 NH1 ARG A 62 13.187 6.970 -2.964 1.00 0.81 N ATOM 995 NH2 ARG A 62 14.788 6.549 -4.547 1.00 0.48 N ATOM 0 H ARG A 62 11.210 0.657 -3.511 1.00 0.14 H new ATOM 0 HA ARG A 62 8.668 1.520 -2.639 1.00 0.16 H new ATOM 0 HB2 ARG A 62 9.710 3.729 -2.545 1.00 0.23 H new ATOM 0 HB3 ARG A 62 10.759 2.508 -1.853 1.00 0.23 H new ATOM 0 HG2 ARG A 62 12.028 2.467 -4.047 1.00 0.32 H new ATOM 0 HG3 ARG A 62 11.056 3.829 -4.570 1.00 0.32 H new ATOM 0 HD2 ARG A 62 11.808 5.088 -2.513 1.00 0.23 H new ATOM 0 HD3 ARG A 62 12.864 3.746 -2.120 1.00 0.23 H new ATOM 0 HE ARG A 62 13.895 4.222 -4.474 1.00 0.21 H new ATOM 0 HH11 ARG A 62 12.427 6.646 -2.366 1.00 0.81 H new ATOM 0 HH12 ARG A 62 13.474 7.948 -2.939 1.00 0.81 H new ATOM 0 HH21 ARG A 62 15.265 5.900 -5.173 1.00 0.48 H new ATOM 0 HH22 ARG A 62 15.070 7.529 -4.517 1.00 0.48 H new ATOM 1009 N ARG A 63 9.481 2.592 -5.645 1.00 0.12 N ATOM 1010 CA ARG A 63 8.891 3.070 -6.886 1.00 0.13 C ATOM 1011 C ARG A 63 7.784 2.120 -7.329 1.00 0.12 C ATOM 1012 O ARG A 63 6.865 2.506 -8.051 1.00 0.14 O ATOM 1013 CB ARG A 63 9.946 3.192 -7.982 1.00 0.16 C ATOM 1014 CG ARG A 63 11.034 4.206 -7.673 1.00 0.79 C ATOM 1015 CD ARG A 63 11.937 4.434 -8.874 1.00 0.75 C ATOM 1016 NE ARG A 63 11.217 5.030 -9.997 1.00 1.33 N ATOM 1017 CZ ARG A 63 11.279 4.568 -11.242 1.00 1.56 C ATOM 1018 NH1 ARG A 63 12.011 3.498 -11.521 1.00 1.33 N ATOM 1019 NH2 ARG A 63 10.607 5.176 -12.212 1.00 2.47 N ATOM 0 H ARG A 63 10.499 2.535 -5.650 1.00 0.12 H new ATOM 0 HA ARG A 63 8.470 4.060 -6.709 1.00 0.13 H new ATOM 0 HB2 ARG A 63 10.406 2.217 -8.142 1.00 0.16 H new ATOM 0 HB3 ARG A 63 9.457 3.470 -8.915 1.00 0.16 H new ATOM 0 HG2 ARG A 63 10.579 5.150 -7.374 1.00 0.79 H new ATOM 0 HG3 ARG A 63 11.629 3.857 -6.829 1.00 0.79 H new ATOM 0 HD2 ARG A 63 12.763 5.084 -8.587 1.00 0.75 H new ATOM 0 HD3 ARG A 63 12.372 3.484 -9.186 1.00 0.75 H new ATOM 0 HE ARG A 63 10.634 5.847 -9.815 1.00 1.33 H new ATOM 0 HH11 ARG A 63 12.529 3.027 -10.779 1.00 1.33 H new ATOM 0 HH12 ARG A 63 12.056 3.146 -12.477 1.00 1.33 H new ATOM 0 HH21 ARG A 63 10.042 5.999 -12.003 1.00 2.47 H new ATOM 0 HH22 ARG A 63 10.656 4.820 -13.167 1.00 2.47 H new ATOM 1033 N LYS A 64 7.885 0.867 -6.880 1.00 0.10 N ATOM 1034 CA LYS A 64 6.894 -0.153 -7.209 1.00 0.13 C ATOM 1035 C LYS A 64 5.655 -0.002 -6.340 1.00 0.11 C ATOM 1036 O LYS A 64 4.536 -0.192 -6.808 1.00 0.12 O ATOM 1037 CB LYS A 64 7.487 -1.545 -7.022 1.00 0.18 C ATOM 1038 CG LYS A 64 6.520 -2.674 -7.334 1.00 0.76 C ATOM 1039 CD LYS A 64 7.195 -4.032 -7.220 1.00 1.33 C ATOM 1040 CE LYS A 64 6.278 -5.151 -7.684 1.00 1.80 C ATOM 1041 NZ LYS A 64 5.939 -5.028 -9.130 1.00 2.52 N ATOM 0 H LYS A 64 8.646 0.536 -6.286 1.00 0.10 H new ATOM 0 HA LYS A 64 6.607 -0.023 -8.252 1.00 0.13 H new ATOM 0 HB2 LYS A 64 8.364 -1.644 -7.661 1.00 0.18 H new ATOM 0 HB3 LYS A 64 7.830 -1.648 -5.992 1.00 0.18 H new ATOM 0 HG2 LYS A 64 5.673 -2.629 -6.650 1.00 0.76 H new ATOM 0 HG3 LYS A 64 6.123 -2.547 -8.341 1.00 0.76 H new ATOM 0 HD2 LYS A 64 8.107 -4.037 -7.816 1.00 1.33 H new ATOM 0 HD3 LYS A 64 7.490 -4.207 -6.185 1.00 1.33 H new ATOM 0 HE2 LYS A 64 6.759 -6.113 -7.504 1.00 1.80 H new ATOM 0 HE3 LYS A 64 5.362 -5.138 -7.094 1.00 1.80 H new ATOM 0 HZ1 LYS A 64 5.564 -5.934 -9.477 1.00 2.52 H new ATOM 0 HZ2 LYS A 64 5.222 -4.286 -9.256 1.00 2.52 H new ATOM 0 HZ3 LYS A 64 6.794 -4.778 -9.667 1.00 2.52 H new ATOM 1055 N LEU A 65 5.862 0.320 -5.067 1.00 0.11 N ATOM 1056 CA LEU A 65 4.755 0.510 -4.144 1.00 0.11 C ATOM 1057 C LEU A 65 3.816 1.588 -4.658 1.00 0.08 C ATOM 1058 O LEU A 65 2.632 1.609 -4.324 1.00 0.09 O ATOM 1059 CB LEU A 65 5.272 0.882 -2.760 1.00 0.13 C ATOM 1060 CG LEU A 65 5.412 -0.296 -1.807 1.00 0.18 C ATOM 1061 CD1 LEU A 65 6.712 -0.204 -1.031 1.00 0.22 C ATOM 1062 CD2 LEU A 65 4.220 -0.363 -0.867 1.00 0.23 C ATOM 0 H LEU A 65 6.785 0.454 -4.654 1.00 0.11 H new ATOM 0 HA LEU A 65 4.205 -0.428 -4.070 1.00 0.11 H new ATOM 0 HB2 LEU A 65 6.243 1.366 -2.866 1.00 0.13 H new ATOM 0 HB3 LEU A 65 4.597 1.614 -2.317 1.00 0.13 H new ATOM 0 HG LEU A 65 5.435 -1.215 -2.393 1.00 0.18 H new ATOM 0 HD11 LEU A 65 6.793 -1.055 -0.355 1.00 0.22 H new ATOM 0 HD12 LEU A 65 7.552 -0.211 -1.726 1.00 0.22 H new ATOM 0 HD13 LEU A 65 6.726 0.720 -0.454 1.00 0.22 H new ATOM 0 HD21 LEU A 65 4.336 -1.211 -0.192 1.00 0.23 H new ATOM 0 HD22 LEU A 65 4.162 0.558 -0.286 1.00 0.23 H new ATOM 0 HD23 LEU A 65 3.305 -0.484 -1.447 1.00 0.23 H new ATOM 1074 N LEU A 66 4.358 2.483 -5.477 1.00 0.08 N ATOM 1075 CA LEU A 66 3.574 3.564 -6.053 1.00 0.09 C ATOM 1076 C LEU A 66 2.477 2.995 -6.941 1.00 0.11 C ATOM 1077 O LEU A 66 1.494 3.672 -7.248 1.00 0.14 O ATOM 1078 CB LEU A 66 4.475 4.513 -6.841 1.00 0.11 C ATOM 1079 CG LEU A 66 5.176 5.573 -5.988 1.00 0.12 C ATOM 1080 CD1 LEU A 66 6.583 5.832 -6.501 1.00 0.15 C ATOM 1081 CD2 LEU A 66 4.368 6.860 -5.969 1.00 0.14 C ATOM 0 H LEU A 66 5.339 2.479 -5.756 1.00 0.08 H new ATOM 0 HA LEU A 66 3.107 4.132 -5.248 1.00 0.09 H new ATOM 0 HB2 LEU A 66 5.231 3.927 -7.364 1.00 0.11 H new ATOM 0 HB3 LEU A 66 3.877 5.014 -7.602 1.00 0.11 H new ATOM 0 HG LEU A 66 5.250 5.197 -4.967 1.00 0.12 H new ATOM 0 HD11 LEU A 66 7.063 6.589 -5.880 1.00 0.15 H new ATOM 0 HD12 LEU A 66 7.161 4.909 -6.460 1.00 0.15 H new ATOM 0 HD13 LEU A 66 6.535 6.185 -7.531 1.00 0.15 H new ATOM 0 HD21 LEU A 66 4.881 7.603 -5.358 1.00 0.14 H new ATOM 0 HD22 LEU A 66 4.261 7.238 -6.986 1.00 0.14 H new ATOM 0 HD23 LEU A 66 3.381 6.664 -5.549 1.00 0.14 H new ATOM 1093 N LYS A 67 2.657 1.744 -7.350 1.00 0.12 N ATOM 1094 CA LYS A 67 1.673 1.061 -8.173 1.00 0.16 C ATOM 1095 C LYS A 67 0.517 0.623 -7.299 1.00 0.14 C ATOM 1096 O LYS A 67 -0.647 0.704 -7.690 1.00 0.16 O ATOM 1097 CB LYS A 67 2.285 -0.159 -8.861 1.00 0.22 C ATOM 1098 CG LYS A 67 3.213 0.193 -10.012 1.00 0.84 C ATOM 1099 CD LYS A 67 2.441 0.776 -11.184 1.00 1.26 C ATOM 1100 CE LYS A 67 1.387 -0.194 -11.689 1.00 1.56 C ATOM 1101 NZ LYS A 67 1.991 -1.330 -12.439 1.00 2.20 N ATOM 0 H LYS A 67 3.478 1.183 -7.123 1.00 0.12 H new ATOM 0 HA LYS A 67 1.324 1.748 -8.944 1.00 0.16 H new ATOM 0 HB2 LYS A 67 2.838 -0.742 -8.124 1.00 0.22 H new ATOM 0 HB3 LYS A 67 1.483 -0.796 -9.234 1.00 0.22 H new ATOM 0 HG2 LYS A 67 3.961 0.910 -9.673 1.00 0.84 H new ATOM 0 HG3 LYS A 67 3.750 -0.699 -10.335 1.00 0.84 H new ATOM 0 HD2 LYS A 67 1.965 1.708 -10.881 1.00 1.26 H new ATOM 0 HD3 LYS A 67 3.131 1.019 -11.992 1.00 1.26 H new ATOM 0 HE2 LYS A 67 0.815 -0.580 -10.845 1.00 1.56 H new ATOM 0 HE3 LYS A 67 0.686 0.335 -12.334 1.00 1.56 H new ATOM 0 HZ1 LYS A 67 1.239 -1.969 -12.767 1.00 2.20 H new ATOM 0 HZ2 LYS A 67 2.516 -0.965 -13.259 1.00 2.20 H new ATOM 0 HZ3 LYS A 67 2.641 -1.851 -11.816 1.00 2.20 H new ATOM 1115 N ALA A 68 0.858 0.165 -6.099 1.00 0.12 N ATOM 1116 CA ALA A 68 -0.138 -0.284 -5.144 1.00 0.14 C ATOM 1117 C ALA A 68 -0.923 0.903 -4.610 1.00 0.13 C ATOM 1118 O ALA A 68 -2.122 0.812 -4.372 1.00 0.23 O ATOM 1119 CB ALA A 68 0.525 -1.047 -4.005 1.00 0.17 C ATOM 0 H ALA A 68 1.820 0.097 -5.768 1.00 0.12 H new ATOM 0 HA ALA A 68 -0.830 -0.958 -5.649 1.00 0.14 H new ATOM 0 HB1 ALA A 68 -0.235 -1.377 -3.297 1.00 0.17 H new ATOM 0 HB2 ALA A 68 1.049 -1.915 -4.405 1.00 0.17 H new ATOM 0 HB3 ALA A 68 1.236 -0.396 -3.496 1.00 0.17 H new ATOM 1125 N PHE A 69 -0.232 2.025 -4.446 1.00 0.11 N ATOM 1126 CA PHE A 69 -0.846 3.242 -3.940 1.00 0.11 C ATOM 1127 C PHE A 69 -2.013 3.687 -4.818 1.00 0.10 C ATOM 1128 O PHE A 69 -3.065 4.079 -4.315 1.00 0.12 O ATOM 1129 CB PHE A 69 0.193 4.363 -3.882 1.00 0.11 C ATOM 1130 CG PHE A 69 1.322 4.148 -2.900 1.00 0.10 C ATOM 1131 CD1 PHE A 69 1.313 3.092 -2.000 1.00 0.10 C ATOM 1132 CD2 PHE A 69 2.399 5.023 -2.882 1.00 0.11 C ATOM 1133 CE1 PHE A 69 2.351 2.918 -1.103 1.00 0.10 C ATOM 1134 CE2 PHE A 69 3.438 4.851 -1.988 1.00 0.12 C ATOM 1135 CZ PHE A 69 3.415 3.798 -1.096 1.00 0.12 C ATOM 0 H PHE A 69 0.762 2.115 -4.659 1.00 0.11 H new ATOM 0 HA PHE A 69 -1.227 3.030 -2.941 1.00 0.11 H new ATOM 0 HB2 PHE A 69 0.619 4.493 -4.877 1.00 0.11 H new ATOM 0 HB3 PHE A 69 -0.315 5.294 -3.628 1.00 0.11 H new ATOM 0 HD1 PHE A 69 0.486 2.398 -2.000 1.00 0.10 H new ATOM 0 HD2 PHE A 69 2.425 5.850 -3.576 1.00 0.11 H new ATOM 0 HE1 PHE A 69 2.329 2.093 -0.407 1.00 0.10 H new ATOM 0 HE2 PHE A 69 4.269 5.541 -1.987 1.00 0.12 H new ATOM 0 HZ PHE A 69 4.226 3.663 -0.395 1.00 0.12 H new ATOM 1145 N GLY A 70 -1.820 3.617 -6.132 1.00 0.11 N ATOM 1146 CA GLY A 70 -2.852 4.048 -7.061 1.00 0.13 C ATOM 1147 C GLY A 70 -4.049 3.123 -7.128 1.00 0.13 C ATOM 1148 O GLY A 70 -5.188 3.579 -7.026 1.00 0.13 O ATOM 0 H GLY A 70 -0.967 3.270 -6.571 1.00 0.11 H new ATOM 0 HA2 GLY A 70 -3.191 5.043 -6.774 1.00 0.13 H new ATOM 0 HA3 GLY A 70 -2.417 4.134 -8.057 1.00 0.13 H new ATOM 1152 N ILE A 71 -3.805 1.831 -7.304 1.00 0.14 N ATOM 1153 CA ILE A 71 -4.889 0.863 -7.389 1.00 0.15 C ATOM 1154 C ILE A 71 -5.806 0.983 -6.177 1.00 0.13 C ATOM 1155 O ILE A 71 -7.020 0.808 -6.285 1.00 0.13 O ATOM 1156 CB ILE A 71 -4.346 -0.573 -7.494 1.00 0.19 C ATOM 1157 CG1 ILE A 71 -3.396 -0.681 -8.688 1.00 0.22 C ATOM 1158 CG2 ILE A 71 -5.492 -1.565 -7.633 1.00 0.22 C ATOM 1159 CD1 ILE A 71 -2.303 -1.707 -8.500 1.00 0.25 C ATOM 0 H ILE A 71 -2.871 1.431 -7.390 1.00 0.14 H new ATOM 0 HA ILE A 71 -5.459 1.081 -8.292 1.00 0.15 H new ATOM 0 HB ILE A 71 -3.797 -0.812 -6.583 1.00 0.19 H new ATOM 0 HG12 ILE A 71 -3.972 -0.935 -9.578 1.00 0.22 H new ATOM 0 HG13 ILE A 71 -2.941 0.293 -8.869 1.00 0.22 H new ATOM 0 HG21 ILE A 71 -5.091 -2.576 -7.706 1.00 0.22 H new ATOM 0 HG22 ILE A 71 -6.142 -1.495 -6.761 1.00 0.22 H new ATOM 0 HG23 ILE A 71 -6.065 -1.336 -8.532 1.00 0.22 H new ATOM 0 HD11 ILE A 71 -1.668 -1.729 -9.386 1.00 0.25 H new ATOM 0 HD12 ILE A 71 -1.702 -1.444 -7.629 1.00 0.25 H new ATOM 0 HD13 ILE A 71 -2.749 -2.690 -8.349 1.00 0.25 H new ATOM 1171 N VAL A 72 -5.216 1.282 -5.024 1.00 0.11 N ATOM 1172 CA VAL A 72 -5.990 1.447 -3.797 1.00 0.11 C ATOM 1173 C VAL A 72 -6.800 2.734 -3.860 1.00 0.12 C ATOM 1174 O VAL A 72 -7.995 2.746 -3.575 1.00 0.15 O ATOM 1175 CB VAL A 72 -5.093 1.497 -2.545 1.00 0.11 C ATOM 1176 CG1 VAL A 72 -5.940 1.586 -1.280 1.00 0.12 C ATOM 1177 CG2 VAL A 72 -4.161 0.297 -2.492 1.00 0.12 C ATOM 0 H VAL A 72 -4.211 1.414 -4.913 1.00 0.11 H new ATOM 0 HA VAL A 72 -6.647 0.581 -3.719 1.00 0.11 H new ATOM 0 HB VAL A 72 -4.477 2.394 -2.606 1.00 0.11 H new ATOM 0 HG11 VAL A 72 -5.288 1.620 -0.407 1.00 0.12 H new ATOM 0 HG12 VAL A 72 -6.550 2.489 -1.313 1.00 0.12 H new ATOM 0 HG13 VAL A 72 -6.589 0.712 -1.214 1.00 0.12 H new ATOM 0 HG21 VAL A 72 -3.540 0.358 -1.599 1.00 0.12 H new ATOM 0 HG22 VAL A 72 -4.750 -0.620 -2.463 1.00 0.12 H new ATOM 0 HG23 VAL A 72 -3.524 0.291 -3.377 1.00 0.12 H new ATOM 1187 N ILE A 73 -6.120 3.812 -4.238 1.00 0.13 N ATOM 1188 CA ILE A 73 -6.732 5.132 -4.340 1.00 0.16 C ATOM 1189 C ILE A 73 -7.987 5.121 -5.217 1.00 0.19 C ATOM 1190 O ILE A 73 -8.986 5.755 -4.889 1.00 0.28 O ATOM 1191 CB ILE A 73 -5.721 6.157 -4.901 1.00 0.18 C ATOM 1192 CG1 ILE A 73 -4.742 6.586 -3.809 1.00 0.16 C ATOM 1193 CG2 ILE A 73 -6.451 7.360 -5.466 1.00 0.24 C ATOM 1194 CD1 ILE A 73 -3.610 7.456 -4.306 1.00 0.16 C ATOM 0 H ILE A 73 -5.130 3.795 -4.482 1.00 0.13 H new ATOM 0 HA ILE A 73 -7.028 5.422 -3.332 1.00 0.16 H new ATOM 0 HB ILE A 73 -5.156 5.688 -5.706 1.00 0.18 H new ATOM 0 HG12 ILE A 73 -5.289 7.126 -3.036 1.00 0.16 H new ATOM 0 HG13 ILE A 73 -4.323 5.695 -3.340 1.00 0.16 H new ATOM 0 HG21 ILE A 73 -5.727 8.074 -5.858 1.00 0.24 H new ATOM 0 HG22 ILE A 73 -7.115 7.039 -6.269 1.00 0.24 H new ATOM 0 HG23 ILE A 73 -7.037 7.833 -4.678 1.00 0.24 H new ATOM 0 HD11 ILE A 73 -2.959 7.718 -3.472 1.00 0.16 H new ATOM 0 HD12 ILE A 73 -3.036 6.913 -5.057 1.00 0.16 H new ATOM 0 HD13 ILE A 73 -4.017 8.365 -4.748 1.00 0.16 H new ATOM 1206 N ASP A 74 -7.913 4.421 -6.336 1.00 0.18 N ATOM 1207 CA ASP A 74 -9.040 4.330 -7.270 1.00 0.21 C ATOM 1208 C ASP A 74 -10.245 3.657 -6.621 1.00 0.19 C ATOM 1209 O ASP A 74 -11.310 4.262 -6.514 1.00 0.22 O ATOM 1210 CB ASP A 74 -8.631 3.564 -8.529 1.00 0.26 C ATOM 1211 CG ASP A 74 -9.734 3.537 -9.571 1.00 0.44 C ATOM 1212 OD1 ASP A 74 -10.626 2.669 -9.467 1.00 0.55 O ATOM 1213 OD2 ASP A 74 -9.704 4.383 -10.488 1.00 0.61 O ATOM 0 H ASP A 74 -7.084 3.903 -6.627 1.00 0.18 H new ATOM 0 HA ASP A 74 -9.324 5.346 -7.546 1.00 0.21 H new ATOM 0 HB2 ASP A 74 -7.740 4.023 -8.958 1.00 0.26 H new ATOM 0 HB3 ASP A 74 -8.364 2.542 -8.259 1.00 0.26 H new ATOM 1218 N TYR A 75 -10.087 2.399 -6.202 1.00 0.20 N ATOM 1219 CA TYR A 75 -11.176 1.685 -5.541 1.00 0.25 C ATOM 1220 C TYR A 75 -11.640 2.498 -4.346 1.00 0.27 C ATOM 1221 O TYR A 75 -12.809 2.477 -3.971 1.00 0.34 O ATOM 1222 CB TYR A 75 -10.740 0.272 -5.126 1.00 0.31 C ATOM 1223 CG TYR A 75 -11.075 -0.802 -6.152 1.00 0.52 C ATOM 1224 CD1 TYR A 75 -11.436 -0.468 -7.452 1.00 0.26 C ATOM 1225 CD2 TYR A 75 -11.031 -2.152 -5.817 1.00 1.16 C ATOM 1226 CE1 TYR A 75 -11.741 -1.439 -8.386 1.00 0.40 C ATOM 1227 CE2 TYR A 75 -11.332 -3.131 -6.747 1.00 1.41 C ATOM 1228 CZ TYR A 75 -11.686 -2.769 -8.029 1.00 0.99 C ATOM 1229 OH TYR A 75 -11.988 -3.741 -8.956 1.00 1.24 O ATOM 0 H TYR A 75 -9.226 1.862 -6.308 1.00 0.20 H new ATOM 0 HA TYR A 75 -12.007 1.565 -6.236 1.00 0.25 H new ATOM 0 HB2 TYR A 75 -9.664 0.271 -4.951 1.00 0.31 H new ATOM 0 HB3 TYR A 75 -11.217 0.018 -4.179 1.00 0.31 H new ATOM 0 HD1 TYR A 75 -11.479 0.573 -7.738 1.00 0.26 H new ATOM 0 HD2 TYR A 75 -10.757 -2.441 -4.813 1.00 1.16 H new ATOM 0 HE1 TYR A 75 -12.021 -1.157 -9.390 1.00 0.40 H new ATOM 0 HE2 TYR A 75 -11.290 -4.174 -6.470 1.00 1.41 H new ATOM 0 HH TYR A 75 -11.900 -4.625 -8.543 1.00 1.24 H new ATOM 1239 N LYS A 76 -10.697 3.217 -3.757 1.00 0.24 N ATOM 1240 CA LYS A 76 -10.973 4.091 -2.630 1.00 0.30 C ATOM 1241 C LYS A 76 -11.851 5.243 -3.101 1.00 0.37 C ATOM 1242 O LYS A 76 -12.773 5.678 -2.410 1.00 0.51 O ATOM 1243 CB LYS A 76 -9.653 4.634 -2.086 1.00 0.29 C ATOM 1244 CG LYS A 76 -9.806 5.695 -1.013 1.00 0.40 C ATOM 1245 CD LYS A 76 -8.889 6.876 -1.294 1.00 0.43 C ATOM 1246 CE LYS A 76 -8.278 7.425 -0.020 1.00 0.75 C ATOM 1247 NZ LYS A 76 -9.319 7.914 0.925 1.00 1.66 N ATOM 0 H LYS A 76 -9.719 3.210 -4.048 1.00 0.24 H new ATOM 0 HA LYS A 76 -11.489 3.540 -1.843 1.00 0.30 H new ATOM 0 HB2 LYS A 76 -9.073 3.805 -1.680 1.00 0.29 H new ATOM 0 HB3 LYS A 76 -9.078 5.051 -2.913 1.00 0.29 H new ATOM 0 HG2 LYS A 76 -10.842 6.033 -0.973 1.00 0.40 H new ATOM 0 HG3 LYS A 76 -9.572 5.270 -0.037 1.00 0.40 H new ATOM 0 HD2 LYS A 76 -8.096 6.567 -1.975 1.00 0.43 H new ATOM 0 HD3 LYS A 76 -9.452 7.663 -1.796 1.00 0.43 H new ATOM 0 HE2 LYS A 76 -7.685 6.649 0.463 1.00 0.75 H new ATOM 0 HE3 LYS A 76 -7.597 8.240 -0.265 1.00 0.75 H new ATOM 0 HZ1 LYS A 76 -8.955 8.736 1.447 1.00 1.66 H new ATOM 0 HZ2 LYS A 76 -10.169 8.190 0.393 1.00 1.66 H new ATOM 0 HZ3 LYS A 76 -9.562 7.157 1.596 1.00 1.66 H new ATOM 1261 N GLU A 77 -11.537 5.721 -4.297 1.00 0.31 N ATOM 1262 CA GLU A 77 -12.253 6.818 -4.925 1.00 0.36 C ATOM 1263 C GLU A 77 -13.615 6.360 -5.439 1.00 0.34 C ATOM 1264 O GLU A 77 -14.526 7.169 -5.620 1.00 0.39 O ATOM 1265 CB GLU A 77 -11.408 7.371 -6.074 1.00 0.38 C ATOM 1266 CG GLU A 77 -10.381 8.400 -5.631 1.00 0.49 C ATOM 1267 CD GLU A 77 -10.580 9.747 -6.296 1.00 0.80 C ATOM 1268 OE1 GLU A 77 -10.061 9.939 -7.416 1.00 1.16 O ATOM 1269 OE2 GLU A 77 -11.254 10.612 -5.697 1.00 1.09 O ATOM 0 H GLU A 77 -10.771 5.354 -4.862 1.00 0.31 H new ATOM 0 HA GLU A 77 -12.425 7.600 -4.186 1.00 0.36 H new ATOM 0 HB2 GLU A 77 -10.894 6.545 -6.567 1.00 0.38 H new ATOM 0 HB3 GLU A 77 -12.068 7.823 -6.815 1.00 0.38 H new ATOM 0 HG2 GLU A 77 -10.437 8.521 -4.549 1.00 0.49 H new ATOM 0 HG3 GLU A 77 -9.381 8.031 -5.859 1.00 0.49 H new ATOM 1276 N ARG A 78 -13.743 5.059 -5.672 1.00 0.31 N ATOM 1277 CA ARG A 78 -14.989 4.484 -6.167 1.00 0.33 C ATOM 1278 C ARG A 78 -15.824 3.931 -5.021 1.00 0.36 C ATOM 1279 O ARG A 78 -16.751 3.148 -5.237 1.00 0.43 O ATOM 1280 CB ARG A 78 -14.692 3.367 -7.163 1.00 0.34 C ATOM 1281 CG ARG A 78 -14.179 3.859 -8.505 1.00 0.46 C ATOM 1282 CD ARG A 78 -14.039 2.717 -9.495 1.00 0.42 C ATOM 1283 NE ARG A 78 -13.477 3.162 -10.767 1.00 1.15 N ATOM 1284 CZ ARG A 78 -14.025 2.900 -11.951 1.00 1.36 C ATOM 1285 NH1 ARG A 78 -15.148 2.199 -12.025 1.00 1.04 N ATOM 1286 NH2 ARG A 78 -13.449 3.339 -13.062 1.00 2.37 N ATOM 0 H ARG A 78 -12.996 4.380 -5.526 1.00 0.31 H new ATOM 0 HA ARG A 78 -15.553 5.274 -6.662 1.00 0.33 H new ATOM 0 HB2 ARG A 78 -13.954 2.693 -6.728 1.00 0.34 H new ATOM 0 HB3 ARG A 78 -15.600 2.786 -7.323 1.00 0.34 H new ATOM 0 HG2 ARG A 78 -14.862 4.608 -8.905 1.00 0.46 H new ATOM 0 HG3 ARG A 78 -13.214 4.347 -8.371 1.00 0.46 H new ATOM 0 HD2 ARG A 78 -13.401 1.943 -9.068 1.00 0.42 H new ATOM 0 HD3 ARG A 78 -15.016 2.266 -9.668 1.00 0.42 H new ATOM 0 HE ARG A 78 -12.614 3.705 -10.747 1.00 1.15 H new ATOM 0 HH11 ARG A 78 -15.594 1.859 -11.173 1.00 1.04 H new ATOM 0 HH12 ARG A 78 -15.566 2.000 -12.934 1.00 1.04 H new ATOM 0 HH21 ARG A 78 -12.585 3.878 -13.010 1.00 2.37 H new ATOM 0 HH22 ARG A 78 -13.870 3.137 -13.969 1.00 2.37 H new ATOM 1300 N ASP A 79 -15.492 4.347 -3.805 1.00 0.38 N ATOM 1301 CA ASP A 79 -16.193 3.894 -2.618 1.00 0.43 C ATOM 1302 C ASP A 79 -16.276 2.371 -2.587 1.00 0.40 C ATOM 1303 O ASP A 79 -17.202 1.799 -2.010 1.00 0.47 O ATOM 1304 CB ASP A 79 -17.584 4.510 -2.574 1.00 0.54 C ATOM 1305 CG ASP A 79 -17.585 5.967 -2.991 1.00 1.47 C ATOM 1306 OD1 ASP A 79 -17.375 6.835 -2.117 1.00 2.13 O ATOM 1307 OD2 ASP A 79 -17.796 6.242 -4.190 1.00 2.00 O ATOM 0 H ASP A 79 -14.734 5.003 -3.618 1.00 0.38 H new ATOM 0 HA ASP A 79 -15.637 4.216 -1.737 1.00 0.43 H new ATOM 0 HB2 ASP A 79 -18.248 3.947 -3.230 1.00 0.54 H new ATOM 0 HB3 ASP A 79 -17.985 4.424 -1.564 1.00 0.54 H new ATOM 1312 N LEU A 80 -15.296 1.725 -3.211 1.00 0.32 N ATOM 1313 CA LEU A 80 -15.243 0.271 -3.262 1.00 0.32 C ATOM 1314 C LEU A 80 -14.636 -0.283 -1.978 1.00 0.31 C ATOM 1315 O LEU A 80 -14.965 -1.389 -1.548 1.00 0.50 O ATOM 1316 CB LEU A 80 -14.446 -0.194 -4.484 1.00 0.29 C ATOM 1317 CG LEU A 80 -15.287 -0.858 -5.572 1.00 0.36 C ATOM 1318 CD1 LEU A 80 -15.723 0.169 -6.599 1.00 0.38 C ATOM 1319 CD2 LEU A 80 -14.504 -1.965 -6.242 1.00 0.39 C ATOM 0 H LEU A 80 -14.525 2.190 -3.690 1.00 0.32 H new ATOM 0 HA LEU A 80 -16.260 -0.111 -3.353 1.00 0.32 H new ATOM 0 HB2 LEU A 80 -13.930 0.665 -4.914 1.00 0.29 H new ATOM 0 HB3 LEU A 80 -13.679 -0.895 -4.156 1.00 0.29 H new ATOM 0 HG LEU A 80 -16.174 -1.290 -5.109 1.00 0.36 H new ATOM 0 HD11 LEU A 80 -16.322 -0.318 -7.369 1.00 0.38 H new ATOM 0 HD12 LEU A 80 -16.318 0.942 -6.111 1.00 0.38 H new ATOM 0 HD13 LEU A 80 -14.844 0.623 -7.056 1.00 0.38 H new ATOM 0 HD21 LEU A 80 -15.117 -2.428 -7.015 1.00 0.39 H new ATOM 0 HD22 LEU A 80 -13.603 -1.551 -6.694 1.00 0.39 H new ATOM 0 HD23 LEU A 80 -14.227 -2.715 -5.501 1.00 0.39 H new ATOM 1331 N ILE A 81 -13.747 0.497 -1.371 1.00 0.18 N ATOM 1332 CA ILE A 81 -13.106 0.108 -0.120 1.00 0.14 C ATOM 1333 C ILE A 81 -14.007 0.455 1.054 1.00 0.13 C ATOM 1334 O ILE A 81 -14.557 1.556 1.120 1.00 0.15 O ATOM 1335 CB ILE A 81 -11.750 0.817 0.060 1.00 0.13 C ATOM 1336 CG1 ILE A 81 -10.792 0.413 -1.063 1.00 0.15 C ATOM 1337 CG2 ILE A 81 -11.151 0.487 1.425 1.00 0.11 C ATOM 1338 CD1 ILE A 81 -9.463 1.137 -1.023 1.00 0.17 C ATOM 0 H ILE A 81 -13.453 1.406 -1.727 1.00 0.18 H new ATOM 0 HA ILE A 81 -12.935 -0.968 -0.155 1.00 0.14 H new ATOM 0 HB ILE A 81 -11.908 1.894 0.010 1.00 0.13 H new ATOM 0 HG12 ILE A 81 -10.612 -0.661 -1.006 1.00 0.15 H new ATOM 0 HG13 ILE A 81 -11.271 0.605 -2.023 1.00 0.15 H new ATOM 0 HG21 ILE A 81 -10.194 0.996 1.535 1.00 0.11 H new ATOM 0 HG22 ILE A 81 -11.830 0.818 2.210 1.00 0.11 H new ATOM 0 HG23 ILE A 81 -11.001 -0.590 1.506 1.00 0.11 H new ATOM 0 HD11 ILE A 81 -8.839 0.798 -1.850 1.00 0.17 H new ATOM 0 HD12 ILE A 81 -9.631 2.210 -1.112 1.00 0.17 H new ATOM 0 HD13 ILE A 81 -8.961 0.925 -0.079 1.00 0.17 H new ATOM 1350 N ASP A 82 -14.159 -0.482 1.981 1.00 0.13 N ATOM 1351 CA ASP A 82 -15.002 -0.262 3.145 1.00 0.13 C ATOM 1352 C ASP A 82 -14.527 0.954 3.923 1.00 0.13 C ATOM 1353 O ASP A 82 -13.338 1.094 4.214 1.00 0.13 O ATOM 1354 CB ASP A 82 -14.990 -1.488 4.053 1.00 0.15 C ATOM 1355 CG ASP A 82 -16.281 -1.642 4.832 1.00 0.20 C ATOM 1356 OD1 ASP A 82 -16.433 -0.965 5.870 1.00 0.41 O ATOM 1357 OD2 ASP A 82 -17.141 -2.440 4.405 1.00 0.47 O ATOM 0 H ASP A 82 -13.711 -1.398 1.948 1.00 0.13 H new ATOM 0 HA ASP A 82 -16.020 -0.087 2.798 1.00 0.13 H new ATOM 0 HB2 ASP A 82 -14.823 -2.381 3.451 1.00 0.15 H new ATOM 0 HB3 ASP A 82 -14.155 -1.413 4.750 1.00 0.15 H new ATOM 1362 N ARG A 83 -15.463 1.834 4.258 1.00 0.15 N ATOM 1363 CA ARG A 83 -15.141 3.037 5.006 1.00 0.16 C ATOM 1364 C ARG A 83 -14.533 2.679 6.355 1.00 0.18 C ATOM 1365 O ARG A 83 -13.980 3.535 7.044 1.00 0.20 O ATOM 1366 CB ARG A 83 -16.382 3.912 5.182 1.00 0.19 C ATOM 1367 CG ARG A 83 -16.739 4.707 3.934 1.00 0.33 C ATOM 1368 CD ARG A 83 -15.649 5.710 3.578 1.00 0.63 C ATOM 1369 NE ARG A 83 -15.868 6.326 2.271 1.00 0.52 N ATOM 1370 CZ ARG A 83 -16.775 7.273 2.046 1.00 0.81 C ATOM 1371 NH1 ARG A 83 -17.545 7.706 3.034 1.00 0.90 N ATOM 1372 NH2 ARG A 83 -16.912 7.787 0.832 1.00 1.48 N ATOM 0 H ARG A 83 -16.450 1.735 4.022 1.00 0.15 H new ATOM 0 HA ARG A 83 -14.404 3.607 4.441 1.00 0.16 H new ATOM 0 HB2 ARG A 83 -17.227 3.281 5.457 1.00 0.19 H new ATOM 0 HB3 ARG A 83 -16.217 4.602 6.009 1.00 0.19 H new ATOM 0 HG2 ARG A 83 -16.893 4.024 3.098 1.00 0.33 H new ATOM 0 HG3 ARG A 83 -17.680 5.233 4.094 1.00 0.33 H new ATOM 0 HD2 ARG A 83 -15.610 6.487 4.341 1.00 0.63 H new ATOM 0 HD3 ARG A 83 -14.681 5.209 3.583 1.00 0.63 H new ATOM 0 HE ARG A 83 -15.294 6.013 1.488 1.00 0.52 H new ATOM 0 HH11 ARG A 83 -17.443 7.313 3.970 1.00 0.90 H new ATOM 0 HH12 ARG A 83 -18.240 8.432 2.859 1.00 0.90 H new ATOM 0 HH21 ARG A 83 -16.322 7.457 0.069 1.00 1.48 H new ATOM 0 HH22 ARG A 83 -17.608 8.513 0.661 1.00 1.48 H new ATOM 1386 N SER A 84 -14.645 1.407 6.729 1.00 0.17 N ATOM 1387 CA SER A 84 -14.082 0.935 7.984 1.00 0.20 C ATOM 1388 C SER A 84 -12.570 1.110 7.963 1.00 0.19 C ATOM 1389 O SER A 84 -11.961 1.485 8.965 1.00 0.23 O ATOM 1390 CB SER A 84 -14.441 -0.532 8.221 1.00 0.22 C ATOM 1391 OG SER A 84 -15.834 -0.689 8.429 1.00 1.09 O ATOM 0 H SER A 84 -15.119 0.689 6.181 1.00 0.17 H new ATOM 0 HA SER A 84 -14.502 1.523 8.800 1.00 0.20 H new ATOM 0 HB2 SER A 84 -14.128 -1.129 7.364 1.00 0.22 H new ATOM 0 HB3 SER A 84 -13.896 -0.908 9.087 1.00 0.22 H new ATOM 0 HG SER A 84 -16.307 -0.571 7.579 1.00 1.09 H new ATOM 1397 N ALA A 85 -11.971 0.841 6.803 1.00 0.16 N ATOM 1398 CA ALA A 85 -10.530 0.984 6.638 1.00 0.16 C ATOM 1399 C ALA A 85 -10.125 2.440 6.805 1.00 0.19 C ATOM 1400 O ALA A 85 -9.128 2.750 7.457 1.00 0.22 O ATOM 1401 CB ALA A 85 -10.092 0.470 5.272 1.00 0.14 C ATOM 0 H ALA A 85 -12.462 0.524 5.967 1.00 0.16 H new ATOM 0 HA ALA A 85 -10.034 0.389 7.405 1.00 0.16 H new ATOM 0 HB1 ALA A 85 -9.013 0.586 5.169 1.00 0.14 H new ATOM 0 HB2 ALA A 85 -10.355 -0.584 5.178 1.00 0.14 H new ATOM 0 HB3 ALA A 85 -10.595 1.040 4.491 1.00 0.14 H new ATOM 1407 N TYR A 86 -10.919 3.324 6.208 1.00 0.20 N ATOM 1408 CA TYR A 86 -10.668 4.764 6.277 1.00 0.25 C ATOM 1409 C TYR A 86 -10.364 5.201 7.706 1.00 0.31 C ATOM 1410 O TYR A 86 -11.322 5.376 8.488 1.00 1.10 O ATOM 1411 CB TYR A 86 -11.876 5.544 5.747 1.00 0.28 C ATOM 1412 CG TYR A 86 -12.066 5.453 4.250 1.00 0.28 C ATOM 1413 CD1 TYR A 86 -12.176 4.224 3.622 1.00 0.23 C ATOM 1414 CD2 TYR A 86 -12.146 6.599 3.469 1.00 0.40 C ATOM 1415 CE1 TYR A 86 -12.359 4.132 2.257 1.00 0.26 C ATOM 1416 CE2 TYR A 86 -12.329 6.518 2.102 1.00 0.44 C ATOM 1417 CZ TYR A 86 -12.435 5.281 1.501 1.00 0.34 C ATOM 1418 OH TYR A 86 -12.622 5.195 0.142 1.00 0.40 O ATOM 1419 OXT TYR A 86 -9.169 5.366 8.032 1.00 1.02 O ATOM 0 H TYR A 86 -11.746 3.069 5.668 1.00 0.20 H new ATOM 0 HA TYR A 86 -9.799 4.979 5.655 1.00 0.25 H new ATOM 0 HB2 TYR A 86 -12.776 5.175 6.239 1.00 0.28 H new ATOM 0 HB3 TYR A 86 -11.767 6.592 6.025 1.00 0.28 H new ATOM 0 HD1 TYR A 86 -12.118 3.321 4.211 1.00 0.23 H new ATOM 0 HD2 TYR A 86 -12.064 7.568 3.938 1.00 0.40 H new ATOM 0 HE1 TYR A 86 -12.442 3.165 1.784 1.00 0.26 H new ATOM 0 HE2 TYR A 86 -12.389 7.418 1.508 1.00 0.44 H new ATOM 0 HH TYR A 86 -12.813 6.086 -0.219 1.00 0.40 H new