USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 548 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 49 GLN : amide:sc= 0.838 K(o=2.8,f=-2.8) USER MOD Set 1.2: A 57 ASN : amide:sc= 0.869 K(o=2.8,f=-2.8!) USER MOD Set 1.3: A 61 HIS : no HE2:sc= 1.06 K(o=2.8,f=-2.4!) USER MOD Set 2.1: A 39 HIS : no HE2:sc= 0.0475 K(o=0.79,f=-2.7!) USER MOD Set 2.2: A 63 HIS : no HE2:sc= 0.747 K(o=0.79,f=-2.9!) USER MOD Set 3.1: A 16 ASN : amide:sc= -2.22 K(o=-2.1,f=-0.66!) USER MOD Set 3.2: A 21 THR OG1 : rot 100:sc= 0.106 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 136:sc= 1.27 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.095 USER MOD Single : A 13 GLN : amide:sc= -1.88! K(o=-1.9!,f=-0.54) USER MOD Single : A 14 LYS NZ :NH3+ 155:sc= 2 (180deg=0.706) USER MOD Single : A 15 HIS : no HE2:sc= -1.03 K(o=-1,f=-5!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.43 K(o=-0.43,f=-1.1) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 150:sc= 2.23 (180deg=1.51) USER MOD Single : A 30 TYR OH : rot 24:sc= 1.11 USER MOD Single : A 33 THR OG1 : rot 92:sc= 2.18 USER MOD Single : A 34 LYS NZ :NH3+ -159:sc= 0.82 (180deg=-1.14!) USER MOD Single : A 55 THR OG1 : rot 60:sc= 1.13 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 74:sc= 1.3 USER MOD Single : A 71 SER OG : rot 176:sc= 0.35 USER MOD Single : A 72 LYS NZ :NH3+ -131:sc= 0.669 (180deg=-3.18!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0766 USER MOD Single : A 80 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-0.093) USER MOD ----------------------------------------------------------------- ATOM 51 N TYR A 6 -7.709 13.602 -1.524 1.00 10.00 N ATOM 52 CA TYR A 6 -8.414 12.366 -1.326 1.00 10.00 C ATOM 53 C TYR A 6 -8.539 11.573 -2.608 1.00 10.00 C ATOM 54 O TYR A 6 -8.497 12.090 -3.722 1.00 10.00 O ATOM 55 CB TYR A 6 -9.764 12.504 -0.632 1.00 10.00 C ATOM 56 CG TYR A 6 -9.757 12.885 0.818 1.00 10.00 C ATOM 57 CD1 TYR A 6 -9.187 11.953 1.689 1.00 10.00 C ATOM 58 CD2 TYR A 6 -10.651 13.849 1.315 1.00 10.00 C ATOM 59 CE1 TYR A 6 -9.550 11.931 3.036 1.00 10.00 C ATOM 60 CE2 TYR A 6 -10.938 13.892 2.692 1.00 10.00 C ATOM 61 CZ TYR A 6 -10.390 12.927 3.555 1.00 10.00 C ATOM 62 OH TYR A 6 -10.751 12.899 4.870 1.00 10.00 O ATOM 0 HA TYR A 6 -7.788 11.807 -0.631 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -10.347 13.249 -1.174 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -10.291 11.555 -0.729 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -8.461 11.245 1.317 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -11.116 14.554 0.642 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -9.183 11.146 3.680 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -11.579 14.667 3.086 1.00 10.00 H new ATOM 0 HH TYR A 6 -11.334 13.662 5.065 1.00 10.00 H new ATOM 72 N TYR A 7 -8.601 10.271 -2.374 1.00 10.00 N ATOM 73 CA TYR A 7 -8.388 9.221 -3.315 1.00 10.00 C ATOM 74 C TYR A 7 -9.499 8.203 -3.109 1.00 10.00 C ATOM 75 O TYR A 7 -9.702 7.636 -2.041 1.00 10.00 O ATOM 76 CB TYR A 7 -7.010 8.674 -2.977 1.00 10.00 C ATOM 77 CG TYR A 7 -5.832 9.106 -3.844 1.00 10.00 C ATOM 78 CD1 TYR A 7 -5.910 10.229 -4.701 1.00 10.00 C ATOM 79 CD2 TYR A 7 -4.562 8.631 -3.481 1.00 10.00 C ATOM 80 CE1 TYR A 7 -4.756 10.957 -5.034 1.00 10.00 C ATOM 81 CE2 TYR A 7 -3.413 9.373 -3.795 1.00 10.00 C ATOM 82 CZ TYR A 7 -3.517 10.575 -4.507 1.00 10.00 C ATOM 83 OH TYR A 7 -2.493 11.476 -4.467 1.00 10.00 O ATOM 0 H TYR A 7 -8.819 9.911 -1.445 1.00 10.00 H new ATOM 0 HA TYR A 7 -8.415 9.522 -4.362 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -6.785 8.951 -1.947 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -7.066 7.586 -3.009 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -6.866 10.529 -5.103 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -4.469 7.691 -2.958 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -4.824 11.809 -5.695 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -2.442 9.015 -3.486 1.00 10.00 H new ATOM 0 HH TYR A 7 -2.042 11.420 -3.599 1.00 10.00 H new ATOM 93 N THR A 8 -10.273 8.038 -4.161 1.00 10.00 N ATOM 94 CA THR A 8 -11.519 7.303 -4.164 1.00 10.00 C ATOM 95 C THR A 8 -11.211 5.817 -4.309 1.00 10.00 C ATOM 96 O THR A 8 -10.293 5.477 -5.046 1.00 10.00 O ATOM 97 CB THR A 8 -12.322 7.814 -5.365 1.00 10.00 C ATOM 98 OG1 THR A 8 -11.460 7.979 -6.478 1.00 10.00 O ATOM 99 CG2 THR A 8 -12.902 9.191 -5.053 1.00 10.00 C ATOM 0 H THR A 8 -10.041 8.429 -5.074 1.00 10.00 H new ATOM 0 HA THR A 8 -12.085 7.443 -3.243 1.00 10.00 H new ATOM 0 HB THR A 8 -13.112 7.094 -5.578 1.00 10.00 H new ATOM 0 HG1 THR A 8 -11.975 8.304 -7.246 1.00 10.00 H new ATOM 0 HG21 THR A 8 -13.472 9.549 -5.911 1.00 10.00 H new ATOM 0 HG22 THR A 8 -13.558 9.121 -4.185 1.00 10.00 H new ATOM 0 HG23 THR A 8 -12.091 9.888 -4.840 1.00 10.00 H new ATOM 107 N LEU A 9 -11.984 4.923 -3.691 1.00 10.00 N ATOM 108 CA LEU A 9 -11.870 3.481 -3.917 1.00 10.00 C ATOM 109 C LEU A 9 -11.843 3.160 -5.416 1.00 10.00 C ATOM 110 O LEU A 9 -11.001 2.387 -5.870 1.00 10.00 O ATOM 111 CB LEU A 9 -12.992 2.801 -3.128 1.00 10.00 C ATOM 112 CG LEU A 9 -13.153 1.275 -3.169 1.00 10.00 C ATOM 113 CD1 LEU A 9 -13.661 0.746 -4.514 1.00 10.00 C ATOM 114 CD2 LEU A 9 -11.883 0.568 -2.681 1.00 10.00 C ATOM 0 H LEU A 9 -12.708 5.178 -3.019 1.00 10.00 H new ATOM 0 HA LEU A 9 -10.923 3.085 -3.549 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -12.869 3.084 -2.083 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -13.933 3.234 -3.467 1.00 10.00 H new ATOM 0 HG LEU A 9 -13.947 1.027 -2.465 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -13.750 -0.339 -4.468 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -14.637 1.181 -4.731 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -12.958 1.019 -5.301 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -12.029 -0.511 -2.722 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -11.044 0.845 -3.319 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -11.672 0.867 -1.654 1.00 10.00 H new ATOM 126 N GLU A 10 -12.697 3.849 -6.184 1.00 10.00 N ATOM 127 CA GLU A 10 -12.688 3.887 -7.645 1.00 10.00 C ATOM 128 C GLU A 10 -11.271 3.938 -8.217 1.00 10.00 C ATOM 129 O GLU A 10 -10.947 3.212 -9.154 1.00 10.00 O ATOM 130 CB GLU A 10 -13.460 5.134 -8.098 1.00 10.00 C ATOM 131 CG GLU A 10 -13.689 5.197 -9.614 1.00 10.00 C ATOM 132 CD GLU A 10 -14.491 4.014 -10.137 1.00 10.00 C ATOM 133 OE1 GLU A 10 -15.698 3.963 -9.831 1.00 10.00 O ATOM 134 OE2 GLU A 10 -13.869 3.173 -10.827 1.00 10.00 O ATOM 0 H GLU A 10 -13.443 4.418 -5.783 1.00 10.00 H new ATOM 0 HA GLU A 10 -13.154 2.973 -8.013 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -14.425 5.158 -7.592 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -12.914 6.023 -7.784 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -14.211 6.122 -9.860 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -12.725 5.230 -10.122 1.00 10.00 H new ATOM 141 N GLU A 11 -10.442 4.826 -7.668 1.00 10.00 N ATOM 142 CA GLU A 11 -9.022 4.906 -7.984 1.00 10.00 C ATOM 143 C GLU A 11 -8.254 3.780 -7.314 1.00 10.00 C ATOM 144 O GLU A 11 -7.480 3.083 -7.963 1.00 10.00 O ATOM 145 CB GLU A 11 -8.403 6.244 -7.526 1.00 10.00 C ATOM 146 CG GLU A 11 -8.636 7.425 -8.468 1.00 10.00 C ATOM 147 CD GLU A 11 -7.772 7.346 -9.732 1.00 10.00 C ATOM 148 OE1 GLU A 11 -7.277 6.238 -10.050 1.00 10.00 O ATOM 149 OE2 GLU A 11 -7.587 8.398 -10.372 1.00 10.00 O ATOM 0 H GLU A 11 -10.745 5.518 -6.983 1.00 10.00 H new ATOM 0 HA GLU A 11 -8.945 4.826 -9.068 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -8.807 6.496 -6.546 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -7.329 6.105 -7.402 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -9.688 7.457 -8.752 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -8.420 8.354 -7.941 1.00 10.00 H new ATOM 156 N ILE A 12 -8.402 3.642 -6.000 1.00 10.00 N ATOM 157 CA ILE A 12 -7.490 2.831 -5.216 1.00 10.00 C ATOM 158 C ILE A 12 -7.455 1.400 -5.738 1.00 10.00 C ATOM 159 O ILE A 12 -6.368 0.854 -5.895 1.00 10.00 O ATOM 160 CB ILE A 12 -7.788 2.934 -3.709 1.00 10.00 C ATOM 161 CG1 ILE A 12 -7.691 4.389 -3.215 1.00 10.00 C ATOM 162 CG2 ILE A 12 -6.771 2.107 -2.913 1.00 10.00 C ATOM 163 CD1 ILE A 12 -8.476 4.616 -1.926 1.00 10.00 C ATOM 0 H ILE A 12 -9.146 4.083 -5.460 1.00 10.00 H new ATOM 0 HA ILE A 12 -6.481 3.226 -5.337 1.00 10.00 H new ATOM 0 HB ILE A 12 -8.801 2.561 -3.556 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.644 4.646 -3.051 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -8.066 5.059 -3.989 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -6.991 2.187 -1.848 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -6.832 1.063 -3.219 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -5.766 2.483 -3.105 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -8.377 5.657 -1.618 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.528 4.387 -2.095 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -8.085 3.967 -1.143 1.00 10.00 H new ATOM 175 N GLN A 13 -8.611 0.818 -6.073 1.00 10.00 N ATOM 176 CA GLN A 13 -8.613 -0.537 -6.633 1.00 10.00 C ATOM 177 C GLN A 13 -7.929 -0.592 -7.996 1.00 10.00 C ATOM 178 O GLN A 13 -7.363 -1.604 -8.401 1.00 10.00 O ATOM 179 CB GLN A 13 -10.043 -1.039 -6.848 1.00 10.00 C ATOM 180 CG GLN A 13 -10.769 -1.361 -5.545 1.00 10.00 C ATOM 181 CD GLN A 13 -12.139 -1.980 -5.803 1.00 10.00 C ATOM 182 OE1 GLN A 13 -12.646 -2.644 -4.875 1.00 10.00 O ATOM 183 NE2 GLN A 13 -12.658 -1.777 -6.923 1.00 10.00 N ATOM 0 H GLN A 13 -9.531 1.247 -5.971 1.00 10.00 H new ATOM 0 HA GLN A 13 -8.078 -1.156 -5.913 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -10.608 -0.284 -7.394 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -10.018 -1.932 -7.473 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -10.165 -2.047 -4.951 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -10.886 -0.450 -4.958 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -12.165 -1.219 -7.620 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -13.574 -2.170 -7.139 1.00 10.00 H new ATOM 190 N LYS A 14 -8.090 0.490 -8.749 1.00 10.00 N ATOM 191 CA LYS A 14 -7.660 0.613 -10.123 1.00 10.00 C ATOM 192 C LYS A 14 -6.136 0.749 -10.149 1.00 10.00 C ATOM 193 O LYS A 14 -5.456 0.235 -11.036 1.00 10.00 O ATOM 194 CB LYS A 14 -8.370 1.857 -10.665 1.00 10.00 C ATOM 195 CG LYS A 14 -8.677 1.891 -12.162 1.00 10.00 C ATOM 196 CD LYS A 14 -9.764 0.885 -12.597 1.00 10.00 C ATOM 197 CE LYS A 14 -11.070 0.891 -11.776 1.00 10.00 C ATOM 198 NZ LYS A 14 -11.608 2.245 -11.528 1.00 10.00 N ATOM 0 H LYS A 14 -8.542 1.335 -8.399 1.00 10.00 H new ATOM 0 HA LYS A 14 -7.909 -0.252 -10.738 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -9.310 1.971 -10.125 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -7.757 2.726 -10.426 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -8.995 2.897 -12.436 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -7.761 1.685 -12.716 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -10.015 1.082 -13.639 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -9.338 -0.118 -12.555 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -11.822 0.301 -12.301 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -10.890 0.400 -10.820 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -12.634 2.187 -11.369 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -11.150 2.652 -10.688 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -11.419 2.850 -12.353 1.00 10.00 H new ATOM 212 N HIS A 15 -5.590 1.456 -9.159 1.00 10.00 N ATOM 213 CA HIS A 15 -4.175 1.423 -8.875 1.00 10.00 C ATOM 214 C HIS A 15 -3.795 -0.004 -8.501 1.00 10.00 C ATOM 215 O HIS A 15 -4.551 -0.704 -7.843 1.00 10.00 O ATOM 216 CB HIS A 15 -3.825 2.430 -7.782 1.00 10.00 C ATOM 217 CG HIS A 15 -3.531 3.788 -8.350 1.00 10.00 C ATOM 218 ND1 HIS A 15 -2.309 4.179 -8.832 1.00 10.00 N ATOM 219 CD2 HIS A 15 -4.425 4.787 -8.614 1.00 10.00 C ATOM 220 CE1 HIS A 15 -2.451 5.396 -9.377 1.00 10.00 C ATOM 221 NE2 HIS A 15 -3.734 5.789 -9.312 1.00 10.00 N ATOM 0 H HIS A 15 -6.125 2.064 -8.538 1.00 10.00 H new ATOM 0 HA HIS A 15 -3.599 1.715 -9.753 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -4.652 2.502 -7.076 1.00 10.00 H new ATOM 0 HB3 HIS A 15 -2.959 2.074 -7.223 1.00 10.00 H new ATOM 0 HD1 HIS A 15 -1.445 3.640 -8.785 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -5.469 4.802 -8.337 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -1.649 5.977 -9.807 1.00 10.00 H new ATOM 229 N ASN A 16 -2.632 -0.423 -8.996 1.00 10.00 N ATOM 230 CA ASN A 16 -2.138 -1.793 -9.110 1.00 10.00 C ATOM 231 C ASN A 16 -2.168 -2.290 -10.547 1.00 10.00 C ATOM 232 O ASN A 16 -1.393 -3.171 -10.932 1.00 10.00 O ATOM 233 CB ASN A 16 -2.775 -2.790 -8.141 1.00 10.00 C ATOM 234 CG ASN A 16 -1.967 -4.083 -8.137 1.00 10.00 C ATOM 235 OD1 ASN A 16 -2.443 -5.147 -8.520 1.00 10.00 O ATOM 236 ND2 ASN A 16 -0.695 -3.998 -7.759 1.00 10.00 N ATOM 0 H ASN A 16 -1.953 0.246 -9.359 1.00 10.00 H new ATOM 0 HA ASN A 16 -1.096 -1.738 -8.796 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -2.809 -2.367 -7.137 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -3.804 -2.993 -8.436 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -0.099 -4.825 -7.785 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -0.315 -3.105 -7.443 1.00 10.00 H new ATOM 290 N SER A 20 0.191 2.763 -11.131 1.00 10.00 N ATOM 291 CA SER A 20 1.036 2.676 -9.953 1.00 10.00 C ATOM 292 C SER A 20 0.253 1.791 -8.981 1.00 10.00 C ATOM 293 O SER A 20 -0.977 1.780 -9.043 1.00 10.00 O ATOM 294 CB SER A 20 1.357 4.055 -9.353 1.00 10.00 C ATOM 295 OG SER A 20 2.269 4.779 -10.155 1.00 10.00 O ATOM 0 HA SER A 20 2.014 2.258 -10.190 1.00 10.00 H new ATOM 0 HB2 SER A 20 0.436 4.627 -9.244 1.00 10.00 H new ATOM 0 HB3 SER A 20 1.773 3.928 -8.354 1.00 10.00 H new ATOM 0 HG SER A 20 2.447 5.650 -9.743 1.00 10.00 H new ATOM 301 N THR A 21 0.942 1.017 -8.151 1.00 10.00 N ATOM 302 CA THR A 21 0.376 0.095 -7.172 1.00 10.00 C ATOM 303 C THR A 21 0.137 0.784 -5.834 1.00 10.00 C ATOM 304 O THR A 21 1.081 1.273 -5.222 1.00 10.00 O ATOM 305 CB THR A 21 1.314 -1.109 -6.984 1.00 10.00 C ATOM 306 OG1 THR A 21 1.191 -1.963 -8.103 1.00 10.00 O ATOM 307 CG2 THR A 21 0.955 -1.909 -5.727 1.00 10.00 C ATOM 0 H THR A 21 1.962 1.015 -8.142 1.00 10.00 H new ATOM 0 HA THR A 21 -0.587 -0.250 -7.549 1.00 10.00 H new ATOM 0 HB THR A 21 2.332 -0.734 -6.881 1.00 10.00 H new ATOM 0 HG1 THR A 21 1.937 -1.805 -8.718 1.00 10.00 H new ATOM 0 HG21 THR A 21 1.638 -2.752 -5.625 1.00 10.00 H new ATOM 0 HG22 THR A 21 1.039 -1.266 -4.851 1.00 10.00 H new ATOM 0 HG23 THR A 21 -0.067 -2.278 -5.810 1.00 10.00 H new ATOM 315 N TRP A 22 -1.115 0.767 -5.367 1.00 10.00 N ATOM 316 CA TRP A 22 -1.556 1.379 -4.119 1.00 10.00 C ATOM 317 C TRP A 22 -2.006 0.317 -3.120 1.00 10.00 C ATOM 318 O TRP A 22 -2.353 -0.792 -3.523 1.00 10.00 O ATOM 319 CB TRP A 22 -2.711 2.332 -4.444 1.00 10.00 C ATOM 320 CG TRP A 22 -2.305 3.647 -5.057 1.00 10.00 C ATOM 321 CD1 TRP A 22 -1.073 3.967 -5.506 1.00 10.00 C ATOM 322 CD2 TRP A 22 -3.123 4.816 -5.352 1.00 10.00 C ATOM 323 NE1 TRP A 22 -1.069 5.219 -6.067 1.00 10.00 N ATOM 324 CE2 TRP A 22 -2.327 5.790 -6.029 1.00 10.00 C ATOM 325 CE3 TRP A 22 -4.468 5.149 -5.112 1.00 10.00 C ATOM 326 CZ2 TRP A 22 -2.861 7.009 -6.478 1.00 10.00 C ATOM 327 CZ3 TRP A 22 -5.032 6.332 -5.613 1.00 10.00 C ATOM 328 CH2 TRP A 22 -4.237 7.249 -6.321 1.00 10.00 C ATOM 0 H TRP A 22 -1.875 0.308 -5.870 1.00 10.00 H new ATOM 0 HA TRP A 22 -0.731 1.925 -3.662 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -3.396 1.828 -5.126 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -3.264 2.533 -3.527 1.00 10.00 H new ATOM 0 HD1 TRP A 22 -0.208 3.325 -5.433 1.00 10.00 H new ATOM 0 HE1 TRP A 22 -0.244 5.670 -6.461 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -5.081 4.478 -4.528 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 -2.224 7.751 -6.937 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -6.080 6.538 -5.454 1.00 10.00 H new ATOM 0 HH2 TRP A 22 -4.683 8.137 -6.744 1.00 10.00 H new ATOM 339 N LEU A 23 -2.052 0.669 -1.831 1.00 10.00 N ATOM 340 CA LEU A 23 -2.843 -0.039 -0.830 1.00 10.00 C ATOM 341 C LEU A 23 -3.354 0.935 0.223 1.00 10.00 C ATOM 342 O LEU A 23 -2.848 2.057 0.300 1.00 10.00 O ATOM 343 CB LEU A 23 -2.103 -1.218 -0.172 1.00 10.00 C ATOM 344 CG LEU A 23 -0.585 -1.343 -0.324 1.00 10.00 C ATOM 345 CD1 LEU A 23 0.113 -0.447 0.695 1.00 10.00 C ATOM 346 CD2 LEU A 23 -0.221 -2.816 -0.087 1.00 10.00 C ATOM 0 H LEU A 23 -1.534 1.463 -1.453 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.686 -0.480 -1.361 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -2.321 -1.184 0.895 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.545 -2.136 -0.559 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.264 -1.030 -1.318 1.00 10.00 H new ATOM 0 HD11 LEU A 23 1.193 -0.540 0.582 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -0.181 0.590 0.530 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -0.174 -0.749 1.702 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.857 -2.945 -0.187 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -0.530 -3.110 0.916 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.731 -3.440 -0.821 1.00 10.00 H new ATOM 358 N ILE A 24 -4.340 0.494 1.018 1.00 10.00 N ATOM 359 CA ILE A 24 -4.847 1.233 2.175 1.00 10.00 C ATOM 360 C ILE A 24 -4.342 0.594 3.462 1.00 10.00 C ATOM 361 O ILE A 24 -4.540 -0.600 3.667 1.00 10.00 O ATOM 362 CB ILE A 24 -6.391 1.354 2.204 1.00 10.00 C ATOM 363 CG1 ILE A 24 -7.022 1.534 0.819 1.00 10.00 C ATOM 364 CG2 ILE A 24 -6.828 2.479 3.154 1.00 10.00 C ATOM 365 CD1 ILE A 24 -8.550 1.435 0.843 1.00 10.00 C ATOM 0 H ILE A 24 -4.811 -0.398 0.870 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.464 2.250 2.087 1.00 10.00 H new ATOM 0 HB ILE A 24 -6.762 0.400 2.579 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.732 2.505 0.417 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -6.624 0.777 0.143 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -7.916 2.548 3.160 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -6.472 2.263 4.161 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.406 3.425 2.815 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -8.939 1.571 -0.166 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -8.845 0.455 1.217 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -8.955 2.209 1.495 1.00 10.00 H new ATOM 377 N LEU A 25 -3.685 1.393 4.308 1.00 10.00 N ATOM 378 CA LEU A 25 -3.142 0.994 5.601 1.00 10.00 C ATOM 379 C LEU A 25 -3.584 2.044 6.628 1.00 10.00 C ATOM 380 O LEU A 25 -2.948 3.086 6.781 1.00 10.00 O ATOM 381 CB LEU A 25 -1.609 0.881 5.537 1.00 10.00 C ATOM 382 CG LEU A 25 -1.023 -0.494 5.185 1.00 10.00 C ATOM 383 CD1 LEU A 25 -1.495 -1.040 3.839 1.00 10.00 C ATOM 384 CD2 LEU A 25 0.505 -0.387 5.142 1.00 10.00 C ATOM 0 H LEU A 25 -3.512 2.376 4.098 1.00 10.00 H new ATOM 0 HA LEU A 25 -3.515 0.011 5.889 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.247 1.601 4.803 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.207 1.183 6.504 1.00 10.00 H new ATOM 0 HG LEU A 25 -1.370 -1.182 5.955 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -1.038 -2.014 3.661 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -2.580 -1.144 3.849 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.204 -0.352 3.045 1.00 10.00 H new ATOM 0 HD21 LEU A 25 0.931 -1.359 4.893 1.00 10.00 H new ATOM 0 HD22 LEU A 25 0.798 0.342 4.386 1.00 10.00 H new ATOM 0 HD23 LEU A 25 0.875 -0.068 6.116 1.00 10.00 H new ATOM 396 N HIS A 26 -4.680 1.780 7.335 1.00 10.00 N ATOM 397 CA HIS A 26 -5.227 2.624 8.393 1.00 10.00 C ATOM 398 C HIS A 26 -5.985 3.821 7.817 1.00 10.00 C ATOM 399 O HIS A 26 -5.727 4.969 8.177 1.00 10.00 O ATOM 400 CB HIS A 26 -4.171 3.030 9.448 1.00 10.00 C ATOM 401 CG HIS A 26 -3.205 1.945 9.879 1.00 10.00 C ATOM 402 ND1 HIS A 26 -3.426 0.979 10.836 1.00 10.00 N ATOM 403 CD2 HIS A 26 -1.915 1.791 9.438 1.00 10.00 C ATOM 404 CE1 HIS A 26 -2.303 0.243 10.940 1.00 10.00 C ATOM 405 NE2 HIS A 26 -1.356 0.699 10.104 1.00 10.00 N ATOM 0 H HIS A 26 -5.234 0.938 7.180 1.00 10.00 H new ATOM 0 HA HIS A 26 -5.954 2.020 8.936 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -3.594 3.865 9.051 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -4.693 3.395 10.332 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -1.418 2.407 8.703 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -2.181 -0.599 11.605 1.00 10.00 H new ATOM 0 HE2 HIS A 26 -0.416 0.323 9.980 1.00 10.00 H new ATOM 413 N TYR A 27 -6.942 3.540 6.923 1.00 10.00 N ATOM 414 CA TYR A 27 -7.756 4.546 6.244 1.00 10.00 C ATOM 415 C TYR A 27 -6.873 5.657 5.671 1.00 10.00 C ATOM 416 O TYR A 27 -7.172 6.847 5.777 1.00 10.00 O ATOM 417 CB TYR A 27 -8.831 5.107 7.184 1.00 10.00 C ATOM 418 CG TYR A 27 -9.733 4.085 7.849 1.00 10.00 C ATOM 419 CD1 TYR A 27 -10.484 3.182 7.072 1.00 10.00 C ATOM 420 CD2 TYR A 27 -9.953 4.157 9.236 1.00 10.00 C ATOM 421 CE1 TYR A 27 -11.486 2.399 7.672 1.00 10.00 C ATOM 422 CE2 TYR A 27 -10.976 3.397 9.826 1.00 10.00 C ATOM 423 CZ TYR A 27 -11.745 2.520 9.047 1.00 10.00 C ATOM 424 OH TYR A 27 -12.973 2.165 9.523 1.00 10.00 O ATOM 0 H TYR A 27 -7.174 2.585 6.649 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.270 4.068 5.410 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -8.337 5.687 7.963 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -9.455 5.799 6.618 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -10.290 3.091 6.013 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -9.335 4.797 9.848 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -12.057 1.704 7.075 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -11.171 3.488 10.884 1.00 10.00 H new ATOM 0 HH TYR A 27 -13.001 2.304 10.493 1.00 10.00 H new ATOM 434 N LYS A 28 -5.746 5.263 5.088 1.00 10.00 N ATOM 435 CA LYS A 28 -4.784 6.154 4.460 1.00 10.00 C ATOM 436 C LYS A 28 -4.196 5.370 3.281 1.00 10.00 C ATOM 437 O LYS A 28 -4.246 4.143 3.339 1.00 10.00 O ATOM 438 CB LYS A 28 -3.769 6.570 5.540 1.00 10.00 C ATOM 439 CG LYS A 28 -2.995 7.856 5.237 1.00 10.00 C ATOM 440 CD LYS A 28 -3.857 9.121 5.346 1.00 10.00 C ATOM 441 CE LYS A 28 -4.489 9.343 6.735 1.00 10.00 C ATOM 442 NZ LYS A 28 -5.919 8.967 6.794 1.00 10.00 N ATOM 0 H LYS A 28 -5.470 4.282 5.039 1.00 10.00 H new ATOM 0 HA LYS A 28 -5.198 7.081 4.064 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -4.297 6.695 6.485 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -3.055 5.758 5.679 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -2.154 7.937 5.926 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -2.579 7.793 4.232 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -3.243 9.987 5.097 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -4.652 9.069 4.602 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -3.937 8.763 7.475 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -4.385 10.392 7.011 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -6.155 8.649 7.756 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -6.505 9.790 6.548 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -6.104 8.197 6.120 1.00 10.00 H new ATOM 456 N VAL A 29 -3.716 6.024 2.214 1.00 10.00 N ATOM 457 CA VAL A 29 -3.306 5.369 0.967 1.00 10.00 C ATOM 458 C VAL A 29 -1.806 5.519 0.715 1.00 10.00 C ATOM 459 O VAL A 29 -1.229 6.585 0.945 1.00 10.00 O ATOM 460 CB VAL A 29 -4.112 5.883 -0.234 1.00 10.00 C ATOM 461 CG1 VAL A 29 -3.636 5.266 -1.552 1.00 10.00 C ATOM 462 CG2 VAL A 29 -5.580 5.493 -0.115 1.00 10.00 C ATOM 0 H VAL A 29 -3.601 7.037 2.194 1.00 10.00 H new ATOM 0 HA VAL A 29 -3.520 4.307 1.084 1.00 10.00 H new ATOM 0 HB VAL A 29 -3.973 6.964 -0.234 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -4.234 5.658 -2.374 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -2.588 5.517 -1.714 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -3.747 4.183 -1.507 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -6.128 5.870 -0.979 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -5.666 4.407 -0.076 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -5.998 5.923 0.795 1.00 10.00 H new ATOM 472 N TYR A 30 -1.211 4.424 0.232 1.00 10.00 N ATOM 473 CA TYR A 30 0.212 4.132 0.224 1.00 10.00 C ATOM 474 C TYR A 30 0.603 3.664 -1.172 1.00 10.00 C ATOM 475 O TYR A 30 0.089 2.627 -1.590 1.00 10.00 O ATOM 476 CB TYR A 30 0.405 2.979 1.216 1.00 10.00 C ATOM 477 CG TYR A 30 0.179 3.400 2.650 1.00 10.00 C ATOM 478 CD1 TYR A 30 -1.141 3.492 3.108 1.00 10.00 C ATOM 479 CD2 TYR A 30 1.227 3.863 3.467 1.00 10.00 C ATOM 480 CE1 TYR A 30 -1.408 4.025 4.371 1.00 10.00 C ATOM 481 CE2 TYR A 30 0.949 4.337 4.765 1.00 10.00 C ATOM 482 CZ TYR A 30 -0.368 4.365 5.236 1.00 10.00 C ATOM 483 OH TYR A 30 -0.634 4.592 6.551 1.00 10.00 O ATOM 0 H TYR A 30 -1.755 3.672 -0.191 1.00 10.00 H new ATOM 0 HA TYR A 30 0.816 5.000 0.491 1.00 10.00 H new ATOM 0 HB2 TYR A 30 -0.283 2.171 0.966 1.00 10.00 H new ATOM 0 HB3 TYR A 30 1.415 2.582 1.113 1.00 10.00 H new ATOM 0 HD1 TYR A 30 -1.954 3.150 2.484 1.00 10.00 H new ATOM 0 HD2 TYR A 30 2.243 3.855 3.100 1.00 10.00 H new ATOM 0 HE1 TYR A 30 -2.431 4.176 4.681 1.00 10.00 H new ATOM 0 HE2 TYR A 30 1.755 4.679 5.397 1.00 10.00 H new ATOM 0 HH TYR A 30 -1.460 4.129 6.802 1.00 10.00 H new ATOM 493 N ASP A 31 1.493 4.380 -1.875 1.00 10.00 N ATOM 494 CA ASP A 31 2.013 3.902 -3.159 1.00 10.00 C ATOM 495 C ASP A 31 3.270 3.090 -2.919 1.00 10.00 C ATOM 496 O ASP A 31 4.166 3.564 -2.222 1.00 10.00 O ATOM 497 CB ASP A 31 2.400 5.036 -4.105 1.00 10.00 C ATOM 498 CG ASP A 31 2.416 4.548 -5.547 1.00 10.00 C ATOM 499 OD1 ASP A 31 3.200 3.609 -5.839 1.00 10.00 O ATOM 500 OD2 ASP A 31 1.607 5.098 -6.329 1.00 10.00 O ATOM 0 H ASP A 31 1.863 5.283 -1.578 1.00 10.00 H new ATOM 0 HA ASP A 31 1.214 3.317 -3.614 1.00 10.00 H new ATOM 0 HB2 ASP A 31 1.694 5.860 -4.002 1.00 10.00 H new ATOM 0 HB3 ASP A 31 3.383 5.423 -3.835 1.00 10.00 H new ATOM 505 N LEU A 32 3.353 1.900 -3.506 1.00 10.00 N ATOM 506 CA LEU A 32 4.489 1.017 -3.324 1.00 10.00 C ATOM 507 C LEU A 32 5.186 0.643 -4.628 1.00 10.00 C ATOM 508 O LEU A 32 6.016 -0.256 -4.609 1.00 10.00 O ATOM 509 CB LEU A 32 4.029 -0.285 -2.673 1.00 10.00 C ATOM 510 CG LEU A 32 3.266 -0.147 -1.356 1.00 10.00 C ATOM 511 CD1 LEU A 32 3.107 -1.517 -0.709 1.00 10.00 C ATOM 512 CD2 LEU A 32 3.890 0.739 -0.286 1.00 10.00 C ATOM 0 H LEU A 32 2.631 1.525 -4.121 1.00 10.00 H new ATOM 0 HA LEU A 32 5.195 1.567 -2.701 1.00 10.00 H new ATOM 0 HB2 LEU A 32 3.395 -0.818 -3.382 1.00 10.00 H new ATOM 0 HB3 LEU A 32 4.905 -0.909 -2.498 1.00 10.00 H new ATOM 0 HG LEU A 32 2.333 0.326 -1.664 1.00 10.00 H new ATOM 0 HD11 LEU A 32 2.563 -1.415 0.230 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.554 -2.174 -1.380 1.00 10.00 H new ATOM 0 HD13 LEU A 32 4.091 -1.943 -0.513 1.00 10.00 H new ATOM 0 HD21 LEU A 32 3.249 0.751 0.596 1.00 10.00 H new ATOM 0 HD22 LEU A 32 4.871 0.348 -0.017 1.00 10.00 H new ATOM 0 HD23 LEU A 32 3.997 1.753 -0.670 1.00 10.00 H new ATOM 524 N THR A 33 4.864 1.274 -5.752 1.00 10.00 N ATOM 525 CA THR A 33 5.318 0.821 -7.074 1.00 10.00 C ATOM 526 C THR A 33 6.830 0.564 -7.157 1.00 10.00 C ATOM 527 O THR A 33 7.234 -0.443 -7.728 1.00 10.00 O ATOM 528 CB THR A 33 4.839 1.809 -8.146 1.00 10.00 C ATOM 529 OG1 THR A 33 3.465 2.054 -7.947 1.00 10.00 O ATOM 530 CG2 THR A 33 5.012 1.251 -9.562 1.00 10.00 C ATOM 0 H THR A 33 4.283 2.112 -5.779 1.00 10.00 H new ATOM 0 HA THR A 33 4.867 -0.154 -7.257 1.00 10.00 H new ATOM 0 HB THR A 33 5.436 2.716 -8.054 1.00 10.00 H new ATOM 0 HG1 THR A 33 3.353 2.836 -7.367 1.00 10.00 H new ATOM 0 HG21 THR A 33 4.660 1.984 -10.288 1.00 10.00 H new ATOM 0 HG22 THR A 33 6.066 1.038 -9.743 1.00 10.00 H new ATOM 0 HG23 THR A 33 4.434 0.333 -9.664 1.00 10.00 H new ATOM 538 N LYS A 34 7.671 1.423 -6.572 1.00 10.00 N ATOM 539 CA LYS A 34 9.100 1.116 -6.480 1.00 10.00 C ATOM 540 C LYS A 34 9.341 -0.045 -5.504 1.00 10.00 C ATOM 541 O LYS A 34 10.135 -0.948 -5.747 1.00 10.00 O ATOM 542 CB LYS A 34 9.908 2.374 -6.103 1.00 10.00 C ATOM 543 CG LYS A 34 9.677 2.888 -4.671 1.00 10.00 C ATOM 544 CD LYS A 34 10.525 4.137 -4.368 1.00 10.00 C ATOM 545 CE LYS A 34 11.285 3.984 -3.040 1.00 10.00 C ATOM 546 NZ LYS A 34 12.379 3.000 -3.155 1.00 10.00 N ATOM 0 H LYS A 34 7.395 2.316 -6.164 1.00 10.00 H new ATOM 0 HA LYS A 34 9.453 0.793 -7.459 1.00 10.00 H new ATOM 0 HB2 LYS A 34 10.969 2.158 -6.229 1.00 10.00 H new ATOM 0 HB3 LYS A 34 9.660 3.171 -6.804 1.00 10.00 H new ATOM 0 HG2 LYS A 34 8.621 3.124 -4.535 1.00 10.00 H new ATOM 0 HG3 LYS A 34 9.922 2.101 -3.958 1.00 10.00 H new ATOM 0 HD2 LYS A 34 11.234 4.304 -5.179 1.00 10.00 H new ATOM 0 HD3 LYS A 34 9.881 5.015 -4.322 1.00 10.00 H new ATOM 0 HE2 LYS A 34 11.692 4.949 -2.739 1.00 10.00 H new ATOM 0 HE3 LYS A 34 10.594 3.672 -2.257 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 12.636 2.654 -2.208 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 12.067 2.201 -3.743 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 13.207 3.451 -3.595 1.00 10.00 H new ATOM 560 N PHE A 35 8.623 -0.020 -4.381 1.00 10.00 N ATOM 561 CA PHE A 35 8.864 -0.871 -3.232 1.00 10.00 C ATOM 562 C PHE A 35 8.549 -2.322 -3.542 1.00 10.00 C ATOM 563 O PHE A 35 9.125 -3.219 -2.942 1.00 10.00 O ATOM 564 CB PHE A 35 8.055 -0.378 -2.025 1.00 10.00 C ATOM 565 CG PHE A 35 8.640 -0.857 -0.718 1.00 10.00 C ATOM 566 CD1 PHE A 35 9.933 -0.447 -0.340 1.00 10.00 C ATOM 567 CD2 PHE A 35 7.967 -1.829 0.036 1.00 10.00 C ATOM 568 CE1 PHE A 35 10.563 -1.029 0.771 1.00 10.00 C ATOM 569 CE2 PHE A 35 8.603 -2.417 1.136 1.00 10.00 C ATOM 570 CZ PHE A 35 9.906 -2.035 1.499 1.00 10.00 C ATOM 0 H PHE A 35 7.836 0.615 -4.249 1.00 10.00 H new ATOM 0 HA PHE A 35 9.924 -0.814 -2.985 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.023 0.712 -2.030 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.026 -0.727 -2.111 1.00 10.00 H new ATOM 0 HD1 PHE A 35 10.442 0.318 -0.907 1.00 10.00 H new ATOM 0 HD2 PHE A 35 6.962 -2.123 -0.231 1.00 10.00 H new ATOM 0 HE1 PHE A 35 11.550 -0.704 1.065 1.00 10.00 H new ATOM 0 HE2 PHE A 35 8.087 -3.172 1.711 1.00 10.00 H new ATOM 0 HZ PHE A 35 10.399 -2.512 2.333 1.00 10.00 H new ATOM 580 N LEU A 36 7.662 -2.550 -4.508 1.00 10.00 N ATOM 581 CA LEU A 36 7.507 -3.823 -5.192 1.00 10.00 C ATOM 582 C LEU A 36 8.851 -4.545 -5.380 1.00 10.00 C ATOM 583 O LEU A 36 8.946 -5.740 -5.106 1.00 10.00 O ATOM 584 CB LEU A 36 6.840 -3.555 -6.545 1.00 10.00 C ATOM 585 CG LEU A 36 5.450 -2.925 -6.466 1.00 10.00 C ATOM 586 CD1 LEU A 36 4.754 -3.155 -7.807 1.00 10.00 C ATOM 587 CD2 LEU A 36 4.576 -3.445 -5.323 1.00 10.00 C ATOM 0 H LEU A 36 7.017 -1.834 -4.842 1.00 10.00 H new ATOM 0 HA LEU A 36 6.887 -4.483 -4.585 1.00 10.00 H new ATOM 0 HB2 LEU A 36 7.487 -2.900 -7.129 1.00 10.00 H new ATOM 0 HB3 LEU A 36 6.765 -4.496 -7.089 1.00 10.00 H new ATOM 0 HG LEU A 36 5.587 -1.865 -6.252 1.00 10.00 H new ATOM 0 HD11 LEU A 36 3.757 -2.715 -7.780 1.00 10.00 H new ATOM 0 HD12 LEU A 36 5.335 -2.689 -8.603 1.00 10.00 H new ATOM 0 HD13 LEU A 36 4.673 -4.225 -7.996 1.00 10.00 H new ATOM 0 HD21 LEU A 36 3.609 -2.942 -5.346 1.00 10.00 H new ATOM 0 HD22 LEU A 36 4.429 -4.519 -5.437 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.066 -3.245 -4.370 1.00 10.00 H new ATOM 599 N GLU A 37 9.888 -3.817 -5.811 1.00 10.00 N ATOM 600 CA GLU A 37 11.240 -4.340 -5.943 1.00 10.00 C ATOM 601 C GLU A 37 11.856 -4.648 -4.572 1.00 10.00 C ATOM 602 O GLU A 37 12.299 -5.763 -4.310 1.00 10.00 O ATOM 603 CB GLU A 37 12.105 -3.313 -6.689 1.00 10.00 C ATOM 604 CG GLU A 37 11.614 -3.062 -8.122 1.00 10.00 C ATOM 605 CD GLU A 37 12.537 -2.094 -8.854 1.00 10.00 C ATOM 606 OE1 GLU A 37 13.725 -2.452 -9.003 1.00 10.00 O ATOM 607 OE2 GLU A 37 12.042 -1.015 -9.249 1.00 10.00 O ATOM 0 H GLU A 37 9.804 -2.837 -6.080 1.00 10.00 H new ATOM 0 HA GLU A 37 11.200 -5.273 -6.505 1.00 10.00 H new ATOM 0 HB2 GLU A 37 12.104 -2.373 -6.138 1.00 10.00 H new ATOM 0 HB3 GLU A 37 13.137 -3.664 -6.718 1.00 10.00 H new ATOM 0 HG2 GLU A 37 11.567 -4.006 -8.665 1.00 10.00 H new ATOM 0 HG3 GLU A 37 10.602 -2.657 -8.098 1.00 10.00 H new ATOM 614 N GLU A 38 11.936 -3.625 -3.718 1.00 10.00 N ATOM 615 CA GLU A 38 12.664 -3.649 -2.454 1.00 10.00 C ATOM 616 C GLU A 38 12.093 -4.663 -1.454 1.00 10.00 C ATOM 617 O GLU A 38 12.827 -5.200 -0.626 1.00 10.00 O ATOM 618 CB GLU A 38 12.612 -2.239 -1.852 1.00 10.00 C ATOM 619 CG GLU A 38 13.382 -1.213 -2.700 1.00 10.00 C ATOM 620 CD GLU A 38 12.755 0.169 -2.638 1.00 10.00 C ATOM 621 OE1 GLU A 38 13.070 0.963 -1.723 1.00 10.00 O ATOM 622 OE2 GLU A 38 11.973 0.502 -3.553 1.00 10.00 O ATOM 0 H GLU A 38 11.480 -2.730 -3.896 1.00 10.00 H new ATOM 0 HA GLU A 38 13.689 -3.960 -2.655 1.00 10.00 H new ATOM 0 HB2 GLU A 38 11.573 -1.924 -1.760 1.00 10.00 H new ATOM 0 HB3 GLU A 38 13.029 -2.261 -0.845 1.00 10.00 H new ATOM 0 HG2 GLU A 38 14.414 -1.158 -2.352 1.00 10.00 H new ATOM 0 HG3 GLU A 38 13.412 -1.550 -3.736 1.00 10.00 H new ATOM 629 N HIS A 39 10.774 -4.859 -1.470 1.00 10.00 N ATOM 630 CA HIS A 39 10.032 -5.571 -0.445 1.00 10.00 C ATOM 631 C HIS A 39 10.572 -6.992 -0.235 1.00 10.00 C ATOM 632 O HIS A 39 10.461 -7.802 -1.149 1.00 10.00 O ATOM 633 CB HIS A 39 8.547 -5.620 -0.846 1.00 10.00 C ATOM 634 CG HIS A 39 7.673 -6.250 0.210 1.00 10.00 C ATOM 635 ND1 HIS A 39 6.607 -7.107 0.015 1.00 10.00 N ATOM 636 CD2 HIS A 39 7.705 -5.923 1.538 1.00 10.00 C ATOM 637 CE1 HIS A 39 5.991 -7.227 1.206 1.00 10.00 C ATOM 638 NE2 HIS A 39 6.628 -6.533 2.172 1.00 10.00 N ATOM 0 H HIS A 39 10.180 -4.513 -2.223 1.00 10.00 H new ATOM 0 HA HIS A 39 10.148 -5.039 0.499 1.00 10.00 H new ATOM 0 HB2 HIS A 39 8.196 -4.607 -1.044 1.00 10.00 H new ATOM 0 HB3 HIS A 39 8.445 -6.180 -1.776 1.00 10.00 H new ATOM 0 HD1 HIS A 39 6.339 -7.560 -0.859 1.00 10.00 H new ATOM 0 HD2 HIS A 39 8.444 -5.296 2.015 1.00 10.00 H new ATOM 0 HE1 HIS A 39 5.095 -7.808 1.369 1.00 10.00 H new ATOM 646 N PRO A 40 11.068 -7.355 0.963 1.00 10.00 N ATOM 647 CA PRO A 40 11.441 -8.729 1.282 1.00 10.00 C ATOM 648 C PRO A 40 10.303 -9.725 1.034 1.00 10.00 C ATOM 649 O PRO A 40 10.541 -10.831 0.561 1.00 10.00 O ATOM 650 CB PRO A 40 11.879 -8.710 2.748 1.00 10.00 C ATOM 651 CG PRO A 40 12.394 -7.282 2.915 1.00 10.00 C ATOM 652 CD PRO A 40 11.395 -6.485 2.080 1.00 10.00 C ATOM 0 HA PRO A 40 12.244 -9.072 0.630 1.00 10.00 H new ATOM 0 HB2 PRO A 40 11.050 -8.925 3.423 1.00 10.00 H new ATOM 0 HB3 PRO A 40 12.655 -9.448 2.950 1.00 10.00 H new ATOM 0 HG2 PRO A 40 12.395 -6.968 3.959 1.00 10.00 H new ATOM 0 HG3 PRO A 40 13.414 -7.170 2.547 1.00 10.00 H new ATOM 0 HD2 PRO A 40 10.506 -6.234 2.659 1.00 10.00 H new ATOM 0 HD3 PRO A 40 11.827 -5.545 1.736 1.00 10.00 H new ATOM 660 N GLY A 41 9.059 -9.329 1.331 1.00 10.00 N ATOM 661 CA GLY A 41 7.879 -10.113 0.986 1.00 10.00 C ATOM 662 C GLY A 41 7.774 -10.369 -0.525 1.00 10.00 C ATOM 663 O GLY A 41 7.210 -11.379 -0.931 1.00 10.00 O ATOM 0 H GLY A 41 8.848 -8.457 1.816 1.00 10.00 H new ATOM 0 HA2 GLY A 41 7.912 -11.067 1.513 1.00 10.00 H new ATOM 0 HA3 GLY A 41 6.985 -9.591 1.327 1.00 10.00 H new ATOM 667 N GLY A 42 8.279 -9.451 -1.359 1.00 10.00 N ATOM 668 CA GLY A 42 8.139 -9.484 -2.810 1.00 10.00 C ATOM 669 C GLY A 42 6.838 -8.825 -3.252 1.00 10.00 C ATOM 670 O GLY A 42 5.982 -8.498 -2.426 1.00 10.00 O ATOM 0 H GLY A 42 8.810 -8.645 -1.028 1.00 10.00 H new ATOM 0 HA2 GLY A 42 8.984 -8.973 -3.271 1.00 10.00 H new ATOM 0 HA3 GLY A 42 8.163 -10.517 -3.157 1.00 10.00 H new ATOM 674 N GLU A 43 6.715 -8.601 -4.565 1.00 10.00 N ATOM 675 CA GLU A 43 5.557 -7.958 -5.159 1.00 10.00 C ATOM 676 C GLU A 43 4.333 -8.867 -5.064 1.00 10.00 C ATOM 677 O GLU A 43 3.304 -8.414 -4.588 1.00 10.00 O ATOM 678 CB GLU A 43 5.874 -7.469 -6.584 1.00 10.00 C ATOM 679 CG GLU A 43 4.627 -7.036 -7.379 1.00 10.00 C ATOM 680 CD GLU A 43 4.956 -6.559 -8.791 1.00 10.00 C ATOM 681 OE1 GLU A 43 6.155 -6.410 -9.095 1.00 10.00 O ATOM 682 OE2 GLU A 43 3.981 -6.329 -9.545 1.00 10.00 O ATOM 0 H GLU A 43 7.428 -8.867 -5.244 1.00 10.00 H new ATOM 0 HA GLU A 43 5.305 -7.061 -4.593 1.00 10.00 H new ATOM 0 HB2 GLU A 43 6.567 -6.630 -6.525 1.00 10.00 H new ATOM 0 HB3 GLU A 43 6.383 -8.265 -7.128 1.00 10.00 H new ATOM 0 HG2 GLU A 43 3.931 -7.873 -7.437 1.00 10.00 H new ATOM 0 HG3 GLU A 43 4.119 -6.236 -6.840 1.00 10.00 H new ATOM 689 N GLU A 44 4.410 -10.131 -5.490 1.00 10.00 N ATOM 690 CA GLU A 44 3.250 -11.024 -5.582 1.00 10.00 C ATOM 691 C GLU A 44 2.331 -10.943 -4.350 1.00 10.00 C ATOM 692 O GLU A 44 1.149 -10.611 -4.457 1.00 10.00 O ATOM 693 CB GLU A 44 3.728 -12.461 -5.821 1.00 10.00 C ATOM 694 CG GLU A 44 4.550 -12.591 -7.111 1.00 10.00 C ATOM 695 CD GLU A 44 4.886 -14.050 -7.391 1.00 10.00 C ATOM 696 OE1 GLU A 44 5.501 -14.663 -6.494 1.00 10.00 O ATOM 697 OE2 GLU A 44 4.514 -14.520 -8.487 1.00 10.00 O ATOM 0 H GLU A 44 5.284 -10.567 -5.783 1.00 10.00 H new ATOM 0 HA GLU A 44 2.646 -10.694 -6.427 1.00 10.00 H new ATOM 0 HB2 GLU A 44 4.331 -12.787 -4.974 1.00 10.00 H new ATOM 0 HB3 GLU A 44 2.865 -13.125 -5.873 1.00 10.00 H new ATOM 0 HG2 GLU A 44 3.990 -12.175 -7.948 1.00 10.00 H new ATOM 0 HG3 GLU A 44 5.469 -12.012 -7.022 1.00 10.00 H new ATOM 704 N VAL A 45 2.900 -11.198 -3.168 1.00 10.00 N ATOM 705 CA VAL A 45 2.184 -11.170 -1.891 1.00 10.00 C ATOM 706 C VAL A 45 1.541 -9.801 -1.669 1.00 10.00 C ATOM 707 O VAL A 45 0.442 -9.682 -1.140 1.00 10.00 O ATOM 708 CB VAL A 45 3.116 -11.547 -0.706 1.00 10.00 C ATOM 709 CG1 VAL A 45 4.283 -12.441 -1.133 1.00 10.00 C ATOM 710 CG2 VAL A 45 3.752 -10.356 0.035 1.00 10.00 C ATOM 0 H VAL A 45 3.888 -11.434 -3.071 1.00 10.00 H new ATOM 0 HA VAL A 45 1.394 -11.920 -1.933 1.00 10.00 H new ATOM 0 HB VAL A 45 2.428 -12.063 -0.036 1.00 10.00 H new ATOM 0 HG11 VAL A 45 4.901 -12.672 -0.265 1.00 10.00 H new ATOM 0 HG12 VAL A 45 3.895 -13.366 -1.560 1.00 10.00 H new ATOM 0 HG13 VAL A 45 4.885 -11.922 -1.879 1.00 10.00 H new ATOM 0 HG21 VAL A 45 4.383 -10.725 0.843 1.00 10.00 H new ATOM 0 HG22 VAL A 45 4.357 -9.775 -0.661 1.00 10.00 H new ATOM 0 HG23 VAL A 45 2.967 -9.723 0.448 1.00 10.00 H new ATOM 720 N LEU A 46 2.259 -8.753 -2.064 1.00 10.00 N ATOM 721 CA LEU A 46 1.826 -7.377 -1.955 1.00 10.00 C ATOM 722 C LEU A 46 0.661 -7.161 -2.927 1.00 10.00 C ATOM 723 O LEU A 46 -0.325 -6.513 -2.592 1.00 10.00 O ATOM 724 CB LEU A 46 3.058 -6.504 -2.248 1.00 10.00 C ATOM 725 CG LEU A 46 3.116 -5.097 -1.649 1.00 10.00 C ATOM 726 CD1 LEU A 46 2.845 -5.092 -0.142 1.00 10.00 C ATOM 727 CD2 LEU A 46 4.544 -4.590 -1.904 1.00 10.00 C ATOM 0 H LEU A 46 3.185 -8.849 -2.480 1.00 10.00 H new ATOM 0 HA LEU A 46 1.452 -7.110 -0.966 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.938 -7.047 -1.904 1.00 10.00 H new ATOM 0 HB3 LEU A 46 3.146 -6.407 -3.330 1.00 10.00 H new ATOM 0 HG LEU A 46 2.351 -4.469 -2.106 1.00 10.00 H new ATOM 0 HD11 LEU A 46 2.898 -4.070 0.234 1.00 10.00 H new ATOM 0 HD12 LEU A 46 1.852 -5.499 0.050 1.00 10.00 H new ATOM 0 HD13 LEU A 46 3.592 -5.704 0.364 1.00 10.00 H new ATOM 0 HD21 LEU A 46 4.651 -3.584 -1.498 1.00 10.00 H new ATOM 0 HD22 LEU A 46 5.258 -5.255 -1.419 1.00 10.00 H new ATOM 0 HD23 LEU A 46 4.737 -4.570 -2.977 1.00 10.00 H new ATOM 739 N ARG A 47 0.752 -7.753 -4.119 1.00 10.00 N ATOM 740 CA ARG A 47 -0.165 -7.589 -5.232 1.00 10.00 C ATOM 741 C ARG A 47 -1.530 -8.154 -4.872 1.00 10.00 C ATOM 742 O ARG A 47 -2.553 -7.518 -5.098 1.00 10.00 O ATOM 743 CB ARG A 47 0.402 -8.277 -6.486 1.00 10.00 C ATOM 744 CG ARG A 47 0.117 -7.394 -7.695 1.00 10.00 C ATOM 745 CD ARG A 47 0.615 -7.999 -9.012 1.00 10.00 C ATOM 746 NE ARG A 47 1.460 -7.035 -9.727 1.00 10.00 N ATOM 747 CZ ARG A 47 1.073 -5.874 -10.273 1.00 10.00 C ATOM 748 NH1 ARG A 47 -0.224 -5.559 -10.368 1.00 10.00 N ATOM 749 NH2 ARG A 47 2.022 -5.028 -10.675 1.00 10.00 N ATOM 0 H ARG A 47 1.514 -8.395 -4.339 1.00 10.00 H new ATOM 0 HA ARG A 47 -0.282 -6.527 -5.447 1.00 10.00 H new ATOM 0 HB2 ARG A 47 1.475 -8.436 -6.378 1.00 10.00 H new ATOM 0 HB3 ARG A 47 -0.054 -9.258 -6.618 1.00 10.00 H new ATOM 0 HG2 ARG A 47 -0.957 -7.220 -7.765 1.00 10.00 H new ATOM 0 HG3 ARG A 47 0.589 -6.422 -7.547 1.00 10.00 H new ATOM 0 HD2 ARG A 47 1.180 -8.910 -8.811 1.00 10.00 H new ATOM 0 HD3 ARG A 47 -0.234 -8.281 -9.635 1.00 10.00 H new ATOM 0 HE ARG A 47 2.447 -7.274 -9.818 1.00 10.00 H new ATOM 0 HH11 ARG A 47 -0.933 -6.206 -10.022 1.00 10.00 H new ATOM 0 HH12 ARG A 47 -0.504 -4.672 -10.786 1.00 10.00 H new ATOM 0 HH21 ARG A 47 3.005 -5.274 -10.562 1.00 10.00 H new ATOM 0 HH22 ARG A 47 1.764 -4.135 -11.095 1.00 10.00 H new ATOM 763 N GLU A 48 -1.508 -9.341 -4.265 1.00 10.00 N ATOM 764 CA GLU A 48 -2.653 -10.019 -3.673 1.00 10.00 C ATOM 765 C GLU A 48 -3.494 -9.085 -2.784 1.00 10.00 C ATOM 766 O GLU A 48 -4.680 -9.323 -2.568 1.00 10.00 O ATOM 767 CB GLU A 48 -2.070 -11.176 -2.854 1.00 10.00 C ATOM 768 CG GLU A 48 -3.095 -12.125 -2.213 1.00 10.00 C ATOM 769 CD GLU A 48 -3.912 -12.918 -3.229 1.00 10.00 C ATOM 770 OE1 GLU A 48 -3.436 -13.048 -4.377 1.00 10.00 O ATOM 771 OE2 GLU A 48 -4.990 -13.404 -2.825 1.00 10.00 O ATOM 0 H GLU A 48 -0.647 -9.879 -4.170 1.00 10.00 H new ATOM 0 HA GLU A 48 -3.335 -10.368 -4.448 1.00 10.00 H new ATOM 0 HB2 GLU A 48 -1.416 -11.761 -3.501 1.00 10.00 H new ATOM 0 HB3 GLU A 48 -1.446 -10.759 -2.064 1.00 10.00 H new ATOM 0 HG2 GLU A 48 -2.573 -12.821 -1.557 1.00 10.00 H new ATOM 0 HG3 GLU A 48 -3.773 -11.545 -1.587 1.00 10.00 H new ATOM 778 N GLN A 49 -2.876 -8.058 -2.193 1.00 10.00 N ATOM 779 CA GLN A 49 -3.533 -7.117 -1.292 1.00 10.00 C ATOM 780 C GLN A 49 -3.651 -5.713 -1.889 1.00 10.00 C ATOM 781 O GLN A 49 -4.491 -4.920 -1.468 1.00 10.00 O ATOM 782 CB GLN A 49 -2.729 -7.083 0.003 1.00 10.00 C ATOM 783 CG GLN A 49 -2.623 -8.455 0.687 1.00 10.00 C ATOM 784 CD GLN A 49 -3.950 -9.012 1.201 1.00 10.00 C ATOM 785 OE1 GLN A 49 -4.173 -9.030 2.408 1.00 10.00 O ATOM 786 NE2 GLN A 49 -4.822 -9.511 0.328 1.00 10.00 N ATOM 0 H GLN A 49 -1.886 -7.857 -2.333 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.555 -7.452 -1.112 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -1.726 -6.712 -0.209 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.192 -6.376 0.692 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -2.194 -9.166 -0.019 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -1.928 -8.377 1.523 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -4.616 -9.485 -0.671 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -5.697 -9.919 0.658 1.00 10.00 H new ATOM 795 N ALA A 50 -2.774 -5.395 -2.838 1.00 10.00 N ATOM 796 CA ALA A 50 -2.753 -4.120 -3.535 1.00 10.00 C ATOM 797 C ALA A 50 -4.086 -3.793 -4.210 1.00 10.00 C ATOM 798 O ALA A 50 -4.909 -4.673 -4.446 1.00 10.00 O ATOM 799 CB ALA A 50 -1.659 -4.135 -4.590 1.00 10.00 C ATOM 0 H ALA A 50 -2.043 -6.035 -3.148 1.00 10.00 H new ATOM 0 HA ALA A 50 -2.563 -3.351 -2.786 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -1.644 -3.178 -5.112 1.00 10.00 H new ATOM 0 HB2 ALA A 50 -0.694 -4.302 -4.111 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -1.853 -4.935 -5.304 1.00 10.00 H new ATOM 805 N GLY A 51 -4.279 -2.504 -4.516 1.00 10.00 N ATOM 806 CA GLY A 51 -5.578 -1.911 -4.801 1.00 10.00 C ATOM 807 C GLY A 51 -6.660 -2.550 -3.953 1.00 10.00 C ATOM 808 O GLY A 51 -7.678 -3.043 -4.429 1.00 10.00 O ATOM 0 H GLY A 51 -3.513 -1.833 -4.572 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -5.544 -0.839 -4.607 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -5.816 -2.036 -5.857 1.00 10.00 H new ATOM 812 N GLY A 52 -6.411 -2.482 -2.651 1.00 10.00 N ATOM 813 CA GLY A 52 -7.323 -2.858 -1.620 1.00 10.00 C ATOM 814 C GLY A 52 -6.691 -2.407 -0.312 1.00 10.00 C ATOM 815 O GLY A 52 -5.601 -1.824 -0.277 1.00 10.00 O ATOM 0 H GLY A 52 -5.520 -2.145 -2.286 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -8.294 -2.385 -1.767 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -7.490 -3.935 -1.621 1.00 10.00 H new ATOM 819 N ASP A 53 -7.420 -2.670 0.757 1.00 10.00 N ATOM 820 CA ASP A 53 -6.979 -2.435 2.119 1.00 10.00 C ATOM 821 C ASP A 53 -6.127 -3.610 2.589 1.00 10.00 C ATOM 822 O ASP A 53 -6.547 -4.759 2.475 1.00 10.00 O ATOM 823 CB ASP A 53 -8.180 -2.195 3.041 1.00 10.00 C ATOM 824 CG ASP A 53 -7.717 -1.667 4.390 1.00 10.00 C ATOM 825 OD1 ASP A 53 -7.005 -2.414 5.094 1.00 10.00 O ATOM 826 OD2 ASP A 53 -8.021 -0.498 4.703 1.00 10.00 O ATOM 0 H ASP A 53 -8.359 -3.063 0.700 1.00 10.00 H new ATOM 0 HA ASP A 53 -6.365 -1.535 2.153 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -8.864 -1.482 2.580 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -8.733 -3.124 3.178 1.00 10.00 H new ATOM 831 N ALA A 54 -4.922 -3.317 3.085 1.00 10.00 N ATOM 832 CA ALA A 54 -4.026 -4.306 3.670 1.00 10.00 C ATOM 833 C ALA A 54 -3.649 -3.913 5.100 1.00 10.00 C ATOM 834 O ALA A 54 -2.566 -4.267 5.568 1.00 10.00 O ATOM 835 CB ALA A 54 -2.792 -4.437 2.776 1.00 10.00 C ATOM 0 H ALA A 54 -4.540 -2.371 3.089 1.00 10.00 H new ATOM 0 HA ALA A 54 -4.525 -5.273 3.729 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -2.111 -5.174 3.201 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -3.097 -4.757 1.780 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -2.287 -3.473 2.709 1.00 10.00 H new ATOM 841 N THR A 55 -4.519 -3.177 5.796 1.00 10.00 N ATOM 842 CA THR A 55 -4.226 -2.650 7.120 1.00 10.00 C ATOM 843 C THR A 55 -3.947 -3.791 8.095 1.00 10.00 C ATOM 844 O THR A 55 -2.863 -3.854 8.680 1.00 10.00 O ATOM 845 CB THR A 55 -5.367 -1.747 7.624 1.00 10.00 C ATOM 846 OG1 THR A 55 -5.690 -0.754 6.678 1.00 10.00 O ATOM 847 CG2 THR A 55 -4.900 -1.026 8.884 1.00 10.00 C ATOM 0 H THR A 55 -5.447 -2.932 5.451 1.00 10.00 H new ATOM 0 HA THR A 55 -3.330 -2.033 7.054 1.00 10.00 H new ATOM 0 HB THR A 55 -6.238 -2.376 7.808 1.00 10.00 H new ATOM 0 HG1 THR A 55 -5.976 -1.179 5.842 1.00 10.00 H new ATOM 0 HG21 THR A 55 -5.699 -0.382 9.252 1.00 10.00 H new ATOM 0 HG22 THR A 55 -4.643 -1.759 9.649 1.00 10.00 H new ATOM 0 HG23 THR A 55 -4.024 -0.420 8.653 1.00 10.00 H new ATOM 855 N GLU A 56 -4.930 -4.687 8.252 1.00 10.00 N ATOM 856 CA GLU A 56 -4.833 -5.872 9.074 1.00 10.00 C ATOM 857 C GLU A 56 -3.540 -6.589 8.714 1.00 10.00 C ATOM 858 O GLU A 56 -2.653 -6.677 9.542 1.00 10.00 O ATOM 859 CB GLU A 56 -6.090 -6.727 8.854 1.00 10.00 C ATOM 860 CG GLU A 56 -6.150 -7.944 9.779 1.00 10.00 C ATOM 861 CD GLU A 56 -7.459 -8.697 9.576 1.00 10.00 C ATOM 862 OE1 GLU A 56 -7.633 -9.222 8.455 1.00 10.00 O ATOM 863 OE2 GLU A 56 -8.271 -8.699 10.525 1.00 10.00 O ATOM 0 H GLU A 56 -5.835 -4.593 7.792 1.00 10.00 H new ATOM 0 HA GLU A 56 -4.793 -5.639 10.138 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -6.975 -6.111 9.014 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -6.118 -7.063 7.817 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -5.307 -8.605 9.577 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -6.063 -7.625 10.818 1.00 10.00 H new ATOM 870 N ASN A 57 -3.400 -7.020 7.460 1.00 10.00 N ATOM 871 CA ASN A 57 -2.245 -7.778 6.990 1.00 10.00 C ATOM 872 C ASN A 57 -0.906 -7.120 7.375 1.00 10.00 C ATOM 873 O ASN A 57 -0.013 -7.761 7.932 1.00 10.00 O ATOM 874 CB ASN A 57 -2.384 -7.982 5.477 1.00 10.00 C ATOM 875 CG ASN A 57 -1.506 -9.124 4.980 1.00 10.00 C ATOM 876 OD1 ASN A 57 -0.443 -9.384 5.524 1.00 10.00 O ATOM 877 ND2 ASN A 57 -1.950 -9.834 3.948 1.00 10.00 N ATOM 0 H ASN A 57 -4.096 -6.849 6.734 1.00 10.00 H new ATOM 0 HA ASN A 57 -2.229 -8.749 7.485 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -3.425 -8.190 5.232 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -2.112 -7.062 4.959 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -1.400 -10.616 3.593 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -2.841 -9.597 3.511 1.00 10.00 H new ATOM 884 N PHE A 58 -0.762 -5.819 7.106 1.00 10.00 N ATOM 885 CA PHE A 58 0.449 -5.083 7.454 1.00 10.00 C ATOM 886 C PHE A 58 0.744 -5.164 8.956 1.00 10.00 C ATOM 887 O PHE A 58 1.868 -5.492 9.348 1.00 10.00 O ATOM 888 CB PHE A 58 0.323 -3.622 7.011 1.00 10.00 C ATOM 889 CG PHE A 58 1.561 -2.789 7.293 1.00 10.00 C ATOM 890 CD1 PHE A 58 2.752 -3.046 6.589 1.00 10.00 C ATOM 891 CD2 PHE A 58 1.534 -1.772 8.267 1.00 10.00 C ATOM 892 CE1 PHE A 58 3.900 -2.274 6.832 1.00 10.00 C ATOM 893 CE2 PHE A 58 2.685 -0.998 8.510 1.00 10.00 C ATOM 894 CZ PHE A 58 3.870 -1.256 7.800 1.00 10.00 C ATOM 0 H PHE A 58 -1.476 -5.254 6.645 1.00 10.00 H new ATOM 0 HA PHE A 58 1.285 -5.544 6.928 1.00 10.00 H new ATOM 0 HB2 PHE A 58 0.112 -3.593 5.942 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.531 -3.171 7.517 1.00 10.00 H new ATOM 0 HD1 PHE A 58 2.784 -3.841 5.858 1.00 10.00 H new ATOM 0 HD2 PHE A 58 0.630 -1.586 8.828 1.00 10.00 H new ATOM 0 HE1 PHE A 58 4.806 -2.463 6.275 1.00 10.00 H new ATOM 0 HE2 PHE A 58 2.657 -0.205 9.243 1.00 10.00 H new ATOM 0 HZ PHE A 58 4.757 -0.672 7.998 1.00 10.00 H new ATOM 904 N GLU A 59 -0.263 -4.831 9.772 1.00 10.00 N ATOM 905 CA GLU A 59 -0.168 -4.770 11.225 1.00 10.00 C ATOM 906 C GLU A 59 0.179 -6.156 11.774 1.00 10.00 C ATOM 907 O GLU A 59 1.221 -6.353 12.395 1.00 10.00 O ATOM 908 CB GLU A 59 -1.514 -4.246 11.761 1.00 10.00 C ATOM 909 CG GLU A 59 -1.533 -3.981 13.273 1.00 10.00 C ATOM 910 CD GLU A 59 -0.457 -2.997 13.691 1.00 10.00 C ATOM 911 OE1 GLU A 59 -0.403 -1.892 13.101 1.00 10.00 O ATOM 912 OE2 GLU A 59 0.388 -3.374 14.535 1.00 10.00 O ATOM 0 H GLU A 59 -1.191 -4.591 9.424 1.00 10.00 H new ATOM 0 HA GLU A 59 0.624 -4.095 11.548 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -1.765 -3.322 11.239 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -2.293 -4.969 11.521 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -2.510 -3.593 13.561 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -1.393 -4.920 13.808 1.00 10.00 H new ATOM 919 N ASP A 60 -0.714 -7.100 11.488 1.00 10.00 N ATOM 920 CA ASP A 60 -0.633 -8.543 11.673 1.00 10.00 C ATOM 921 C ASP A 60 0.798 -9.065 11.515 1.00 10.00 C ATOM 922 O ASP A 60 1.358 -9.649 12.440 1.00 10.00 O ATOM 923 CB ASP A 60 -1.572 -9.201 10.649 1.00 10.00 C ATOM 924 CG ASP A 60 -1.427 -10.713 10.666 1.00 10.00 C ATOM 925 OD1 ASP A 60 -2.094 -11.349 11.508 1.00 10.00 O ATOM 926 OD2 ASP A 60 -0.626 -11.198 9.835 1.00 10.00 O ATOM 0 H ASP A 60 -1.610 -6.841 11.075 1.00 10.00 H new ATOM 0 HA ASP A 60 -0.937 -8.794 12.689 1.00 10.00 H new ATOM 0 HB2 ASP A 60 -2.604 -8.929 10.870 1.00 10.00 H new ATOM 0 HB3 ASP A 60 -1.350 -8.823 9.651 1.00 10.00 H new ATOM 931 N HIS A 61 1.407 -8.822 10.350 1.00 10.00 N ATOM 932 CA HIS A 61 2.752 -9.297 10.034 1.00 10.00 C ATOM 933 C HIS A 61 3.858 -8.681 10.908 1.00 10.00 C ATOM 934 O HIS A 61 5.011 -9.093 10.803 1.00 10.00 O ATOM 935 CB HIS A 61 3.018 -9.071 8.544 1.00 10.00 C ATOM 936 CG HIS A 61 2.349 -10.084 7.648 1.00 10.00 C ATOM 937 ND1 HIS A 61 1.187 -10.786 7.893 1.00 10.00 N ATOM 938 CD2 HIS A 61 2.868 -10.553 6.474 1.00 10.00 C ATOM 939 CE1 HIS A 61 1.014 -11.642 6.871 1.00 10.00 C ATOM 940 NE2 HIS A 61 2.017 -11.543 5.980 1.00 10.00 N ATOM 0 H HIS A 61 0.975 -8.286 9.597 1.00 10.00 H new ATOM 0 HA HIS A 61 2.786 -10.362 10.265 1.00 10.00 H new ATOM 0 HB2 HIS A 61 2.674 -8.074 8.270 1.00 10.00 H new ATOM 0 HB3 HIS A 61 4.093 -9.097 8.368 1.00 10.00 H new ATOM 0 HD1 HIS A 61 0.573 -10.676 8.700 1.00 10.00 H new ATOM 0 HD2 HIS A 61 3.782 -10.215 6.008 1.00 10.00 H new ATOM 0 HE1 HIS A 61 0.179 -12.320 6.777 1.00 10.00 H new ATOM 948 N GLY A 62 3.545 -7.714 11.774 1.00 10.00 N ATOM 949 CA GLY A 62 4.474 -7.191 12.764 1.00 10.00 C ATOM 950 C GLY A 62 5.618 -6.417 12.116 1.00 10.00 C ATOM 951 O GLY A 62 6.753 -6.475 12.581 1.00 10.00 O ATOM 0 H GLY A 62 2.627 -7.271 11.803 1.00 10.00 H new ATOM 0 HA2 GLY A 62 3.940 -6.539 13.455 1.00 10.00 H new ATOM 0 HA3 GLY A 62 4.880 -8.014 13.352 1.00 10.00 H new ATOM 955 N HIS A 63 5.307 -5.673 11.052 1.00 10.00 N ATOM 956 CA HIS A 63 6.286 -4.913 10.291 1.00 10.00 C ATOM 957 C HIS A 63 7.056 -3.925 11.175 1.00 10.00 C ATOM 958 O HIS A 63 6.461 -3.224 11.995 1.00 10.00 O ATOM 959 CB HIS A 63 5.560 -4.199 9.151 1.00 10.00 C ATOM 960 CG HIS A 63 5.312 -5.109 7.979 1.00 10.00 C ATOM 961 ND1 HIS A 63 4.198 -5.880 7.743 1.00 10.00 N ATOM 962 CD2 HIS A 63 6.135 -5.222 6.897 1.00 10.00 C ATOM 963 CE1 HIS A 63 4.348 -6.429 6.521 1.00 10.00 C ATOM 964 NE2 HIS A 63 5.510 -6.041 5.954 1.00 10.00 N ATOM 0 H HIS A 63 4.356 -5.584 10.695 1.00 10.00 H new ATOM 0 HA HIS A 63 7.032 -5.594 9.882 1.00 10.00 H new ATOM 0 HB2 HIS A 63 4.609 -3.810 9.515 1.00 10.00 H new ATOM 0 HB3 HIS A 63 6.151 -3.343 8.826 1.00 10.00 H new ATOM 0 HD1 HIS A 63 3.407 -6.012 8.374 1.00 10.00 H new ATOM 0 HD2 HIS A 63 7.104 -4.758 6.788 1.00 10.00 H new ATOM 0 HE1 HIS A 63 3.633 -7.092 6.057 1.00 10.00 H new ATOM 972 N SER A 64 8.378 -3.868 11.012 1.00 10.00 N ATOM 973 CA SER A 64 9.265 -3.102 11.876 1.00 10.00 C ATOM 974 C SER A 64 8.978 -1.597 11.831 1.00 10.00 C ATOM 975 O SER A 64 8.347 -1.089 10.905 1.00 10.00 O ATOM 976 CB SER A 64 10.721 -3.400 11.497 1.00 10.00 C ATOM 977 OG SER A 64 10.944 -4.792 11.591 1.00 10.00 O ATOM 0 H SER A 64 8.866 -4.361 10.264 1.00 10.00 H new ATOM 0 HA SER A 64 9.084 -3.411 12.905 1.00 10.00 H new ATOM 0 HB2 SER A 64 10.925 -3.053 10.484 1.00 10.00 H new ATOM 0 HB3 SER A 64 11.400 -2.864 12.160 1.00 10.00 H new ATOM 0 HG SER A 64 11.872 -4.992 11.349 1.00 10.00 H new ATOM 983 N THR A 65 9.491 -0.878 12.831 1.00 10.00 N ATOM 984 CA THR A 65 9.527 0.575 12.922 1.00 10.00 C ATOM 985 C THR A 65 9.912 1.213 11.592 1.00 10.00 C ATOM 986 O THR A 65 9.320 2.197 11.163 1.00 10.00 O ATOM 987 CB THR A 65 10.588 0.912 13.988 1.00 10.00 C ATOM 988 OG1 THR A 65 11.589 -0.101 14.023 1.00 10.00 O ATOM 989 CG2 THR A 65 9.935 0.950 15.371 1.00 10.00 C ATOM 0 H THR A 65 9.916 -1.324 13.644 1.00 10.00 H new ATOM 0 HA THR A 65 8.542 0.963 13.183 1.00 10.00 H new ATOM 0 HB THR A 65 11.028 1.877 13.735 1.00 10.00 H new ATOM 0 HG1 THR A 65 12.164 -0.020 13.234 1.00 10.00 H new ATOM 0 HG21 THR A 65 10.688 1.188 16.122 1.00 10.00 H new ATOM 0 HG22 THR A 65 9.155 1.711 15.384 1.00 10.00 H new ATOM 0 HG23 THR A 65 9.496 -0.023 15.593 1.00 10.00 H new ATOM 997 N ASP A 66 10.920 0.638 10.956 1.00 10.00 N ATOM 998 CA ASP A 66 11.569 1.109 9.753 1.00 10.00 C ATOM 999 C ASP A 66 10.581 1.030 8.588 1.00 10.00 C ATOM 1000 O ASP A 66 10.392 1.989 7.841 1.00 10.00 O ATOM 1001 CB ASP A 66 12.816 0.230 9.545 1.00 10.00 C ATOM 1002 CG ASP A 66 13.679 0.122 10.807 1.00 10.00 C ATOM 1003 OD1 ASP A 66 13.126 -0.352 11.833 1.00 10.00 O ATOM 1004 OD2 ASP A 66 14.855 0.529 10.732 1.00 10.00 O ATOM 0 H ASP A 66 11.332 -0.232 11.295 1.00 10.00 H new ATOM 0 HA ASP A 66 11.882 2.151 9.824 1.00 10.00 H new ATOM 0 HB2 ASP A 66 12.505 -0.768 9.236 1.00 10.00 H new ATOM 0 HB3 ASP A 66 13.416 0.643 8.734 1.00 10.00 H new ATOM 1009 N ALA A 67 9.902 -0.114 8.474 1.00 10.00 N ATOM 1010 CA ALA A 67 8.837 -0.348 7.521 1.00 10.00 C ATOM 1011 C ALA A 67 7.700 0.637 7.789 1.00 10.00 C ATOM 1012 O ALA A 67 7.177 1.240 6.863 1.00 10.00 O ATOM 1013 CB ALA A 67 8.359 -1.800 7.620 1.00 10.00 C ATOM 0 H ALA A 67 10.091 -0.923 9.066 1.00 10.00 H new ATOM 0 HA ALA A 67 9.200 -0.188 6.506 1.00 10.00 H new ATOM 0 HB1 ALA A 67 7.558 -1.969 6.900 1.00 10.00 H new ATOM 0 HB2 ALA A 67 9.189 -2.472 7.403 1.00 10.00 H new ATOM 0 HB3 ALA A 67 7.989 -1.993 8.627 1.00 10.00 H new ATOM 1019 N ARG A 68 7.343 0.810 9.063 1.00 10.00 N ATOM 1020 CA ARG A 68 6.386 1.806 9.532 1.00 10.00 C ATOM 1021 C ARG A 68 6.732 3.202 8.980 1.00 10.00 C ATOM 1022 O ARG A 68 5.934 3.805 8.260 1.00 10.00 O ATOM 1023 CB ARG A 68 6.340 1.764 11.075 1.00 10.00 C ATOM 1024 CG ARG A 68 5.008 1.250 11.632 1.00 10.00 C ATOM 1025 CD ARG A 68 4.979 -0.283 11.687 1.00 10.00 C ATOM 1026 NE ARG A 68 3.643 -0.755 12.094 1.00 10.00 N ATOM 1027 CZ ARG A 68 3.373 -1.726 12.983 1.00 10.00 C ATOM 1028 NH1 ARG A 68 4.315 -2.568 13.409 1.00 10.00 N ATOM 1029 NH2 ARG A 68 2.141 -1.847 13.463 1.00 10.00 N ATOM 0 H ARG A 68 7.726 0.241 9.818 1.00 10.00 H new ATOM 0 HA ARG A 68 5.388 1.576 9.158 1.00 10.00 H new ATOM 0 HB2 ARG A 68 7.147 1.127 11.438 1.00 10.00 H new ATOM 0 HB3 ARG A 68 6.525 2.765 11.464 1.00 10.00 H new ATOM 0 HG2 ARG A 68 4.849 1.655 12.632 1.00 10.00 H new ATOM 0 HG3 ARG A 68 4.189 1.609 11.009 1.00 10.00 H new ATOM 0 HD2 ARG A 68 5.235 -0.694 10.710 1.00 10.00 H new ATOM 0 HD3 ARG A 68 5.729 -0.643 12.391 1.00 10.00 H new ATOM 0 HE ARG A 68 2.843 -0.298 11.657 1.00 10.00 H new ATOM 0 HH11 ARG A 68 5.270 -2.484 13.059 1.00 10.00 H new ATOM 0 HH12 ARG A 68 4.081 -3.296 14.084 1.00 10.00 H new ATOM 0 HH21 ARG A 68 1.409 -1.206 13.157 1.00 10.00 H new ATOM 0 HH22 ARG A 68 1.926 -2.581 14.138 1.00 10.00 H new ATOM 1043 N GLU A 69 7.924 3.716 9.303 1.00 10.00 N ATOM 1044 CA GLU A 69 8.488 4.938 8.745 1.00 10.00 C ATOM 1045 C GLU A 69 8.290 4.960 7.224 1.00 10.00 C ATOM 1046 O GLU A 69 7.699 5.896 6.686 1.00 10.00 O ATOM 1047 CB GLU A 69 9.968 5.054 9.159 1.00 10.00 C ATOM 1048 CG GLU A 69 10.408 6.508 9.394 1.00 10.00 C ATOM 1049 CD GLU A 69 9.663 7.157 10.552 1.00 10.00 C ATOM 1050 OE1 GLU A 69 9.322 6.458 11.533 1.00 10.00 O ATOM 1051 OE2 GLU A 69 9.290 8.346 10.431 1.00 10.00 O ATOM 0 H GLU A 69 8.540 3.273 9.985 1.00 10.00 H new ATOM 0 HA GLU A 69 7.970 5.811 9.141 1.00 10.00 H new ATOM 0 HB2 GLU A 69 10.132 4.478 10.070 1.00 10.00 H new ATOM 0 HB3 GLU A 69 10.593 4.611 8.384 1.00 10.00 H new ATOM 0 HG2 GLU A 69 11.479 6.533 9.594 1.00 10.00 H new ATOM 0 HG3 GLU A 69 10.240 7.087 8.486 1.00 10.00 H new ATOM 1058 N LEU A 70 8.714 3.894 6.541 1.00 10.00 N ATOM 1059 CA LEU A 70 8.528 3.762 5.104 1.00 10.00 C ATOM 1060 C LEU A 70 7.074 3.977 4.679 1.00 10.00 C ATOM 1061 O LEU A 70 6.808 4.679 3.707 1.00 10.00 O ATOM 1062 CB LEU A 70 9.048 2.404 4.597 1.00 10.00 C ATOM 1063 CG LEU A 70 10.357 2.477 3.793 1.00 10.00 C ATOM 1064 CD1 LEU A 70 10.403 3.654 2.810 1.00 10.00 C ATOM 1065 CD2 LEU A 70 11.550 2.548 4.743 1.00 10.00 C ATOM 0 H LEU A 70 9.194 3.104 6.972 1.00 10.00 H new ATOM 0 HA LEU A 70 9.118 4.553 4.641 1.00 10.00 H new ATOM 0 HB2 LEU A 70 9.199 1.746 5.453 1.00 10.00 H new ATOM 0 HB3 LEU A 70 8.280 1.946 3.974 1.00 10.00 H new ATOM 0 HG LEU A 70 10.404 1.567 3.194 1.00 10.00 H new ATOM 0 HD11 LEU A 70 11.353 3.645 2.276 1.00 10.00 H new ATOM 0 HD12 LEU A 70 9.585 3.564 2.096 1.00 10.00 H new ATOM 0 HD13 LEU A 70 10.304 4.590 3.359 1.00 10.00 H new ATOM 0 HD21 LEU A 70 12.473 2.599 4.165 1.00 10.00 H new ATOM 0 HD22 LEU A 70 11.464 3.436 5.369 1.00 10.00 H new ATOM 0 HD23 LEU A 70 11.566 1.659 5.374 1.00 10.00 H new ATOM 1077 N SER A 71 6.111 3.409 5.406 1.00 10.00 N ATOM 1078 CA SER A 71 4.707 3.619 5.111 1.00 10.00 C ATOM 1079 C SER A 71 4.399 5.112 5.132 1.00 10.00 C ATOM 1080 O SER A 71 3.732 5.606 4.226 1.00 10.00 O ATOM 1081 CB SER A 71 3.837 2.810 6.084 1.00 10.00 C ATOM 1082 OG SER A 71 4.332 1.492 6.204 1.00 10.00 O ATOM 0 H SER A 71 6.286 2.799 6.205 1.00 10.00 H new ATOM 0 HA SER A 71 4.472 3.257 4.110 1.00 10.00 H new ATOM 0 HB2 SER A 71 3.827 3.293 7.061 1.00 10.00 H new ATOM 0 HB3 SER A 71 2.807 2.788 5.729 1.00 10.00 H new ATOM 0 HG SER A 71 3.814 1.008 6.881 1.00 10.00 H new ATOM 1088 N LYS A 72 4.931 5.848 6.112 1.00 10.00 N ATOM 1089 CA LYS A 72 4.755 7.299 6.131 1.00 10.00 C ATOM 1090 C LYS A 72 5.253 7.886 4.812 1.00 10.00 C ATOM 1091 O LYS A 72 4.535 8.605 4.126 1.00 10.00 O ATOM 1092 CB LYS A 72 5.489 7.970 7.299 1.00 10.00 C ATOM 1093 CG LYS A 72 5.307 7.248 8.633 1.00 10.00 C ATOM 1094 CD LYS A 72 6.056 8.045 9.708 1.00 10.00 C ATOM 1095 CE LYS A 72 6.151 7.294 11.045 1.00 10.00 C ATOM 1096 NZ LYS A 72 7.215 7.859 11.900 1.00 10.00 N ATOM 0 H LYS A 72 5.476 5.471 6.887 1.00 10.00 H new ATOM 0 HA LYS A 72 3.691 7.496 6.264 1.00 10.00 H new ATOM 0 HB2 LYS A 72 6.553 8.023 7.066 1.00 10.00 H new ATOM 0 HB3 LYS A 72 5.133 8.996 7.399 1.00 10.00 H new ATOM 0 HG2 LYS A 72 4.249 7.171 8.884 1.00 10.00 H new ATOM 0 HG3 LYS A 72 5.695 6.231 8.572 1.00 10.00 H new ATOM 0 HD2 LYS A 72 7.061 8.273 9.352 1.00 10.00 H new ATOM 0 HD3 LYS A 72 5.551 8.998 9.866 1.00 10.00 H new ATOM 0 HE2 LYS A 72 5.195 7.350 11.565 1.00 10.00 H new ATOM 0 HE3 LYS A 72 6.352 6.239 10.859 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 7.817 7.090 12.259 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 7.793 8.520 11.343 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 6.785 8.365 12.701 1.00 10.00 H new ATOM 1110 N THR A 73 6.487 7.531 4.457 1.00 10.00 N ATOM 1111 CA THR A 73 7.139 7.939 3.219 1.00 10.00 C ATOM 1112 C THR A 73 6.262 7.643 1.996 1.00 10.00 C ATOM 1113 O THR A 73 6.252 8.417 1.042 1.00 10.00 O ATOM 1114 CB THR A 73 8.508 7.244 3.116 1.00 10.00 C ATOM 1115 OG1 THR A 73 9.112 7.185 4.391 1.00 10.00 O ATOM 1116 CG2 THR A 73 9.468 7.958 2.164 1.00 10.00 C ATOM 0 H THR A 73 7.075 6.935 5.040 1.00 10.00 H new ATOM 0 HA THR A 73 7.290 9.018 3.236 1.00 10.00 H new ATOM 0 HB THR A 73 8.319 6.246 2.721 1.00 10.00 H new ATOM 0 HG1 THR A 73 9.982 6.740 4.320 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.416 7.421 2.133 1.00 10.00 H new ATOM 0 HG22 THR A 73 9.035 7.987 1.164 1.00 10.00 H new ATOM 0 HG23 THR A 73 9.638 8.976 2.515 1.00 10.00 H new ATOM 1124 N PHE A 74 5.536 6.522 2.016 1.00 10.00 N ATOM 1125 CA PHE A 74 4.689 6.089 0.914 1.00 10.00 C ATOM 1126 C PHE A 74 3.301 6.727 0.933 1.00 10.00 C ATOM 1127 O PHE A 74 2.566 6.543 -0.040 1.00 10.00 O ATOM 1128 CB PHE A 74 4.550 4.565 0.937 1.00 10.00 C ATOM 1129 CG PHE A 74 5.831 3.757 0.864 1.00 10.00 C ATOM 1130 CD1 PHE A 74 6.961 4.225 0.162 1.00 10.00 C ATOM 1131 CD2 PHE A 74 5.863 2.481 1.454 1.00 10.00 C ATOM 1132 CE1 PHE A 74 8.139 3.462 0.141 1.00 10.00 C ATOM 1133 CE2 PHE A 74 7.013 1.686 1.353 1.00 10.00 C ATOM 1134 CZ PHE A 74 8.177 2.210 0.774 1.00 10.00 C ATOM 0 H PHE A 74 5.524 5.884 2.812 1.00 10.00 H new ATOM 0 HA PHE A 74 5.177 6.417 -0.004 1.00 10.00 H new ATOM 0 HB2 PHE A 74 4.025 4.286 1.851 1.00 10.00 H new ATOM 0 HB3 PHE A 74 3.915 4.270 0.102 1.00 10.00 H new ATOM 0 HD1 PHE A 74 6.920 5.170 -0.359 1.00 10.00 H new ATOM 0 HD2 PHE A 74 4.999 2.112 1.987 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.017 3.839 -0.363 1.00 10.00 H new ATOM 0 HE2 PHE A 74 7.002 0.671 1.721 1.00 10.00 H new ATOM 0 HZ PHE A 74 9.101 1.652 0.815 1.00 10.00 H new ATOM 1144 N ILE A 75 2.907 7.425 2.007 1.00 10.00 N ATOM 1145 CA ILE A 75 1.608 8.108 2.009 1.00 10.00 C ATOM 1146 C ILE A 75 1.492 9.065 0.823 1.00 10.00 C ATOM 1147 O ILE A 75 2.367 9.897 0.593 1.00 10.00 O ATOM 1148 CB ILE A 75 1.285 8.819 3.339 1.00 10.00 C ATOM 1149 CG1 ILE A 75 0.867 7.739 4.340 1.00 10.00 C ATOM 1150 CG2 ILE A 75 0.135 9.834 3.209 1.00 10.00 C ATOM 1151 CD1 ILE A 75 0.860 8.221 5.794 1.00 10.00 C ATOM 0 H ILE A 75 3.452 7.530 2.863 1.00 10.00 H new ATOM 0 HA ILE A 75 0.855 7.327 1.902 1.00 10.00 H new ATOM 0 HB ILE A 75 2.169 9.372 3.658 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -0.129 7.380 4.080 1.00 10.00 H new ATOM 0 HG13 ILE A 75 1.545 6.890 4.250 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -0.048 10.303 4.176 1.00 10.00 H new ATOM 0 HG22 ILE A 75 0.405 10.598 2.480 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -0.768 9.320 2.879 1.00 10.00 H new ATOM 0 HD11 ILE A 75 0.554 7.403 6.447 1.00 10.00 H new ATOM 0 HD12 ILE A 75 1.860 8.553 6.072 1.00 10.00 H new ATOM 0 HD13 ILE A 75 0.160 9.050 5.899 1.00 10.00 H new ATOM 1163 N ILE A 76 0.380 8.952 0.094 1.00 10.00 N ATOM 1164 CA ILE A 76 0.098 9.744 -1.100 1.00 10.00 C ATOM 1165 C ILE A 76 -1.302 10.367 -1.071 1.00 10.00 C ATOM 1166 O ILE A 76 -1.621 11.179 -1.945 1.00 10.00 O ATOM 1167 CB ILE A 76 0.248 8.853 -2.347 1.00 10.00 C ATOM 1168 CG1 ILE A 76 -0.407 7.481 -2.096 1.00 10.00 C ATOM 1169 CG2 ILE A 76 1.728 8.707 -2.725 1.00 10.00 C ATOM 1170 CD1 ILE A 76 -0.824 6.753 -3.373 1.00 10.00 C ATOM 0 H ILE A 76 -0.364 8.293 0.324 1.00 10.00 H new ATOM 0 HA ILE A 76 0.814 10.565 -1.131 1.00 10.00 H new ATOM 0 HB ILE A 76 -0.263 9.324 -3.187 1.00 10.00 H new ATOM 0 HG12 ILE A 76 0.290 6.852 -1.542 1.00 10.00 H new ATOM 0 HG13 ILE A 76 -1.285 7.618 -1.464 1.00 10.00 H new ATOM 0 HG21 ILE A 76 1.817 8.074 -3.608 1.00 10.00 H new ATOM 0 HG22 ILE A 76 2.148 9.690 -2.939 1.00 10.00 H new ATOM 0 HG23 ILE A 76 2.272 8.253 -1.897 1.00 10.00 H new ATOM 0 HD11 ILE A 76 -1.277 5.796 -3.115 1.00 10.00 H new ATOM 0 HD12 ILE A 76 -1.546 7.360 -3.919 1.00 10.00 H new ATOM 0 HD13 ILE A 76 0.053 6.583 -3.998 1.00 10.00 H new ATOM 1182 N GLY A 77 -2.165 9.955 -0.140 1.00 10.00 N ATOM 1183 CA GLY A 77 -3.607 10.117 -0.300 1.00 10.00 C ATOM 1184 C GLY A 77 -4.316 9.416 0.833 1.00 10.00 C ATOM 1185 O GLY A 77 -3.662 8.871 1.725 1.00 10.00 O ATOM 0 H GLY A 77 -1.887 9.506 0.733 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -3.867 11.175 -0.308 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -3.927 9.703 -1.256 1.00 10.00 H new ATOM 1189 N GLU A 78 -5.648 9.400 0.771 1.00 10.00 N ATOM 1190 CA GLU A 78 -6.459 8.644 1.694 1.00 10.00 C ATOM 1191 C GLU A 78 -7.695 8.129 0.974 1.00 10.00 C ATOM 1192 O GLU A 78 -8.189 8.794 0.063 1.00 10.00 O ATOM 1193 CB GLU A 78 -6.904 9.500 2.887 1.00 10.00 C ATOM 1194 CG GLU A 78 -6.093 10.785 3.159 1.00 10.00 C ATOM 1195 CD GLU A 78 -6.249 11.281 4.590 1.00 10.00 C ATOM 1196 OE1 GLU A 78 -7.148 10.761 5.288 1.00 10.00 O ATOM 1197 OE2 GLU A 78 -5.372 12.049 5.028 1.00 10.00 O ATOM 0 H GLU A 78 -6.185 9.916 0.074 1.00 10.00 H new ATOM 0 HA GLU A 78 -5.857 7.816 2.068 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -7.946 9.781 2.734 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -6.869 8.880 3.783 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -5.039 10.595 2.957 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -6.414 11.566 2.470 1.00 10.00 H new ATOM 1204 N LEU A 79 -8.189 6.987 1.455 1.00 10.00 N ATOM 1205 CA LEU A 79 -9.491 6.429 1.145 1.00 10.00 C ATOM 1206 C LEU A 79 -10.555 7.504 1.262 1.00 10.00 C ATOM 1207 O LEU A 79 -10.721 8.079 2.336 1.00 10.00 O ATOM 1208 CB LEU A 79 -9.769 5.319 2.159 1.00 10.00 C ATOM 1209 CG LEU A 79 -11.171 4.723 1.988 1.00 10.00 C ATOM 1210 CD1 LEU A 79 -11.292 3.982 0.652 1.00 10.00 C ATOM 1211 CD2 LEU A 79 -11.468 3.802 3.164 1.00 10.00 C ATOM 0 H LEU A 79 -7.660 6.403 2.103 1.00 10.00 H new ATOM 0 HA LEU A 79 -9.507 6.037 0.128 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -9.024 4.531 2.047 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -9.664 5.716 3.169 1.00 10.00 H new ATOM 0 HG LEU A 79 -11.907 5.527 1.974 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -12.296 3.568 0.555 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -11.105 4.676 -0.167 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -10.562 3.174 0.617 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -12.464 3.374 3.049 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -10.730 3.000 3.194 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -11.423 4.371 4.092 1.00 10.00 H new ATOM 1223 N HIS A 80 -11.280 7.760 0.174 1.00 10.00 N ATOM 1224 CA HIS A 80 -12.281 8.797 0.178 1.00 10.00 C ATOM 1225 C HIS A 80 -13.395 8.515 1.166 1.00 10.00 C ATOM 1226 O HIS A 80 -14.177 7.616 0.915 1.00 10.00 O ATOM 1227 CB HIS A 80 -12.852 9.047 -1.211 1.00 10.00 C ATOM 1228 CG HIS A 80 -13.693 10.289 -1.199 1.00 10.00 C ATOM 1229 ND1 HIS A 80 -15.061 10.356 -1.060 1.00 10.00 N ATOM 1230 CD2 HIS A 80 -13.182 11.478 -0.772 1.00 10.00 C ATOM 1231 CE1 HIS A 80 -15.356 11.579 -0.578 1.00 10.00 C ATOM 1232 NE2 HIS A 80 -14.239 12.295 -0.372 1.00 10.00 N ATOM 0 H HIS A 80 -11.186 7.261 -0.711 1.00 10.00 H new ATOM 0 HA HIS A 80 -11.772 9.705 0.500 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -12.043 9.152 -1.933 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -13.452 8.194 -1.526 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -12.135 11.743 -0.748 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -16.357 11.936 -0.383 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -14.176 13.242 0.001 1.00 10.00 H new