USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 780 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 63 LYS NZ :NH3+ 151:sc= -2.56! (180deg=-3.97!) USER MOD Set 1.2: A 94 TYR OH : rot 90:sc= -3.41! USER MOD Set 2.1: A 53 GLN : amide:sc= -2.13 K(o=-2.1,f=-5.9!) USER MOD Set 2.2: A 61 TYR OH : rot 65:sc= -0.0175 USER MOD Set 3.1: A 36 THR OG1 : rot -43:sc= 0.852 USER MOD Set 3.2: A 40 TYR OH : rot -155:sc= -7.5! USER MOD Set 4.1: A 12 SER OG : rot 160:sc= 0.952 USER MOD Set 4.2: A 15 LYS NZ :NH3+ -149:sc= 1.23 (180deg=0) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= -2.25! USER MOD Single : A 22 GLN : amide:sc= -14.2! C(o=-14!,f=-8.3!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0127) USER MOD Single : A 31 GLN : amide:sc= -2.76 K(o=-2.8,f=-0.61) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -6.48! C(o=-6.5!,f=-7.5!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -3.9! X(o=-3.9!,f=-4) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 145:sc= -1.64! (180deg=-1.74!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -31:sc= 0.488 USER MOD Single : A 59 ASN : amide:sc= -6.11! C(o=-6.1!,f=-7.6!) USER MOD Single : A 60 TYR OH : rot 180:sc= -4.41! USER MOD Single : A 92 ASN : amide:sc= -2.05! C(o=-2!,f=-9.2!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 MET CE :methyl -151:sc= -9.06! (180deg=-11.2!) USER MOD Single : A 96 HIS : no HD1:sc= -14! C(o=-14!,f=-12!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -162:sc= 0.00456 (180deg=-0.0101) USER MOD Single : A 102 SER OG : rot 172:sc= 0.179 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 105AASN : amide:sc= -7.09! C(o=-7.1!,f=-7.7!) USER MOD Single : A 111 THR OG1 : rot 173:sc= -2.81! USER MOD Single : A 113 TYR OH : rot 30:sc= -0.0267 USER MOD Single : A 114 GLN : amide:sc= -4.46! C(o=-4.5!,f=-2.9!) USER MOD Single : A 116 LYS NZ :NH3+ 149:sc= -0.295 (180deg=-1.3!) USER MOD Single : A 117 ASN : amide:sc= -1.14 K(o=-1.1,f=-5.2!) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.802! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 6 -14.217 11.283 16.406 1.00 0.00 N ATOM 2 CA MET A 6 -14.574 10.806 15.040 1.00 0.00 C ATOM 3 C MET A 6 -13.454 9.914 14.501 1.00 0.00 C ATOM 4 O MET A 6 -12.338 10.352 14.303 1.00 0.00 O ATOM 5 CB MET A 6 -14.759 12.008 14.110 1.00 0.00 C ATOM 6 CG MET A 6 -15.787 11.664 13.029 1.00 0.00 C ATOM 7 SD MET A 6 -16.783 13.127 12.650 1.00 0.00 S ATOM 8 CE MET A 6 -15.653 13.870 11.448 1.00 0.00 C ATOM 0 HA MET A 6 -15.502 10.236 15.087 1.00 0.00 H new ATOM 0 HB2 MET A 6 -15.092 12.875 14.681 1.00 0.00 H new ATOM 0 HB3 MET A 6 -13.808 12.275 13.650 1.00 0.00 H new ATOM 0 HG2 MET A 6 -15.280 11.314 12.130 1.00 0.00 H new ATOM 0 HG3 MET A 6 -16.430 10.852 13.369 1.00 0.00 H new ATOM 0 HE1 MET A 6 -16.078 14.803 11.077 1.00 0.00 H new ATOM 0 HE2 MET A 6 -14.695 14.073 11.927 1.00 0.00 H new ATOM 0 HE3 MET A 6 -15.504 13.183 10.615 1.00 0.00 H new ATOM 20 N ILE A 7 -13.742 8.664 14.261 1.00 0.00 N ATOM 21 CA ILE A 7 -12.694 7.747 13.732 1.00 0.00 C ATOM 22 C ILE A 7 -13.127 7.224 12.361 1.00 0.00 C ATOM 23 O ILE A 7 -13.777 6.203 12.268 1.00 0.00 O ATOM 24 CB ILE A 7 -12.499 6.560 14.685 1.00 0.00 C ATOM 25 CG1 ILE A 7 -13.015 6.918 16.082 1.00 0.00 C ATOM 26 CG2 ILE A 7 -11.010 6.220 14.768 1.00 0.00 C ATOM 27 CD1 ILE A 7 -12.203 8.087 16.639 1.00 0.00 C ATOM 0 H ILE A 7 -14.657 8.239 14.408 1.00 0.00 H new ATOM 0 HA ILE A 7 -11.755 8.293 13.645 1.00 0.00 H new ATOM 0 HB ILE A 7 -13.056 5.702 14.308 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -14.071 7.184 16.034 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -12.933 6.056 16.744 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -10.866 5.377 15.444 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -10.641 5.957 13.777 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.460 7.083 15.143 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -12.569 8.343 17.633 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -11.152 7.803 16.701 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -12.308 8.949 15.981 1.00 0.00 H new ATOM 39 N PRO A 8 -12.753 7.946 11.338 1.00 0.00 N ATOM 40 CA PRO A 8 -13.089 7.586 9.949 1.00 0.00 C ATOM 41 C PRO A 8 -12.164 6.474 9.444 1.00 0.00 C ATOM 42 O PRO A 8 -11.334 6.689 8.583 1.00 0.00 O ATOM 43 CB PRO A 8 -12.851 8.885 9.177 1.00 0.00 C ATOM 44 CG PRO A 8 -11.873 9.729 10.028 1.00 0.00 C ATOM 45 CD PRO A 8 -11.963 9.188 11.468 1.00 0.00 C ATOM 0 HA PRO A 8 -14.105 7.208 9.838 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -12.431 8.680 8.192 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -13.788 9.419 9.019 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -10.856 9.646 9.646 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -12.141 10.785 9.993 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -10.974 8.990 11.882 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.450 9.902 12.132 1.00 0.00 H new ATOM 53 N GLY A 9 -12.297 5.288 9.972 1.00 0.00 N ATOM 54 CA GLY A 9 -11.424 4.170 9.519 1.00 0.00 C ATOM 55 C GLY A 9 -11.766 2.900 10.300 1.00 0.00 C ATOM 56 O GLY A 9 -12.519 2.929 11.253 1.00 0.00 O ATOM 0 H GLY A 9 -12.972 5.046 10.697 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.560 3.999 8.451 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.376 4.430 9.669 1.00 0.00 H new ATOM 60 N GLY A 10 -11.215 1.786 9.903 1.00 0.00 N ATOM 61 CA GLY A 10 -11.506 0.513 10.622 1.00 0.00 C ATOM 62 C GLY A 10 -10.209 -0.247 10.886 1.00 0.00 C ATOM 63 O GLY A 10 -10.225 -1.371 11.342 1.00 0.00 O ATOM 0 H GLY A 10 -10.576 1.702 9.112 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.011 0.725 11.564 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -12.183 -0.102 10.029 1.00 0.00 H new ATOM 67 N LEU A 11 -9.103 0.378 10.586 1.00 0.00 N ATOM 68 CA LEU A 11 -7.750 -0.231 10.778 1.00 0.00 C ATOM 69 C LEU A 11 -7.801 -1.572 11.504 1.00 0.00 C ATOM 70 O LEU A 11 -7.919 -1.646 12.711 1.00 0.00 O ATOM 71 CB LEU A 11 -6.881 0.747 11.552 1.00 0.00 C ATOM 72 CG LEU A 11 -6.162 1.608 10.531 1.00 0.00 C ATOM 73 CD1 LEU A 11 -6.461 3.088 10.785 1.00 0.00 C ATOM 74 CD2 LEU A 11 -4.662 1.369 10.638 1.00 0.00 C ATOM 0 H LEU A 11 -9.079 1.322 10.201 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.329 -0.428 9.792 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.490 1.362 12.215 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.166 0.214 12.179 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.509 1.342 9.532 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.940 3.697 10.046 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.534 3.261 10.706 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.122 3.361 11.784 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.142 1.986 9.905 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.322 1.631 11.640 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.446 0.318 10.445 1.00 0.00 H new ATOM 86 N SER A 12 -7.699 -2.629 10.754 1.00 0.00 N ATOM 87 CA SER A 12 -7.722 -3.992 11.355 1.00 0.00 C ATOM 88 C SER A 12 -6.295 -4.543 11.421 1.00 0.00 C ATOM 89 O SER A 12 -5.381 -3.989 10.849 1.00 0.00 O ATOM 90 CB SER A 12 -8.582 -4.914 10.494 1.00 0.00 C ATOM 91 OG SER A 12 -8.736 -6.164 11.153 1.00 0.00 O ATOM 0 H SER A 12 -7.600 -2.609 9.739 1.00 0.00 H new ATOM 0 HA SER A 12 -8.140 -3.939 12.360 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.557 -4.460 10.317 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.117 -5.059 9.519 1.00 0.00 H new ATOM 0 HG SER A 12 -9.517 -6.631 10.790 1.00 0.00 H new ATOM 97 N GLU A 13 -6.098 -5.635 12.106 1.00 0.00 N ATOM 98 CA GLU A 13 -4.735 -6.222 12.197 1.00 0.00 C ATOM 99 C GLU A 13 -4.110 -6.267 10.800 1.00 0.00 C ATOM 100 O GLU A 13 -4.764 -5.990 9.814 1.00 0.00 O ATOM 101 CB GLU A 13 -4.833 -7.641 12.761 1.00 0.00 C ATOM 102 CG GLU A 13 -3.429 -8.190 13.021 1.00 0.00 C ATOM 103 CD GLU A 13 -3.513 -9.366 13.995 1.00 0.00 C ATOM 104 OE1 GLU A 13 -4.560 -9.990 14.050 1.00 0.00 O ATOM 105 OE2 GLU A 13 -2.529 -9.623 14.668 1.00 0.00 O ATOM 0 H GLU A 13 -6.825 -6.146 12.607 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.114 -5.612 12.853 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.409 -7.636 13.686 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.362 -8.286 12.059 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.974 -8.512 12.084 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -2.792 -7.408 13.433 1.00 0.00 H new ATOM 112 N ALA A 14 -2.852 -6.613 10.698 1.00 0.00 N ATOM 113 CA ALA A 14 -2.215 -6.667 9.350 1.00 0.00 C ATOM 114 C ALA A 14 -2.550 -7.974 8.665 1.00 0.00 C ATOM 115 O ALA A 14 -1.983 -9.004 8.974 1.00 0.00 O ATOM 116 CB ALA A 14 -0.691 -6.610 9.448 1.00 0.00 C ATOM 0 H ALA A 14 -2.245 -6.858 11.481 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.593 -5.811 8.792 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.260 -6.652 8.448 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.392 -5.681 9.933 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.332 -7.457 10.033 1.00 0.00 H new ATOM 122 N LYS A 15 -3.389 -7.949 7.684 1.00 0.00 N ATOM 123 CA LYS A 15 -3.631 -9.205 6.957 1.00 0.00 C ATOM 124 C LYS A 15 -2.406 -9.335 6.069 1.00 0.00 C ATOM 125 O LYS A 15 -1.922 -8.339 5.570 1.00 0.00 O ATOM 126 CB LYS A 15 -4.911 -9.113 6.125 1.00 0.00 C ATOM 127 CG LYS A 15 -5.998 -8.399 6.933 1.00 0.00 C ATOM 128 CD LYS A 15 -6.402 -9.266 8.127 1.00 0.00 C ATOM 129 CE LYS A 15 -6.415 -8.411 9.396 1.00 0.00 C ATOM 130 NZ LYS A 15 -7.755 -8.504 10.045 1.00 0.00 N ATOM 0 H LYS A 15 -3.907 -7.133 7.360 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.770 -10.063 7.615 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.717 -8.571 5.199 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.248 -10.111 5.846 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.632 -7.433 7.280 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.865 -8.204 6.302 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.387 -9.700 7.958 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.704 -10.095 8.241 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.641 -8.751 10.084 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.189 -7.373 9.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.965 -7.612 10.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.480 -8.679 9.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.755 -9.286 10.731 1.00 0.00 H new ATOM 144 N PRO A 16 -1.889 -10.509 5.924 1.00 0.00 N ATOM 145 CA PRO A 16 -0.669 -10.683 5.138 1.00 0.00 C ATOM 146 C PRO A 16 -0.948 -10.334 3.673 1.00 0.00 C ATOM 147 O PRO A 16 -1.915 -10.781 3.089 1.00 0.00 O ATOM 148 CB PRO A 16 -0.298 -12.154 5.360 1.00 0.00 C ATOM 149 CG PRO A 16 -1.596 -12.855 5.828 1.00 0.00 C ATOM 150 CD PRO A 16 -2.467 -11.752 6.466 1.00 0.00 C ATOM 0 HA PRO A 16 0.155 -10.032 5.429 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.079 -12.604 4.442 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.489 -12.249 6.108 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.111 -13.323 4.989 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.376 -13.644 6.547 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.517 -11.860 6.193 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.416 -11.778 7.554 1.00 0.00 H new ATOM 158 N ALA A 17 -0.133 -9.494 3.092 1.00 0.00 N ATOM 159 CA ALA A 17 -0.379 -9.065 1.689 1.00 0.00 C ATOM 160 C ALA A 17 -0.577 -10.256 0.760 1.00 0.00 C ATOM 161 O ALA A 17 0.180 -11.206 0.750 1.00 0.00 O ATOM 162 CB ALA A 17 0.792 -8.228 1.184 1.00 0.00 C ATOM 0 H ALA A 17 0.693 -9.087 3.531 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.293 -8.471 1.686 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.602 -7.919 0.156 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.906 -7.345 1.813 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.706 -8.821 1.222 1.00 0.00 H new ATOM 168 N THR A 18 -1.586 -10.163 -0.051 1.00 0.00 N ATOM 169 CA THR A 18 -1.887 -11.220 -1.049 1.00 0.00 C ATOM 170 C THR A 18 -1.549 -10.610 -2.409 1.00 0.00 C ATOM 171 O THR A 18 -0.903 -9.587 -2.443 1.00 0.00 O ATOM 172 CB THR A 18 -3.381 -11.573 -0.968 1.00 0.00 C ATOM 173 OG1 THR A 18 -4.109 -10.784 -1.887 1.00 0.00 O ATOM 174 CG2 THR A 18 -3.914 -11.281 0.421 1.00 0.00 C ATOM 0 H THR A 18 -2.234 -9.375 -0.064 1.00 0.00 H new ATOM 0 HA THR A 18 -1.319 -12.134 -0.878 1.00 0.00 H new ATOM 0 HB THR A 18 -3.495 -12.632 -1.198 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.060 -11.013 -1.833 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.973 -11.535 0.465 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.367 -11.875 1.153 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.785 -10.222 0.645 1.00 0.00 H new ATOM 182 N PRO A 19 -1.982 -11.195 -3.495 1.00 0.00 N ATOM 183 CA PRO A 19 -1.696 -10.604 -4.804 1.00 0.00 C ATOM 184 C PRO A 19 -2.545 -9.339 -4.986 1.00 0.00 C ATOM 185 O PRO A 19 -2.258 -8.494 -5.815 1.00 0.00 O ATOM 186 CB PRO A 19 -2.051 -11.714 -5.799 1.00 0.00 C ATOM 187 CG PRO A 19 -3.009 -12.673 -5.058 1.00 0.00 C ATOM 188 CD PRO A 19 -2.768 -12.454 -3.551 1.00 0.00 C ATOM 0 HA PRO A 19 -0.663 -10.284 -4.937 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.526 -11.301 -6.689 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.155 -12.239 -6.131 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.046 -12.464 -5.319 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.813 -13.709 -5.336 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.707 -12.363 -3.005 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.221 -13.287 -3.109 1.00 0.00 H new ATOM 196 N GLU A 20 -3.569 -9.175 -4.183 1.00 0.00 N ATOM 197 CA GLU A 20 -4.408 -7.946 -4.299 1.00 0.00 C ATOM 198 C GLU A 20 -3.711 -6.810 -3.553 1.00 0.00 C ATOM 199 O GLU A 20 -3.673 -5.682 -4.002 1.00 0.00 O ATOM 200 CB GLU A 20 -5.800 -8.202 -3.702 1.00 0.00 C ATOM 201 CG GLU A 20 -5.740 -8.137 -2.173 1.00 0.00 C ATOM 202 CD GLU A 20 -6.994 -8.791 -1.587 1.00 0.00 C ATOM 203 OE1 GLU A 20 -7.363 -9.851 -2.065 1.00 0.00 O ATOM 204 OE2 GLU A 20 -7.562 -8.222 -0.669 1.00 0.00 O ATOM 0 H GLU A 20 -3.856 -9.834 -3.459 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.531 -7.675 -5.348 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.506 -7.462 -4.077 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.165 -9.179 -4.018 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.847 -8.647 -1.811 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.670 -7.100 -1.844 1.00 0.00 H new ATOM 211 N ILE A 21 -3.128 -7.118 -2.434 1.00 0.00 N ATOM 212 CA ILE A 21 -2.389 -6.088 -1.659 1.00 0.00 C ATOM 213 C ILE A 21 -1.175 -5.696 -2.472 1.00 0.00 C ATOM 214 O ILE A 21 -0.910 -4.539 -2.729 1.00 0.00 O ATOM 215 CB ILE A 21 -1.956 -6.720 -0.339 1.00 0.00 C ATOM 216 CG1 ILE A 21 -3.187 -7.339 0.309 1.00 0.00 C ATOM 217 CG2 ILE A 21 -1.361 -5.659 0.591 1.00 0.00 C ATOM 218 CD1 ILE A 21 -4.305 -6.307 0.323 1.00 0.00 C ATOM 0 H ILE A 21 -3.131 -8.049 -2.018 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.000 -5.208 -1.458 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.194 -7.478 -0.521 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.499 -8.226 -0.243 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.957 -7.661 1.325 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.057 -6.126 1.528 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.493 -5.203 0.115 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.109 -4.892 0.793 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.193 -6.739 0.785 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -3.987 -5.434 0.893 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.537 -6.008 -0.699 1.00 0.00 H new ATOM 230 N GLN A 22 -0.457 -6.680 -2.898 1.00 0.00 N ATOM 231 CA GLN A 22 0.745 -6.427 -3.734 1.00 0.00 C ATOM 232 C GLN A 22 0.281 -5.813 -5.061 1.00 0.00 C ATOM 233 O GLN A 22 1.064 -5.251 -5.793 1.00 0.00 O ATOM 234 CB GLN A 22 1.526 -7.740 -3.948 1.00 0.00 C ATOM 235 CG GLN A 22 1.940 -7.916 -5.418 1.00 0.00 C ATOM 236 CD GLN A 22 3.033 -6.904 -5.805 1.00 0.00 C ATOM 237 OE1 GLN A 22 3.555 -6.960 -6.900 1.00 0.00 O ATOM 238 NE2 GLN A 22 3.414 -5.976 -4.960 1.00 0.00 N ATOM 0 H GLN A 22 -0.648 -7.663 -2.704 1.00 0.00 H new ATOM 0 HA GLN A 22 1.423 -5.731 -3.240 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.414 -7.744 -3.316 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.911 -8.585 -3.638 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.305 -8.931 -5.578 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.071 -7.784 -6.063 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.983 -5.919 -4.037 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.141 -5.312 -5.226 1.00 0.00 H new ATOM 247 N GLU A 23 -0.990 -5.895 -5.367 1.00 0.00 N ATOM 248 CA GLU A 23 -1.483 -5.273 -6.630 1.00 0.00 C ATOM 249 C GLU A 23 -1.589 -3.765 -6.403 1.00 0.00 C ATOM 250 O GLU A 23 -1.289 -2.967 -7.266 1.00 0.00 O ATOM 251 CB GLU A 23 -2.861 -5.834 -6.986 1.00 0.00 C ATOM 252 CG GLU A 23 -3.331 -5.230 -8.310 1.00 0.00 C ATOM 253 CD GLU A 23 -3.599 -6.350 -9.316 1.00 0.00 C ATOM 254 OE1 GLU A 23 -3.014 -7.409 -9.162 1.00 0.00 O ATOM 255 OE2 GLU A 23 -4.384 -6.129 -10.224 1.00 0.00 O ATOM 0 H GLU A 23 -1.700 -6.361 -4.802 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.797 -5.491 -7.448 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.814 -6.920 -7.066 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.575 -5.603 -6.195 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.236 -4.644 -8.153 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.574 -4.550 -8.700 1.00 0.00 H new ATOM 262 N ILE A 24 -1.996 -3.386 -5.224 1.00 0.00 N ATOM 263 CA ILE A 24 -2.112 -1.940 -4.864 1.00 0.00 C ATOM 264 C ILE A 24 -0.726 -1.319 -4.902 1.00 0.00 C ATOM 265 O ILE A 24 -0.500 -0.293 -5.511 1.00 0.00 O ATOM 266 CB ILE A 24 -2.658 -1.854 -3.439 1.00 0.00 C ATOM 267 CG1 ILE A 24 -4.137 -2.238 -3.436 1.00 0.00 C ATOM 268 CG2 ILE A 24 -2.500 -0.435 -2.901 1.00 0.00 C ATOM 269 CD1 ILE A 24 -4.405 -3.202 -2.280 1.00 0.00 C ATOM 0 H ILE A 24 -2.259 -4.029 -4.478 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.770 -1.417 -5.558 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.099 -2.540 -2.802 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.756 -1.347 -3.333 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.406 -2.705 -4.384 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.892 -0.385 -1.885 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.444 -0.163 -2.896 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.050 0.259 -3.537 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.459 -3.479 -2.274 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.796 -4.097 -2.404 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.151 -2.718 -1.337 1.00 0.00 H new ATOM 281 N VAL A 25 0.195 -1.950 -4.249 1.00 0.00 N ATOM 282 CA VAL A 25 1.580 -1.445 -4.208 1.00 0.00 C ATOM 283 C VAL A 25 2.185 -1.533 -5.594 1.00 0.00 C ATOM 284 O VAL A 25 2.872 -0.649 -6.053 1.00 0.00 O ATOM 285 CB VAL A 25 2.341 -2.347 -3.278 1.00 0.00 C ATOM 286 CG1 VAL A 25 2.343 -3.721 -3.875 1.00 0.00 C ATOM 287 CG2 VAL A 25 3.768 -1.895 -3.140 1.00 0.00 C ATOM 0 H VAL A 25 0.041 -2.815 -3.730 1.00 0.00 H new ATOM 0 HA VAL A 25 1.614 -0.408 -3.873 1.00 0.00 H new ATOM 0 HB VAL A 25 1.870 -2.330 -2.295 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.889 -4.401 -3.221 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.317 -4.071 -3.986 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.824 -3.692 -4.853 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.298 -2.564 -2.462 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.251 -1.912 -4.117 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.791 -0.881 -2.741 1.00 0.00 H new ATOM 297 N ASP A 26 1.908 -2.605 -6.259 1.00 0.00 N ATOM 298 CA ASP A 26 2.423 -2.793 -7.637 1.00 0.00 C ATOM 299 C ASP A 26 1.645 -1.852 -8.541 1.00 0.00 C ATOM 300 O ASP A 26 2.024 -1.578 -9.663 1.00 0.00 O ATOM 301 CB ASP A 26 2.195 -4.238 -8.085 1.00 0.00 C ATOM 302 CG ASP A 26 2.683 -4.408 -9.526 1.00 0.00 C ATOM 303 OD1 ASP A 26 3.746 -3.895 -9.836 1.00 0.00 O ATOM 304 OD2 ASP A 26 1.984 -5.047 -10.295 1.00 0.00 O ATOM 0 H ASP A 26 1.338 -3.373 -5.905 1.00 0.00 H new ATOM 0 HA ASP A 26 3.492 -2.583 -7.681 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.728 -4.923 -7.426 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.136 -4.489 -8.016 1.00 0.00 H new ATOM 309 N LYS A 27 0.553 -1.347 -8.039 1.00 0.00 N ATOM 310 CA LYS A 27 -0.276 -0.403 -8.842 1.00 0.00 C ATOM 311 C LYS A 27 0.157 1.028 -8.527 1.00 0.00 C ATOM 312 O LYS A 27 -0.194 1.965 -9.218 1.00 0.00 O ATOM 313 CB LYS A 27 -1.755 -0.582 -8.488 1.00 0.00 C ATOM 314 CG LYS A 27 -2.395 -1.567 -9.466 1.00 0.00 C ATOM 315 CD LYS A 27 -2.582 -0.892 -10.826 1.00 0.00 C ATOM 316 CE LYS A 27 -3.748 0.096 -10.753 1.00 0.00 C ATOM 317 NZ LYS A 27 -3.250 1.475 -11.021 1.00 0.00 N ATOM 0 H LYS A 27 0.197 -1.547 -7.104 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.138 -0.606 -9.904 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.854 -0.950 -7.467 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.270 0.378 -8.532 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.766 -2.451 -9.571 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.357 -1.904 -9.081 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.669 -0.371 -11.113 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.776 -1.643 -11.592 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.513 -0.174 -11.481 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.215 0.052 -9.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.043 2.146 -10.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.535 1.730 -10.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.824 1.512 -11.969 1.00 0.00 H new ATOM 331 N VAL A 28 0.915 1.200 -7.481 1.00 0.00 N ATOM 332 CA VAL A 28 1.373 2.563 -7.101 1.00 0.00 C ATOM 333 C VAL A 28 2.904 2.639 -7.195 1.00 0.00 C ATOM 334 O VAL A 28 3.488 3.690 -7.054 1.00 0.00 O ATOM 335 CB VAL A 28 0.931 2.842 -5.670 1.00 0.00 C ATOM 336 CG1 VAL A 28 -0.602 2.834 -5.600 1.00 0.00 C ATOM 337 CG2 VAL A 28 1.490 1.744 -4.765 1.00 0.00 C ATOM 0 H VAL A 28 1.238 0.450 -6.870 1.00 0.00 H new ATOM 0 HA VAL A 28 0.941 3.303 -7.775 1.00 0.00 H new ATOM 0 HB VAL A 28 1.299 3.815 -5.346 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.921 3.033 -4.577 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.000 3.604 -6.261 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.975 1.859 -5.913 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.182 1.929 -3.736 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.108 0.776 -5.089 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.578 1.743 -4.824 1.00 0.00 H new ATOM 347 N LYS A 29 3.552 1.528 -7.439 1.00 0.00 N ATOM 348 CA LYS A 29 5.038 1.526 -7.553 1.00 0.00 C ATOM 349 C LYS A 29 5.496 2.693 -8.443 1.00 0.00 C ATOM 350 O LYS A 29 6.385 3.429 -8.064 1.00 0.00 O ATOM 351 CB LYS A 29 5.493 0.178 -8.141 1.00 0.00 C ATOM 352 CG LYS A 29 6.844 0.323 -8.849 1.00 0.00 C ATOM 353 CD LYS A 29 7.180 -0.982 -9.573 1.00 0.00 C ATOM 354 CE LYS A 29 8.436 -1.603 -8.961 1.00 0.00 C ATOM 355 NZ LYS A 29 9.572 -1.471 -9.916 1.00 0.00 N ATOM 0 H LYS A 29 3.110 0.617 -7.565 1.00 0.00 H new ATOM 0 HA LYS A 29 5.487 1.654 -6.568 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.572 -0.563 -7.346 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.746 -0.188 -8.845 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.808 1.148 -9.561 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.623 0.561 -8.125 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.344 -1.677 -9.496 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.338 -0.790 -10.634 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.678 -1.108 -8.021 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.260 -2.654 -8.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.413 -1.938 -9.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.319 -1.919 -10.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.777 -0.464 -10.074 1.00 0.00 H new ATOM 369 N PRO A 30 4.881 2.842 -9.593 1.00 0.00 N ATOM 370 CA PRO A 30 5.232 3.930 -10.519 1.00 0.00 C ATOM 371 C PRO A 30 4.699 5.249 -9.965 1.00 0.00 C ATOM 372 O PRO A 30 5.272 6.300 -10.172 1.00 0.00 O ATOM 373 CB PRO A 30 4.553 3.534 -11.833 1.00 0.00 C ATOM 374 CG PRO A 30 3.422 2.551 -11.456 1.00 0.00 C ATOM 375 CD PRO A 30 3.787 1.968 -10.076 1.00 0.00 C ATOM 0 HA PRO A 30 6.304 4.070 -10.658 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.153 4.410 -12.344 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.265 3.066 -12.513 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.460 3.063 -11.418 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.333 1.759 -12.200 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.934 1.985 -9.398 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.111 0.930 -10.155 1.00 0.00 H new ATOM 383 N GLN A 31 3.626 5.191 -9.225 1.00 0.00 N ATOM 384 CA GLN A 31 3.080 6.431 -8.616 1.00 0.00 C ATOM 385 C GLN A 31 3.907 6.754 -7.373 1.00 0.00 C ATOM 386 O GLN A 31 3.724 7.769 -6.732 1.00 0.00 O ATOM 387 CB GLN A 31 1.619 6.210 -8.210 1.00 0.00 C ATOM 388 CG GLN A 31 0.759 6.028 -9.462 1.00 0.00 C ATOM 389 CD GLN A 31 -0.526 5.281 -9.100 1.00 0.00 C ATOM 390 OE1 GLN A 31 -1.159 4.693 -9.951 1.00 0.00 O ATOM 391 NE2 GLN A 31 -0.940 5.281 -7.862 1.00 0.00 N ATOM 0 H GLN A 31 3.106 4.338 -9.017 1.00 0.00 H new ATOM 0 HA GLN A 31 3.128 7.252 -9.331 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.538 5.331 -7.570 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.260 7.060 -7.630 1.00 0.00 H new ATOM 0 HG2 GLN A 31 0.517 6.999 -9.893 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.313 5.472 -10.218 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.408 5.776 -7.146 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.796 4.786 -7.610 1.00 0.00 H new ATOM 400 N LEU A 32 4.821 5.884 -7.032 1.00 0.00 N ATOM 401 CA LEU A 32 5.671 6.110 -5.839 1.00 0.00 C ATOM 402 C LEU A 32 7.009 6.694 -6.285 1.00 0.00 C ATOM 403 O LEU A 32 7.548 7.590 -5.672 1.00 0.00 O ATOM 404 CB LEU A 32 5.899 4.772 -5.143 1.00 0.00 C ATOM 405 CG LEU A 32 4.872 4.619 -4.026 1.00 0.00 C ATOM 406 CD1 LEU A 32 4.622 3.141 -3.774 1.00 0.00 C ATOM 407 CD2 LEU A 32 5.399 5.274 -2.747 1.00 0.00 C ATOM 0 H LEU A 32 5.012 5.019 -7.538 1.00 0.00 H new ATOM 0 HA LEU A 32 5.186 6.804 -5.152 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.805 3.954 -5.857 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.909 4.725 -4.736 1.00 0.00 H new ATOM 0 HG LEU A 32 3.941 5.104 -4.320 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.888 3.027 -2.976 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.244 2.676 -4.684 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.555 2.659 -3.481 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.663 5.163 -1.951 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.331 4.793 -2.449 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.580 6.333 -2.929 1.00 0.00 H new ATOM 419 N GLU A 33 7.544 6.183 -7.358 1.00 0.00 N ATOM 420 CA GLU A 33 8.851 6.683 -7.868 1.00 0.00 C ATOM 421 C GLU A 33 8.721 8.134 -8.342 1.00 0.00 C ATOM 422 O GLU A 33 9.694 8.858 -8.424 1.00 0.00 O ATOM 423 CB GLU A 33 9.290 5.813 -9.046 1.00 0.00 C ATOM 424 CG GLU A 33 10.362 4.826 -8.586 1.00 0.00 C ATOM 425 CD GLU A 33 10.174 3.491 -9.310 1.00 0.00 C ATOM 426 OE1 GLU A 33 9.060 2.993 -9.313 1.00 0.00 O ATOM 427 OE2 GLU A 33 11.146 2.991 -9.850 1.00 0.00 O ATOM 0 H GLU A 33 7.127 5.433 -7.909 1.00 0.00 H new ATOM 0 HA GLU A 33 9.586 6.637 -7.065 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.434 5.273 -9.450 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.679 6.440 -9.848 1.00 0.00 H new ATOM 0 HG2 GLU A 33 11.354 5.228 -8.794 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.297 4.679 -7.508 1.00 0.00 H new ATOM 434 N GLU A 34 7.534 8.565 -8.671 1.00 0.00 N ATOM 435 CA GLU A 34 7.361 9.964 -9.155 1.00 0.00 C ATOM 436 C GLU A 34 6.993 10.886 -7.988 1.00 0.00 C ATOM 437 O GLU A 34 7.404 12.029 -7.938 1.00 0.00 O ATOM 438 CB GLU A 34 6.250 10.004 -10.206 1.00 0.00 C ATOM 439 CG GLU A 34 6.862 10.246 -11.589 1.00 0.00 C ATOM 440 CD GLU A 34 6.043 11.304 -12.332 1.00 0.00 C ATOM 441 OE1 GLU A 34 5.299 12.014 -11.677 1.00 0.00 O ATOM 442 OE2 GLU A 34 6.176 11.386 -13.542 1.00 0.00 O ATOM 0 H GLU A 34 6.679 8.011 -8.626 1.00 0.00 H new ATOM 0 HA GLU A 34 8.298 10.306 -9.595 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.696 9.065 -10.201 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.538 10.795 -9.968 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.896 10.576 -11.488 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.878 9.317 -12.159 1.00 0.00 H new ATOM 449 N LYS A 35 6.215 10.410 -7.056 1.00 0.00 N ATOM 450 CA LYS A 35 5.819 11.275 -5.907 1.00 0.00 C ATOM 451 C LYS A 35 7.004 11.461 -4.958 1.00 0.00 C ATOM 452 O LYS A 35 7.377 12.570 -4.629 1.00 0.00 O ATOM 453 CB LYS A 35 4.662 10.626 -5.149 1.00 0.00 C ATOM 454 CG LYS A 35 3.580 11.674 -4.884 1.00 0.00 C ATOM 455 CD LYS A 35 4.160 12.795 -4.018 1.00 0.00 C ATOM 456 CE LYS A 35 3.282 14.042 -4.141 1.00 0.00 C ATOM 457 NZ LYS A 35 4.146 15.243 -4.323 1.00 0.00 N ATOM 0 H LYS A 35 5.837 9.463 -7.039 1.00 0.00 H new ATOM 0 HA LYS A 35 5.507 12.247 -6.288 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.250 9.800 -5.729 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.018 10.208 -4.207 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.213 12.080 -5.827 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.729 11.215 -4.382 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.212 12.475 -2.977 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.179 13.022 -4.333 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.602 13.939 -4.986 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.666 14.156 -3.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.549 16.091 -4.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.778 15.344 -3.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.715 15.134 -5.187 1.00 0.00 H new ATOM 471 N THR A 36 7.598 10.389 -4.510 1.00 0.00 N ATOM 472 CA THR A 36 8.755 10.515 -3.579 1.00 0.00 C ATOM 473 C THR A 36 10.020 10.868 -4.370 1.00 0.00 C ATOM 474 O THR A 36 11.109 10.905 -3.831 1.00 0.00 O ATOM 475 CB THR A 36 8.967 9.191 -2.844 1.00 0.00 C ATOM 476 OG1 THR A 36 10.055 9.317 -1.939 1.00 0.00 O ATOM 477 CG2 THR A 36 9.270 8.093 -3.858 1.00 0.00 C ATOM 0 H THR A 36 7.333 9.433 -4.748 1.00 0.00 H new ATOM 0 HA THR A 36 8.550 11.304 -2.856 1.00 0.00 H new ATOM 0 HB THR A 36 8.065 8.935 -2.288 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.791 9.794 -2.376 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.422 7.148 -3.337 1.00 0.00 H new ATOM 0 HG22 THR A 36 8.433 7.996 -4.550 1.00 0.00 H new ATOM 0 HG23 THR A 36 10.172 8.350 -4.414 1.00 0.00 H new ATOM 485 N ASN A 37 9.886 11.129 -5.644 1.00 0.00 N ATOM 486 CA ASN A 37 11.075 11.482 -6.470 1.00 0.00 C ATOM 487 C ASN A 37 12.243 10.557 -6.116 1.00 0.00 C ATOM 488 O ASN A 37 13.370 10.986 -5.982 1.00 0.00 O ATOM 489 CB ASN A 37 11.465 12.941 -6.206 1.00 0.00 C ATOM 490 CG ASN A 37 12.109 13.068 -4.823 1.00 0.00 C ATOM 491 OD1 ASN A 37 11.422 13.203 -3.829 1.00 0.00 O ATOM 492 ND2 ASN A 37 13.409 13.041 -4.716 1.00 0.00 N ATOM 0 H ASN A 37 9.000 11.112 -6.149 1.00 0.00 H new ATOM 0 HA ASN A 37 10.833 11.360 -7.526 1.00 0.00 H new ATOM 0 HB2 ASN A 37 12.159 13.285 -6.973 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.583 13.578 -6.266 1.00 0.00 H new ATOM 0 HD21 ASN A 37 13.847 13.133 -3.800 1.00 0.00 H new ATOM 0 HD22 ASN A 37 13.987 12.928 -5.549 1.00 0.00 H new ATOM 499 N GLU A 38 11.981 9.288 -5.963 1.00 0.00 N ATOM 500 CA GLU A 38 13.071 8.337 -5.619 1.00 0.00 C ATOM 501 C GLU A 38 12.878 7.044 -6.425 1.00 0.00 C ATOM 502 O GLU A 38 11.802 6.760 -6.910 1.00 0.00 O ATOM 503 CB GLU A 38 13.020 8.057 -4.107 1.00 0.00 C ATOM 504 CG GLU A 38 13.532 6.647 -3.804 1.00 0.00 C ATOM 505 CD GLU A 38 13.815 6.516 -2.306 1.00 0.00 C ATOM 506 OE1 GLU A 38 13.209 7.251 -1.542 1.00 0.00 O ATOM 507 OE2 GLU A 38 14.631 5.684 -1.947 1.00 0.00 O ATOM 0 H GLU A 38 11.056 8.869 -6.062 1.00 0.00 H new ATOM 0 HA GLU A 38 14.046 8.757 -5.867 1.00 0.00 H new ATOM 0 HB2 GLU A 38 13.624 8.792 -3.575 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.997 8.164 -3.746 1.00 0.00 H new ATOM 0 HG2 GLU A 38 12.793 5.907 -4.111 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.439 6.448 -4.375 1.00 0.00 H new ATOM 514 N THR A 39 13.917 6.265 -6.578 1.00 0.00 N ATOM 515 CA THR A 39 13.791 5.002 -7.363 1.00 0.00 C ATOM 516 C THR A 39 13.496 3.824 -6.427 1.00 0.00 C ATOM 517 O THR A 39 14.130 3.651 -5.405 1.00 0.00 O ATOM 518 CB THR A 39 15.095 4.740 -8.121 1.00 0.00 C ATOM 519 OG1 THR A 39 15.837 5.952 -8.210 1.00 0.00 O ATOM 520 CG2 THR A 39 14.774 4.228 -9.529 1.00 0.00 C ATOM 0 H THR A 39 14.844 6.448 -6.195 1.00 0.00 H new ATOM 0 HA THR A 39 12.969 5.105 -8.072 1.00 0.00 H new ATOM 0 HB THR A 39 15.683 3.991 -7.591 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.674 5.789 -8.693 1.00 0.00 H new ATOM 0 HG21 THR A 39 15.702 4.041 -10.069 1.00 0.00 H new ATOM 0 HG22 THR A 39 14.203 3.302 -9.458 1.00 0.00 H new ATOM 0 HG23 THR A 39 14.188 4.976 -10.063 1.00 0.00 H new ATOM 528 N TYR A 40 12.538 3.009 -6.782 1.00 0.00 N ATOM 529 CA TYR A 40 12.191 1.829 -5.937 1.00 0.00 C ATOM 530 C TYR A 40 12.317 0.557 -6.773 1.00 0.00 C ATOM 531 O TYR A 40 12.836 0.567 -7.871 1.00 0.00 O ATOM 532 CB TYR A 40 10.742 1.942 -5.449 1.00 0.00 C ATOM 533 CG TYR A 40 10.580 3.125 -4.524 1.00 0.00 C ATOM 534 CD1 TYR A 40 11.584 3.458 -3.605 1.00 0.00 C ATOM 535 CD2 TYR A 40 9.406 3.885 -4.581 1.00 0.00 C ATOM 536 CE1 TYR A 40 11.410 4.551 -2.747 1.00 0.00 C ATOM 537 CE2 TYR A 40 9.232 4.973 -3.724 1.00 0.00 C ATOM 538 CZ TYR A 40 10.233 5.308 -2.807 1.00 0.00 C ATOM 539 OH TYR A 40 10.060 6.382 -1.958 1.00 0.00 O ATOM 0 H TYR A 40 11.977 3.111 -7.628 1.00 0.00 H new ATOM 0 HA TYR A 40 12.868 1.795 -5.083 1.00 0.00 H new ATOM 0 HB2 TYR A 40 10.073 2.048 -6.303 1.00 0.00 H new ATOM 0 HB3 TYR A 40 10.455 1.027 -4.931 1.00 0.00 H new ATOM 0 HD1 TYR A 40 12.490 2.873 -3.558 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.633 3.629 -5.290 1.00 0.00 H new ATOM 0 HE1 TYR A 40 12.183 4.810 -2.039 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.324 5.556 -3.769 1.00 0.00 H new ATOM 0 HH TYR A 40 9.102 6.546 -1.829 1.00 0.00 H new ATOM 549 N GLY A 43 11.832 -0.536 -6.261 1.00 0.00 N ATOM 550 CA GLY A 43 11.901 -1.819 -7.017 1.00 0.00 C ATOM 551 C GLY A 43 10.635 -2.631 -6.737 1.00 0.00 C ATOM 552 O GLY A 43 9.703 -2.146 -6.130 1.00 0.00 O ATOM 0 H GLY A 43 11.387 -0.599 -5.345 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.993 -1.622 -8.085 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.784 -2.384 -6.720 1.00 0.00 H new ATOM 556 N LYS A 44 10.592 -3.862 -7.170 1.00 0.00 N ATOM 557 CA LYS A 44 9.390 -4.700 -6.918 1.00 0.00 C ATOM 558 C LYS A 44 8.944 -4.505 -5.475 1.00 0.00 C ATOM 559 O LYS A 44 9.752 -4.492 -4.567 1.00 0.00 O ATOM 560 CB LYS A 44 9.746 -6.169 -7.135 1.00 0.00 C ATOM 561 CG LYS A 44 10.020 -6.415 -8.618 1.00 0.00 C ATOM 562 CD LYS A 44 11.516 -6.656 -8.827 1.00 0.00 C ATOM 563 CE LYS A 44 11.716 -7.880 -9.720 1.00 0.00 C ATOM 564 NZ LYS A 44 12.680 -7.549 -10.806 1.00 0.00 N ATOM 0 H LYS A 44 11.340 -4.322 -7.688 1.00 0.00 H new ATOM 0 HA LYS A 44 8.589 -4.411 -7.598 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.623 -6.432 -6.544 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.929 -6.806 -6.795 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.450 -7.276 -8.966 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.693 -5.558 -9.206 1.00 0.00 H new ATOM 0 HD2 LYS A 44 11.976 -5.780 -9.285 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.008 -6.809 -7.867 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.090 -8.717 -9.130 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.763 -8.191 -10.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.817 -8.381 -11.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.306 -6.762 -11.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.591 -7.272 -10.389 1.00 0.00 H new ATOM 578 N LEU A 45 7.672 -4.352 -5.244 1.00 0.00 N ATOM 579 CA LEU A 45 7.207 -4.159 -3.856 1.00 0.00 C ATOM 580 C LEU A 45 6.496 -5.425 -3.393 1.00 0.00 C ATOM 581 O LEU A 45 5.293 -5.546 -3.489 1.00 0.00 O ATOM 582 CB LEU A 45 6.277 -2.957 -3.828 1.00 0.00 C ATOM 583 CG LEU A 45 6.977 -1.826 -4.578 1.00 0.00 C ATOM 584 CD1 LEU A 45 6.122 -0.553 -4.552 1.00 0.00 C ATOM 585 CD2 LEU A 45 8.333 -1.577 -3.905 1.00 0.00 C ATOM 0 H LEU A 45 6.942 -4.353 -5.956 1.00 0.00 H new ATOM 0 HA LEU A 45 8.042 -3.972 -3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.323 -3.198 -4.298 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.061 -2.662 -2.801 1.00 0.00 H new ATOM 0 HG LEU A 45 7.123 -2.103 -5.622 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.637 0.242 -5.091 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.161 -0.750 -5.027 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.960 -0.245 -3.519 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.854 -0.772 -4.423 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.176 -1.297 -2.863 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.934 -2.486 -3.950 1.00 0.00 H new ATOM 597 N GLU A 46 7.246 -6.379 -2.904 1.00 0.00 N ATOM 598 CA GLU A 46 6.632 -7.656 -2.447 1.00 0.00 C ATOM 599 C GLU A 46 5.799 -7.402 -1.196 1.00 0.00 C ATOM 600 O GLU A 46 6.255 -7.582 -0.086 1.00 0.00 O ATOM 601 CB GLU A 46 7.735 -8.668 -2.133 1.00 0.00 C ATOM 602 CG GLU A 46 7.705 -9.782 -3.177 1.00 0.00 C ATOM 603 CD GLU A 46 8.449 -9.327 -4.432 1.00 0.00 C ATOM 604 OE1 GLU A 46 9.646 -9.553 -4.501 1.00 0.00 O ATOM 605 OE2 GLU A 46 7.810 -8.763 -5.305 1.00 0.00 O ATOM 0 H GLU A 46 8.260 -6.326 -2.802 1.00 0.00 H new ATOM 0 HA GLU A 46 5.990 -8.053 -3.233 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.708 -8.176 -2.136 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.591 -9.084 -1.136 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.167 -10.684 -2.775 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.674 -10.035 -3.424 1.00 0.00 H new ATOM 612 N ALA A 47 4.578 -6.986 -1.370 1.00 0.00 N ATOM 613 CA ALA A 47 3.714 -6.714 -0.196 1.00 0.00 C ATOM 614 C ALA A 47 3.869 -7.825 0.831 1.00 0.00 C ATOM 615 O ALA A 47 3.779 -9.000 0.533 1.00 0.00 O ATOM 616 CB ALA A 47 2.262 -6.607 -0.642 1.00 0.00 C ATOM 0 H ALA A 47 4.142 -6.823 -2.278 1.00 0.00 H new ATOM 0 HA ALA A 47 4.015 -5.771 0.261 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.629 -6.407 0.223 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.161 -5.794 -1.361 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.954 -7.543 -1.108 1.00 0.00 H new ATOM 622 N VAL A 48 4.111 -7.435 2.041 1.00 0.00 N ATOM 623 CA VAL A 48 4.293 -8.407 3.143 1.00 0.00 C ATOM 624 C VAL A 48 3.036 -8.399 3.999 1.00 0.00 C ATOM 625 O VAL A 48 2.510 -9.432 4.362 1.00 0.00 O ATOM 626 CB VAL A 48 5.507 -7.952 3.972 1.00 0.00 C ATOM 627 CG1 VAL A 48 5.303 -8.254 5.463 1.00 0.00 C ATOM 628 CG2 VAL A 48 6.760 -8.673 3.479 1.00 0.00 C ATOM 0 H VAL A 48 4.193 -6.458 2.321 1.00 0.00 H new ATOM 0 HA VAL A 48 4.462 -9.416 2.767 1.00 0.00 H new ATOM 0 HB VAL A 48 5.620 -6.875 3.849 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.176 -7.922 6.024 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.419 -7.728 5.823 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.169 -9.327 5.602 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.620 -8.351 4.066 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.628 -9.749 3.590 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.928 -8.434 2.429 1.00 0.00 H new ATOM 638 N GLN A 49 2.561 -7.233 4.326 1.00 0.00 N ATOM 639 CA GLN A 49 1.334 -7.137 5.171 1.00 0.00 C ATOM 640 C GLN A 49 0.544 -5.899 4.759 1.00 0.00 C ATOM 641 O GLN A 49 1.040 -5.058 4.043 1.00 0.00 O ATOM 642 CB GLN A 49 1.741 -7.014 6.640 1.00 0.00 C ATOM 643 CG GLN A 49 2.222 -8.372 7.157 1.00 0.00 C ATOM 644 CD GLN A 49 1.349 -8.809 8.335 1.00 0.00 C ATOM 645 OE1 GLN A 49 0.413 -9.563 8.164 1.00 0.00 O ATOM 646 NE2 GLN A 49 1.618 -8.362 9.530 1.00 0.00 N ATOM 0 H GLN A 49 2.967 -6.340 4.046 1.00 0.00 H new ATOM 0 HA GLN A 49 0.720 -8.028 5.037 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.532 -6.272 6.747 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.896 -6.667 7.234 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.174 -9.114 6.360 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.265 -8.306 7.468 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.405 -7.729 9.672 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.042 -8.646 10.322 1.00 0.00 H new ATOM 655 N TYR A 50 -0.679 -5.764 5.192 1.00 0.00 N ATOM 656 CA TYR A 50 -1.436 -4.560 4.796 1.00 0.00 C ATOM 657 C TYR A 50 -2.620 -4.320 5.716 1.00 0.00 C ATOM 658 O TYR A 50 -3.351 -5.223 6.079 1.00 0.00 O ATOM 659 CB TYR A 50 -1.906 -4.705 3.370 1.00 0.00 C ATOM 660 CG TYR A 50 -3.251 -5.388 3.277 1.00 0.00 C ATOM 661 CD1 TYR A 50 -3.343 -6.778 3.385 1.00 0.00 C ATOM 662 CD2 TYR A 50 -4.405 -4.624 3.063 1.00 0.00 C ATOM 663 CE1 TYR A 50 -4.589 -7.406 3.282 1.00 0.00 C ATOM 664 CE2 TYR A 50 -5.651 -5.253 2.960 1.00 0.00 C ATOM 665 CZ TYR A 50 -5.743 -6.644 3.067 1.00 0.00 C ATOM 666 OH TYR A 50 -6.972 -7.265 2.967 1.00 0.00 O ATOM 0 H TYR A 50 -1.173 -6.425 5.791 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.774 -3.698 4.878 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.968 -3.720 2.908 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.171 -5.276 2.804 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -2.453 -7.367 3.548 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.333 -3.550 2.977 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.660 -8.480 3.369 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.542 -4.664 2.798 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.668 -6.591 2.819 1.00 0.00 H new ATOM 676 N LYS A 51 -2.814 -3.092 6.073 1.00 0.00 N ATOM 677 CA LYS A 51 -3.962 -2.734 6.955 1.00 0.00 C ATOM 678 C LYS A 51 -5.063 -2.080 6.105 1.00 0.00 C ATOM 679 O LYS A 51 -4.837 -1.092 5.434 1.00 0.00 O ATOM 680 CB LYS A 51 -3.499 -1.753 8.036 1.00 0.00 C ATOM 681 CG LYS A 51 -3.247 -2.508 9.341 1.00 0.00 C ATOM 682 CD LYS A 51 -2.257 -1.722 10.203 1.00 0.00 C ATOM 683 CE LYS A 51 -2.797 -1.613 11.629 1.00 0.00 C ATOM 684 NZ LYS A 51 -1.716 -1.956 12.596 1.00 0.00 N ATOM 0 H LYS A 51 -2.225 -2.308 5.793 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.350 -3.634 7.433 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.588 -1.247 7.716 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.255 -0.983 8.190 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.184 -2.647 9.880 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.852 -3.501 9.128 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.287 -2.220 10.207 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.103 -0.728 9.784 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.160 -0.602 11.816 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.645 -2.285 11.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.815 -1.370 13.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.788 -2.961 12.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.789 -1.777 12.159 1.00 0.00 H new ATOM 698 N THR A 52 -6.250 -2.630 6.125 1.00 0.00 N ATOM 699 CA THR A 52 -7.370 -2.050 5.317 1.00 0.00 C ATOM 700 C THR A 52 -7.813 -0.718 5.918 1.00 0.00 C ATOM 701 O THR A 52 -7.208 -0.200 6.835 1.00 0.00 O ATOM 702 CB THR A 52 -8.555 -3.018 5.322 1.00 0.00 C ATOM 703 OG1 THR A 52 -8.916 -3.317 6.664 1.00 0.00 O ATOM 704 CG2 THR A 52 -8.170 -4.309 4.597 1.00 0.00 C ATOM 0 H THR A 52 -6.495 -3.459 6.667 1.00 0.00 H new ATOM 0 HA THR A 52 -7.024 -1.889 4.296 1.00 0.00 H new ATOM 0 HB THR A 52 -9.400 -2.557 4.811 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.676 -3.936 6.668 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.016 -4.996 4.603 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.895 -4.080 3.567 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.323 -4.772 5.104 1.00 0.00 H new ATOM 712 N GLN A 53 -8.867 -0.159 5.392 1.00 0.00 N ATOM 713 CA GLN A 53 -9.370 1.146 5.905 1.00 0.00 C ATOM 714 C GLN A 53 -10.811 1.337 5.439 1.00 0.00 C ATOM 715 O GLN A 53 -11.174 0.929 4.356 1.00 0.00 O ATOM 716 CB GLN A 53 -8.533 2.270 5.307 1.00 0.00 C ATOM 717 CG GLN A 53 -7.525 2.806 6.321 1.00 0.00 C ATOM 718 CD GLN A 53 -8.057 4.102 6.936 1.00 0.00 C ATOM 719 OE1 GLN A 53 -7.795 5.178 6.435 1.00 0.00 O ATOM 720 NE2 GLN A 53 -8.797 4.048 8.009 1.00 0.00 N ATOM 0 H GLN A 53 -9.406 -0.554 4.622 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.310 1.160 6.993 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.007 1.906 4.425 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -9.186 3.078 4.977 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.350 2.066 7.102 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.567 2.989 5.835 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -9.018 3.146 8.431 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.154 4.908 8.426 1.00 0.00 H new ATOM 729 N VAL A 54 -11.640 1.961 6.228 1.00 0.00 N ATOM 730 CA VAL A 54 -13.037 2.170 5.785 1.00 0.00 C ATOM 731 C VAL A 54 -13.419 3.652 5.910 1.00 0.00 C ATOM 732 O VAL A 54 -13.076 4.320 6.865 1.00 0.00 O ATOM 733 CB VAL A 54 -13.965 1.297 6.615 1.00 0.00 C ATOM 734 CG1 VAL A 54 -14.486 2.074 7.818 1.00 0.00 C ATOM 735 CG2 VAL A 54 -15.140 0.858 5.737 1.00 0.00 C ATOM 0 H VAL A 54 -11.410 2.330 7.151 1.00 0.00 H new ATOM 0 HA VAL A 54 -13.133 1.887 4.737 1.00 0.00 H new ATOM 0 HB VAL A 54 -13.419 0.425 6.976 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -15.149 1.437 8.403 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -13.647 2.391 8.438 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -15.035 2.951 7.475 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -15.815 0.231 6.319 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -15.678 1.737 5.382 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -14.765 0.293 4.883 1.00 0.00 H new ATOM 745 N VAL A 55 -14.130 4.159 4.945 1.00 0.00 N ATOM 746 CA VAL A 55 -14.549 5.588 4.979 1.00 0.00 C ATOM 747 C VAL A 55 -15.558 5.807 3.848 1.00 0.00 C ATOM 748 O VAL A 55 -16.710 5.436 3.950 1.00 0.00 O ATOM 749 CB VAL A 55 -13.320 6.478 4.767 1.00 0.00 C ATOM 750 CG1 VAL A 55 -12.634 6.738 6.109 1.00 0.00 C ATOM 751 CG2 VAL A 55 -12.335 5.770 3.832 1.00 0.00 C ATOM 0 H VAL A 55 -14.443 3.640 4.125 1.00 0.00 H new ATOM 0 HA VAL A 55 -15.002 5.839 5.938 1.00 0.00 H new ATOM 0 HB VAL A 55 -13.634 7.425 4.327 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -11.760 7.371 5.954 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -13.330 7.238 6.783 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -12.322 5.790 6.548 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.460 6.402 3.680 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -12.027 4.824 4.277 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -12.816 5.580 2.873 1.00 0.00 H new ATOM 761 N ALA A 56 -15.120 6.362 2.753 1.00 0.00 N ATOM 762 CA ALA A 56 -16.030 6.553 1.595 1.00 0.00 C ATOM 763 C ALA A 56 -15.694 5.453 0.594 1.00 0.00 C ATOM 764 O ALA A 56 -15.804 5.611 -0.606 1.00 0.00 O ATOM 765 CB ALA A 56 -15.776 7.920 0.972 1.00 0.00 C ATOM 0 H ALA A 56 -14.165 6.693 2.612 1.00 0.00 H new ATOM 0 HA ALA A 56 -17.077 6.504 1.894 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -16.443 8.062 0.122 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -15.962 8.698 1.713 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.741 7.980 0.635 1.00 0.00 H new ATOM 771 N GLY A 57 -15.243 4.348 1.113 1.00 0.00 N ATOM 772 CA GLY A 57 -14.830 3.193 0.272 1.00 0.00 C ATOM 773 C GLY A 57 -13.880 2.364 1.117 1.00 0.00 C ATOM 774 O GLY A 57 -14.246 1.849 2.154 1.00 0.00 O ATOM 0 H GLY A 57 -15.141 4.193 2.116 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -15.696 2.604 -0.030 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.341 3.533 -0.641 1.00 0.00 H new ATOM 778 N THR A 58 -12.655 2.263 0.715 1.00 0.00 N ATOM 779 CA THR A 58 -11.681 1.500 1.549 1.00 0.00 C ATOM 780 C THR A 58 -10.245 1.849 1.163 1.00 0.00 C ATOM 781 O THR A 58 -9.773 1.503 0.099 1.00 0.00 O ATOM 782 CB THR A 58 -11.894 -0.005 1.388 1.00 0.00 C ATOM 783 OG1 THR A 58 -13.262 -0.316 1.619 1.00 0.00 O ATOM 784 CG2 THR A 58 -11.017 -0.743 2.407 1.00 0.00 C ATOM 0 H THR A 58 -12.281 2.667 -0.143 1.00 0.00 H new ATOM 0 HA THR A 58 -11.849 1.778 2.590 1.00 0.00 H new ATOM 0 HB THR A 58 -11.622 -0.313 0.378 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.635 0.314 2.270 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.162 -1.818 2.300 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.970 -0.498 2.230 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.296 -0.438 3.416 1.00 0.00 H new ATOM 792 N ASN A 59 -9.534 2.513 2.040 1.00 0.00 N ATOM 793 CA ASN A 59 -8.137 2.861 1.760 1.00 0.00 C ATOM 794 C ASN A 59 -7.285 1.618 1.982 1.00 0.00 C ATOM 795 O ASN A 59 -7.794 0.529 2.159 1.00 0.00 O ATOM 796 CB ASN A 59 -7.713 3.955 2.733 1.00 0.00 C ATOM 797 CG ASN A 59 -8.564 5.206 2.526 1.00 0.00 C ATOM 798 OD1 ASN A 59 -8.612 5.753 1.443 1.00 0.00 O ATOM 799 ND2 ASN A 59 -9.243 5.685 3.534 1.00 0.00 N ATOM 0 H ASN A 59 -9.881 2.826 2.947 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.016 3.214 0.736 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.819 3.600 3.758 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.660 4.195 2.585 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.815 6.520 3.412 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.201 5.223 4.443 1.00 0.00 H new ATOM 806 N TYR A 60 -6.000 1.768 1.989 1.00 0.00 N ATOM 807 CA TYR A 60 -5.127 0.588 2.216 1.00 0.00 C ATOM 808 C TYR A 60 -3.839 1.021 2.901 1.00 0.00 C ATOM 809 O TYR A 60 -3.416 2.155 2.813 1.00 0.00 O ATOM 810 CB TYR A 60 -4.741 -0.067 0.887 1.00 0.00 C ATOM 811 CG TYR A 60 -5.960 -0.373 0.056 1.00 0.00 C ATOM 812 CD1 TYR A 60 -6.610 0.654 -0.629 1.00 0.00 C ATOM 813 CD2 TYR A 60 -6.423 -1.688 -0.048 1.00 0.00 C ATOM 814 CE1 TYR A 60 -7.724 0.373 -1.420 1.00 0.00 C ATOM 815 CE2 TYR A 60 -7.541 -1.973 -0.837 1.00 0.00 C ATOM 816 CZ TYR A 60 -8.193 -0.945 -1.526 1.00 0.00 C ATOM 817 OH TYR A 60 -9.294 -1.230 -2.307 1.00 0.00 O ATOM 0 H TYR A 60 -5.513 2.653 1.848 1.00 0.00 H new ATOM 0 HA TYR A 60 -5.681 -0.118 2.835 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.076 0.595 0.332 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.188 -0.987 1.079 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.250 1.669 -0.547 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.917 -2.483 0.481 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -8.225 1.169 -1.950 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -7.902 -2.988 -0.915 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.482 -2.191 -2.269 1.00 0.00 H new ATOM 827 N TYR A 61 -3.196 0.088 3.524 1.00 0.00 N ATOM 828 CA TYR A 61 -1.893 0.334 4.187 1.00 0.00 C ATOM 829 C TYR A 61 -1.092 -0.908 3.874 1.00 0.00 C ATOM 830 O TYR A 61 -1.628 -1.989 3.895 1.00 0.00 O ATOM 831 CB TYR A 61 -2.073 0.482 5.702 1.00 0.00 C ATOM 832 CG TYR A 61 -2.954 1.671 6.010 1.00 0.00 C ATOM 833 CD1 TYR A 61 -2.889 2.822 5.218 1.00 0.00 C ATOM 834 CD2 TYR A 61 -3.834 1.619 7.095 1.00 0.00 C ATOM 835 CE1 TYR A 61 -3.706 3.920 5.512 1.00 0.00 C ATOM 836 CE2 TYR A 61 -4.648 2.717 7.391 1.00 0.00 C ATOM 837 CZ TYR A 61 -4.583 3.869 6.599 1.00 0.00 C ATOM 838 OH TYR A 61 -5.386 4.952 6.890 1.00 0.00 O ATOM 0 H TYR A 61 -3.531 -0.872 3.605 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.414 1.251 3.844 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.517 -0.425 6.113 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.102 0.606 6.180 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.209 2.864 4.380 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -3.885 0.730 7.706 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -3.659 4.807 4.898 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.326 2.676 8.230 1.00 0.00 H new ATOM 0 HH TYR A 61 -6.021 5.095 6.157 1.00 0.00 H new ATOM 848 N ILE A 62 0.145 -0.815 3.512 1.00 0.00 N ATOM 849 CA ILE A 62 0.829 -2.074 3.149 1.00 0.00 C ATOM 850 C ILE A 62 2.321 -1.991 3.424 1.00 0.00 C ATOM 851 O ILE A 62 3.025 -1.184 2.850 1.00 0.00 O ATOM 852 CB ILE A 62 0.645 -2.349 1.648 1.00 0.00 C ATOM 853 CG1 ILE A 62 -0.834 -2.350 1.230 1.00 0.00 C ATOM 854 CG2 ILE A 62 1.232 -3.721 1.335 1.00 0.00 C ATOM 855 CD1 ILE A 62 -0.951 -1.902 -0.232 1.00 0.00 C ATOM 0 H ILE A 62 0.697 0.041 3.452 1.00 0.00 H new ATOM 0 HA ILE A 62 0.392 -2.870 3.751 1.00 0.00 H new ATOM 0 HB ILE A 62 1.149 -1.554 1.098 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.257 -3.347 1.351 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.406 -1.681 1.874 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.111 -3.935 0.273 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.292 -3.730 1.588 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.713 -4.481 1.920 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.000 -1.902 -0.530 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.544 -0.896 -0.338 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.393 -2.588 -0.869 1.00 0.00 H new ATOM 867 N LYS A 63 2.827 -2.869 4.238 1.00 0.00 N ATOM 868 CA LYS A 63 4.282 -2.883 4.468 1.00 0.00 C ATOM 869 C LYS A 63 4.842 -3.767 3.359 1.00 0.00 C ATOM 870 O LYS A 63 4.819 -4.980 3.457 1.00 0.00 O ATOM 871 CB LYS A 63 4.595 -3.483 5.839 1.00 0.00 C ATOM 872 CG LYS A 63 6.074 -3.859 5.905 1.00 0.00 C ATOM 873 CD LYS A 63 6.212 -5.371 6.086 1.00 0.00 C ATOM 874 CE LYS A 63 7.296 -5.662 7.126 1.00 0.00 C ATOM 875 NZ LYS A 63 7.956 -6.961 6.813 1.00 0.00 N ATOM 0 H LYS A 63 2.294 -3.572 4.749 1.00 0.00 H new ATOM 0 HA LYS A 63 4.714 -1.882 4.454 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.356 -2.766 6.625 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.977 -4.364 6.012 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.581 -3.544 4.993 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.555 -3.338 6.733 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.262 -5.798 6.406 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.469 -5.840 5.136 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.034 -4.860 7.131 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.857 -5.697 8.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.938 -6.942 7.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.441 -7.734 7.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.950 -7.115 5.784 1.00 0.00 H new ATOM 889 N VAL A 64 5.270 -3.175 2.272 1.00 0.00 N ATOM 890 CA VAL A 64 5.747 -3.968 1.127 1.00 0.00 C ATOM 891 C VAL A 64 7.268 -3.988 1.075 1.00 0.00 C ATOM 892 O VAL A 64 7.921 -2.993 1.314 1.00 0.00 O ATOM 893 CB VAL A 64 5.230 -3.299 -0.140 1.00 0.00 C ATOM 894 CG1 VAL A 64 3.735 -3.559 -0.295 1.00 0.00 C ATOM 895 CG2 VAL A 64 5.474 -1.789 -0.069 1.00 0.00 C ATOM 0 H VAL A 64 5.305 -2.164 2.140 1.00 0.00 H new ATOM 0 HA VAL A 64 5.390 -4.994 1.221 1.00 0.00 H new ATOM 0 HB VAL A 64 5.761 -3.714 -0.997 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.374 -3.077 -1.204 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.557 -4.632 -0.359 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.204 -3.154 0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.102 -1.317 -0.978 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.952 -1.376 0.794 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.543 -1.597 0.028 1.00 0.00 H new ATOM 905 N ARG A 65 7.842 -5.100 0.722 1.00 0.00 N ATOM 906 CA ARG A 65 9.319 -5.145 0.613 1.00 0.00 C ATOM 907 C ARG A 65 9.710 -4.290 -0.575 1.00 0.00 C ATOM 908 O ARG A 65 9.175 -4.430 -1.653 1.00 0.00 O ATOM 909 CB ARG A 65 9.809 -6.578 0.397 1.00 0.00 C ATOM 910 CG ARG A 65 8.953 -7.558 1.206 1.00 0.00 C ATOM 911 CD ARG A 65 9.819 -8.244 2.264 1.00 0.00 C ATOM 912 NE ARG A 65 10.477 -9.443 1.675 1.00 0.00 N ATOM 913 CZ ARG A 65 11.777 -9.500 1.603 1.00 0.00 C ATOM 914 NH1 ARG A 65 12.396 -8.989 0.575 1.00 0.00 N ATOM 915 NH2 ARG A 65 12.460 -10.062 2.563 1.00 0.00 N ATOM 0 H ARG A 65 7.357 -5.971 0.506 1.00 0.00 H new ATOM 0 HA ARG A 65 9.771 -4.775 1.533 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.761 -6.831 -0.662 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.853 -6.662 0.698 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.129 -7.028 1.684 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.512 -8.303 0.544 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.573 -7.550 2.637 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.205 -8.536 3.116 1.00 0.00 H new ATOM 0 HE ARG A 65 9.911 -10.218 1.329 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.863 -8.545 -0.172 1.00 0.00 H new ATOM 0 HH12 ARG A 65 13.413 -9.034 0.518 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.976 -10.457 3.370 1.00 0.00 H new ATOM 0 HH22 ARG A 65 13.477 -10.107 2.506 1.00 0.00 H new ATOM 929 N ALA A 66 10.630 -3.400 -0.372 1.00 0.00 N ATOM 930 CA ALA A 66 11.081 -2.499 -1.464 1.00 0.00 C ATOM 931 C ALA A 66 12.161 -3.204 -2.263 1.00 0.00 C ATOM 932 O ALA A 66 13.210 -2.661 -2.548 1.00 0.00 O ATOM 933 CB ALA A 66 11.656 -1.233 -0.851 1.00 0.00 C ATOM 0 H ALA A 66 11.100 -3.254 0.522 1.00 0.00 H new ATOM 0 HA ALA A 66 10.244 -2.246 -2.115 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.990 -0.564 -1.644 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.889 -0.736 -0.256 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.501 -1.489 -0.212 1.00 0.00 H new ATOM 939 N GLY A 67 11.904 -4.419 -2.603 1.00 0.00 N ATOM 940 CA GLY A 67 12.901 -5.211 -3.373 1.00 0.00 C ATOM 941 C GLY A 67 13.995 -5.688 -2.416 1.00 0.00 C ATOM 942 O GLY A 67 13.863 -6.702 -1.763 1.00 0.00 O ATOM 0 H GLY A 67 11.039 -4.912 -2.382 1.00 0.00 H new ATOM 0 HA2 GLY A 67 12.418 -6.064 -3.850 1.00 0.00 H new ATOM 0 HA3 GLY A 67 13.333 -4.603 -4.168 1.00 0.00 H new ATOM 946 N ASP A 68 15.074 -4.958 -2.326 1.00 0.00 N ATOM 947 CA ASP A 68 16.170 -5.360 -1.414 1.00 0.00 C ATOM 948 C ASP A 68 15.651 -5.402 0.030 1.00 0.00 C ATOM 949 O ASP A 68 14.459 -5.407 0.269 1.00 0.00 O ATOM 950 CB ASP A 68 17.314 -4.348 -1.526 1.00 0.00 C ATOM 951 CG ASP A 68 18.385 -4.891 -2.474 1.00 0.00 C ATOM 952 OD1 ASP A 68 18.569 -6.096 -2.501 1.00 0.00 O ATOM 953 OD2 ASP A 68 19.002 -4.091 -3.157 1.00 0.00 O ATOM 0 H ASP A 68 15.239 -4.098 -2.849 1.00 0.00 H new ATOM 0 HA ASP A 68 16.532 -6.350 -1.690 1.00 0.00 H new ATOM 0 HB2 ASP A 68 16.936 -3.395 -1.896 1.00 0.00 H new ATOM 0 HB3 ASP A 68 17.745 -4.160 -0.543 1.00 0.00 H new ATOM 958 N ASN A 92 16.534 -5.437 0.994 1.00 0.00 N ATOM 959 CA ASN A 92 16.092 -5.482 2.420 1.00 0.00 C ATOM 960 C ASN A 92 15.341 -4.201 2.778 1.00 0.00 C ATOM 961 O ASN A 92 14.744 -4.101 3.831 1.00 0.00 O ATOM 962 CB ASN A 92 17.316 -5.618 3.329 1.00 0.00 C ATOM 963 CG ASN A 92 18.142 -4.331 3.263 1.00 0.00 C ATOM 964 OD1 ASN A 92 17.858 -3.454 2.471 1.00 0.00 O ATOM 965 ND2 ASN A 92 19.156 -4.177 4.070 1.00 0.00 N ATOM 0 H ASN A 92 17.544 -5.436 0.855 1.00 0.00 H new ATOM 0 HA ASN A 92 15.430 -6.337 2.559 1.00 0.00 H new ATOM 0 HB2 ASN A 92 17.002 -5.809 4.355 1.00 0.00 H new ATOM 0 HB3 ASN A 92 17.922 -6.469 3.017 1.00 0.00 H new ATOM 0 HD21 ASN A 92 19.710 -3.321 4.036 1.00 0.00 H new ATOM 0 HD22 ASN A 92 19.395 -4.913 4.735 1.00 0.00 H new ATOM 972 N LYS A 93 15.348 -3.225 1.916 1.00 0.00 N ATOM 973 CA LYS A 93 14.616 -1.973 2.232 1.00 0.00 C ATOM 974 C LYS A 93 13.121 -2.282 2.220 1.00 0.00 C ATOM 975 O LYS A 93 12.700 -3.297 1.707 1.00 0.00 O ATOM 976 CB LYS A 93 14.927 -0.906 1.178 1.00 0.00 C ATOM 977 CG LYS A 93 16.314 -0.315 1.441 1.00 0.00 C ATOM 978 CD LYS A 93 16.212 0.778 2.508 1.00 0.00 C ATOM 979 CE LYS A 93 17.618 1.176 2.964 1.00 0.00 C ATOM 980 NZ LYS A 93 18.176 2.195 2.030 1.00 0.00 N ATOM 0 H LYS A 93 15.825 -3.240 1.014 1.00 0.00 H new ATOM 0 HA LYS A 93 14.920 -1.598 3.209 1.00 0.00 H new ATOM 0 HB2 LYS A 93 14.890 -1.344 0.180 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.173 -0.119 1.209 1.00 0.00 H new ATOM 0 HG2 LYS A 93 16.997 -1.097 1.771 1.00 0.00 H new ATOM 0 HG3 LYS A 93 16.725 0.099 0.520 1.00 0.00 H new ATOM 0 HD2 LYS A 93 15.689 1.646 2.107 1.00 0.00 H new ATOM 0 HD3 LYS A 93 15.630 0.420 3.357 1.00 0.00 H new ATOM 0 HE2 LYS A 93 17.583 1.577 3.977 1.00 0.00 H new ATOM 0 HE3 LYS A 93 18.265 0.299 2.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 19.131 2.465 2.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 18.224 1.797 1.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 17.563 3.035 2.026 1.00 0.00 H new ATOM 994 N TYR A 94 12.319 -1.428 2.782 1.00 0.00 N ATOM 995 CA TYR A 94 10.856 -1.689 2.797 1.00 0.00 C ATOM 996 C TYR A 94 10.129 -0.419 2.376 1.00 0.00 C ATOM 997 O TYR A 94 10.743 0.605 2.151 1.00 0.00 O ATOM 998 CB TYR A 94 10.425 -2.082 4.207 1.00 0.00 C ATOM 999 CG TYR A 94 10.422 -3.584 4.337 1.00 0.00 C ATOM 1000 CD1 TYR A 94 11.580 -4.254 4.752 1.00 0.00 C ATOM 1001 CD2 TYR A 94 9.260 -4.307 4.052 1.00 0.00 C ATOM 1002 CE1 TYR A 94 11.572 -5.645 4.884 1.00 0.00 C ATOM 1003 CE2 TYR A 94 9.252 -5.699 4.182 1.00 0.00 C ATOM 1004 CZ TYR A 94 10.408 -6.370 4.600 1.00 0.00 C ATOM 1005 OH TYR A 94 10.399 -7.742 4.735 1.00 0.00 O ATOM 0 H TYR A 94 12.612 -0.561 3.232 1.00 0.00 H new ATOM 0 HA TYR A 94 10.614 -2.500 2.110 1.00 0.00 H new ATOM 0 HB2 TYR A 94 11.103 -1.645 4.940 1.00 0.00 H new ATOM 0 HB3 TYR A 94 9.431 -1.687 4.417 1.00 0.00 H new ATOM 0 HD1 TYR A 94 12.479 -3.696 4.970 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.368 -3.790 3.731 1.00 0.00 H new ATOM 0 HE1 TYR A 94 12.464 -6.162 5.205 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.354 -6.257 3.960 1.00 0.00 H new ATOM 0 HH TYR A 94 10.128 -7.979 5.647 1.00 0.00 H new ATOM 1015 N MET A 95 8.832 -0.461 2.260 1.00 0.00 N ATOM 1016 CA MET A 95 8.113 0.768 1.850 1.00 0.00 C ATOM 1017 C MET A 95 6.659 0.701 2.300 1.00 0.00 C ATOM 1018 O MET A 95 5.860 -0.036 1.757 1.00 0.00 O ATOM 1019 CB MET A 95 8.172 0.911 0.328 1.00 0.00 C ATOM 1020 CG MET A 95 8.569 2.344 -0.030 1.00 0.00 C ATOM 1021 SD MET A 95 9.497 2.343 -1.584 1.00 0.00 S ATOM 1022 CE MET A 95 8.069 2.312 -2.694 1.00 0.00 C ATOM 0 H MET A 95 8.249 -1.281 2.429 1.00 0.00 H new ATOM 0 HA MET A 95 8.589 1.630 2.317 1.00 0.00 H new ATOM 0 HB2 MET A 95 8.893 0.207 -0.087 1.00 0.00 H new ATOM 0 HB3 MET A 95 7.203 0.670 -0.109 1.00 0.00 H new ATOM 0 HG2 MET A 95 7.679 2.966 -0.126 1.00 0.00 H new ATOM 0 HG3 MET A 95 9.175 2.775 0.767 1.00 0.00 H new ATOM 0 HE1 MET A 95 8.340 1.809 -3.622 1.00 0.00 H new ATOM 0 HE2 MET A 95 7.249 1.775 -2.217 1.00 0.00 H new ATOM 0 HE3 MET A 95 7.756 3.333 -2.913 1.00 0.00 H new ATOM 1032 N HIS A 96 6.302 1.485 3.274 1.00 0.00 N ATOM 1033 CA HIS A 96 4.892 1.487 3.731 1.00 0.00 C ATOM 1034 C HIS A 96 4.063 2.120 2.623 1.00 0.00 C ATOM 1035 O HIS A 96 4.519 3.006 1.930 1.00 0.00 O ATOM 1036 CB HIS A 96 4.761 2.306 5.011 1.00 0.00 C ATOM 1037 CG HIS A 96 4.651 1.379 6.188 1.00 0.00 C ATOM 1038 ND1 HIS A 96 4.910 1.786 7.491 1.00 0.00 N ATOM 1039 CD2 HIS A 96 4.323 0.055 6.267 1.00 0.00 C ATOM 1040 CE1 HIS A 96 4.732 0.721 8.291 1.00 0.00 C ATOM 1041 NE2 HIS A 96 4.386 -0.366 7.595 1.00 0.00 N ATOM 0 H HIS A 96 6.924 2.122 3.771 1.00 0.00 H new ATOM 0 HA HIS A 96 4.551 0.473 3.941 1.00 0.00 H new ATOM 0 HB2 HIS A 96 5.626 2.959 5.128 1.00 0.00 H new ATOM 0 HB3 HIS A 96 3.882 2.948 4.957 1.00 0.00 H new ATOM 0 HD2 HIS A 96 4.056 -0.571 5.428 1.00 0.00 H new ATOM 0 HE1 HIS A 96 4.854 0.741 9.364 1.00 0.00 H new ATOM 0 HE2 HIS A 96 4.207 -1.302 7.957 1.00 0.00 H new ATOM 1049 N LEU A 97 2.872 1.657 2.415 1.00 0.00 N ATOM 1050 CA LEU A 97 2.059 2.222 1.310 1.00 0.00 C ATOM 1051 C LEU A 97 0.663 2.593 1.792 1.00 0.00 C ATOM 1052 O LEU A 97 0.137 2.021 2.721 1.00 0.00 O ATOM 1053 CB LEU A 97 1.942 1.166 0.223 1.00 0.00 C ATOM 1054 CG LEU A 97 1.101 1.713 -0.917 1.00 0.00 C ATOM 1055 CD1 LEU A 97 1.878 2.824 -1.624 1.00 0.00 C ATOM 1056 CD2 LEU A 97 0.810 0.581 -1.893 1.00 0.00 C ATOM 0 H LEU A 97 2.426 0.917 2.956 1.00 0.00 H new ATOM 0 HA LEU A 97 2.542 3.124 0.935 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.932 0.889 -0.140 1.00 0.00 H new ATOM 0 HB3 LEU A 97 1.486 0.262 0.626 1.00 0.00 H new ATOM 0 HG LEU A 97 0.163 2.119 -0.537 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.280 3.221 -2.444 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.098 3.622 -0.915 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.811 2.421 -2.018 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.206 0.958 -2.718 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.748 0.185 -2.281 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.267 -0.212 -1.379 1.00 0.00 H new ATOM 1068 N LYS A 98 0.062 3.540 1.137 1.00 0.00 N ATOM 1069 CA LYS A 98 -1.313 3.969 1.499 1.00 0.00 C ATOM 1070 C LYS A 98 -2.087 4.202 0.198 1.00 0.00 C ATOM 1071 O LYS A 98 -1.799 5.115 -0.545 1.00 0.00 O ATOM 1072 CB LYS A 98 -1.249 5.267 2.307 1.00 0.00 C ATOM 1073 CG LYS A 98 -2.655 5.857 2.445 1.00 0.00 C ATOM 1074 CD LYS A 98 -2.553 7.345 2.782 1.00 0.00 C ATOM 1075 CE LYS A 98 -2.260 7.508 4.273 1.00 0.00 C ATOM 1076 NZ LYS A 98 -3.216 8.488 4.860 1.00 0.00 N ATOM 0 H LYS A 98 0.473 4.045 0.351 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.807 3.208 2.103 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.827 5.073 3.293 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.591 5.982 1.814 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.211 5.721 1.517 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.206 5.333 3.226 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -1.763 7.810 2.192 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.483 7.852 2.525 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.350 6.547 4.780 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.236 7.851 4.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -3.018 8.601 5.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -3.109 9.406 4.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.189 8.143 4.733 1.00 0.00 H new ATOM 1090 N VAL A 99 -3.050 3.380 -0.103 1.00 0.00 N ATOM 1091 CA VAL A 99 -3.803 3.570 -1.371 1.00 0.00 C ATOM 1092 C VAL A 99 -5.278 3.862 -1.055 1.00 0.00 C ATOM 1093 O VAL A 99 -5.760 3.549 0.011 1.00 0.00 O ATOM 1094 CB VAL A 99 -3.699 2.266 -2.201 1.00 0.00 C ATOM 1095 CG1 VAL A 99 -4.978 2.047 -3.006 1.00 0.00 C ATOM 1096 CG2 VAL A 99 -2.532 2.344 -3.183 1.00 0.00 C ATOM 0 H VAL A 99 -3.347 2.590 0.469 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.388 4.407 -1.932 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.545 1.442 -1.504 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.891 1.127 -3.584 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.827 1.969 -2.327 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.131 2.888 -3.683 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.476 1.419 -3.756 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.683 3.183 -3.862 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.602 2.486 -2.632 1.00 0.00 H new ATOM 1106 N PHE A 100 -6.015 4.420 -1.985 1.00 0.00 N ATOM 1107 CA PHE A 100 -7.458 4.655 -1.723 1.00 0.00 C ATOM 1108 C PHE A 100 -8.249 4.037 -2.875 1.00 0.00 C ATOM 1109 O PHE A 100 -7.975 4.296 -4.034 1.00 0.00 O ATOM 1110 CB PHE A 100 -7.757 6.153 -1.631 1.00 0.00 C ATOM 1111 CG PHE A 100 -9.225 6.370 -1.344 1.00 0.00 C ATOM 1112 CD1 PHE A 100 -9.978 5.377 -0.709 1.00 0.00 C ATOM 1113 CD2 PHE A 100 -9.831 7.574 -1.723 1.00 0.00 C ATOM 1114 CE1 PHE A 100 -11.339 5.586 -0.454 1.00 0.00 C ATOM 1115 CE2 PHE A 100 -11.191 7.785 -1.466 1.00 0.00 C ATOM 1116 CZ PHE A 100 -11.945 6.790 -0.832 1.00 0.00 C ATOM 0 H PHE A 100 -5.680 4.718 -2.901 1.00 0.00 H new ATOM 0 HA PHE A 100 -7.740 4.201 -0.773 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -7.153 6.605 -0.844 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.484 6.645 -2.565 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -9.510 4.449 -0.415 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -9.249 8.340 -2.214 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -11.921 4.818 0.034 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -11.658 8.714 -1.757 1.00 0.00 H new ATOM 0 HZ PHE A 100 -12.994 6.951 -0.635 1.00 0.00 H new ATOM 1126 N LYS A 101 -9.217 3.212 -2.575 1.00 0.00 N ATOM 1127 CA LYS A 101 -10.014 2.583 -3.663 1.00 0.00 C ATOM 1128 C LYS A 101 -11.360 3.287 -3.752 1.00 0.00 C ATOM 1129 O LYS A 101 -11.958 3.642 -2.756 1.00 0.00 O ATOM 1130 CB LYS A 101 -10.240 1.096 -3.380 1.00 0.00 C ATOM 1131 CG LYS A 101 -11.061 0.931 -2.099 1.00 0.00 C ATOM 1132 CD LYS A 101 -12.482 0.494 -2.462 1.00 0.00 C ATOM 1133 CE LYS A 101 -12.600 -1.026 -2.330 1.00 0.00 C ATOM 1134 NZ LYS A 101 -12.197 -1.671 -3.612 1.00 0.00 N ATOM 0 H LYS A 101 -9.488 2.949 -1.627 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.470 2.678 -4.603 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -10.760 0.632 -4.218 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.282 0.586 -3.277 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.596 0.191 -1.448 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -11.087 1.870 -1.546 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -13.203 0.983 -1.807 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.719 0.800 -3.481 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.966 -1.381 -1.517 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -13.624 -1.301 -2.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -12.556 -2.647 -3.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -12.594 -1.135 -4.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.160 -1.682 -3.684 1.00 0.00 H new ATOM 1148 N SER A 102 -11.840 3.488 -4.937 1.00 0.00 N ATOM 1149 CA SER A 102 -13.142 4.165 -5.101 1.00 0.00 C ATOM 1150 C SER A 102 -14.213 3.124 -5.389 1.00 0.00 C ATOM 1151 O SER A 102 -14.300 2.585 -6.473 1.00 0.00 O ATOM 1152 CB SER A 102 -13.070 5.164 -6.255 1.00 0.00 C ATOM 1153 OG SER A 102 -14.343 5.250 -6.881 1.00 0.00 O ATOM 0 H SER A 102 -11.383 3.210 -5.805 1.00 0.00 H new ATOM 0 HA SER A 102 -13.389 4.702 -4.185 1.00 0.00 H new ATOM 0 HB2 SER A 102 -12.767 6.143 -5.885 1.00 0.00 H new ATOM 0 HB3 SER A 102 -12.317 4.849 -6.977 1.00 0.00 H new ATOM 0 HG SER A 102 -14.335 5.975 -7.540 1.00 0.00 H new ATOM 1159 N LEU A 102A -15.007 2.842 -4.406 1.00 0.00 N ATOM 1160 CA LEU A 102A -16.107 1.836 -4.552 1.00 0.00 C ATOM 1161 C LEU A 102A -16.721 1.926 -5.958 1.00 0.00 C ATOM 1162 O LEU A 102A -16.510 2.889 -6.667 1.00 0.00 O ATOM 1163 CB LEU A 102A -17.195 2.114 -3.506 1.00 0.00 C ATOM 1164 CG LEU A 102A -17.222 3.606 -3.155 1.00 0.00 C ATOM 1165 CD1 LEU A 102A -17.260 4.439 -4.437 1.00 0.00 C ATOM 1166 CD2 LEU A 102A -18.469 3.908 -2.321 1.00 0.00 C ATOM 0 H LEU A 102A -14.946 3.271 -3.483 1.00 0.00 H new ATOM 0 HA LEU A 102A -15.697 0.837 -4.403 1.00 0.00 H new ATOM 0 HB2 LEU A 102A -18.167 1.806 -3.891 1.00 0.00 H new ATOM 0 HB3 LEU A 102A -17.006 1.525 -2.609 1.00 0.00 H new ATOM 0 HG LEU A 102A -16.327 3.858 -2.586 1.00 0.00 H new ATOM 0 HD11 LEU A 102A -17.279 5.499 -4.182 1.00 0.00 H new ATOM 0 HD12 LEU A 102A -16.375 4.226 -5.036 1.00 0.00 H new ATOM 0 HD13 LEU A 102A -18.154 4.187 -5.008 1.00 0.00 H new ATOM 0 HD21 LEU A 102A -18.491 4.968 -2.070 1.00 0.00 H new ATOM 0 HD22 LEU A 102A -19.360 3.652 -2.894 1.00 0.00 H new ATOM 0 HD23 LEU A 102A -18.445 3.319 -1.404 1.00 0.00 H new ATOM 1178 N PRO A 103 -17.469 0.914 -6.320 1.00 0.00 N ATOM 1179 CA PRO A 103 -18.118 0.845 -7.643 1.00 0.00 C ATOM 1180 C PRO A 103 -19.240 1.878 -7.760 1.00 0.00 C ATOM 1181 O PRO A 103 -20.125 1.959 -6.933 1.00 0.00 O ATOM 1182 CB PRO A 103 -18.646 -0.590 -7.718 1.00 0.00 C ATOM 1183 CG PRO A 103 -18.749 -1.092 -6.260 1.00 0.00 C ATOM 1184 CD PRO A 103 -17.762 -0.239 -5.441 1.00 0.00 C ATOM 0 HA PRO A 103 -17.438 1.074 -8.464 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -19.618 -0.621 -8.209 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -17.974 -1.221 -8.300 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -19.765 -0.982 -5.881 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -18.497 -2.150 -6.194 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -18.200 0.081 -4.496 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -16.857 -0.797 -5.200 1.00 0.00 H new ATOM 1192 N GLY A 104 -19.188 2.675 -8.792 1.00 0.00 N ATOM 1193 CA GLY A 104 -20.223 3.726 -8.999 1.00 0.00 C ATOM 1194 C GLY A 104 -19.598 4.861 -9.810 1.00 0.00 C ATOM 1195 O GLY A 104 -20.276 5.612 -10.484 1.00 0.00 O ATOM 0 H GLY A 104 -18.463 2.642 -9.509 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -21.084 3.313 -9.525 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -20.584 4.098 -8.040 1.00 0.00 H new ATOM 1199 N GLN A 105 -18.300 4.979 -9.752 1.00 0.00 N ATOM 1200 CA GLN A 105 -17.597 6.048 -10.515 1.00 0.00 C ATOM 1201 C GLN A 105 -16.423 5.431 -11.276 1.00 0.00 C ATOM 1202 O GLN A 105 -15.629 6.120 -11.884 1.00 0.00 O ATOM 1203 CB GLN A 105 -17.071 7.095 -9.541 1.00 0.00 C ATOM 1204 CG GLN A 105 -17.708 8.452 -9.850 1.00 0.00 C ATOM 1205 CD GLN A 105 -16.621 9.441 -10.276 1.00 0.00 C ATOM 1206 OE1 GLN A 105 -15.672 9.669 -9.553 1.00 0.00 O ATOM 1207 NE2 GLN A 105 -16.721 10.042 -11.430 1.00 0.00 N ATOM 0 H GLN A 105 -17.690 4.374 -9.202 1.00 0.00 H new ATOM 0 HA GLN A 105 -18.287 6.515 -11.218 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -17.299 6.800 -8.517 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -15.986 7.165 -9.618 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -18.449 8.346 -10.643 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -18.233 8.828 -8.972 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -17.518 9.851 -12.037 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -16.002 10.703 -11.725 1.00 0.00 H new ATOM 1216 N ASN A 105A -16.321 4.135 -11.240 1.00 0.00 N ATOM 1217 CA ASN A 105A -15.222 3.434 -11.952 1.00 0.00 C ATOM 1218 C ASN A 105A -13.902 4.188 -11.770 1.00 0.00 C ATOM 1219 O ASN A 105A -13.594 5.108 -12.499 1.00 0.00 O ATOM 1220 CB ASN A 105A -15.570 3.338 -13.435 1.00 0.00 C ATOM 1221 CG ASN A 105A -15.698 4.741 -14.034 1.00 0.00 C ATOM 1222 OD1 ASN A 105A -16.736 5.365 -13.931 1.00 0.00 O ATOM 1223 ND2 ASN A 105A -14.681 5.268 -14.658 1.00 0.00 N ATOM 0 H ASN A 105A -16.964 3.522 -10.739 1.00 0.00 H new ATOM 0 HA ASN A 105A -15.105 2.433 -11.537 1.00 0.00 H new ATOM 0 HB2 ASN A 105A -14.798 2.777 -13.963 1.00 0.00 H new ATOM 0 HB3 ASN A 105A -16.505 2.792 -13.563 1.00 0.00 H new ATOM 0 HD21 ASN A 105A -14.757 6.203 -15.059 1.00 0.00 H new ATOM 0 HD22 ASN A 105A -13.809 4.745 -14.745 1.00 0.00 H new ATOM 1230 N GLU A 106 -13.115 3.794 -10.805 1.00 0.00 N ATOM 1231 CA GLU A 106 -11.809 4.475 -10.577 1.00 0.00 C ATOM 1232 C GLU A 106 -10.688 3.435 -10.599 1.00 0.00 C ATOM 1233 O GLU A 106 -10.926 2.254 -10.757 1.00 0.00 O ATOM 1234 CB GLU A 106 -11.821 5.175 -9.217 1.00 0.00 C ATOM 1235 CG GLU A 106 -11.518 6.662 -9.405 1.00 0.00 C ATOM 1236 CD GLU A 106 -12.513 7.492 -8.592 1.00 0.00 C ATOM 1237 OE1 GLU A 106 -13.694 7.421 -8.888 1.00 0.00 O ATOM 1238 OE2 GLU A 106 -12.076 8.183 -7.685 1.00 0.00 O ATOM 0 H GLU A 106 -13.321 3.028 -10.164 1.00 0.00 H new ATOM 0 HA GLU A 106 -11.645 5.214 -11.362 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -12.793 5.049 -8.740 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -11.081 4.723 -8.557 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -10.499 6.880 -9.085 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -11.584 6.927 -10.460 1.00 0.00 H new ATOM 1245 N ASP A 107 -9.466 3.863 -10.440 1.00 0.00 N ATOM 1246 CA ASP A 107 -8.329 2.897 -10.449 1.00 0.00 C ATOM 1247 C ASP A 107 -7.478 3.100 -9.195 1.00 0.00 C ATOM 1248 O ASP A 107 -6.275 3.247 -9.265 1.00 0.00 O ATOM 1249 CB ASP A 107 -7.470 3.128 -11.694 1.00 0.00 C ATOM 1250 CG ASP A 107 -7.723 2.010 -12.707 1.00 0.00 C ATOM 1251 OD1 ASP A 107 -8.616 2.166 -13.522 1.00 0.00 O ATOM 1252 OD2 ASP A 107 -7.018 1.015 -12.648 1.00 0.00 O ATOM 0 H ASP A 107 -9.205 4.840 -10.304 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.718 1.879 -10.463 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -7.707 4.095 -12.138 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -6.415 3.153 -11.421 1.00 0.00 H new ATOM 1257 N LEU A 108 -8.102 3.102 -8.052 1.00 0.00 N ATOM 1258 CA LEU A 108 -7.355 3.291 -6.777 1.00 0.00 C ATOM 1259 C LEU A 108 -6.350 4.412 -6.909 1.00 0.00 C ATOM 1260 O LEU A 108 -6.276 5.106 -7.902 1.00 0.00 O ATOM 1261 CB LEU A 108 -6.618 2.008 -6.398 1.00 0.00 C ATOM 1262 CG LEU A 108 -7.616 1.033 -5.783 1.00 0.00 C ATOM 1263 CD1 LEU A 108 -8.809 0.896 -6.719 1.00 0.00 C ATOM 1264 CD2 LEU A 108 -6.942 -0.328 -5.596 1.00 0.00 C ATOM 0 H LEU A 108 -9.109 2.979 -7.945 1.00 0.00 H new ATOM 0 HA LEU A 108 -8.077 3.543 -6.000 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -6.152 1.566 -7.279 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -5.819 2.227 -5.690 1.00 0.00 H new ATOM 0 HG LEU A 108 -7.953 1.401 -4.814 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -9.530 0.201 -6.290 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -9.280 1.870 -6.854 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -8.472 0.519 -7.685 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -7.652 -1.028 -5.156 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -6.611 -0.706 -6.563 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -6.082 -0.220 -4.935 1.00 0.00 H new ATOM 1276 N VAL A 109 -5.619 4.618 -5.870 1.00 0.00 N ATOM 1277 CA VAL A 109 -4.639 5.728 -5.862 1.00 0.00 C ATOM 1278 C VAL A 109 -3.552 5.491 -4.821 1.00 0.00 C ATOM 1279 O VAL A 109 -3.710 4.704 -3.915 1.00 0.00 O ATOM 1280 CB VAL A 109 -5.415 6.956 -5.455 1.00 0.00 C ATOM 1281 CG1 VAL A 109 -5.942 6.726 -4.054 1.00 0.00 C ATOM 1282 CG2 VAL A 109 -4.522 8.194 -5.468 1.00 0.00 C ATOM 0 H VAL A 109 -5.654 4.063 -5.015 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.162 5.822 -6.838 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.231 7.124 -6.158 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.509 7.599 -3.731 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -6.590 5.850 -4.048 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -5.106 6.564 -3.373 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -5.105 9.066 -5.171 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.696 8.054 -4.770 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.126 8.347 -6.472 1.00 0.00 H new ATOM 1292 N LEU A 110 -2.471 6.213 -4.919 1.00 0.00 N ATOM 1293 CA LEU A 110 -1.399 6.104 -3.934 1.00 0.00 C ATOM 1294 C LEU A 110 -1.630 7.259 -2.953 1.00 0.00 C ATOM 1295 O LEU A 110 -1.097 8.339 -3.098 1.00 0.00 O ATOM 1296 CB LEU A 110 -0.088 6.256 -4.692 1.00 0.00 C ATOM 1297 CG LEU A 110 1.000 6.726 -3.759 1.00 0.00 C ATOM 1298 CD1 LEU A 110 1.086 5.763 -2.581 1.00 0.00 C ATOM 1299 CD2 LEU A 110 2.310 6.744 -4.527 1.00 0.00 C ATOM 0 H LEU A 110 -2.297 6.886 -5.665 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.375 5.159 -3.391 1.00 0.00 H new ATOM 0 HB2 LEU A 110 0.194 5.304 -5.141 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -0.211 6.969 -5.507 1.00 0.00 H new ATOM 0 HG LEU A 110 0.788 7.726 -3.382 1.00 0.00 H new ATOM 0 HD11 LEU A 110 1.870 6.092 -1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 110 0.131 5.745 -2.055 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.319 4.762 -2.945 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.112 7.081 -3.871 1.00 0.00 H new ATOM 0 HD22 LEU A 110 2.534 5.740 -4.887 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.225 7.423 -5.375 1.00 0.00 H new ATOM 1311 N THR A 111 -2.496 7.057 -2.001 1.00 0.00 N ATOM 1312 CA THR A 111 -2.840 8.160 -1.057 1.00 0.00 C ATOM 1313 C THR A 111 -1.697 8.460 -0.080 1.00 0.00 C ATOM 1314 O THR A 111 -1.718 9.460 0.609 1.00 0.00 O ATOM 1315 CB THR A 111 -4.098 7.771 -0.285 1.00 0.00 C ATOM 1316 OG1 THR A 111 -4.177 6.357 -0.196 1.00 0.00 O ATOM 1317 CG2 THR A 111 -5.322 8.305 -1.029 1.00 0.00 C ATOM 0 H THR A 111 -2.982 6.176 -1.834 1.00 0.00 H new ATOM 0 HA THR A 111 -3.012 9.067 -1.637 1.00 0.00 H new ATOM 0 HB THR A 111 -4.063 8.195 0.719 1.00 0.00 H new ATOM 0 HG1 THR A 111 -4.919 6.107 0.393 1.00 0.00 H new ATOM 0 HG21 THR A 111 -6.226 8.032 -0.485 1.00 0.00 H new ATOM 0 HG22 THR A 111 -5.257 9.391 -1.104 1.00 0.00 H new ATOM 0 HG23 THR A 111 -5.356 7.874 -2.029 1.00 0.00 H new ATOM 1325 N GLY A 112 -0.699 7.626 -0.008 1.00 0.00 N ATOM 1326 CA GLY A 112 0.425 7.916 0.934 1.00 0.00 C ATOM 1327 C GLY A 112 1.425 6.763 0.947 1.00 0.00 C ATOM 1328 O GLY A 112 1.352 5.851 0.152 1.00 0.00 O ATOM 0 H GLY A 112 -0.609 6.767 -0.551 1.00 0.00 H new ATOM 0 HA2 GLY A 112 0.927 8.837 0.637 1.00 0.00 H new ATOM 0 HA3 GLY A 112 0.033 8.076 1.938 1.00 0.00 H new ATOM 1332 N TYR A 113 2.372 6.805 1.842 1.00 0.00 N ATOM 1333 CA TYR A 113 3.388 5.734 1.907 1.00 0.00 C ATOM 1334 C TYR A 113 4.519 6.173 2.832 1.00 0.00 C ATOM 1335 O TYR A 113 5.020 7.275 2.729 1.00 0.00 O ATOM 1336 CB TYR A 113 3.969 5.519 0.521 1.00 0.00 C ATOM 1337 CG TYR A 113 4.326 6.859 -0.077 1.00 0.00 C ATOM 1338 CD1 TYR A 113 5.558 7.454 0.222 1.00 0.00 C ATOM 1339 CD2 TYR A 113 3.421 7.513 -0.920 1.00 0.00 C ATOM 1340 CE1 TYR A 113 5.884 8.701 -0.323 1.00 0.00 C ATOM 1341 CE2 TYR A 113 3.746 8.761 -1.463 1.00 0.00 C ATOM 1342 CZ TYR A 113 4.978 9.355 -1.166 1.00 0.00 C ATOM 1343 OH TYR A 113 5.297 10.587 -1.701 1.00 0.00 O ATOM 0 H TYR A 113 2.481 7.545 2.535 1.00 0.00 H new ATOM 0 HA TYR A 113 2.928 4.817 2.276 1.00 0.00 H new ATOM 0 HB2 TYR A 113 4.854 4.885 0.578 1.00 0.00 H new ATOM 0 HB3 TYR A 113 3.248 5.004 -0.114 1.00 0.00 H new ATOM 0 HD1 TYR A 113 6.257 6.950 0.873 1.00 0.00 H new ATOM 0 HD2 TYR A 113 2.471 7.054 -1.152 1.00 0.00 H new ATOM 0 HE1 TYR A 113 6.835 9.159 -0.093 1.00 0.00 H new ATOM 0 HE2 TYR A 113 3.046 9.266 -2.112 1.00 0.00 H new ATOM 0 HH TYR A 113 6.268 10.652 -1.815 1.00 0.00 H new ATOM 1353 N GLN A 114 4.962 5.318 3.705 1.00 0.00 N ATOM 1354 CA GLN A 114 6.098 5.707 4.581 1.00 0.00 C ATOM 1355 C GLN A 114 7.361 5.194 3.901 1.00 0.00 C ATOM 1356 O GLN A 114 7.650 4.019 3.920 1.00 0.00 O ATOM 1357 CB GLN A 114 5.979 5.094 5.990 1.00 0.00 C ATOM 1358 CG GLN A 114 4.510 4.854 6.364 1.00 0.00 C ATOM 1359 CD GLN A 114 4.126 5.766 7.530 1.00 0.00 C ATOM 1360 OE1 GLN A 114 4.296 5.405 8.678 1.00 0.00 O ATOM 1361 NE2 GLN A 114 3.614 6.940 7.286 1.00 0.00 N ATOM 0 H GLN A 114 4.593 4.378 3.850 1.00 0.00 H new ATOM 0 HA GLN A 114 6.112 6.789 4.713 1.00 0.00 H new ATOM 0 HB2 GLN A 114 6.526 4.152 6.028 1.00 0.00 H new ATOM 0 HB3 GLN A 114 6.440 5.760 6.720 1.00 0.00 H new ATOM 0 HG2 GLN A 114 3.868 5.053 5.506 1.00 0.00 H new ATOM 0 HG3 GLN A 114 4.360 3.810 6.640 1.00 0.00 H new ATOM 0 HE21 GLN A 114 3.471 7.244 6.323 1.00 0.00 H new ATOM 0 HE22 GLN A 114 3.357 7.555 8.058 1.00 0.00 H new ATOM 1370 N VAL A 115 8.094 6.050 3.256 1.00 0.00 N ATOM 1371 CA VAL A 115 9.297 5.586 2.544 1.00 0.00 C ATOM 1372 C VAL A 115 10.365 5.127 3.531 1.00 0.00 C ATOM 1373 O VAL A 115 10.321 5.423 4.708 1.00 0.00 O ATOM 1374 CB VAL A 115 9.821 6.724 1.686 1.00 0.00 C ATOM 1375 CG1 VAL A 115 10.664 7.662 2.534 1.00 0.00 C ATOM 1376 CG2 VAL A 115 10.661 6.152 0.556 1.00 0.00 C ATOM 0 H VAL A 115 7.908 7.051 3.194 1.00 0.00 H new ATOM 0 HA VAL A 115 9.042 4.734 1.913 1.00 0.00 H new ATOM 0 HB VAL A 115 8.983 7.283 1.269 1.00 0.00 H new ATOM 0 HG11 VAL A 115 11.038 8.477 1.914 1.00 0.00 H new ATOM 0 HG12 VAL A 115 10.055 8.070 3.340 1.00 0.00 H new ATOM 0 HG13 VAL A 115 11.505 7.113 2.957 1.00 0.00 H new ATOM 0 HG21 VAL A 115 11.040 6.965 -0.063 1.00 0.00 H new ATOM 0 HG22 VAL A 115 11.499 5.593 0.973 1.00 0.00 H new ATOM 0 HG23 VAL A 115 10.048 5.488 -0.053 1.00 0.00 H new ATOM 1386 N ASP A 115A 11.328 4.409 3.041 1.00 0.00 N ATOM 1387 CA ASP A 115A 12.426 3.919 3.919 1.00 0.00 C ATOM 1388 C ASP A 115A 11.861 3.354 5.232 1.00 0.00 C ATOM 1389 O ASP A 115A 12.541 3.328 6.239 1.00 0.00 O ATOM 1390 CB ASP A 115A 13.370 5.080 4.236 1.00 0.00 C ATOM 1391 CG ASP A 115A 14.809 4.565 4.295 1.00 0.00 C ATOM 1392 OD1 ASP A 115A 15.394 4.379 3.241 1.00 0.00 O ATOM 1393 OD2 ASP A 115A 15.300 4.365 5.394 1.00 0.00 O ATOM 0 H ASP A 115A 11.406 4.136 2.061 1.00 0.00 H new ATOM 0 HA ASP A 115A 12.963 3.126 3.400 1.00 0.00 H new ATOM 0 HB2 ASP A 115A 13.280 5.854 3.474 1.00 0.00 H new ATOM 0 HB3 ASP A 115A 13.096 5.536 5.187 1.00 0.00 H new ATOM 1398 N LYS A 116 10.636 2.890 5.241 1.00 0.00 N ATOM 1399 CA LYS A 116 10.070 2.324 6.489 1.00 0.00 C ATOM 1400 C LYS A 116 10.190 0.800 6.425 1.00 0.00 C ATOM 1401 O LYS A 116 10.388 0.240 5.366 1.00 0.00 O ATOM 1402 CB LYS A 116 8.606 2.747 6.611 1.00 0.00 C ATOM 1403 CG LYS A 116 8.489 3.822 7.691 1.00 0.00 C ATOM 1404 CD LYS A 116 8.318 3.156 9.050 1.00 0.00 C ATOM 1405 CE LYS A 116 8.835 4.092 10.146 1.00 0.00 C ATOM 1406 NZ LYS A 116 9.944 3.426 10.887 1.00 0.00 N ATOM 0 H LYS A 116 10.010 2.882 4.436 1.00 0.00 H new ATOM 0 HA LYS A 116 10.610 2.691 7.362 1.00 0.00 H new ATOM 0 HB2 LYS A 116 8.244 3.130 5.657 1.00 0.00 H new ATOM 0 HB3 LYS A 116 7.985 1.888 6.866 1.00 0.00 H new ATOM 0 HG2 LYS A 116 9.379 4.451 7.691 1.00 0.00 H new ATOM 0 HG3 LYS A 116 7.639 4.472 7.482 1.00 0.00 H new ATOM 0 HD2 LYS A 116 7.268 2.922 9.223 1.00 0.00 H new ATOM 0 HD3 LYS A 116 8.863 2.212 9.076 1.00 0.00 H new ATOM 0 HE2 LYS A 116 9.187 5.025 9.706 1.00 0.00 H new ATOM 0 HE3 LYS A 116 8.027 4.347 10.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 10.616 4.144 11.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 9.555 2.905 11.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 10.435 2.763 10.254 1.00 0.00 H new ATOM 1420 N ASN A 117 10.097 0.113 7.535 1.00 0.00 N ATOM 1421 CA ASN A 117 10.240 -1.373 7.476 1.00 0.00 C ATOM 1422 C ASN A 117 9.253 -2.065 8.413 1.00 0.00 C ATOM 1423 O ASN A 117 8.211 -1.543 8.751 1.00 0.00 O ATOM 1424 CB ASN A 117 11.666 -1.765 7.873 1.00 0.00 C ATOM 1425 CG ASN A 117 11.912 -1.395 9.337 1.00 0.00 C ATOM 1426 OD1 ASN A 117 11.452 -0.372 9.804 1.00 0.00 O ATOM 1427 ND2 ASN A 117 12.625 -2.191 10.086 1.00 0.00 N ATOM 0 H ASN A 117 9.932 0.506 8.462 1.00 0.00 H new ATOM 0 HA ASN A 117 10.029 -1.692 6.455 1.00 0.00 H new ATOM 0 HB2 ASN A 117 11.813 -2.835 7.728 1.00 0.00 H new ATOM 0 HB3 ASN A 117 12.386 -1.255 7.233 1.00 0.00 H new ATOM 0 HD21 ASN A 117 12.796 -1.954 11.063 1.00 0.00 H new ATOM 0 HD22 ASN A 117 13.011 -3.050 9.694 1.00 0.00 H new ATOM 1434 N LYS A 118 9.587 -3.260 8.817 1.00 0.00 N ATOM 1435 CA LYS A 118 8.695 -4.043 9.720 1.00 0.00 C ATOM 1436 C LYS A 118 8.584 -3.350 11.074 1.00 0.00 C ATOM 1437 O LYS A 118 7.505 -3.168 11.603 1.00 0.00 O ATOM 1438 CB LYS A 118 9.282 -5.441 9.923 1.00 0.00 C ATOM 1439 CG LYS A 118 8.514 -6.163 11.032 1.00 0.00 C ATOM 1440 CD LYS A 118 9.404 -6.291 12.270 1.00 0.00 C ATOM 1441 CE LYS A 118 9.996 -7.700 12.331 1.00 0.00 C ATOM 1442 NZ LYS A 118 11.287 -7.666 13.074 1.00 0.00 N ATOM 0 H LYS A 118 10.452 -3.734 8.556 1.00 0.00 H new ATOM 0 HA LYS A 118 7.706 -4.114 9.268 1.00 0.00 H new ATOM 0 HB2 LYS A 118 9.222 -6.010 8.995 1.00 0.00 H new ATOM 0 HB3 LYS A 118 10.338 -5.369 10.185 1.00 0.00 H new ATOM 0 HG2 LYS A 118 7.607 -5.612 11.279 1.00 0.00 H new ATOM 0 HG3 LYS A 118 8.204 -7.151 10.690 1.00 0.00 H new ATOM 0 HD2 LYS A 118 10.203 -5.551 12.234 1.00 0.00 H new ATOM 0 HD3 LYS A 118 8.823 -6.090 13.170 1.00 0.00 H new ATOM 0 HE2 LYS A 118 9.299 -8.378 12.824 1.00 0.00 H new ATOM 0 HE3 LYS A 118 10.155 -8.083 11.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 11.689 -8.624 13.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 11.952 -7.032 12.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 11.122 -7.318 14.040 1.00 0.00 H new ATOM 1456 N ASP A 119 9.693 -2.972 11.643 1.00 0.00 N ATOM 1457 CA ASP A 119 9.663 -2.295 12.971 1.00 0.00 C ATOM 1458 C ASP A 119 8.504 -1.296 13.021 1.00 0.00 C ATOM 1459 O ASP A 119 7.991 -0.986 14.078 1.00 0.00 O ATOM 1460 CB ASP A 119 10.983 -1.552 13.197 1.00 0.00 C ATOM 1461 CG ASP A 119 11.301 -1.525 14.692 1.00 0.00 C ATOM 1462 OD1 ASP A 119 10.506 -0.974 15.437 1.00 0.00 O ATOM 1463 OD2 ASP A 119 12.334 -2.055 15.069 1.00 0.00 O ATOM 0 H ASP A 119 10.623 -3.103 11.245 1.00 0.00 H new ATOM 0 HA ASP A 119 9.526 -3.045 13.750 1.00 0.00 H new ATOM 0 HB2 ASP A 119 11.788 -2.044 12.652 1.00 0.00 H new ATOM 0 HB3 ASP A 119 10.911 -0.535 12.811 1.00 0.00 H new ATOM 1468 N ASP A 120 8.091 -0.781 11.893 1.00 0.00 N ATOM 1469 CA ASP A 120 6.973 0.204 11.897 1.00 0.00 C ATOM 1470 C ASP A 120 5.648 -0.460 11.556 1.00 0.00 C ATOM 1471 O ASP A 120 5.424 -0.903 10.447 1.00 0.00 O ATOM 1472 CB ASP A 120 7.243 1.310 10.878 1.00 0.00 C ATOM 1473 CG ASP A 120 6.558 2.597 11.348 1.00 0.00 C ATOM 1474 OD1 ASP A 120 6.979 3.132 12.360 1.00 0.00 O ATOM 1475 OD2 ASP A 120 5.627 3.025 10.686 1.00 0.00 O ATOM 0 H ASP A 120 8.478 -0.999 10.975 1.00 0.00 H new ATOM 0 HA ASP A 120 6.910 0.624 12.901 1.00 0.00 H new ATOM 0 HB2 ASP A 120 8.316 1.471 10.772 1.00 0.00 H new ATOM 0 HB3 ASP A 120 6.866 1.019 9.897 1.00 0.00 H new ATOM 1480 N GLU A 121 4.742 -0.477 12.490 1.00 0.00 N ATOM 1481 CA GLU A 121 3.406 -1.042 12.200 1.00 0.00 C ATOM 1482 C GLU A 121 2.698 0.009 11.351 1.00 0.00 C ATOM 1483 O GLU A 121 2.938 1.188 11.511 1.00 0.00 O ATOM 1484 CB GLU A 121 2.636 -1.266 13.507 1.00 0.00 C ATOM 1485 CG GLU A 121 1.978 -2.650 13.493 1.00 0.00 C ATOM 1486 CD GLU A 121 0.973 -2.751 14.643 1.00 0.00 C ATOM 1487 OE1 GLU A 121 -0.095 -2.174 14.523 1.00 0.00 O ATOM 1488 OE2 GLU A 121 1.287 -3.408 15.623 1.00 0.00 O ATOM 0 H GLU A 121 4.872 -0.124 13.438 1.00 0.00 H new ATOM 0 HA GLU A 121 3.472 -2.003 11.689 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.313 -1.184 14.357 1.00 0.00 H new ATOM 0 HB3 GLU A 121 1.877 -0.494 13.629 1.00 0.00 H new ATOM 0 HG2 GLU A 121 1.474 -2.815 12.541 1.00 0.00 H new ATOM 0 HG3 GLU A 121 2.737 -3.426 13.591 1.00 0.00 H new ATOM 1495 N LEU A 122 1.861 -0.370 10.439 1.00 0.00 N ATOM 1496 CA LEU A 122 1.209 0.675 9.613 1.00 0.00 C ATOM 1497 C LEU A 122 0.290 1.507 10.486 1.00 0.00 C ATOM 1498 O LEU A 122 -0.136 2.571 10.099 1.00 0.00 O ATOM 1499 CB LEU A 122 0.463 0.030 8.452 1.00 0.00 C ATOM 1500 CG LEU A 122 1.529 -0.453 7.481 1.00 0.00 C ATOM 1501 CD1 LEU A 122 1.561 -1.968 7.446 1.00 0.00 C ATOM 1502 CD2 LEU A 122 1.269 0.071 6.079 1.00 0.00 C ATOM 0 H LEU A 122 1.602 -1.334 10.230 1.00 0.00 H new ATOM 0 HA LEU A 122 1.961 1.339 9.188 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -0.154 -0.800 8.798 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.205 0.745 7.973 1.00 0.00 H new ATOM 0 HG LEU A 122 2.490 -0.073 7.828 1.00 0.00 H new ATOM 0 HD11 LEU A 122 2.329 -2.300 6.747 1.00 0.00 H new ATOM 0 HD12 LEU A 122 1.787 -2.350 8.441 1.00 0.00 H new ATOM 0 HD13 LEU A 122 0.590 -2.345 7.125 1.00 0.00 H new ATOM 0 HD21 LEU A 122 2.046 -0.290 5.406 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.297 -0.281 5.733 1.00 0.00 H new ATOM 0 HD23 LEU A 122 1.276 1.161 6.091 1.00 0.00 H new ATOM 1514 N THR A 123 0.027 1.052 11.683 1.00 0.00 N ATOM 1515 CA THR A 123 -0.824 1.845 12.617 1.00 0.00 C ATOM 1516 C THR A 123 -1.939 2.532 11.830 1.00 0.00 C ATOM 1517 O THR A 123 -2.291 2.108 10.750 1.00 0.00 O ATOM 1518 CB THR A 123 0.055 2.905 13.314 1.00 0.00 C ATOM 1519 OG1 THR A 123 -0.187 4.185 12.748 1.00 0.00 O ATOM 1520 CG2 THR A 123 1.534 2.561 13.128 1.00 0.00 C ATOM 0 H THR A 123 0.366 0.164 12.054 1.00 0.00 H new ATOM 0 HA THR A 123 -1.269 1.189 13.365 1.00 0.00 H new ATOM 0 HB THR A 123 -0.193 2.916 14.375 1.00 0.00 H new ATOM 0 HG1 THR A 123 0.373 4.852 13.197 1.00 0.00 H new ATOM 0 HG21 THR A 123 2.148 3.314 13.623 1.00 0.00 H new ATOM 0 HG22 THR A 123 1.738 1.583 13.564 1.00 0.00 H new ATOM 0 HG23 THR A 123 1.772 2.541 12.064 1.00 0.00 H new ATOM 1528 N GLY A 124 -2.475 3.597 12.353 1.00 0.00 N ATOM 1529 CA GLY A 124 -3.554 4.338 11.631 1.00 0.00 C ATOM 1530 C GLY A 124 -2.912 5.303 10.628 1.00 0.00 C ATOM 1531 O GLY A 124 -3.242 6.470 10.567 1.00 0.00 O ATOM 0 H GLY A 124 -2.213 3.992 13.256 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -4.210 3.638 11.113 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -4.172 4.888 12.340 1.00 0.00 H new ATOM 1535 N PHE A 125 -2.001 4.810 9.839 1.00 0.00 N ATOM 1536 CA PHE A 125 -1.317 5.659 8.821 1.00 0.00 C ATOM 1537 C PHE A 125 -1.943 5.403 7.446 1.00 0.00 C ATOM 1538 O PHE A 125 -1.600 4.403 6.838 1.00 0.00 O ATOM 1539 CB PHE A 125 0.194 5.322 8.837 1.00 0.00 C ATOM 1540 CG PHE A 125 0.744 5.169 7.435 1.00 0.00 C ATOM 1541 CD1 PHE A 125 1.065 6.292 6.665 1.00 0.00 C ATOM 1542 CD2 PHE A 125 0.922 3.883 6.906 1.00 0.00 C ATOM 1543 CE1 PHE A 125 1.563 6.127 5.367 1.00 0.00 C ATOM 1544 CE2 PHE A 125 1.415 3.717 5.609 1.00 0.00 C ATOM 1545 CZ PHE A 125 1.734 4.841 4.839 1.00 0.00 C ATOM 1546 OXT PHE A 125 -2.754 6.213 7.027 1.00 0.00 O ATOM 0 H PHE A 125 -1.695 3.837 9.856 1.00 0.00 H new ATOM 0 HA PHE A 125 -1.438 6.718 9.048 1.00 0.00 H new ATOM 0 HB2 PHE A 125 0.738 6.110 9.358 1.00 0.00 H new ATOM 0 HB3 PHE A 125 0.356 4.400 9.395 1.00 0.00 H new ATOM 0 HD1 PHE A 125 0.929 7.284 7.071 1.00 0.00 H new ATOM 0 HD2 PHE A 125 0.677 3.017 7.503 1.00 0.00 H new ATOM 0 HE1 PHE A 125 1.816 6.992 4.772 1.00 0.00 H new ATOM 0 HE2 PHE A 125 1.549 2.725 5.203 1.00 0.00 H new ATOM 0 HZ PHE A 125 2.113 4.717 3.835 1.00 0.00 H new TER 1556 PHE A 125