USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 661 hydrogens (30 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 NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 201 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 201 HEMFE :(H bumps) USER MOD Set 1.1: A 15 HIS : no HD1:sc= 0.932 K(o=2,f=-6.6!) USER MOD Set 1.2: A 20 SER OG : rot 129:sc= 1.08 USER MOD Set 2.1: A 13 GLN : amide:sc= 0.213 K(o=-0.047,f=-3.9) USER MOD Set 2.2: A 16 ASN : amide:sc= -0.261 K(o=-0.047,f=-2.4) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 169:sc= 0 USER MOD Single : A 8 THR OG1 : rot 122:sc= 1.54 USER MOD Single : A 14 LYS NZ :NH3+ 172:sc= 1.2 (180deg=1.07) USER MOD Single : A 17 ASN : amide:sc= -0.577 K(o=-0.58,f=-3.9!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00504) USER MOD Single : A 21 THR OG1 : rot -160:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.00012) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -152:sc= 0.604 (180deg=-0.144!) USER MOD Single : A 30 TYR OH : rot 30:sc= 0 USER MOD Single : A 33 THR OG1 : rot -170:sc= -0.343 USER MOD Single : A 34 LYS NZ :NH3+ 172:sc= 2 (180deg=1.82!) USER MOD Single : A 49 GLN : amide:sc= -0.123 K(o=-0.12,f=-1.1) USER MOD Single : A 55 THR OG1 : rot 24:sc= 1.16 USER MOD Single : A 57 ASN : amide:sc= -0.0803 K(o=-0.08,f=-3.5!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0905 USER MOD Single : A 71 SER OG : rot -39:sc= 1.24 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.854 K(o=-0.85,f=-4.9!) USER MOD Single : A 201 HEM CMA :methyl 150:sc= -0.207 (180deg=-0.207) USER MOD Single : A 201 HEM CMB :methyl -30:sc= -0.0564 (180deg=-0.555) USER MOD Single : A 201 HEM CMC :methyl 150:sc= -0.0475 (180deg=-0.0475) USER MOD Single : A 201 HEM CMD :methyl -30:sc= -0.0454 (180deg=-1.29) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 0.858 -7.556 -20.257 1.00 10.00 N ATOM 2 CA ALA A 3 -0.519 -7.266 -19.818 1.00 10.00 C ATOM 3 C ALA A 3 -0.458 -6.905 -18.338 1.00 10.00 C ATOM 4 O ALA A 3 0.653 -6.735 -17.842 1.00 10.00 O ATOM 5 CB ALA A 3 -1.127 -6.122 -20.636 1.00 10.00 C ATOM 0 HA ALA A 3 -1.157 -8.136 -19.972 1.00 10.00 H new ATOM 0 HB1 ALA A 3 -2.143 -5.929 -20.292 1.00 10.00 H new ATOM 0 HB2 ALA A 3 -0.523 -5.223 -20.509 1.00 10.00 H new ATOM 0 HB3 ALA A 3 -1.148 -6.399 -21.690 1.00 10.00 H new ATOM 13 N VAL A 4 -1.601 -6.792 -17.658 1.00 10.00 N ATOM 14 CA VAL A 4 -1.667 -6.483 -16.236 1.00 10.00 C ATOM 15 C VAL A 4 -2.146 -7.729 -15.500 1.00 10.00 C ATOM 16 O VAL A 4 -3.151 -8.328 -15.878 1.00 10.00 O ATOM 17 CB VAL A 4 -2.613 -5.299 -15.991 1.00 10.00 C ATOM 18 CG1 VAL A 4 -2.780 -4.993 -14.495 1.00 10.00 C ATOM 19 CG2 VAL A 4 -2.080 -4.046 -16.695 1.00 10.00 C ATOM 0 H VAL A 4 -2.517 -6.915 -18.090 1.00 10.00 H new ATOM 0 HA VAL A 4 -0.683 -6.196 -15.865 1.00 10.00 H new ATOM 0 HB VAL A 4 -3.586 -5.578 -16.395 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -3.458 -4.148 -14.370 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -3.191 -5.866 -13.989 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -1.810 -4.747 -14.063 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -2.758 -3.212 -16.515 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -1.092 -3.802 -16.304 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -2.010 -4.233 -17.767 1.00 10.00 H new ATOM 29 N LYS A 5 -1.426 -8.098 -14.443 1.00 10.00 N ATOM 30 CA LYS A 5 -1.833 -9.145 -13.522 1.00 10.00 C ATOM 31 C LYS A 5 -2.591 -8.470 -12.385 1.00 10.00 C ATOM 32 O LYS A 5 -1.998 -8.056 -11.393 1.00 10.00 O ATOM 33 CB LYS A 5 -0.611 -9.944 -13.047 1.00 10.00 C ATOM 34 CG LYS A 5 -1.019 -11.047 -12.058 1.00 10.00 C ATOM 35 CD LYS A 5 0.137 -12.032 -11.840 1.00 10.00 C ATOM 36 CE LYS A 5 -0.235 -13.053 -10.754 1.00 10.00 C ATOM 37 NZ LYS A 5 0.809 -14.083 -10.570 1.00 10.00 N ATOM 0 H LYS A 5 -0.532 -7.669 -14.203 1.00 10.00 H new ATOM 0 HA LYS A 5 -2.488 -9.874 -13.999 1.00 10.00 H new ATOM 0 HB2 LYS A 5 -0.108 -10.389 -13.905 1.00 10.00 H new ATOM 0 HB3 LYS A 5 0.104 -9.272 -12.572 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -1.308 -10.601 -11.106 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -1.891 -11.580 -12.438 1.00 10.00 H new ATOM 0 HD2 LYS A 5 0.365 -12.548 -12.772 1.00 10.00 H new ATOM 0 HD3 LYS A 5 1.036 -11.490 -11.547 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -0.399 -12.533 -9.810 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -1.176 -13.536 -11.019 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 0.513 -14.749 -9.828 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 0.949 -14.599 -11.462 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 1.701 -13.627 -10.291 1.00 10.00 H new ATOM 51 N TYR A 6 -3.904 -8.331 -12.553 1.00 10.00 N ATOM 52 CA TYR A 6 -4.771 -7.826 -11.503 1.00 10.00 C ATOM 53 C TYR A 6 -4.767 -8.785 -10.309 1.00 10.00 C ATOM 54 O TYR A 6 -4.467 -9.967 -10.479 1.00 10.00 O ATOM 55 CB TYR A 6 -6.185 -7.625 -12.046 1.00 10.00 C ATOM 56 CG TYR A 6 -6.291 -6.783 -13.302 1.00 10.00 C ATOM 57 CD1 TYR A 6 -6.185 -7.372 -14.575 1.00 10.00 C ATOM 58 CD2 TYR A 6 -6.532 -5.404 -13.192 1.00 10.00 C ATOM 59 CE1 TYR A 6 -6.231 -6.566 -15.726 1.00 10.00 C ATOM 60 CE2 TYR A 6 -6.572 -4.596 -14.340 1.00 10.00 C ATOM 61 CZ TYR A 6 -6.400 -5.177 -15.608 1.00 10.00 C ATOM 62 OH TYR A 6 -6.380 -4.396 -16.724 1.00 10.00 O ATOM 0 H TYR A 6 -4.391 -8.565 -13.418 1.00 10.00 H new ATOM 0 HA TYR A 6 -4.398 -6.861 -11.161 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -6.620 -8.604 -12.249 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -6.791 -7.162 -11.268 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -6.068 -8.442 -14.668 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -6.688 -4.962 -12.219 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -6.136 -7.016 -16.703 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -6.734 -3.532 -14.249 1.00 10.00 H new ATOM 0 HH TYR A 6 -6.512 -3.459 -16.470 1.00 10.00 H new ATOM 72 N TYR A 7 -5.099 -8.284 -9.114 1.00 10.00 N ATOM 73 CA TYR A 7 -5.124 -9.079 -7.894 1.00 10.00 C ATOM 74 C TYR A 7 -6.472 -8.944 -7.201 1.00 10.00 C ATOM 75 O TYR A 7 -7.060 -7.863 -7.149 1.00 10.00 O ATOM 76 CB TYR A 7 -3.993 -8.661 -6.953 1.00 10.00 C ATOM 77 CG TYR A 7 -2.634 -8.583 -7.618 1.00 10.00 C ATOM 78 CD1 TYR A 7 -1.891 -9.755 -7.849 1.00 10.00 C ATOM 79 CD2 TYR A 7 -2.128 -7.340 -8.037 1.00 10.00 C ATOM 80 CE1 TYR A 7 -0.602 -9.672 -8.405 1.00 10.00 C ATOM 81 CE2 TYR A 7 -0.858 -7.264 -8.626 1.00 10.00 C ATOM 82 CZ TYR A 7 -0.088 -8.424 -8.796 1.00 10.00 C ATOM 83 OH TYR A 7 1.185 -8.326 -9.272 1.00 10.00 O ATOM 0 H TYR A 7 -5.359 -7.308 -8.972 1.00 10.00 H new ATOM 0 HA TYR A 7 -4.975 -10.125 -8.162 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -4.232 -7.688 -6.524 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -3.941 -9.370 -6.127 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -2.310 -10.718 -7.599 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -2.717 -6.444 -7.905 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -0.008 -10.565 -8.531 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -0.471 -6.309 -8.950 1.00 10.00 H new ATOM 0 HH TYR A 7 1.320 -7.438 -9.664 1.00 10.00 H new ATOM 93 N THR A 8 -6.965 -10.074 -6.709 1.00 10.00 N ATOM 94 CA THR A 8 -8.213 -10.247 -6.001 1.00 10.00 C ATOM 95 C THR A 8 -8.038 -9.823 -4.541 1.00 10.00 C ATOM 96 O THR A 8 -6.949 -9.945 -3.978 1.00 10.00 O ATOM 97 CB THR A 8 -8.575 -11.737 -6.133 1.00 10.00 C ATOM 98 OG1 THR A 8 -7.382 -12.492 -6.254 1.00 10.00 O ATOM 99 CG2 THR A 8 -9.347 -11.976 -7.429 1.00 10.00 C ATOM 0 H THR A 8 -6.460 -10.955 -6.805 1.00 10.00 H new ATOM 0 HA THR A 8 -9.014 -9.631 -6.409 1.00 10.00 H new ATOM 0 HB THR A 8 -9.163 -12.024 -5.261 1.00 10.00 H new ATOM 0 HG1 THR A 8 -7.339 -13.153 -5.532 1.00 10.00 H new ATOM 0 HG21 THR A 8 -9.598 -13.033 -7.513 1.00 10.00 H new ATOM 0 HG22 THR A 8 -10.263 -11.385 -7.421 1.00 10.00 H new ATOM 0 HG23 THR A 8 -8.732 -11.681 -8.279 1.00 10.00 H new ATOM 107 N LEU A 9 -9.113 -9.319 -3.928 1.00 10.00 N ATOM 108 CA LEU A 9 -9.092 -8.809 -2.562 1.00 10.00 C ATOM 109 C LEU A 9 -8.489 -9.850 -1.619 1.00 10.00 C ATOM 110 O LEU A 9 -7.614 -9.535 -0.821 1.00 10.00 O ATOM 111 CB LEU A 9 -10.515 -8.428 -2.126 1.00 10.00 C ATOM 112 CG LEU A 9 -10.572 -7.125 -1.306 1.00 10.00 C ATOM 113 CD1 LEU A 9 -12.013 -6.860 -0.853 1.00 10.00 C ATOM 114 CD2 LEU A 9 -9.667 -7.152 -0.069 1.00 10.00 C ATOM 0 H LEU A 9 -10.028 -9.255 -4.373 1.00 10.00 H new ATOM 0 HA LEU A 9 -8.469 -7.916 -2.521 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -11.142 -8.320 -3.011 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -10.936 -9.241 -1.534 1.00 10.00 H new ATOM 0 HG LEU A 9 -10.213 -6.331 -1.961 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -12.048 -5.938 -0.273 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -12.657 -6.764 -1.727 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -12.359 -7.689 -0.236 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -9.753 -6.206 0.465 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -9.971 -7.968 0.587 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -8.633 -7.302 -0.378 1.00 10.00 H new ATOM 126 N GLU A 10 -8.956 -11.094 -1.753 1.00 10.00 N ATOM 127 CA GLU A 10 -8.493 -12.260 -1.013 1.00 10.00 C ATOM 128 C GLU A 10 -6.968 -12.331 -1.030 1.00 10.00 C ATOM 129 O GLU A 10 -6.322 -12.232 0.011 1.00 10.00 O ATOM 130 CB GLU A 10 -9.140 -13.505 -1.634 1.00 10.00 C ATOM 131 CG GLU A 10 -8.788 -14.843 -0.964 1.00 10.00 C ATOM 132 CD GLU A 10 -9.302 -15.003 0.462 1.00 10.00 C ATOM 133 OE1 GLU A 10 -10.078 -14.139 0.916 1.00 10.00 O ATOM 134 OE2 GLU A 10 -8.881 -16.000 1.092 1.00 10.00 O ATOM 0 H GLU A 10 -9.701 -11.321 -2.412 1.00 10.00 H new ATOM 0 HA GLU A 10 -8.787 -12.195 0.035 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -10.223 -13.380 -1.608 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -8.850 -13.558 -2.683 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -9.189 -15.654 -1.572 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -7.704 -14.955 -0.958 1.00 10.00 H new ATOM 141 N GLU A 11 -6.392 -12.487 -2.221 1.00 10.00 N ATOM 142 CA GLU A 11 -4.964 -12.521 -2.451 1.00 10.00 C ATOM 143 C GLU A 11 -4.296 -11.325 -1.786 1.00 10.00 C ATOM 144 O GLU A 11 -3.402 -11.511 -0.968 1.00 10.00 O ATOM 145 CB GLU A 11 -4.701 -12.571 -3.959 1.00 10.00 C ATOM 146 CG GLU A 11 -4.744 -14.011 -4.493 1.00 10.00 C ATOM 147 CD GLU A 11 -6.007 -14.752 -4.079 1.00 10.00 C ATOM 148 OE1 GLU A 11 -7.087 -14.142 -4.247 1.00 10.00 O ATOM 149 OE2 GLU A 11 -5.866 -15.884 -3.571 1.00 10.00 O ATOM 0 H GLU A 11 -6.934 -12.596 -3.078 1.00 10.00 H new ATOM 0 HA GLU A 11 -4.530 -13.415 -2.003 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -5.445 -11.967 -4.479 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -3.727 -12.132 -4.174 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -4.678 -13.993 -5.581 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -3.872 -14.555 -4.130 1.00 10.00 H new ATOM 156 N ILE A 12 -4.737 -10.104 -2.095 1.00 10.00 N ATOM 157 CA ILE A 12 -4.138 -8.911 -1.489 1.00 10.00 C ATOM 158 C ILE A 12 -4.142 -9.039 0.051 1.00 10.00 C ATOM 159 O ILE A 12 -3.122 -8.803 0.698 1.00 10.00 O ATOM 160 CB ILE A 12 -4.798 -7.620 -2.022 1.00 10.00 C ATOM 161 CG1 ILE A 12 -4.773 -7.557 -3.566 1.00 10.00 C ATOM 162 CG2 ILE A 12 -4.065 -6.368 -1.506 1.00 10.00 C ATOM 163 CD1 ILE A 12 -5.786 -6.554 -4.117 1.00 10.00 C ATOM 0 H ILE A 12 -5.495 -9.915 -2.751 1.00 10.00 H new ATOM 0 HA ILE A 12 -3.092 -8.835 -1.786 1.00 10.00 H new ATOM 0 HB ILE A 12 -5.828 -7.640 -1.665 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -3.773 -7.283 -3.901 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -4.985 -8.546 -3.972 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -4.551 -5.474 -1.897 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -4.097 -6.351 -0.417 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -3.027 -6.391 -1.838 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -5.733 -6.544 -5.206 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -6.790 -6.842 -3.806 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -5.559 -5.559 -3.733 1.00 10.00 H new ATOM 175 N GLN A 13 -5.250 -9.511 0.631 1.00 10.00 N ATOM 176 CA GLN A 13 -5.424 -9.763 2.058 1.00 10.00 C ATOM 177 C GLN A 13 -4.525 -10.867 2.629 1.00 10.00 C ATOM 178 O GLN A 13 -4.486 -11.031 3.843 1.00 10.00 O ATOM 179 CB GLN A 13 -6.898 -10.089 2.347 1.00 10.00 C ATOM 180 CG GLN A 13 -7.717 -8.844 2.706 1.00 10.00 C ATOM 181 CD GLN A 13 -7.307 -8.227 4.042 1.00 10.00 C ATOM 182 OE1 GLN A 13 -6.692 -8.876 4.883 1.00 10.00 O ATOM 183 NE2 GLN A 13 -7.637 -6.956 4.254 1.00 10.00 N ATOM 0 H GLN A 13 -6.085 -9.737 0.091 1.00 10.00 H new ATOM 0 HA GLN A 13 -5.118 -8.846 2.562 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -7.338 -10.570 1.473 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -6.954 -10.805 3.167 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -7.602 -8.100 1.918 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -8.774 -9.109 2.743 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -8.148 -6.436 3.541 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -7.379 -6.501 5.130 1.00 10.00 H new ATOM 192 N LYS A 14 -3.813 -11.637 1.804 1.00 10.00 N ATOM 193 CA LYS A 14 -2.757 -12.525 2.275 1.00 10.00 C ATOM 194 C LYS A 14 -1.472 -11.729 2.543 1.00 10.00 C ATOM 195 O LYS A 14 -0.687 -12.072 3.428 1.00 10.00 O ATOM 196 CB LYS A 14 -2.477 -13.635 1.246 1.00 10.00 C ATOM 197 CG LYS A 14 -3.715 -14.366 0.711 1.00 10.00 C ATOM 198 CD LYS A 14 -4.414 -15.260 1.742 1.00 10.00 C ATOM 199 CE LYS A 14 -5.816 -15.584 1.206 1.00 10.00 C ATOM 200 NZ LYS A 14 -6.536 -16.576 2.026 1.00 10.00 N ATOM 0 H LYS A 14 -3.954 -11.660 0.794 1.00 10.00 H new ATOM 0 HA LYS A 14 -3.092 -12.987 3.204 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -1.942 -13.198 0.403 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -1.811 -14.369 1.701 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -4.428 -13.628 0.344 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -3.421 -14.977 -0.143 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -3.845 -16.176 1.902 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -4.480 -14.753 2.705 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -6.402 -14.666 1.160 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -5.730 -15.959 0.186 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -7.519 -16.652 1.695 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -6.069 -17.501 1.941 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -6.528 -16.275 3.021 1.00 10.00 H new ATOM 214 N HIS A 15 -1.221 -10.689 1.745 1.00 10.00 N ATOM 215 CA HIS A 15 0.052 -9.980 1.733 1.00 10.00 C ATOM 216 C HIS A 15 -0.004 -8.820 2.727 1.00 10.00 C ATOM 217 O HIS A 15 0.004 -7.656 2.331 1.00 10.00 O ATOM 218 CB HIS A 15 0.365 -9.484 0.316 1.00 10.00 C ATOM 219 CG HIS A 15 0.783 -10.553 -0.663 1.00 10.00 C ATOM 220 ND1 HIS A 15 2.040 -10.714 -1.191 1.00 10.00 N ATOM 221 CD2 HIS A 15 -0.019 -11.494 -1.243 1.00 10.00 C ATOM 222 CE1 HIS A 15 1.995 -11.729 -2.068 1.00 10.00 C ATOM 223 NE2 HIS A 15 0.757 -12.243 -2.133 1.00 10.00 N ATOM 0 H HIS A 15 -1.903 -10.315 1.085 1.00 10.00 H new ATOM 0 HA HIS A 15 0.853 -10.655 2.034 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -0.517 -8.979 -0.078 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.159 -8.739 0.376 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -1.072 -11.635 -1.048 1.00 10.00 H new ATOM 0 HE1 HIS A 15 2.838 -12.083 -2.642 1.00 10.00 H new ATOM 0 HE2 HIS A 15 0.445 -13.022 -2.714 1.00 10.00 H new ATOM 231 N ASN A 16 -0.077 -9.128 4.023 1.00 10.00 N ATOM 232 CA ASN A 16 -0.287 -8.115 5.053 1.00 10.00 C ATOM 233 C ASN A 16 0.118 -8.601 6.436 1.00 10.00 C ATOM 234 O ASN A 16 -0.702 -8.719 7.343 1.00 10.00 O ATOM 235 CB ASN A 16 -1.737 -7.627 5.050 1.00 10.00 C ATOM 236 CG ASN A 16 -2.777 -8.714 5.269 1.00 10.00 C ATOM 237 OD1 ASN A 16 -2.463 -9.900 5.327 1.00 10.00 O ATOM 238 ND2 ASN A 16 -4.031 -8.286 5.359 1.00 10.00 N ATOM 0 H ASN A 16 0.007 -10.078 4.384 1.00 10.00 H new ATOM 0 HA ASN A 16 0.363 -7.275 4.809 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -1.853 -6.871 5.827 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -1.939 -7.138 4.097 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -4.791 -8.955 5.483 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -4.234 -7.288 5.304 1.00 10.00 H new ATOM 245 N ASN A 17 1.415 -8.841 6.620 1.00 10.00 N ATOM 246 CA ASN A 17 1.941 -9.191 7.935 1.00 10.00 C ATOM 247 C ASN A 17 3.418 -8.818 8.015 1.00 10.00 C ATOM 248 O ASN A 17 3.823 -7.941 8.776 1.00 10.00 O ATOM 249 CB ASN A 17 1.677 -10.682 8.206 1.00 10.00 C ATOM 250 CG ASN A 17 2.139 -11.155 9.583 1.00 10.00 C ATOM 251 OD1 ASN A 17 3.076 -10.621 10.165 1.00 10.00 O ATOM 252 ND2 ASN A 17 1.502 -12.198 10.108 1.00 10.00 N ATOM 0 H ASN A 17 2.116 -8.800 5.880 1.00 10.00 H new ATOM 0 HA ASN A 17 1.434 -8.627 8.718 1.00 10.00 H new ATOM 0 HB2 ASN A 17 0.609 -10.875 8.106 1.00 10.00 H new ATOM 0 HB3 ASN A 17 2.181 -11.274 7.442 1.00 10.00 H new ATOM 0 HD21 ASN A 17 1.791 -12.569 11.013 1.00 10.00 H new ATOM 0 HD22 ASN A 17 0.725 -12.627 9.606 1.00 10.00 H new ATOM 259 N SER A 18 4.236 -9.495 7.213 1.00 10.00 N ATOM 260 CA SER A 18 5.682 -9.357 7.261 1.00 10.00 C ATOM 261 C SER A 18 6.269 -9.860 5.945 1.00 10.00 C ATOM 262 O SER A 18 7.057 -9.159 5.318 1.00 10.00 O ATOM 263 CB SER A 18 6.226 -10.106 8.488 1.00 10.00 C ATOM 264 OG SER A 18 7.636 -10.051 8.534 1.00 10.00 O ATOM 0 H SER A 18 3.909 -10.157 6.509 1.00 10.00 H new ATOM 0 HA SER A 18 5.976 -8.313 7.372 1.00 10.00 H new ATOM 0 HB2 SER A 18 5.812 -9.670 9.397 1.00 10.00 H new ATOM 0 HB3 SER A 18 5.900 -11.146 8.457 1.00 10.00 H new ATOM 0 HG SER A 18 7.957 -10.533 9.324 1.00 10.00 H new ATOM 270 N LYS A 19 5.832 -11.049 5.507 1.00 10.00 N ATOM 271 CA LYS A 19 6.178 -11.607 4.205 1.00 10.00 C ATOM 272 C LYS A 19 6.036 -10.567 3.090 1.00 10.00 C ATOM 273 O LYS A 19 6.906 -10.469 2.230 1.00 10.00 O ATOM 274 CB LYS A 19 5.299 -12.832 3.912 1.00 10.00 C ATOM 275 CG LYS A 19 5.718 -14.077 4.716 1.00 10.00 C ATOM 276 CD LYS A 19 4.599 -14.579 5.644 1.00 10.00 C ATOM 277 CE LYS A 19 4.813 -16.038 6.081 1.00 10.00 C ATOM 278 NZ LYS A 19 6.112 -16.260 6.751 1.00 10.00 N ATOM 0 H LYS A 19 5.222 -11.652 6.058 1.00 10.00 H new ATOM 0 HA LYS A 19 7.224 -11.913 4.235 1.00 10.00 H new ATOM 0 HB2 LYS A 19 4.261 -12.591 4.140 1.00 10.00 H new ATOM 0 HB3 LYS A 19 5.346 -13.060 2.847 1.00 10.00 H new ATOM 0 HG2 LYS A 19 6.000 -14.873 4.027 1.00 10.00 H new ATOM 0 HG3 LYS A 19 6.601 -13.842 5.310 1.00 10.00 H new ATOM 0 HD2 LYS A 19 4.549 -13.941 6.527 1.00 10.00 H new ATOM 0 HD3 LYS A 19 3.640 -14.492 5.133 1.00 10.00 H new ATOM 0 HE2 LYS A 19 4.009 -16.330 6.756 1.00 10.00 H new ATOM 0 HE3 LYS A 19 4.747 -16.686 5.207 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 6.182 -17.253 7.051 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 6.885 -16.042 6.090 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 6.184 -15.641 7.583 1.00 10.00 H new ATOM 292 N SER A 20 4.942 -9.802 3.088 1.00 10.00 N ATOM 293 CA SER A 20 4.797 -8.633 2.251 1.00 10.00 C ATOM 294 C SER A 20 3.682 -7.745 2.804 1.00 10.00 C ATOM 295 O SER A 20 2.989 -8.146 3.746 1.00 10.00 O ATOM 296 CB SER A 20 4.593 -9.038 0.788 1.00 10.00 C ATOM 297 OG SER A 20 3.848 -10.233 0.702 1.00 10.00 O ATOM 0 H SER A 20 4.130 -9.988 3.677 1.00 10.00 H new ATOM 0 HA SER A 20 5.712 -8.041 2.268 1.00 10.00 H new ATOM 0 HB2 SER A 20 4.075 -8.241 0.253 1.00 10.00 H new ATOM 0 HB3 SER A 20 5.560 -9.171 0.304 1.00 10.00 H new ATOM 0 HG SER A 20 3.099 -10.108 0.082 1.00 10.00 H new ATOM 303 N THR A 21 3.562 -6.547 2.222 1.00 10.00 N ATOM 304 CA THR A 21 2.600 -5.517 2.577 1.00 10.00 C ATOM 305 C THR A 21 2.062 -4.926 1.277 1.00 10.00 C ATOM 306 O THR A 21 2.635 -3.980 0.730 1.00 10.00 O ATOM 307 CB THR A 21 3.267 -4.474 3.488 1.00 10.00 C ATOM 308 OG1 THR A 21 3.426 -5.059 4.768 1.00 10.00 O ATOM 309 CG2 THR A 21 2.455 -3.177 3.606 1.00 10.00 C ATOM 0 H THR A 21 4.168 -6.262 1.452 1.00 10.00 H new ATOM 0 HA THR A 21 1.761 -5.920 3.145 1.00 10.00 H new ATOM 0 HB THR A 21 4.226 -4.196 3.051 1.00 10.00 H new ATOM 0 HG1 THR A 21 3.544 -4.353 5.438 1.00 10.00 H new ATOM 0 HG21 THR A 21 2.976 -2.480 4.262 1.00 10.00 H new ATOM 0 HG22 THR A 21 2.339 -2.729 2.619 1.00 10.00 H new ATOM 0 HG23 THR A 21 1.472 -3.400 4.021 1.00 10.00 H new ATOM 317 N TRP A 22 0.970 -5.518 0.787 1.00 10.00 N ATOM 318 CA TRP A 22 0.177 -5.014 -0.315 1.00 10.00 C ATOM 319 C TRP A 22 -1.021 -4.267 0.260 1.00 10.00 C ATOM 320 O TRP A 22 -1.360 -4.436 1.430 1.00 10.00 O ATOM 321 CB TRP A 22 -0.323 -6.165 -1.187 1.00 10.00 C ATOM 322 CG TRP A 22 0.684 -7.002 -1.913 1.00 10.00 C ATOM 323 CD1 TRP A 22 2.020 -6.996 -1.732 1.00 10.00 C ATOM 324 CD2 TRP A 22 0.442 -7.952 -2.991 1.00 10.00 C ATOM 325 NE1 TRP A 22 2.619 -7.844 -2.635 1.00 10.00 N ATOM 326 CE2 TRP A 22 1.693 -8.466 -3.442 1.00 10.00 C ATOM 327 CE3 TRP A 22 -0.714 -8.406 -3.656 1.00 10.00 C ATOM 328 CZ2 TRP A 22 1.791 -9.380 -4.501 1.00 10.00 C ATOM 329 CZ3 TRP A 22 -0.634 -9.346 -4.696 1.00 10.00 C ATOM 330 CH2 TRP A 22 0.615 -9.835 -5.119 1.00 10.00 C ATOM 0 H TRP A 22 0.608 -6.393 1.167 1.00 10.00 H new ATOM 0 HA TRP A 22 0.789 -4.353 -0.929 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -0.911 -6.829 -0.554 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -1.003 -5.747 -1.929 1.00 10.00 H new ATOM 0 HD1 TRP A 22 2.542 -6.412 -0.989 1.00 10.00 H new ATOM 0 HE1 TRP A 22 3.626 -7.994 -2.699 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -1.680 -8.024 -3.360 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 2.757 -9.729 -4.836 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -1.537 -9.696 -5.174 1.00 10.00 H new ATOM 0 HH2 TRP A 22 0.670 -10.559 -5.918 1.00 10.00 H new ATOM 341 N LEU A 23 -1.684 -3.461 -0.567 1.00 10.00 N ATOM 342 CA LEU A 23 -2.843 -2.671 -0.187 1.00 10.00 C ATOM 343 C LEU A 23 -3.404 -1.996 -1.430 1.00 10.00 C ATOM 344 O LEU A 23 -2.726 -1.963 -2.458 1.00 10.00 O ATOM 345 CB LEU A 23 -2.512 -1.667 0.927 1.00 10.00 C ATOM 346 CG LEU A 23 -1.188 -0.914 0.721 1.00 10.00 C ATOM 347 CD1 LEU A 23 -1.370 0.335 -0.135 1.00 10.00 C ATOM 348 CD2 LEU A 23 -0.665 -0.468 2.081 1.00 10.00 C ATOM 0 H LEU A 23 -1.419 -3.339 -1.545 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.606 -3.327 0.231 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -3.322 -0.942 1.000 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.472 -2.197 1.879 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.496 -1.589 0.216 1.00 10.00 H new ATOM 0 HD11 LEU A 23 -0.410 0.837 -0.255 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -1.757 0.052 -1.114 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -2.074 1.010 0.352 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.275 0.068 1.951 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -1.395 0.189 2.554 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.500 -1.342 2.712 1.00 10.00 H new ATOM 360 N ILE A 24 -4.634 -1.484 -1.318 1.00 10.00 N ATOM 361 CA ILE A 24 -5.408 -0.913 -2.417 1.00 10.00 C ATOM 362 C ILE A 24 -5.581 0.583 -2.173 1.00 10.00 C ATOM 363 O ILE A 24 -6.288 0.980 -1.239 1.00 10.00 O ATOM 364 CB ILE A 24 -6.783 -1.596 -2.548 1.00 10.00 C ATOM 365 CG1 ILE A 24 -6.624 -3.064 -2.971 1.00 10.00 C ATOM 366 CG2 ILE A 24 -7.640 -0.862 -3.596 1.00 10.00 C ATOM 367 CD1 ILE A 24 -7.899 -3.867 -2.675 1.00 10.00 C ATOM 0 H ILE A 24 -5.132 -1.456 -0.428 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.871 -1.078 -3.351 1.00 10.00 H new ATOM 0 HB ILE A 24 -7.274 -1.556 -1.575 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.397 -3.116 -4.036 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -5.780 -3.508 -2.443 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -8.610 -1.352 -3.681 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -7.783 0.174 -3.288 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -7.135 -0.887 -4.561 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -7.757 -4.902 -2.985 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -8.110 -3.834 -1.606 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -8.736 -3.436 -3.224 1.00 10.00 H new ATOM 379 N LEU A 25 -4.966 1.395 -3.036 1.00 10.00 N ATOM 380 CA LEU A 25 -5.164 2.833 -3.094 1.00 10.00 C ATOM 381 C LEU A 25 -5.815 3.125 -4.447 1.00 10.00 C ATOM 382 O LEU A 25 -5.215 2.890 -5.493 1.00 10.00 O ATOM 383 CB LEU A 25 -3.826 3.567 -2.921 1.00 10.00 C ATOM 384 CG LEU A 25 -3.294 3.828 -1.507 1.00 10.00 C ATOM 385 CD1 LEU A 25 -3.800 2.812 -0.509 1.00 10.00 C ATOM 386 CD2 LEU A 25 -1.761 3.857 -1.501 1.00 10.00 C ATOM 0 H LEU A 25 -4.300 1.055 -3.730 1.00 10.00 H new ATOM 0 HA LEU A 25 -5.806 3.187 -2.287 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -3.067 2.997 -3.457 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -3.913 4.531 -3.422 1.00 10.00 H new ATOM 0 HG LEU A 25 -3.671 4.804 -1.201 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -3.396 3.039 0.478 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -4.889 2.849 -0.473 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -3.481 1.815 -0.811 1.00 10.00 H new ATOM 0 HD21 LEU A 25 -1.405 4.044 -0.488 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.378 2.898 -1.850 1.00 10.00 H new ATOM 0 HD23 LEU A 25 -1.410 4.650 -2.161 1.00 10.00 H new ATOM 398 N HIS A 26 -7.065 3.592 -4.433 1.00 10.00 N ATOM 399 CA HIS A 26 -7.818 3.994 -5.618 1.00 10.00 C ATOM 400 C HIS A 26 -7.887 2.855 -6.644 1.00 10.00 C ATOM 401 O HIS A 26 -7.653 3.060 -7.835 1.00 10.00 O ATOM 402 CB HIS A 26 -7.251 5.290 -6.216 1.00 10.00 C ATOM 403 CG HIS A 26 -7.067 6.395 -5.206 1.00 10.00 C ATOM 404 ND1 HIS A 26 -8.029 7.266 -4.744 1.00 10.00 N ATOM 405 CD2 HIS A 26 -5.903 6.681 -4.550 1.00 10.00 C ATOM 406 CE1 HIS A 26 -7.443 8.064 -3.830 1.00 10.00 C ATOM 407 NE2 HIS A 26 -6.145 7.749 -3.682 1.00 10.00 N ATOM 0 H HIS A 26 -7.596 3.703 -3.569 1.00 10.00 H new ATOM 0 HA HIS A 26 -8.844 4.206 -5.317 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -6.290 5.074 -6.684 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -7.918 5.638 -7.004 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -4.960 6.171 -4.680 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -7.948 8.851 -3.289 1.00 10.00 H new ATOM 0 HE2 HIS A 26 -5.472 8.199 -3.061 1.00 10.00 H new ATOM 415 N TYR A 27 -8.192 1.646 -6.158 1.00 10.00 N ATOM 416 CA TYR A 27 -8.310 0.415 -6.935 1.00 10.00 C ATOM 417 C TYR A 27 -6.974 -0.082 -7.503 1.00 10.00 C ATOM 418 O TYR A 27 -6.972 -1.027 -8.292 1.00 10.00 O ATOM 419 CB TYR A 27 -9.368 0.553 -8.040 1.00 10.00 C ATOM 420 CG TYR A 27 -10.688 1.145 -7.588 1.00 10.00 C ATOM 421 CD1 TYR A 27 -11.475 0.462 -6.643 1.00 10.00 C ATOM 422 CD2 TYR A 27 -11.137 2.371 -8.115 1.00 10.00 C ATOM 423 CE1 TYR A 27 -12.715 0.987 -6.244 1.00 10.00 C ATOM 424 CE2 TYR A 27 -12.376 2.898 -7.712 1.00 10.00 C ATOM 425 CZ TYR A 27 -13.170 2.202 -6.785 1.00 10.00 C ATOM 426 OH TYR A 27 -14.376 2.714 -6.414 1.00 10.00 O ATOM 0 H TYR A 27 -8.371 1.497 -5.165 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.641 -0.351 -6.234 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -8.961 1.175 -8.837 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -9.556 -0.432 -8.469 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -11.124 -0.469 -6.223 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -10.529 2.907 -8.829 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -13.319 0.457 -5.522 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -12.718 3.839 -8.116 1.00 10.00 H new ATOM 0 HH TYR A 27 -14.531 3.560 -6.884 1.00 10.00 H new ATOM 436 N LYS A 28 -5.845 0.527 -7.122 1.00 10.00 N ATOM 437 CA LYS A 28 -4.524 0.169 -7.621 1.00 10.00 C ATOM 438 C LYS A 28 -3.742 -0.480 -6.480 1.00 10.00 C ATOM 439 O LYS A 28 -3.790 0.019 -5.352 1.00 10.00 O ATOM 440 CB LYS A 28 -3.853 1.413 -8.222 1.00 10.00 C ATOM 441 CG LYS A 28 -4.718 1.923 -9.383 1.00 10.00 C ATOM 442 CD LYS A 28 -4.182 3.175 -10.080 1.00 10.00 C ATOM 443 CE LYS A 28 -5.280 3.856 -10.918 1.00 10.00 C ATOM 444 NZ LYS A 28 -6.197 2.909 -11.596 1.00 10.00 N ATOM 0 H LYS A 28 -5.830 1.293 -6.448 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.572 -0.561 -8.429 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -3.743 2.188 -7.463 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.851 1.169 -8.575 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -4.816 1.127 -10.121 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -5.719 2.134 -9.007 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -3.802 3.875 -9.336 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -3.344 2.906 -10.723 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -5.864 4.510 -10.270 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -4.809 4.490 -11.669 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -6.571 3.348 -12.461 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -5.679 2.042 -11.844 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -6.984 2.672 -10.959 1.00 10.00 H new ATOM 458 N VAL A 29 -3.096 -1.622 -6.754 1.00 10.00 N ATOM 459 CA VAL A 29 -2.394 -2.400 -5.744 1.00 10.00 C ATOM 460 C VAL A 29 -0.916 -2.004 -5.716 1.00 10.00 C ATOM 461 O VAL A 29 -0.252 -1.967 -6.758 1.00 10.00 O ATOM 462 CB VAL A 29 -2.557 -3.912 -5.962 1.00 10.00 C ATOM 463 CG1 VAL A 29 -2.222 -4.657 -4.662 1.00 10.00 C ATOM 464 CG2 VAL A 29 -3.984 -4.286 -6.358 1.00 10.00 C ATOM 0 H VAL A 29 -3.050 -2.027 -7.689 1.00 10.00 H new ATOM 0 HA VAL A 29 -2.841 -2.174 -4.776 1.00 10.00 H new ATOM 0 HB VAL A 29 -1.881 -4.193 -6.770 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -2.338 -5.730 -4.817 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -1.193 -4.441 -4.374 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -2.897 -4.330 -3.871 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -4.051 -5.364 -6.501 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -4.672 -3.981 -5.569 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -4.249 -3.779 -7.286 1.00 10.00 H new ATOM 474 N TYR A 30 -0.412 -1.727 -4.512 1.00 10.00 N ATOM 475 CA TYR A 30 0.958 -1.299 -4.269 1.00 10.00 C ATOM 476 C TYR A 30 1.610 -2.254 -3.275 1.00 10.00 C ATOM 477 O TYR A 30 1.132 -2.331 -2.145 1.00 10.00 O ATOM 478 CB TYR A 30 0.923 0.122 -3.693 1.00 10.00 C ATOM 479 CG TYR A 30 0.321 1.140 -4.638 1.00 10.00 C ATOM 480 CD1 TYR A 30 1.104 1.691 -5.664 1.00 10.00 C ATOM 481 CD2 TYR A 30 -1.053 1.427 -4.582 1.00 10.00 C ATOM 482 CE1 TYR A 30 0.531 2.583 -6.589 1.00 10.00 C ATOM 483 CE2 TYR A 30 -1.629 2.285 -5.533 1.00 10.00 C ATOM 484 CZ TYR A 30 -0.836 2.882 -6.522 1.00 10.00 C ATOM 485 OH TYR A 30 -1.406 3.708 -7.445 1.00 10.00 O ATOM 0 H TYR A 30 -0.965 -1.798 -3.658 1.00 10.00 H new ATOM 0 HA TYR A 30 1.535 -1.306 -5.194 1.00 10.00 H new ATOM 0 HB2 TYR A 30 0.351 0.116 -2.765 1.00 10.00 H new ATOM 0 HB3 TYR A 30 1.938 0.428 -3.440 1.00 10.00 H new ATOM 0 HD1 TYR A 30 2.149 1.430 -5.744 1.00 10.00 H new ATOM 0 HD2 TYR A 30 -1.666 0.988 -3.808 1.00 10.00 H new ATOM 0 HE1 TYR A 30 1.146 3.038 -7.352 1.00 10.00 H new ATOM 0 HE2 TYR A 30 -2.690 2.486 -5.502 1.00 10.00 H new ATOM 0 HH TYR A 30 -0.926 3.628 -8.296 1.00 10.00 H new ATOM 495 N ASP A 31 2.683 -2.955 -3.668 1.00 10.00 N ATOM 496 CA ASP A 31 3.521 -3.685 -2.716 1.00 10.00 C ATOM 497 C ASP A 31 4.621 -2.743 -2.258 1.00 10.00 C ATOM 498 O ASP A 31 5.397 -2.271 -3.087 1.00 10.00 O ATOM 499 CB ASP A 31 4.161 -4.939 -3.324 1.00 10.00 C ATOM 500 CG ASP A 31 4.876 -5.786 -2.266 1.00 10.00 C ATOM 501 OD1 ASP A 31 5.088 -5.286 -1.137 1.00 10.00 O ATOM 502 OD2 ASP A 31 5.124 -6.975 -2.567 1.00 10.00 O ATOM 0 H ASP A 31 2.988 -3.030 -4.638 1.00 10.00 H new ATOM 0 HA ASP A 31 2.891 -4.018 -1.891 1.00 10.00 H new ATOM 0 HB2 ASP A 31 3.392 -5.539 -3.811 1.00 10.00 H new ATOM 0 HB3 ASP A 31 4.873 -4.646 -4.096 1.00 10.00 H new ATOM 507 N LEU A 32 4.677 -2.453 -0.959 1.00 10.00 N ATOM 508 CA LEU A 32 5.717 -1.630 -0.379 1.00 10.00 C ATOM 509 C LEU A 32 6.485 -2.412 0.689 1.00 10.00 C ATOM 510 O LEU A 32 7.071 -1.807 1.583 1.00 10.00 O ATOM 511 CB LEU A 32 5.090 -0.352 0.182 1.00 10.00 C ATOM 512 CG LEU A 32 4.164 0.356 -0.829 1.00 10.00 C ATOM 513 CD1 LEU A 32 2.730 0.387 -0.291 1.00 10.00 C ATOM 514 CD2 LEU A 32 4.736 1.739 -1.134 1.00 10.00 C ATOM 0 H LEU A 32 3.993 -2.789 -0.281 1.00 10.00 H new ATOM 0 HA LEU A 32 6.440 -1.348 -1.145 1.00 10.00 H new ATOM 0 HB2 LEU A 32 4.521 -0.596 1.079 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.882 0.333 0.483 1.00 10.00 H new ATOM 0 HG LEU A 32 4.119 -0.189 -1.772 1.00 10.00 H new ATOM 0 HD11 LEU A 32 2.082 0.888 -1.010 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.378 -0.633 -0.135 1.00 10.00 H new ATOM 0 HD13 LEU A 32 2.708 0.927 0.655 1.00 10.00 H new ATOM 0 HD21 LEU A 32 4.090 2.250 -1.848 1.00 10.00 H new ATOM 0 HD22 LEU A 32 4.792 2.321 -0.214 1.00 10.00 H new ATOM 0 HD23 LEU A 32 5.735 1.634 -1.558 1.00 10.00 H new ATOM 526 N THR A 33 6.512 -3.746 0.603 1.00 10.00 N ATOM 527 CA THR A 33 7.216 -4.601 1.555 1.00 10.00 C ATOM 528 C THR A 33 8.648 -4.131 1.796 1.00 10.00 C ATOM 529 O THR A 33 9.071 -3.942 2.933 1.00 10.00 O ATOM 530 CB THR A 33 7.181 -6.064 1.089 1.00 10.00 C ATOM 531 OG1 THR A 33 7.782 -6.894 2.062 1.00 10.00 O ATOM 532 CG2 THR A 33 7.862 -6.365 -0.247 1.00 10.00 C ATOM 0 H THR A 33 6.040 -4.264 -0.138 1.00 10.00 H new ATOM 0 HA THR A 33 6.697 -4.530 2.511 1.00 10.00 H new ATOM 0 HB THR A 33 6.119 -6.264 0.948 1.00 10.00 H new ATOM 0 HG1 THR A 33 7.900 -7.795 1.696 1.00 10.00 H new ATOM 0 HG21 THR A 33 7.772 -7.428 -0.470 1.00 10.00 H new ATOM 0 HG22 THR A 33 7.384 -5.787 -1.038 1.00 10.00 H new ATOM 0 HG23 THR A 33 8.916 -6.095 -0.187 1.00 10.00 H new ATOM 540 N LYS A 34 9.382 -3.893 0.710 1.00 10.00 N ATOM 541 CA LYS A 34 10.789 -3.525 0.785 1.00 10.00 C ATOM 542 C LYS A 34 10.935 -2.037 1.141 1.00 10.00 C ATOM 543 O LYS A 34 12.045 -1.521 1.202 1.00 10.00 O ATOM 544 CB LYS A 34 11.489 -3.910 -0.528 1.00 10.00 C ATOM 545 CG LYS A 34 12.900 -4.500 -0.342 1.00 10.00 C ATOM 546 CD LYS A 34 13.983 -3.473 0.030 1.00 10.00 C ATOM 547 CE LYS A 34 14.202 -3.371 1.550 1.00 10.00 C ATOM 548 NZ LYS A 34 14.547 -2.003 1.976 1.00 10.00 N ATOM 0 H LYS A 34 9.017 -3.950 -0.241 1.00 10.00 H new ATOM 0 HA LYS A 34 11.282 -4.077 1.585 1.00 10.00 H new ATOM 0 HB2 LYS A 34 10.871 -4.635 -1.057 1.00 10.00 H new ATOM 0 HB3 LYS A 34 11.558 -3.027 -1.163 1.00 10.00 H new ATOM 0 HG2 LYS A 34 12.860 -5.263 0.435 1.00 10.00 H new ATOM 0 HG3 LYS A 34 13.194 -5.000 -1.265 1.00 10.00 H new ATOM 0 HD2 LYS A 34 14.921 -3.749 -0.451 1.00 10.00 H new ATOM 0 HD3 LYS A 34 13.701 -2.495 -0.359 1.00 10.00 H new ATOM 0 HE2 LYS A 34 13.298 -3.693 2.067 1.00 10.00 H new ATOM 0 HE3 LYS A 34 14.999 -4.053 1.846 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 14.552 -1.954 3.015 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 15.489 -1.754 1.613 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 13.844 -1.335 1.601 1.00 10.00 H new ATOM 562 N PHE A 35 9.816 -1.339 1.349 1.00 10.00 N ATOM 563 CA PHE A 35 9.767 0.073 1.661 1.00 10.00 C ATOM 564 C PHE A 35 9.258 0.292 3.089 1.00 10.00 C ATOM 565 O PHE A 35 9.076 1.435 3.486 1.00 10.00 O ATOM 566 CB PHE A 35 8.824 0.751 0.662 1.00 10.00 C ATOM 567 CG PHE A 35 9.114 2.217 0.396 1.00 10.00 C ATOM 568 CD1 PHE A 35 10.372 2.598 -0.105 1.00 10.00 C ATOM 569 CD2 PHE A 35 8.152 3.205 0.682 1.00 10.00 C ATOM 570 CE1 PHE A 35 10.688 3.954 -0.275 1.00 10.00 C ATOM 571 CE2 PHE A 35 8.460 4.565 0.490 1.00 10.00 C ATOM 572 CZ PHE A 35 9.732 4.940 0.023 1.00 10.00 C ATOM 0 H PHE A 35 8.891 -1.766 1.301 1.00 10.00 H new ATOM 0 HA PHE A 35 10.767 0.500 1.590 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.871 0.210 -0.283 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.802 0.660 1.031 1.00 10.00 H new ATOM 0 HD1 PHE A 35 11.099 1.842 -0.360 1.00 10.00 H new ATOM 0 HD2 PHE A 35 7.177 2.919 1.049 1.00 10.00 H new ATOM 0 HE1 PHE A 35 11.665 4.240 -0.635 1.00 10.00 H new ATOM 0 HE2 PHE A 35 7.718 5.321 0.702 1.00 10.00 H new ATOM 0 HZ PHE A 35 9.974 5.985 -0.107 1.00 10.00 H new ATOM 582 N LEU A 36 8.973 -0.762 3.862 1.00 10.00 N ATOM 583 CA LEU A 36 8.414 -0.609 5.198 1.00 10.00 C ATOM 584 C LEU A 36 9.301 0.271 6.074 1.00 10.00 C ATOM 585 O LEU A 36 8.860 1.312 6.557 1.00 10.00 O ATOM 586 CB LEU A 36 8.222 -1.991 5.832 1.00 10.00 C ATOM 587 CG LEU A 36 7.068 -2.774 5.195 1.00 10.00 C ATOM 588 CD1 LEU A 36 7.117 -4.217 5.704 1.00 10.00 C ATOM 589 CD2 LEU A 36 5.714 -2.142 5.528 1.00 10.00 C ATOM 0 H LEU A 36 9.123 -1.730 3.579 1.00 10.00 H new ATOM 0 HA LEU A 36 7.447 -0.114 5.117 1.00 10.00 H new ATOM 0 HB2 LEU A 36 9.144 -2.564 5.733 1.00 10.00 H new ATOM 0 HB3 LEU A 36 8.032 -1.875 6.899 1.00 10.00 H new ATOM 0 HG LEU A 36 7.180 -2.753 4.111 1.00 10.00 H new ATOM 0 HD11 LEU A 36 6.301 -4.788 5.259 1.00 10.00 H new ATOM 0 HD12 LEU A 36 8.069 -4.669 5.426 1.00 10.00 H new ATOM 0 HD13 LEU A 36 7.015 -4.224 6.789 1.00 10.00 H new ATOM 0 HD21 LEU A 36 4.917 -2.721 5.061 1.00 10.00 H new ATOM 0 HD22 LEU A 36 5.572 -2.135 6.609 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.687 -1.119 5.152 1.00 10.00 H new ATOM 601 N GLU A 37 10.545 -0.153 6.282 1.00 10.00 N ATOM 602 CA GLU A 37 11.525 0.584 7.059 1.00 10.00 C ATOM 603 C GLU A 37 11.794 1.962 6.437 1.00 10.00 C ATOM 604 O GLU A 37 12.072 2.929 7.143 1.00 10.00 O ATOM 605 CB GLU A 37 12.799 -0.264 7.238 1.00 10.00 C ATOM 606 CG GLU A 37 13.643 -0.545 5.977 1.00 10.00 C ATOM 607 CD GLU A 37 13.193 -1.716 5.110 1.00 10.00 C ATOM 608 OE1 GLU A 37 11.972 -1.947 4.987 1.00 10.00 O ATOM 609 OE2 GLU A 37 14.102 -2.345 4.524 1.00 10.00 O ATOM 0 H GLU A 37 10.901 -1.032 5.908 1.00 10.00 H new ATOM 0 HA GLU A 37 11.130 0.778 8.056 1.00 10.00 H new ATOM 0 HB2 GLU A 37 13.437 0.235 7.967 1.00 10.00 H new ATOM 0 HB3 GLU A 37 12.509 -1.222 7.671 1.00 10.00 H new ATOM 0 HG2 GLU A 37 13.648 0.354 5.361 1.00 10.00 H new ATOM 0 HG3 GLU A 37 14.672 -0.725 6.287 1.00 10.00 H new ATOM 616 N GLU A 38 11.714 2.037 5.107 1.00 10.00 N ATOM 617 CA GLU A 38 12.007 3.224 4.321 1.00 10.00 C ATOM 618 C GLU A 38 10.914 4.290 4.480 1.00 10.00 C ATOM 619 O GLU A 38 11.204 5.484 4.515 1.00 10.00 O ATOM 620 CB GLU A 38 12.188 2.801 2.857 1.00 10.00 C ATOM 621 CG GLU A 38 13.206 1.651 2.722 1.00 10.00 C ATOM 622 CD GLU A 38 13.695 1.411 1.297 1.00 10.00 C ATOM 623 OE1 GLU A 38 13.490 2.297 0.442 1.00 10.00 O ATOM 624 OE2 GLU A 38 14.289 0.328 1.092 1.00 10.00 O ATOM 0 H GLU A 38 11.433 1.242 4.533 1.00 10.00 H new ATOM 0 HA GLU A 38 12.928 3.684 4.679 1.00 10.00 H new ATOM 0 HB2 GLU A 38 11.228 2.488 2.446 1.00 10.00 H new ATOM 0 HB3 GLU A 38 12.523 3.656 2.269 1.00 10.00 H new ATOM 0 HG2 GLU A 38 14.065 1.865 3.357 1.00 10.00 H new ATOM 0 HG3 GLU A 38 12.753 0.734 3.098 1.00 10.00 H new ATOM 631 N HIS A 39 9.651 3.863 4.550 1.00 10.00 N ATOM 632 CA HIS A 39 8.481 4.727 4.593 1.00 10.00 C ATOM 633 C HIS A 39 8.520 5.616 5.843 1.00 10.00 C ATOM 634 O HIS A 39 8.341 5.110 6.952 1.00 10.00 O ATOM 635 CB HIS A 39 7.213 3.860 4.577 1.00 10.00 C ATOM 636 CG HIS A 39 5.916 4.630 4.660 1.00 10.00 C ATOM 637 ND1 HIS A 39 4.962 4.487 5.643 1.00 10.00 N ATOM 638 CD2 HIS A 39 5.407 5.472 3.706 1.00 10.00 C ATOM 639 CE1 HIS A 39 3.906 5.240 5.282 1.00 10.00 C ATOM 640 NE2 HIS A 39 4.127 5.871 4.112 1.00 10.00 N ATOM 0 H HIS A 39 9.412 2.872 4.579 1.00 10.00 H new ATOM 0 HA HIS A 39 8.476 5.379 3.720 1.00 10.00 H new ATOM 0 HB2 HIS A 39 7.208 3.266 3.663 1.00 10.00 H new ATOM 0 HB3 HIS A 39 7.258 3.161 5.412 1.00 10.00 H new ATOM 0 HD1 HIS A 39 5.041 3.918 6.486 1.00 10.00 H new ATOM 0 HD2 HIS A 39 5.907 5.776 2.798 1.00 10.00 H new ATOM 0 HE1 HIS A 39 2.996 5.327 5.858 1.00 10.00 H new ATOM 648 N PRO A 40 8.688 6.943 5.706 1.00 10.00 N ATOM 649 CA PRO A 40 8.805 7.833 6.853 1.00 10.00 C ATOM 650 C PRO A 40 7.504 7.879 7.658 1.00 10.00 C ATOM 651 O PRO A 40 7.530 8.140 8.857 1.00 10.00 O ATOM 652 CB PRO A 40 9.183 9.199 6.277 1.00 10.00 C ATOM 653 CG PRO A 40 8.568 9.164 4.880 1.00 10.00 C ATOM 654 CD PRO A 40 8.731 7.702 4.465 1.00 10.00 C ATOM 0 HA PRO A 40 9.561 7.488 7.559 1.00 10.00 H new ATOM 0 HB2 PRO A 40 8.779 10.015 6.876 1.00 10.00 H new ATOM 0 HB3 PRO A 40 10.264 9.336 6.239 1.00 10.00 H new ATOM 0 HG2 PRO A 40 7.520 9.465 4.893 1.00 10.00 H new ATOM 0 HG3 PRO A 40 9.084 9.837 4.195 1.00 10.00 H new ATOM 0 HD2 PRO A 40 7.934 7.394 3.788 1.00 10.00 H new ATOM 0 HD3 PRO A 40 9.673 7.545 3.940 1.00 10.00 H new ATOM 662 N GLY A 41 6.365 7.579 7.022 1.00 10.00 N ATOM 663 CA GLY A 41 5.096 7.427 7.716 1.00 10.00 C ATOM 664 C GLY A 41 5.043 6.205 8.634 1.00 10.00 C ATOM 665 O GLY A 41 4.041 6.009 9.319 1.00 10.00 O ATOM 0 H GLY A 41 6.305 7.437 6.014 1.00 10.00 H new ATOM 0 HA2 GLY A 41 4.905 8.323 8.306 1.00 10.00 H new ATOM 0 HA3 GLY A 41 4.295 7.353 6.980 1.00 10.00 H new ATOM 669 N GLY A 42 6.089 5.374 8.645 1.00 10.00 N ATOM 670 CA GLY A 42 6.228 4.262 9.563 1.00 10.00 C ATOM 671 C GLY A 42 5.886 2.944 8.880 1.00 10.00 C ATOM 672 O GLY A 42 4.963 2.872 8.061 1.00 10.00 O ATOM 0 H GLY A 42 6.873 5.465 7.999 1.00 10.00 H new ATOM 0 HA2 GLY A 42 7.249 4.225 9.943 1.00 10.00 H new ATOM 0 HA3 GLY A 42 5.574 4.411 10.422 1.00 10.00 H new ATOM 676 N GLU A 43 6.623 1.894 9.253 1.00 10.00 N ATOM 677 CA GLU A 43 6.345 0.532 8.842 1.00 10.00 C ATOM 678 C GLU A 43 5.031 0.056 9.457 1.00 10.00 C ATOM 679 O GLU A 43 4.211 -0.557 8.782 1.00 10.00 O ATOM 680 CB GLU A 43 7.510 -0.389 9.232 1.00 10.00 C ATOM 681 CG GLU A 43 7.985 -0.310 10.692 1.00 10.00 C ATOM 682 CD GLU A 43 8.929 -1.463 10.988 1.00 10.00 C ATOM 683 OE1 GLU A 43 8.428 -2.606 10.872 1.00 10.00 O ATOM 684 OE2 GLU A 43 10.100 -1.197 11.315 1.00 10.00 O ATOM 0 H GLU A 43 7.440 1.977 9.858 1.00 10.00 H new ATOM 0 HA GLU A 43 6.241 0.500 7.757 1.00 10.00 H new ATOM 0 HB2 GLU A 43 7.217 -1.418 9.023 1.00 10.00 H new ATOM 0 HB3 GLU A 43 8.357 -0.162 8.584 1.00 10.00 H new ATOM 0 HG2 GLU A 43 8.489 0.640 10.869 1.00 10.00 H new ATOM 0 HG3 GLU A 43 7.129 -0.347 11.365 1.00 10.00 H new ATOM 691 N ALA A 44 4.836 0.329 10.751 1.00 10.00 N ATOM 692 CA ALA A 44 3.683 -0.128 11.513 1.00 10.00 C ATOM 693 C ALA A 44 2.390 0.327 10.842 1.00 10.00 C ATOM 694 O ALA A 44 1.493 -0.475 10.606 1.00 10.00 O ATOM 695 CB ALA A 44 3.777 0.389 12.951 1.00 10.00 C ATOM 0 H ALA A 44 5.490 0.884 11.303 1.00 10.00 H new ATOM 0 HA ALA A 44 3.676 -1.218 11.540 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.912 0.045 13.519 1.00 10.00 H new ATOM 0 HB2 ALA A 44 4.689 0.012 13.414 1.00 10.00 H new ATOM 0 HB3 ALA A 44 3.797 1.479 12.945 1.00 10.00 H new ATOM 701 N VAL A 45 2.318 1.617 10.513 1.00 10.00 N ATOM 702 CA VAL A 45 1.171 2.233 9.866 1.00 10.00 C ATOM 703 C VAL A 45 0.830 1.489 8.566 1.00 10.00 C ATOM 704 O VAL A 45 -0.299 1.028 8.385 1.00 10.00 O ATOM 705 CB VAL A 45 1.484 3.729 9.676 1.00 10.00 C ATOM 706 CG1 VAL A 45 0.439 4.438 8.817 1.00 10.00 C ATOM 707 CG2 VAL A 45 1.553 4.430 11.041 1.00 10.00 C ATOM 0 H VAL A 45 3.077 2.274 10.696 1.00 10.00 H new ATOM 0 HA VAL A 45 0.272 2.159 10.478 1.00 10.00 H new ATOM 0 HB VAL A 45 2.444 3.787 9.164 1.00 10.00 H new ATOM 0 HG11 VAL A 45 0.706 5.490 8.714 1.00 10.00 H new ATOM 0 HG12 VAL A 45 0.403 3.974 7.831 1.00 10.00 H new ATOM 0 HG13 VAL A 45 -0.539 4.357 9.292 1.00 10.00 H new ATOM 0 HG21 VAL A 45 1.775 5.487 10.896 1.00 10.00 H new ATOM 0 HG22 VAL A 45 0.596 4.327 11.552 1.00 10.00 H new ATOM 0 HG23 VAL A 45 2.338 3.974 11.645 1.00 10.00 H new ATOM 717 N LEU A 46 1.814 1.323 7.676 1.00 10.00 N ATOM 718 CA LEU A 46 1.632 0.540 6.458 1.00 10.00 C ATOM 719 C LEU A 46 1.170 -0.884 6.780 1.00 10.00 C ATOM 720 O LEU A 46 0.208 -1.375 6.199 1.00 10.00 O ATOM 721 CB LEU A 46 2.937 0.495 5.646 1.00 10.00 C ATOM 722 CG LEU A 46 3.079 1.648 4.643 1.00 10.00 C ATOM 723 CD1 LEU A 46 4.497 1.629 4.060 1.00 10.00 C ATOM 724 CD2 LEU A 46 2.098 1.500 3.475 1.00 10.00 C ATOM 0 H LEU A 46 2.746 1.724 7.781 1.00 10.00 H new ATOM 0 HA LEU A 46 0.859 1.026 5.863 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.783 0.516 6.333 1.00 10.00 H new ATOM 0 HB3 LEU A 46 2.987 -0.451 5.108 1.00 10.00 H new ATOM 0 HG LEU A 46 2.871 2.578 5.172 1.00 10.00 H new ATOM 0 HD11 LEU A 46 4.608 2.445 3.346 1.00 10.00 H new ATOM 0 HD12 LEU A 46 5.223 1.750 4.864 1.00 10.00 H new ATOM 0 HD13 LEU A 46 4.670 0.679 3.555 1.00 10.00 H new ATOM 0 HD21 LEU A 46 2.226 2.333 2.784 1.00 10.00 H new ATOM 0 HD22 LEU A 46 2.292 0.563 2.953 1.00 10.00 H new ATOM 0 HD23 LEU A 46 1.077 1.498 3.856 1.00 10.00 H new ATOM 736 N ARG A 47 1.869 -1.552 7.697 1.00 10.00 N ATOM 737 CA ARG A 47 1.669 -2.957 8.017 1.00 10.00 C ATOM 738 C ARG A 47 0.250 -3.170 8.545 1.00 10.00 C ATOM 739 O ARG A 47 -0.385 -4.176 8.250 1.00 10.00 O ATOM 740 CB ARG A 47 2.743 -3.384 9.028 1.00 10.00 C ATOM 741 CG ARG A 47 2.675 -4.876 9.369 1.00 10.00 C ATOM 742 CD ARG A 47 3.768 -5.264 10.373 1.00 10.00 C ATOM 743 NE ARG A 47 5.111 -5.251 9.763 1.00 10.00 N ATOM 744 CZ ARG A 47 6.116 -4.407 10.061 1.00 10.00 C ATOM 745 NH1 ARG A 47 5.929 -3.360 10.864 1.00 10.00 N ATOM 746 NH2 ARG A 47 7.344 -4.591 9.569 1.00 10.00 N ATOM 0 H ARG A 47 2.608 -1.116 8.249 1.00 10.00 H new ATOM 0 HA ARG A 47 1.772 -3.579 7.128 1.00 10.00 H new ATOM 0 HB2 ARG A 47 3.729 -3.152 8.624 1.00 10.00 H new ATOM 0 HB3 ARG A 47 2.628 -2.801 9.942 1.00 10.00 H new ATOM 0 HG2 ARG A 47 1.695 -5.113 9.784 1.00 10.00 H new ATOM 0 HG3 ARG A 47 2.787 -5.466 8.459 1.00 10.00 H new ATOM 0 HD2 ARG A 47 3.747 -4.574 11.216 1.00 10.00 H new ATOM 0 HD3 ARG A 47 3.560 -6.258 10.769 1.00 10.00 H new ATOM 0 HE ARG A 47 5.296 -5.951 9.044 1.00 10.00 H new ATOM 0 HH11 ARG A 47 5.009 -3.185 11.267 1.00 10.00 H new ATOM 0 HH12 ARG A 47 6.706 -2.734 11.075 1.00 10.00 H new ATOM 0 HH21 ARG A 47 7.534 -5.383 8.955 1.00 10.00 H new ATOM 0 HH22 ARG A 47 8.092 -3.939 9.807 1.00 10.00 H new ATOM 760 N ALA A 48 -0.240 -2.208 9.324 1.00 10.00 N ATOM 761 CA ALA A 48 -1.570 -2.214 9.896 1.00 10.00 C ATOM 762 C ALA A 48 -2.633 -2.091 8.803 1.00 10.00 C ATOM 763 O ALA A 48 -3.592 -2.856 8.786 1.00 10.00 O ATOM 764 CB ALA A 48 -1.651 -1.064 10.899 1.00 10.00 C ATOM 0 H ALA A 48 0.300 -1.381 9.578 1.00 10.00 H new ATOM 0 HA ALA A 48 -1.762 -3.157 10.407 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -2.644 -1.042 11.348 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -0.903 -1.208 11.679 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -1.464 -0.120 10.387 1.00 10.00 H new ATOM 770 N GLN A 49 -2.475 -1.119 7.898 1.00 10.00 N ATOM 771 CA GLN A 49 -3.414 -0.903 6.803 1.00 10.00 C ATOM 772 C GLN A 49 -3.257 -1.933 5.674 1.00 10.00 C ATOM 773 O GLN A 49 -4.122 -2.034 4.806 1.00 10.00 O ATOM 774 CB GLN A 49 -3.238 0.532 6.291 1.00 10.00 C ATOM 775 CG GLN A 49 -4.114 1.527 7.067 1.00 10.00 C ATOM 776 CD GLN A 49 -5.608 1.353 6.808 1.00 10.00 C ATOM 777 OE1 GLN A 49 -6.014 0.682 5.869 1.00 10.00 O ATOM 778 NE2 GLN A 49 -6.450 1.976 7.627 1.00 10.00 N ATOM 0 H GLN A 49 -1.693 -0.464 7.908 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.428 -1.041 7.178 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -2.191 0.824 6.380 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.492 0.574 5.232 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -3.922 1.412 8.134 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -3.822 2.542 6.798 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -6.090 2.530 8.404 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -7.456 1.900 7.479 1.00 10.00 H new ATOM 787 N ALA A 50 -2.153 -2.682 5.652 1.00 10.00 N ATOM 788 CA ALA A 50 -1.896 -3.696 4.644 1.00 10.00 C ATOM 789 C ALA A 50 -3.074 -4.670 4.476 1.00 10.00 C ATOM 790 O ALA A 50 -3.651 -5.144 5.455 1.00 10.00 O ATOM 791 CB ALA A 50 -0.616 -4.448 5.006 1.00 10.00 C ATOM 0 H ALA A 50 -1.408 -2.596 6.344 1.00 10.00 H new ATOM 0 HA ALA A 50 -1.773 -3.196 3.683 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -0.417 -5.211 4.253 1.00 10.00 H new ATOM 0 HB2 ALA A 50 0.219 -3.748 5.043 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -0.736 -4.922 5.980 1.00 10.00 H new ATOM 797 N GLY A 51 -3.398 -5.018 3.229 1.00 10.00 N ATOM 798 CA GLY A 51 -4.384 -6.041 2.905 1.00 10.00 C ATOM 799 C GLY A 51 -5.389 -5.575 1.862 1.00 10.00 C ATOM 800 O GLY A 51 -5.878 -6.379 1.073 1.00 10.00 O ATOM 0 H GLY A 51 -2.974 -4.588 2.407 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -3.872 -6.931 2.539 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -4.915 -6.329 3.812 1.00 10.00 H new ATOM 804 N GLY A 52 -5.730 -4.287 1.861 1.00 10.00 N ATOM 805 CA GLY A 52 -6.783 -3.760 1.015 1.00 10.00 C ATOM 806 C GLY A 52 -7.305 -2.480 1.645 1.00 10.00 C ATOM 807 O GLY A 52 -6.696 -2.005 2.599 1.00 10.00 O ATOM 0 H GLY A 52 -5.280 -3.585 2.449 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -6.402 -3.562 0.013 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -7.588 -4.488 0.912 1.00 10.00 H new ATOM 811 N ASP A 53 -8.397 -1.944 1.083 1.00 10.00 N ATOM 812 CA ASP A 53 -9.034 -0.667 1.403 1.00 10.00 C ATOM 813 C ASP A 53 -8.240 0.223 2.366 1.00 10.00 C ATOM 814 O ASP A 53 -8.630 0.436 3.513 1.00 10.00 O ATOM 815 CB ASP A 53 -10.473 -0.876 1.890 1.00 10.00 C ATOM 816 CG ASP A 53 -11.196 0.462 2.055 1.00 10.00 C ATOM 817 OD1 ASP A 53 -10.715 1.457 1.460 1.00 10.00 O ATOM 818 OD2 ASP A 53 -12.230 0.459 2.755 1.00 10.00 O ATOM 0 H ASP A 53 -8.893 -2.432 0.337 1.00 10.00 H new ATOM 0 HA ASP A 53 -9.054 -0.113 0.464 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -11.014 -1.501 1.179 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -10.465 -1.409 2.841 1.00 10.00 H new ATOM 823 N ALA A 54 -7.128 0.766 1.866 1.00 10.00 N ATOM 824 CA ALA A 54 -6.386 1.808 2.555 1.00 10.00 C ATOM 825 C ALA A 54 -6.510 3.111 1.777 1.00 10.00 C ATOM 826 O ALA A 54 -5.779 4.057 2.054 1.00 10.00 O ATOM 827 CB ALA A 54 -4.922 1.398 2.703 1.00 10.00 C ATOM 0 H ALA A 54 -6.722 0.491 0.972 1.00 10.00 H new ATOM 0 HA ALA A 54 -6.798 1.954 3.554 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -4.374 2.185 3.221 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -4.859 0.474 3.278 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -4.486 1.241 1.716 1.00 10.00 H new ATOM 833 N THR A 55 -7.417 3.170 0.795 1.00 10.00 N ATOM 834 CA THR A 55 -7.565 4.337 -0.053 1.00 10.00 C ATOM 835 C THR A 55 -7.944 5.532 0.817 1.00 10.00 C ATOM 836 O THR A 55 -7.266 6.557 0.790 1.00 10.00 O ATOM 837 CB THR A 55 -8.593 4.045 -1.156 1.00 10.00 C ATOM 838 OG1 THR A 55 -8.180 2.937 -1.938 1.00 10.00 O ATOM 839 CG2 THR A 55 -8.713 5.247 -2.094 1.00 10.00 C ATOM 0 H THR A 55 -8.061 2.410 0.574 1.00 10.00 H new ATOM 0 HA THR A 55 -6.628 4.580 -0.555 1.00 10.00 H new ATOM 0 HB THR A 55 -9.547 3.835 -0.673 1.00 10.00 H new ATOM 0 HG1 THR A 55 -7.568 2.378 -1.416 1.00 10.00 H new ATOM 0 HG21 THR A 55 -9.444 5.030 -2.872 1.00 10.00 H new ATOM 0 HG22 THR A 55 -9.035 6.120 -1.527 1.00 10.00 H new ATOM 0 HG23 THR A 55 -7.745 5.449 -2.552 1.00 10.00 H new ATOM 847 N ALA A 56 -9.002 5.371 1.617 1.00 10.00 N ATOM 848 CA ALA A 56 -9.480 6.417 2.505 1.00 10.00 C ATOM 849 C ALA A 56 -8.386 6.826 3.488 1.00 10.00 C ATOM 850 O ALA A 56 -8.124 8.006 3.670 1.00 10.00 O ATOM 851 CB ALA A 56 -10.736 5.939 3.237 1.00 10.00 C ATOM 0 H ALA A 56 -9.546 4.510 1.662 1.00 10.00 H new ATOM 0 HA ALA A 56 -9.739 7.297 1.916 1.00 10.00 H new ATOM 0 HB1 ALA A 56 -11.091 6.726 3.902 1.00 10.00 H new ATOM 0 HB2 ALA A 56 -11.512 5.700 2.510 1.00 10.00 H new ATOM 0 HB3 ALA A 56 -10.500 5.050 3.821 1.00 10.00 H new ATOM 857 N ASN A 57 -7.727 5.859 4.127 1.00 10.00 N ATOM 858 CA ASN A 57 -6.687 6.164 5.100 1.00 10.00 C ATOM 859 C ASN A 57 -5.557 6.961 4.437 1.00 10.00 C ATOM 860 O ASN A 57 -5.176 8.031 4.909 1.00 10.00 O ATOM 861 CB ASN A 57 -6.185 4.871 5.751 1.00 10.00 C ATOM 862 CG ASN A 57 -5.461 5.170 7.058 1.00 10.00 C ATOM 863 OD1 ASN A 57 -4.243 5.270 7.099 1.00 10.00 O ATOM 864 ND2 ASN A 57 -6.204 5.298 8.154 1.00 10.00 N ATOM 0 H ASN A 57 -7.896 4.863 3.987 1.00 10.00 H new ATOM 0 HA ASN A 57 -7.098 6.790 5.892 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -7.026 4.203 5.940 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -5.513 4.352 5.068 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -5.759 5.484 9.053 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -7.219 5.211 8.095 1.00 10.00 H new ATOM 871 N PHE A 58 -5.055 6.451 3.309 1.00 10.00 N ATOM 872 CA PHE A 58 -4.045 7.111 2.493 1.00 10.00 C ATOM 873 C PHE A 58 -4.425 8.556 2.158 1.00 10.00 C ATOM 874 O PHE A 58 -3.633 9.467 2.410 1.00 10.00 O ATOM 875 CB PHE A 58 -3.825 6.302 1.211 1.00 10.00 C ATOM 876 CG PHE A 58 -2.833 6.912 0.240 1.00 10.00 C ATOM 877 CD1 PHE A 58 -1.455 6.722 0.438 1.00 10.00 C ATOM 878 CD2 PHE A 58 -3.287 7.601 -0.900 1.00 10.00 C ATOM 879 CE1 PHE A 58 -0.535 7.170 -0.525 1.00 10.00 C ATOM 880 CE2 PHE A 58 -2.365 8.068 -1.853 1.00 10.00 C ATOM 881 CZ PHE A 58 -0.989 7.844 -1.671 1.00 10.00 C ATOM 0 H PHE A 58 -5.349 5.549 2.934 1.00 10.00 H new ATOM 0 HA PHE A 58 -3.120 7.155 3.068 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -3.481 5.304 1.482 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -4.783 6.182 0.704 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -1.102 6.230 1.333 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -4.344 7.771 -1.043 1.00 10.00 H new ATOM 0 HE1 PHE A 58 0.522 6.996 -0.384 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -2.714 8.599 -2.726 1.00 10.00 H new ATOM 0 HZ PHE A 58 -0.282 8.189 -2.411 1.00 10.00 H new ATOM 891 N GLU A 59 -5.601 8.770 1.555 1.00 10.00 N ATOM 892 CA GLU A 59 -5.993 10.095 1.096 1.00 10.00 C ATOM 893 C GLU A 59 -6.294 11.028 2.273 1.00 10.00 C ATOM 894 O GLU A 59 -5.880 12.185 2.258 1.00 10.00 O ATOM 895 CB GLU A 59 -7.085 10.011 0.021 1.00 10.00 C ATOM 896 CG GLU A 59 -8.458 9.538 0.512 1.00 10.00 C ATOM 897 CD GLU A 59 -9.336 10.664 1.044 1.00 10.00 C ATOM 898 OE1 GLU A 59 -9.442 11.683 0.328 1.00 10.00 O ATOM 899 OE2 GLU A 59 -9.899 10.473 2.142 1.00 10.00 O ATOM 0 H GLU A 59 -6.291 8.041 1.377 1.00 10.00 H new ATOM 0 HA GLU A 59 -5.149 10.565 0.590 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -7.200 10.995 -0.433 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -6.746 9.335 -0.764 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -8.976 9.041 -0.308 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -8.318 8.796 1.298 1.00 10.00 H new ATOM 906 N ALA A 60 -6.941 10.503 3.318 1.00 10.00 N ATOM 907 CA ALA A 60 -7.197 11.214 4.562 1.00 10.00 C ATOM 908 C ALA A 60 -5.894 11.746 5.160 1.00 10.00 C ATOM 909 O ALA A 60 -5.825 12.909 5.552 1.00 10.00 O ATOM 910 CB ALA A 60 -7.920 10.296 5.554 1.00 10.00 C ATOM 0 H ALA A 60 -7.307 9.551 3.317 1.00 10.00 H new ATOM 0 HA ALA A 60 -7.840 12.068 4.350 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -8.107 10.838 6.481 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -8.869 9.972 5.125 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -7.300 9.424 5.762 1.00 10.00 H new ATOM 916 N VAL A 61 -4.858 10.902 5.236 1.00 10.00 N ATOM 917 CA VAL A 61 -3.533 11.351 5.650 1.00 10.00 C ATOM 918 C VAL A 61 -2.994 12.376 4.643 1.00 10.00 C ATOM 919 O VAL A 61 -2.507 13.435 5.034 1.00 10.00 O ATOM 920 CB VAL A 61 -2.596 10.143 5.821 1.00 10.00 C ATOM 921 CG1 VAL A 61 -1.147 10.584 6.056 1.00 10.00 C ATOM 922 CG2 VAL A 61 -3.028 9.291 7.023 1.00 10.00 C ATOM 0 H VAL A 61 -4.916 9.908 5.016 1.00 10.00 H new ATOM 0 HA VAL A 61 -3.594 11.848 6.618 1.00 10.00 H new ATOM 0 HB VAL A 61 -2.657 9.564 4.899 1.00 10.00 H new ATOM 0 HG11 VAL A 61 -0.513 9.705 6.172 1.00 10.00 H new ATOM 0 HG12 VAL A 61 -0.802 11.170 5.204 1.00 10.00 H new ATOM 0 HG13 VAL A 61 -1.094 11.192 6.959 1.00 10.00 H new ATOM 0 HG21 VAL A 61 -2.353 8.441 7.128 1.00 10.00 H new ATOM 0 HG22 VAL A 61 -2.993 9.896 7.929 1.00 10.00 H new ATOM 0 HG23 VAL A 61 -4.045 8.930 6.867 1.00 10.00 H new ATOM 932 N GLY A 62 -3.078 12.057 3.349 1.00 10.00 N ATOM 933 CA GLY A 62 -2.586 12.904 2.274 1.00 10.00 C ATOM 934 C GLY A 62 -1.132 12.562 1.953 1.00 10.00 C ATOM 935 O GLY A 62 -0.379 12.152 2.833 1.00 10.00 O ATOM 0 H GLY A 62 -3.498 11.188 3.020 1.00 10.00 H new ATOM 0 HA2 GLY A 62 -3.203 12.771 1.385 1.00 10.00 H new ATOM 0 HA3 GLY A 62 -2.665 13.952 2.562 1.00 10.00 H new ATOM 939 N HIS A 63 -0.747 12.681 0.679 1.00 10.00 N ATOM 940 CA HIS A 63 0.566 12.302 0.174 1.00 10.00 C ATOM 941 C HIS A 63 0.915 13.225 -0.998 1.00 10.00 C ATOM 942 O HIS A 63 0.030 13.600 -1.768 1.00 10.00 O ATOM 943 CB HIS A 63 0.542 10.827 -0.256 1.00 10.00 C ATOM 944 CG HIS A 63 0.706 9.848 0.884 1.00 10.00 C ATOM 945 ND1 HIS A 63 -0.255 9.462 1.795 1.00 10.00 N ATOM 946 CD2 HIS A 63 1.852 9.163 1.188 1.00 10.00 C ATOM 947 CE1 HIS A 63 0.318 8.579 2.634 1.00 10.00 C ATOM 948 NE2 HIS A 63 1.600 8.346 2.293 1.00 10.00 N ATOM 0 H HIS A 63 -1.360 13.054 -0.045 1.00 10.00 H new ATOM 0 HA HIS A 63 1.328 12.410 0.946 1.00 10.00 H new ATOM 0 HB2 HIS A 63 -0.401 10.623 -0.763 1.00 10.00 H new ATOM 0 HB3 HIS A 63 1.337 10.659 -0.982 1.00 10.00 H new ATOM 0 HD1 HIS A 63 -1.222 9.786 1.827 1.00 10.00 H new ATOM 0 HD2 HIS A 63 2.792 9.241 0.662 1.00 10.00 H new ATOM 0 HE1 HIS A 63 -0.185 8.118 3.471 1.00 10.00 H new ATOM 956 N SER A 64 2.189 13.616 -1.107 1.00 10.00 N ATOM 957 CA SER A 64 2.658 14.603 -2.077 1.00 10.00 C ATOM 958 C SER A 64 2.783 14.022 -3.493 1.00 10.00 C ATOM 959 O SER A 64 2.633 12.821 -3.702 1.00 10.00 O ATOM 960 CB SER A 64 3.992 15.187 -1.591 1.00 10.00 C ATOM 961 OG SER A 64 3.805 15.834 -0.348 1.00 10.00 O ATOM 0 H SER A 64 2.932 13.248 -0.513 1.00 10.00 H new ATOM 0 HA SER A 64 1.915 15.398 -2.146 1.00 10.00 H new ATOM 0 HB2 SER A 64 4.732 14.393 -1.491 1.00 10.00 H new ATOM 0 HB3 SER A 64 4.379 15.894 -2.325 1.00 10.00 H new ATOM 0 HG SER A 64 4.659 16.204 -0.040 1.00 10.00 H new ATOM 967 N THR A 65 3.090 14.880 -4.471 1.00 10.00 N ATOM 968 CA THR A 65 3.352 14.527 -5.861 1.00 10.00 C ATOM 969 C THR A 65 4.416 13.437 -5.951 1.00 10.00 C ATOM 970 O THR A 65 4.154 12.365 -6.486 1.00 10.00 O ATOM 971 CB THR A 65 3.813 15.801 -6.580 1.00 10.00 C ATOM 972 OG1 THR A 65 4.694 16.501 -5.716 1.00 10.00 O ATOM 973 CG2 THR A 65 2.620 16.708 -6.895 1.00 10.00 C ATOM 0 H THR A 65 3.165 15.883 -4.303 1.00 10.00 H new ATOM 0 HA THR A 65 2.451 14.132 -6.330 1.00 10.00 H new ATOM 0 HB THR A 65 4.304 15.528 -7.514 1.00 10.00 H new ATOM 0 HG1 THR A 65 5.003 17.320 -6.157 1.00 10.00 H new ATOM 0 HG21 THR A 65 2.970 17.606 -7.405 1.00 10.00 H new ATOM 0 HG22 THR A 65 1.918 16.176 -7.537 1.00 10.00 H new ATOM 0 HG23 THR A 65 2.121 16.989 -5.967 1.00 10.00 H new ATOM 981 N ASP A 66 5.595 13.712 -5.392 1.00 10.00 N ATOM 982 CA ASP A 66 6.679 12.747 -5.243 1.00 10.00 C ATOM 983 C ASP A 66 6.138 11.389 -4.824 1.00 10.00 C ATOM 984 O ASP A 66 6.316 10.400 -5.514 1.00 10.00 O ATOM 985 CB ASP A 66 7.622 13.249 -4.149 1.00 10.00 C ATOM 986 CG ASP A 66 8.731 12.239 -3.888 1.00 10.00 C ATOM 987 OD1 ASP A 66 9.767 12.347 -4.574 1.00 10.00 O ATOM 988 OD2 ASP A 66 8.501 11.372 -3.017 1.00 10.00 O ATOM 0 H ASP A 66 5.826 14.634 -5.022 1.00 10.00 H new ATOM 0 HA ASP A 66 7.196 12.643 -6.197 1.00 10.00 H new ATOM 0 HB2 ASP A 66 8.056 14.204 -4.446 1.00 10.00 H new ATOM 0 HB3 ASP A 66 7.061 13.425 -3.231 1.00 10.00 H new ATOM 993 N ALA A 67 5.424 11.370 -3.706 1.00 10.00 N ATOM 994 CA ALA A 67 4.847 10.160 -3.138 1.00 10.00 C ATOM 995 C ALA A 67 3.860 9.502 -4.110 1.00 10.00 C ATOM 996 O ALA A 67 3.826 8.278 -4.230 1.00 10.00 O ATOM 997 CB ALA A 67 4.193 10.469 -1.793 1.00 10.00 C ATOM 0 H ALA A 67 5.227 12.209 -3.160 1.00 10.00 H new ATOM 0 HA ALA A 67 5.649 9.442 -2.968 1.00 10.00 H new ATOM 0 HB1 ALA A 67 3.765 9.556 -1.378 1.00 10.00 H new ATOM 0 HB2 ALA A 67 4.942 10.863 -1.106 1.00 10.00 H new ATOM 0 HB3 ALA A 67 3.404 11.208 -1.933 1.00 10.00 H new ATOM 1003 N ARG A 68 3.065 10.311 -4.815 1.00 10.00 N ATOM 1004 CA ARG A 68 2.167 9.870 -5.877 1.00 10.00 C ATOM 1005 C ARG A 68 2.968 9.138 -6.961 1.00 10.00 C ATOM 1006 O ARG A 68 2.560 8.091 -7.461 1.00 10.00 O ATOM 1007 CB ARG A 68 1.452 11.088 -6.495 1.00 10.00 C ATOM 1008 CG ARG A 68 -0.055 10.894 -6.691 1.00 10.00 C ATOM 1009 CD ARG A 68 -0.817 11.153 -5.382 1.00 10.00 C ATOM 1010 NE ARG A 68 -2.269 11.272 -5.604 1.00 10.00 N ATOM 1011 CZ ARG A 68 -2.890 12.354 -6.107 1.00 10.00 C ATOM 1012 NH1 ARG A 68 -2.173 13.414 -6.497 1.00 10.00 N ATOM 1013 NH2 ARG A 68 -4.222 12.369 -6.225 1.00 10.00 N ATOM 0 H ARG A 68 3.030 11.318 -4.656 1.00 10.00 H new ATOM 0 HA ARG A 68 1.424 9.192 -5.458 1.00 10.00 H new ATOM 0 HB2 ARG A 68 1.616 11.955 -5.856 1.00 10.00 H new ATOM 0 HB3 ARG A 68 1.907 11.313 -7.460 1.00 10.00 H new ATOM 0 HG2 ARG A 68 -0.415 11.571 -7.466 1.00 10.00 H new ATOM 0 HG3 ARG A 68 -0.253 9.879 -7.037 1.00 10.00 H new ATOM 0 HD2 ARG A 68 -0.622 10.340 -4.682 1.00 10.00 H new ATOM 0 HD3 ARG A 68 -0.444 12.067 -4.920 1.00 10.00 H new ATOM 0 HE ARG A 68 -2.849 10.470 -5.357 1.00 10.00 H new ATOM 0 HH11 ARG A 68 -1.157 13.401 -6.413 1.00 10.00 H new ATOM 0 HH12 ARG A 68 -2.643 14.235 -6.879 1.00 10.00 H new ATOM 0 HH21 ARG A 68 -4.769 11.559 -5.933 1.00 10.00 H new ATOM 0 HH22 ARG A 68 -4.691 13.190 -6.607 1.00 10.00 H new ATOM 1027 N GLU A 69 4.113 9.701 -7.330 1.00 10.00 N ATOM 1028 CA GLU A 69 4.937 9.182 -8.410 1.00 10.00 C ATOM 1029 C GLU A 69 5.652 7.911 -7.943 1.00 10.00 C ATOM 1030 O GLU A 69 5.689 6.889 -8.624 1.00 10.00 O ATOM 1031 CB GLU A 69 5.869 10.310 -8.862 1.00 10.00 C ATOM 1032 CG GLU A 69 5.114 11.337 -9.725 1.00 10.00 C ATOM 1033 CD GLU A 69 4.576 10.737 -11.021 1.00 10.00 C ATOM 1034 OE1 GLU A 69 5.407 10.494 -11.921 1.00 10.00 O ATOM 1035 OE2 GLU A 69 3.346 10.512 -11.080 1.00 10.00 O ATOM 0 H GLU A 69 4.496 10.535 -6.884 1.00 10.00 H new ATOM 0 HA GLU A 69 4.351 8.878 -9.277 1.00 10.00 H new ATOM 0 HB2 GLU A 69 6.295 10.806 -7.990 1.00 10.00 H new ATOM 0 HB3 GLU A 69 6.701 9.894 -9.430 1.00 10.00 H new ATOM 0 HG2 GLU A 69 4.285 11.750 -9.149 1.00 10.00 H new ATOM 0 HG3 GLU A 69 5.781 12.166 -9.963 1.00 10.00 H new ATOM 1042 N LEU A 70 6.160 7.962 -6.720 1.00 10.00 N ATOM 1043 CA LEU A 70 6.814 6.877 -6.032 1.00 10.00 C ATOM 1044 C LEU A 70 5.857 5.681 -5.975 1.00 10.00 C ATOM 1045 O LEU A 70 6.185 4.584 -6.417 1.00 10.00 O ATOM 1046 CB LEU A 70 7.266 7.420 -4.665 1.00 10.00 C ATOM 1047 CG LEU A 70 8.176 6.563 -3.776 1.00 10.00 C ATOM 1048 CD1 LEU A 70 8.700 5.341 -4.503 1.00 10.00 C ATOM 1049 CD2 LEU A 70 9.327 7.397 -3.206 1.00 10.00 C ATOM 0 H LEU A 70 6.121 8.812 -6.157 1.00 10.00 H new ATOM 0 HA LEU A 70 7.704 6.508 -6.541 1.00 10.00 H new ATOM 0 HB2 LEU A 70 7.779 8.365 -4.842 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.368 7.647 -4.091 1.00 10.00 H new ATOM 0 HG LEU A 70 7.567 6.204 -2.946 1.00 10.00 H new ATOM 0 HD11 LEU A 70 9.339 4.766 -3.833 1.00 10.00 H new ATOM 0 HD12 LEU A 70 7.862 4.723 -4.826 1.00 10.00 H new ATOM 0 HD13 LEU A 70 9.276 5.655 -5.374 1.00 10.00 H new ATOM 0 HD21 LEU A 70 9.958 6.766 -2.579 1.00 10.00 H new ATOM 0 HD22 LEU A 70 9.921 7.805 -4.024 1.00 10.00 H new ATOM 0 HD23 LEU A 70 8.923 8.214 -2.608 1.00 10.00 H new ATOM 1061 N SER A 71 4.642 5.892 -5.472 1.00 10.00 N ATOM 1062 CA SER A 71 3.600 4.872 -5.485 1.00 10.00 C ATOM 1063 C SER A 71 3.522 4.174 -6.846 1.00 10.00 C ATOM 1064 O SER A 71 3.623 2.954 -6.893 1.00 10.00 O ATOM 1065 CB SER A 71 2.244 5.404 -5.008 1.00 10.00 C ATOM 1066 OG SER A 71 1.529 6.128 -5.980 1.00 10.00 O ATOM 0 H SER A 71 4.355 6.773 -5.046 1.00 10.00 H new ATOM 0 HA SER A 71 3.884 4.114 -4.755 1.00 10.00 H new ATOM 0 HB2 SER A 71 1.634 4.564 -4.677 1.00 10.00 H new ATOM 0 HB3 SER A 71 2.403 6.044 -4.140 1.00 10.00 H new ATOM 0 HG SER A 71 2.150 6.681 -6.498 1.00 10.00 H new ATOM 1072 N LYS A 72 3.414 4.913 -7.958 1.00 10.00 N ATOM 1073 CA LYS A 72 3.408 4.302 -9.286 1.00 10.00 C ATOM 1074 C LYS A 72 4.625 3.385 -9.502 1.00 10.00 C ATOM 1075 O LYS A 72 4.481 2.300 -10.055 1.00 10.00 O ATOM 1076 CB LYS A 72 3.340 5.373 -10.383 1.00 10.00 C ATOM 1077 CG LYS A 72 1.988 6.101 -10.429 1.00 10.00 C ATOM 1078 CD LYS A 72 1.257 5.708 -11.720 1.00 10.00 C ATOM 1079 CE LYS A 72 -0.103 6.405 -11.834 1.00 10.00 C ATOM 1080 NZ LYS A 72 -0.710 6.185 -13.163 1.00 10.00 N ATOM 0 H LYS A 72 3.330 5.930 -7.961 1.00 10.00 H new ATOM 0 HA LYS A 72 2.514 3.682 -9.349 1.00 10.00 H new ATOM 0 HB2 LYS A 72 4.134 6.102 -10.221 1.00 10.00 H new ATOM 0 HB3 LYS A 72 3.528 4.907 -11.350 1.00 10.00 H new ATOM 0 HG2 LYS A 72 1.387 5.835 -9.559 1.00 10.00 H new ATOM 0 HG3 LYS A 72 2.139 7.180 -10.395 1.00 10.00 H new ATOM 0 HD2 LYS A 72 1.873 5.968 -12.581 1.00 10.00 H new ATOM 0 HD3 LYS A 72 1.116 4.627 -11.744 1.00 10.00 H new ATOM 0 HE2 LYS A 72 -0.772 6.030 -11.060 1.00 10.00 H new ATOM 0 HE3 LYS A 72 0.018 7.474 -11.660 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 -1.629 6.669 -13.209 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 -0.081 6.565 -13.899 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 -0.847 5.166 -13.318 1.00 10.00 H new ATOM 1094 N THR A 73 5.816 3.772 -9.039 1.00 10.00 N ATOM 1095 CA THR A 73 6.998 2.910 -9.083 1.00 10.00 C ATOM 1096 C THR A 73 6.784 1.598 -8.319 1.00 10.00 C ATOM 1097 O THR A 73 7.328 0.566 -8.704 1.00 10.00 O ATOM 1098 CB THR A 73 8.244 3.677 -8.601 1.00 10.00 C ATOM 1099 OG1 THR A 73 8.420 4.826 -9.405 1.00 10.00 O ATOM 1100 CG2 THR A 73 9.522 2.834 -8.630 1.00 10.00 C ATOM 0 H THR A 73 5.987 4.688 -8.625 1.00 10.00 H new ATOM 0 HA THR A 73 7.169 2.625 -10.121 1.00 10.00 H new ATOM 0 HB THR A 73 8.070 3.949 -7.560 1.00 10.00 H new ATOM 0 HG1 THR A 73 9.211 5.319 -9.102 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.362 3.434 -8.279 1.00 10.00 H new ATOM 0 HG22 THR A 73 9.400 1.966 -7.982 1.00 10.00 H new ATOM 0 HG23 THR A 73 9.715 2.501 -9.650 1.00 10.00 H new ATOM 1108 N PHE A 74 5.972 1.630 -7.261 1.00 10.00 N ATOM 1109 CA PHE A 74 5.576 0.451 -6.496 1.00 10.00 C ATOM 1110 C PHE A 74 4.262 -0.156 -6.989 1.00 10.00 C ATOM 1111 O PHE A 74 3.751 -1.078 -6.351 1.00 10.00 O ATOM 1112 CB PHE A 74 5.465 0.796 -5.003 1.00 10.00 C ATOM 1113 CG PHE A 74 6.797 0.962 -4.308 1.00 10.00 C ATOM 1114 CD1 PHE A 74 7.662 -0.144 -4.208 1.00 10.00 C ATOM 1115 CD2 PHE A 74 7.136 2.176 -3.684 1.00 10.00 C ATOM 1116 CE1 PHE A 74 8.905 -0.010 -3.571 1.00 10.00 C ATOM 1117 CE2 PHE A 74 8.348 2.285 -2.982 1.00 10.00 C ATOM 1118 CZ PHE A 74 9.255 1.212 -2.979 1.00 10.00 C ATOM 0 H PHE A 74 5.564 2.495 -6.906 1.00 10.00 H new ATOM 0 HA PHE A 74 6.354 -0.298 -6.644 1.00 10.00 H new ATOM 0 HB2 PHE A 74 4.894 1.718 -4.896 1.00 10.00 H new ATOM 0 HB3 PHE A 74 4.900 0.011 -4.500 1.00 10.00 H new ATOM 0 HD1 PHE A 74 7.368 -1.097 -4.622 1.00 10.00 H new ATOM 0 HD2 PHE A 74 6.467 3.022 -3.744 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.589 -0.845 -3.537 1.00 10.00 H new ATOM 0 HE2 PHE A 74 8.582 3.192 -2.445 1.00 10.00 H new ATOM 0 HZ PHE A 74 10.225 1.329 -2.519 1.00 10.00 H new ATOM 1128 N ILE A 75 3.690 0.330 -8.096 1.00 10.00 N ATOM 1129 CA ILE A 75 2.494 -0.299 -8.635 1.00 10.00 C ATOM 1130 C ILE A 75 2.858 -1.723 -9.056 1.00 10.00 C ATOM 1131 O ILE A 75 3.811 -1.923 -9.807 1.00 10.00 O ATOM 1132 CB ILE A 75 1.876 0.545 -9.765 1.00 10.00 C ATOM 1133 CG1 ILE A 75 0.355 0.567 -9.597 1.00 10.00 C ATOM 1134 CG2 ILE A 75 2.289 0.103 -11.175 1.00 10.00 C ATOM 1135 CD1 ILE A 75 -0.327 1.466 -10.619 1.00 10.00 C ATOM 0 H ILE A 75 4.030 1.136 -8.620 1.00 10.00 H new ATOM 0 HA ILE A 75 1.713 -0.357 -7.877 1.00 10.00 H new ATOM 0 HB ILE A 75 2.274 1.556 -9.672 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -0.033 -0.447 -9.692 1.00 10.00 H new ATOM 0 HG13 ILE A 75 0.108 0.910 -8.592 1.00 10.00 H new ATOM 0 HG21 ILE A 75 1.811 0.748 -11.913 1.00 10.00 H new ATOM 0 HG22 ILE A 75 3.372 0.176 -11.276 1.00 10.00 H new ATOM 0 HG23 ILE A 75 1.978 -0.929 -11.339 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -1.405 1.448 -10.458 1.00 10.00 H new ATOM 0 HD12 ILE A 75 0.039 2.487 -10.508 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -0.104 1.108 -11.624 1.00 10.00 H new ATOM 1147 N ILE A 76 2.115 -2.715 -8.569 1.00 10.00 N ATOM 1148 CA ILE A 76 2.274 -4.088 -9.025 1.00 10.00 C ATOM 1149 C ILE A 76 1.164 -4.426 -10.023 1.00 10.00 C ATOM 1150 O ILE A 76 1.371 -5.214 -10.942 1.00 10.00 O ATOM 1151 CB ILE A 76 2.344 -5.043 -7.825 1.00 10.00 C ATOM 1152 CG1 ILE A 76 1.209 -4.779 -6.825 1.00 10.00 C ATOM 1153 CG2 ILE A 76 3.711 -4.895 -7.137 1.00 10.00 C ATOM 1154 CD1 ILE A 76 1.013 -5.967 -5.891 1.00 10.00 C ATOM 0 H ILE A 76 1.396 -2.589 -7.857 1.00 10.00 H new ATOM 0 HA ILE A 76 3.219 -4.208 -9.555 1.00 10.00 H new ATOM 0 HB ILE A 76 2.224 -6.064 -8.188 1.00 10.00 H new ATOM 0 HG12 ILE A 76 1.435 -3.887 -6.241 1.00 10.00 H new ATOM 0 HG13 ILE A 76 0.283 -4.580 -7.365 1.00 10.00 H new ATOM 0 HG21 ILE A 76 3.764 -5.572 -6.284 1.00 10.00 H new ATOM 0 HG22 ILE A 76 4.503 -5.140 -7.845 1.00 10.00 H new ATOM 0 HG23 ILE A 76 3.836 -3.868 -6.794 1.00 10.00 H new ATOM 0 HD11 ILE A 76 0.203 -5.752 -5.194 1.00 10.00 H new ATOM 0 HD12 ILE A 76 0.763 -6.852 -6.476 1.00 10.00 H new ATOM 0 HD13 ILE A 76 1.933 -6.148 -5.334 1.00 10.00 H new ATOM 1166 N GLY A 77 -0.011 -3.811 -9.867 1.00 10.00 N ATOM 1167 CA GLY A 77 -1.144 -4.028 -10.741 1.00 10.00 C ATOM 1168 C GLY A 77 -2.357 -3.345 -10.142 1.00 10.00 C ATOM 1169 O GLY A 77 -2.231 -2.445 -9.310 1.00 10.00 O ATOM 0 H GLY A 77 -0.194 -3.143 -9.119 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -0.937 -3.629 -11.734 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -1.331 -5.095 -10.859 1.00 10.00 H new ATOM 1173 N GLU A 78 -3.532 -3.791 -10.573 1.00 10.00 N ATOM 1174 CA GLU A 78 -4.807 -3.226 -10.201 1.00 10.00 C ATOM 1175 C GLU A 78 -5.678 -4.265 -9.513 1.00 10.00 C ATOM 1176 O GLU A 78 -5.393 -5.462 -9.496 1.00 10.00 O ATOM 1177 CB GLU A 78 -5.513 -2.653 -11.439 1.00 10.00 C ATOM 1178 CG GLU A 78 -5.474 -1.125 -11.464 1.00 10.00 C ATOM 1179 CD GLU A 78 -6.460 -0.497 -12.441 1.00 10.00 C ATOM 1180 OE1 GLU A 78 -7.483 -1.150 -12.759 1.00 10.00 O ATOM 1181 OE2 GLU A 78 -6.199 0.679 -12.784 1.00 10.00 O ATOM 0 H GLU A 78 -3.617 -4.582 -11.211 1.00 10.00 H new ATOM 0 HA GLU A 78 -4.635 -2.414 -9.494 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -5.039 -3.043 -12.340 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -6.550 -2.990 -11.454 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -5.682 -0.750 -10.462 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -4.466 -0.801 -11.723 1.00 10.00 H new ATOM 1188 N LEU A 79 -6.768 -3.764 -8.953 1.00 10.00 N ATOM 1189 CA LEU A 79 -7.803 -4.571 -8.357 1.00 10.00 C ATOM 1190 C LEU A 79 -8.467 -5.434 -9.433 1.00 10.00 C ATOM 1191 O LEU A 79 -8.806 -4.934 -10.505 1.00 10.00 O ATOM 1192 CB LEU A 79 -8.811 -3.615 -7.731 1.00 10.00 C ATOM 1193 CG LEU A 79 -9.933 -4.376 -7.032 1.00 10.00 C ATOM 1194 CD1 LEU A 79 -9.392 -5.161 -5.832 1.00 10.00 C ATOM 1195 CD2 LEU A 79 -10.977 -3.361 -6.593 1.00 10.00 C ATOM 0 H LEU A 79 -6.955 -2.763 -8.903 1.00 10.00 H new ATOM 0 HA LEU A 79 -7.398 -5.241 -7.599 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -8.306 -2.968 -7.014 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -9.231 -2.970 -8.502 1.00 10.00 H new ATOM 0 HG LEU A 79 -10.379 -5.102 -7.712 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -10.210 -5.696 -5.349 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -8.642 -5.875 -6.172 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -8.939 -4.471 -5.120 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -11.795 -3.875 -6.088 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -10.522 -2.644 -5.909 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -11.363 -2.835 -7.466 1.00 10.00 H new ATOM 1207 N HIS A 80 -8.669 -6.717 -9.151 1.00 10.00 N ATOM 1208 CA HIS A 80 -9.304 -7.653 -10.072 1.00 10.00 C ATOM 1209 C HIS A 80 -10.687 -7.169 -10.523 1.00 10.00 C ATOM 1210 O HIS A 80 -11.469 -6.694 -9.699 1.00 10.00 O ATOM 1211 CB HIS A 80 -9.370 -9.042 -9.429 1.00 10.00 C ATOM 1212 CG HIS A 80 -9.423 -10.172 -10.421 1.00 10.00 C ATOM 1213 ND1 HIS A 80 -10.546 -10.852 -10.824 1.00 10.00 N ATOM 1214 CD2 HIS A 80 -8.350 -10.732 -11.063 1.00 10.00 C ATOM 1215 CE1 HIS A 80 -10.163 -11.782 -11.710 1.00 10.00 C ATOM 1216 NE2 HIS A 80 -8.834 -11.744 -11.897 1.00 10.00 N ATOM 0 H HIS A 80 -8.393 -7.141 -8.265 1.00 10.00 H new ATOM 0 HA HIS A 80 -8.696 -7.714 -10.975 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -8.499 -9.176 -8.787 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -10.250 -9.093 -8.788 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -7.316 -10.443 -10.946 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -10.833 -12.469 -12.206 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -8.287 -12.335 -12.523 1.00 10.00 H new ATOM 1224 N PRO A 81 -11.031 -7.319 -11.815 1.00 10.00 N ATOM 1225 CA PRO A 81 -12.343 -6.953 -12.334 1.00 10.00 C ATOM 1226 C PRO A 81 -13.496 -7.753 -11.707 1.00 10.00 C ATOM 1227 O PRO A 81 -14.649 -7.413 -11.942 1.00 10.00 O ATOM 1228 CB PRO A 81 -12.264 -7.153 -13.851 1.00 10.00 C ATOM 1229 CG PRO A 81 -11.155 -8.187 -14.017 1.00 10.00 C ATOM 1230 CD PRO A 81 -10.193 -7.830 -12.891 1.00 10.00 C ATOM 0 HA PRO A 81 -12.574 -5.920 -12.075 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -13.210 -7.510 -14.258 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -12.026 -6.223 -14.367 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -11.533 -9.205 -13.920 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -10.678 -8.116 -14.995 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -9.626 -8.703 -12.567 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -9.469 -7.082 -13.215 1.00 10.00 H new ATOM 1238 N ASP A 82 -13.197 -8.801 -10.929 1.00 10.00 N ATOM 1239 CA ASP A 82 -14.196 -9.580 -10.202 1.00 10.00 C ATOM 1240 C ASP A 82 -14.620 -8.874 -8.908 1.00 10.00 C ATOM 1241 O ASP A 82 -15.748 -9.041 -8.453 1.00 10.00 O ATOM 1242 CB ASP A 82 -13.627 -10.973 -9.902 1.00 10.00 C ATOM 1243 CG ASP A 82 -14.678 -11.907 -9.320 1.00 10.00 C ATOM 1244 OD1 ASP A 82 -15.587 -12.280 -10.091 1.00 10.00 O ATOM 1245 OD2 ASP A 82 -14.507 -12.278 -8.140 1.00 10.00 O ATOM 0 H ASP A 82 -12.243 -9.132 -10.788 1.00 10.00 H new ATOM 0 HA ASP A 82 -15.087 -9.678 -10.822 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -13.226 -11.405 -10.819 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -12.796 -10.882 -9.202 1.00 10.00 H new ATOM 1250 N ASP A 83 -13.710 -8.096 -8.305 1.00 10.00 N ATOM 1251 CA ASP A 83 -13.982 -7.398 -7.053 1.00 10.00 C ATOM 1252 C ASP A 83 -14.932 -6.222 -7.306 1.00 10.00 C ATOM 1253 O ASP A 83 -16.001 -6.127 -6.705 1.00 10.00 O ATOM 1254 CB ASP A 83 -12.651 -6.920 -6.455 1.00 10.00 C ATOM 1255 CG ASP A 83 -12.831 -6.153 -5.148 1.00 10.00 C ATOM 1256 OD1 ASP A 83 -13.571 -5.149 -5.135 1.00 10.00 O ATOM 1257 OD2 ASP A 83 -12.164 -6.560 -4.177 1.00 10.00 O ATOM 0 H ASP A 83 -12.772 -7.937 -8.673 1.00 10.00 H new ATOM 0 HA ASP A 83 -14.467 -8.069 -6.344 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -12.007 -7.781 -6.280 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -12.141 -6.283 -7.178 1.00 10.00 H new ATOM 1262 N ARG A 84 -14.472 -5.324 -8.179 1.00 10.00 N ATOM 1263 CA ARG A 84 -15.025 -3.992 -8.379 1.00 10.00 C ATOM 1264 C ARG A 84 -16.465 -4.003 -8.904 1.00 10.00 C ATOM 1265 O ARG A 84 -16.800 -4.925 -9.679 1.00 10.00 O ATOM 1266 CB ARG A 84 -14.100 -3.200 -9.316 1.00 10.00 C ATOM 1267 CG ARG A 84 -14.035 -3.835 -10.713 1.00 10.00 C ATOM 1268 CD ARG A 84 -13.134 -3.062 -11.684 1.00 10.00 C ATOM 1269 NE ARG A 84 -11.690 -3.234 -11.417 1.00 10.00 N ATOM 1270 CZ ARG A 84 -10.742 -2.582 -12.124 1.00 10.00 C ATOM 1271 NH1 ARG A 84 -11.102 -1.754 -13.111 1.00 10.00 N ATOM 1272 NH2 ARG A 84 -9.442 -2.741 -11.872 1.00 10.00 N ATOM 0 H ARG A 84 -13.675 -5.516 -8.786 1.00 10.00 H new ATOM 0 HA ARG A 84 -15.076 -3.506 -7.405 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -14.457 -2.173 -9.398 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -13.098 -3.156 -8.888 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -13.670 -4.858 -10.624 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -15.042 -3.891 -11.127 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -13.348 -3.387 -12.702 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -13.381 -2.002 -11.630 1.00 10.00 H new ATOM 0 HE ARG A 84 -11.400 -3.868 -10.672 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -12.089 -1.617 -13.327 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -10.389 -1.260 -13.647 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -9.140 -3.369 -11.127 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -8.750 -2.234 -12.424 1.00 10.00 H new TER 1286 ARG A 84 HETATM 1287 FE HEM A 201 2.913 7.123 3.140 1.00 10.00 FE HETATM 1288 CHA HEM A 201 4.263 9.894 4.745 1.00 10.00 C HETATM 1289 CHB HEM A 201 5.199 7.502 0.532 1.00 10.00 C HETATM 1290 CHC HEM A 201 1.330 4.570 1.390 1.00 10.00 C HETATM 1291 CHD HEM A 201 0.676 6.685 5.789 1.00 10.00 C HETATM 1292 NA HEM A 201 4.473 8.433 2.730 1.00 10.00 N HETATM 1293 C1A HEM A 201 4.819 9.495 3.520 1.00 10.00 C HETATM 1294 C2A HEM A 201 5.884 10.199 2.841 1.00 10.00 C HETATM 1295 C3A HEM A 201 6.178 9.511 1.686 1.00 10.00 C HETATM 1296 C4A HEM A 201 5.262 8.397 1.605 1.00 10.00 C HETATM 1297 CMA HEM A 201 7.231 9.899 0.671 1.00 10.00 C HETATM 1298 CAA HEM A 201 6.461 11.536 3.241 1.00 10.00 C HETATM 1299 CBA HEM A 201 5.576 12.693 2.770 1.00 10.00 C HETATM 1300 CGA HEM A 201 6.143 14.041 3.191 1.00 10.00 C HETATM 1301 O1A HEM A 201 7.376 14.199 3.071 1.00 10.00 O HETATM 1302 O2A HEM A 201 5.330 14.885 3.620 1.00 10.00 O HETATM 1303 NB HEM A 201 3.224 6.194 1.327 1.00 10.00 N HETATM 1304 C1B HEM A 201 4.218 6.516 0.423 1.00 10.00 C HETATM 1305 C2B HEM A 201 4.065 5.651 -0.725 1.00 10.00 C HETATM 1306 C3B HEM A 201 2.950 4.890 -0.479 1.00 10.00 C HETATM 1307 C4B HEM A 201 2.437 5.194 0.826 1.00 10.00 C HETATM 1308 CMB HEM A 201 4.958 5.592 -1.939 1.00 10.00 C HETATM 1309 CAB HEM A 201 2.286 3.944 -1.451 1.00 10.00 C HETATM 1310 CBB HEM A 201 1.266 4.352 -2.219 1.00 10.00 C HETATM 1311 NC HEM A 201 1.326 5.831 3.533 1.00 10.00 N HETATM 1312 C1C HEM A 201 0.852 4.877 2.658 1.00 10.00 C HETATM 1313 C2C HEM A 201 -0.282 4.235 3.279 1.00 10.00 C HETATM 1314 C3C HEM A 201 -0.437 4.840 4.496 1.00 10.00 C HETATM 1315 C4C HEM A 201 0.570 5.850 4.673 1.00 10.00 C HETATM 1316 CMC HEM A 201 -1.153 3.137 2.724 1.00 10.00 C HETATM 1317 CAC HEM A 201 -1.608 4.613 5.414 1.00 10.00 C HETATM 1318 CBC HEM A 201 -1.523 3.634 6.336 1.00 10.00 C HETATM 1319 ND HEM A 201 2.549 8.103 4.960 1.00 10.00 N HETATM 1320 C1D HEM A 201 1.609 7.723 5.882 1.00 10.00 C HETATM 1321 C2D HEM A 201 1.746 8.604 7.016 1.00 10.00 C HETATM 1322 C3D HEM A 201 2.722 9.525 6.712 1.00 10.00 C HETATM 1323 C4D HEM A 201 3.235 9.202 5.398 1.00 10.00 C HETATM 1324 CMD HEM A 201 0.984 8.528 8.319 1.00 10.00 C HETATM 1325 CAD HEM A 201 3.219 10.590 7.662 1.00 10.00 C HETATM 1326 CBD HEM A 201 2.333 11.824 7.727 1.00 10.00 C HETATM 1327 CGD HEM A 201 2.396 12.459 9.109 1.00 10.00 C HETATM 1328 O1D HEM A 201 1.664 11.957 9.989 1.00 10.00 O HETATM 1329 O2D HEM A 201 3.195 13.406 9.268 1.00 10.00 O HETATM 0 HMA1 HEM A 201 7.382 10.978 0.698 1.00 10.00 H new HETATM 0 HMA2 HEM A 201 6.902 9.604 -0.325 1.00 10.00 H new HETATM 0 HMA3 HEM A 201 8.168 9.395 0.908 1.00 10.00 H new HETATM 0 HMB1 HEM A 201 5.397 6.574 -2.116 1.00 10.00 H new HETATM 0 HMB2 HEM A 201 4.371 5.295 -2.808 1.00 10.00 H new HETATM 0 HMB3 HEM A 201 5.752 4.864 -1.772 1.00 10.00 H new HETATM 0 HMC1 HEM A 201 -1.536 2.527 3.543 1.00 10.00 H new HETATM 0 HMC2 HEM A 201 -0.566 2.513 2.050 1.00 10.00 H new HETATM 0 HMC3 HEM A 201 -1.988 3.576 2.177 1.00 10.00 H new HETATM 0 HMD1 HEM A 201 -0.004 8.104 8.139 1.00 10.00 H new HETATM 0 HMD2 HEM A 201 0.879 9.529 8.738 1.00 10.00 H new HETATM 0 HMD3 HEM A 201 1.527 7.896 9.022 1.00 10.00 H new HETATM 0 HBB1 HEM A 201 0.797 3.658 -2.916 1.00 10.00 H new HETATM 0 HBB2 HEM A 201 0.906 5.378 -2.147 1.00 10.00 H new HETATM 0 HBC1 HEM A 201 -2.357 3.449 7.013 1.00 10.00 H new HETATM 0 HBC2 HEM A 201 -0.620 3.027 6.405 1.00 10.00 H new HETATM 0 HBA1 HEM A 201 4.573 12.575 3.181 1.00 10.00 H new HETATM 0 HBA2 HEM A 201 5.481 12.661 1.685 1.00 10.00 H new HETATM 0 HAA1 HEM A 201 7.459 11.644 2.817 1.00 10.00 H new HETATM 0 HAA2 HEM A 201 6.569 11.577 4.325 1.00 10.00 H new HETATM 0 HBD1 HEM A 201 1.304 11.552 7.493 1.00 10.00 H new HETATM 0 HBD2 HEM A 201 2.651 12.546 6.975 1.00 10.00 H new HETATM 0 HAD1 HEM A 201 4.222 10.891 7.361 1.00 10.00 H new HETATM 0 HAD2 HEM A 201 3.301 10.161 8.661 1.00 10.00 H new HETATM 0 HHA HEM A 201 4.651 10.787 5.212 1.00 10.00 H new HETATM 0 HHB HEM A 201 5.943 7.578 -0.247 1.00 10.00 H new HETATM 0 HHC HEM A 201 0.818 3.812 0.816 1.00 10.00 H new HETATM 0 HHD HEM A 201 0.005 6.521 6.619 1.00 10.00 H new HETATM 0 HAB HEM A 201 2.641 2.916 -1.529 1.00 10.00 H new HETATM 0 HAC HEM A 201 -2.505 5.227 5.335 1.00 10.00 H new