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 21 THR OG1 : rot 78:sc= 0.872 USER MOD Set 1.2: A 33 THR OG1 : rot -140:sc= 1.65 USER MOD Set 2.1: A 30 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 71 SER OG : rot -28:sc= 0.632 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 162:sc=0.000235 USER MOD Single : A 8 THR OG1 : rot 176:sc= 0.0849 USER MOD Single : A 13 GLN : amide:sc= -0.835 K(o=-0.83,f=-1.6) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HE2:sc= -0.531 K(o=-0.53,f=-1.7) USER MOD Single : A 16 ASN : amide:sc= -0.575 K(o=-0.58,f=-2.9!) USER MOD Single : A 17 ASN : amide:sc= -0.5 K(o=-0.5,f=-3.6!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -134:sc= 0.239 USER MOD Single : A 26 HIS : no HD1:sc= -0.228 K(o=-0.23,f=-2.3) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -137:sc= 0.979 (180deg=0.369) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.421 K(o=-0.42,f=-2.2) USER MOD Single : A 55 THR OG1 : rot 12:sc= 1.45 USER MOD Single : A 57 ASN : amide:sc= -0.0107 X(o=-0.011,f=0) USER MOD Single : A 64 SER OG : rot -81:sc= 0.0367 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0295 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= -0.544 K(o=-0.54,f=-4.6!) USER MOD Single : A 201 HEM CMA :methyl -30:sc= -0.356 (180deg=-0.36) USER MOD Single : A 201 HEM CMB :methyl -30:sc= -0.311 (180deg=-1.25) USER MOD Single : A 201 HEM CMC :methyl -30:sc= -0.155 (180deg=-0.894) USER MOD Single : A 201 HEM CMD :methyl -30:sc= -0.171 (180deg=-2.74!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 1.570 -9.811 -18.249 1.00 10.00 N ATOM 2 CA ALA A 3 0.420 -8.921 -18.474 1.00 10.00 C ATOM 3 C ALA A 3 0.454 -7.870 -17.372 1.00 10.00 C ATOM 4 O ALA A 3 1.130 -8.127 -16.377 1.00 10.00 O ATOM 5 CB ALA A 3 0.356 -8.372 -19.907 1.00 10.00 C ATOM 0 HA ALA A 3 -0.521 -9.467 -18.404 1.00 10.00 H new ATOM 0 HB1 ALA A 3 -0.514 -7.723 -20.009 1.00 10.00 H new ATOM 0 HB2 ALA A 3 1.261 -7.803 -20.119 1.00 10.00 H new ATOM 0 HB3 ALA A 3 0.275 -9.200 -20.611 1.00 10.00 H new ATOM 13 N VAL A 4 -0.324 -6.791 -17.480 1.00 10.00 N ATOM 14 CA VAL A 4 -1.001 -6.282 -16.295 1.00 10.00 C ATOM 15 C VAL A 4 -1.745 -7.468 -15.678 1.00 10.00 C ATOM 16 O VAL A 4 -2.240 -8.328 -16.409 1.00 10.00 O ATOM 17 CB VAL A 4 -1.960 -5.137 -16.676 1.00 10.00 C ATOM 18 CG1 VAL A 4 -3.061 -5.578 -17.656 1.00 10.00 C ATOM 19 CG2 VAL A 4 -2.605 -4.453 -15.455 1.00 10.00 C ATOM 0 H VAL A 4 -0.495 -6.273 -18.342 1.00 10.00 H new ATOM 0 HA VAL A 4 -0.297 -5.864 -15.576 1.00 10.00 H new ATOM 0 HB VAL A 4 -1.323 -4.408 -17.177 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -3.704 -4.729 -17.887 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -2.604 -5.947 -18.574 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -3.656 -6.371 -17.202 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -3.268 -3.657 -15.792 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -3.178 -5.186 -14.888 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -1.826 -4.031 -14.820 1.00 10.00 H new ATOM 29 N LYS A 5 -1.781 -7.551 -14.353 1.00 10.00 N ATOM 30 CA LYS A 5 -2.513 -8.589 -13.657 1.00 10.00 C ATOM 31 C LYS A 5 -3.143 -7.947 -12.435 1.00 10.00 C ATOM 32 O LYS A 5 -2.446 -7.331 -11.632 1.00 10.00 O ATOM 33 CB LYS A 5 -1.586 -9.758 -13.299 1.00 10.00 C ATOM 34 CG LYS A 5 -2.401 -10.945 -12.769 1.00 10.00 C ATOM 35 CD LYS A 5 -1.507 -12.160 -12.478 1.00 10.00 C ATOM 36 CE LYS A 5 -2.244 -13.455 -12.856 1.00 10.00 C ATOM 37 NZ LYS A 5 -1.564 -14.663 -12.344 1.00 10.00 N ATOM 0 H LYS A 5 -1.301 -6.897 -13.735 1.00 10.00 H new ATOM 0 HA LYS A 5 -3.295 -9.015 -14.286 1.00 10.00 H new ATOM 0 HB2 LYS A 5 -1.018 -10.062 -14.178 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -0.864 -9.440 -12.547 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -2.924 -10.651 -11.859 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -3.162 -11.219 -13.499 1.00 10.00 H new ATOM 0 HD2 LYS A 5 -0.578 -12.082 -13.043 1.00 10.00 H new ATOM 0 HD3 LYS A 5 -1.238 -12.180 -11.422 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -3.260 -13.419 -12.462 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -2.325 -13.520 -13.941 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 -2.100 -15.509 -12.625 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 -0.603 -14.714 -12.739 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 -1.509 -14.617 -11.306 1.00 10.00 H new ATOM 51 N TYR A 6 -4.465 -8.050 -12.333 1.00 10.00 N ATOM 52 CA TYR A 6 -5.186 -7.518 -11.200 1.00 10.00 C ATOM 53 C TYR A 6 -5.142 -8.520 -10.053 1.00 10.00 C ATOM 54 O TYR A 6 -4.882 -9.703 -10.277 1.00 10.00 O ATOM 55 CB TYR A 6 -6.624 -7.197 -11.599 1.00 10.00 C ATOM 56 CG TYR A 6 -6.777 -6.363 -12.853 1.00 10.00 C ATOM 57 CD1 TYR A 6 -6.723 -4.963 -12.773 1.00 10.00 C ATOM 58 CD2 TYR A 6 -7.000 -6.982 -14.096 1.00 10.00 C ATOM 59 CE1 TYR A 6 -6.852 -4.182 -13.934 1.00 10.00 C ATOM 60 CE2 TYR A 6 -7.132 -6.202 -15.258 1.00 10.00 C ATOM 61 CZ TYR A 6 -7.050 -4.801 -15.177 1.00 10.00 C ATOM 62 OH TYR A 6 -7.212 -4.036 -16.292 1.00 10.00 O ATOM 0 H TYR A 6 -5.055 -8.502 -13.031 1.00 10.00 H new ATOM 0 HA TYR A 6 -4.716 -6.592 -10.868 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -7.163 -8.134 -11.738 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -7.104 -6.673 -10.773 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -6.582 -4.484 -11.815 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -7.070 -8.058 -14.158 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -6.799 -3.105 -13.869 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -7.296 -6.679 -16.213 1.00 10.00 H new ATOM 0 HH TYR A 6 -7.337 -4.616 -17.072 1.00 10.00 H new ATOM 72 N TYR A 7 -5.412 -8.046 -8.838 1.00 10.00 N ATOM 73 CA TYR A 7 -5.456 -8.876 -7.646 1.00 10.00 C ATOM 74 C TYR A 7 -6.782 -8.604 -6.936 1.00 10.00 C ATOM 75 O TYR A 7 -7.225 -7.454 -6.867 1.00 10.00 O ATOM 76 CB TYR A 7 -4.237 -8.564 -6.773 1.00 10.00 C ATOM 77 CG TYR A 7 -2.918 -8.543 -7.525 1.00 10.00 C ATOM 78 CD1 TYR A 7 -2.334 -9.743 -7.971 1.00 10.00 C ATOM 79 CD2 TYR A 7 -2.318 -7.314 -7.856 1.00 10.00 C ATOM 80 CE1 TYR A 7 -1.133 -9.713 -8.702 1.00 10.00 C ATOM 81 CE2 TYR A 7 -1.114 -7.285 -8.577 1.00 10.00 C ATOM 82 CZ TYR A 7 -0.517 -8.483 -8.994 1.00 10.00 C ATOM 83 OH TYR A 7 0.673 -8.449 -9.655 1.00 10.00 O ATOM 0 H TYR A 7 -5.608 -7.062 -8.657 1.00 10.00 H new ATOM 0 HA TYR A 7 -5.410 -9.938 -7.885 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -4.385 -7.595 -6.296 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -4.176 -9.306 -5.977 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -2.809 -10.688 -7.752 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -2.786 -6.389 -7.554 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -0.683 -10.635 -9.039 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -0.647 -6.339 -8.811 1.00 10.00 H new ATOM 0 HH TYR A 7 0.817 -7.553 -10.024 1.00 10.00 H new ATOM 93 N THR A 8 -7.458 -9.662 -6.486 1.00 10.00 N ATOM 94 CA THR A 8 -8.710 -9.578 -5.752 1.00 10.00 C ATOM 95 C THR A 8 -8.412 -9.090 -4.337 1.00 10.00 C ATOM 96 O THR A 8 -7.281 -9.202 -3.857 1.00 10.00 O ATOM 97 CB THR A 8 -9.333 -10.982 -5.721 1.00 10.00 C ATOM 98 OG1 THR A 8 -8.297 -11.838 -5.287 1.00 10.00 O ATOM 99 CG2 THR A 8 -9.820 -11.401 -7.112 1.00 10.00 C ATOM 0 H THR A 8 -7.138 -10.620 -6.628 1.00 10.00 H new ATOM 0 HA THR A 8 -9.404 -8.883 -6.224 1.00 10.00 H new ATOM 0 HB THR A 8 -10.202 -11.018 -5.064 1.00 10.00 H new ATOM 0 HG1 THR A 8 -8.645 -12.749 -5.188 1.00 10.00 H new ATOM 0 HG21 THR A 8 -10.256 -12.399 -7.060 1.00 10.00 H new ATOM 0 HG22 THR A 8 -10.572 -10.694 -7.462 1.00 10.00 H new ATOM 0 HG23 THR A 8 -8.979 -11.409 -7.805 1.00 10.00 H new ATOM 107 N LEU A 9 -9.435 -8.572 -3.651 1.00 10.00 N ATOM 108 CA LEU A 9 -9.294 -8.155 -2.266 1.00 10.00 C ATOM 109 C LEU A 9 -8.706 -9.304 -1.444 1.00 10.00 C ATOM 110 O LEU A 9 -7.808 -9.076 -0.644 1.00 10.00 O ATOM 111 CB LEU A 9 -10.645 -7.686 -1.702 1.00 10.00 C ATOM 112 CG LEU A 9 -10.547 -6.345 -0.951 1.00 10.00 C ATOM 113 CD1 LEU A 9 -11.919 -5.958 -0.386 1.00 10.00 C ATOM 114 CD2 LEU A 9 -9.551 -6.362 0.217 1.00 10.00 C ATOM 0 H LEU A 9 -10.368 -8.434 -4.039 1.00 10.00 H new ATOM 0 HA LEU A 9 -8.610 -7.308 -2.209 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -11.360 -7.588 -2.519 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -11.035 -8.447 -1.027 1.00 10.00 H new ATOM 0 HG LEU A 9 -10.192 -5.623 -1.687 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -11.840 -5.008 0.143 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -12.634 -5.860 -1.203 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -12.260 -6.730 0.303 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -9.537 -5.384 0.697 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -9.853 -7.118 0.942 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -8.555 -6.597 -0.158 1.00 10.00 H new ATOM 126 N GLU A 10 -9.186 -10.532 -1.678 1.00 10.00 N ATOM 127 CA GLU A 10 -8.678 -11.739 -1.027 1.00 10.00 C ATOM 128 C GLU A 10 -7.173 -11.898 -1.239 1.00 10.00 C ATOM 129 O GLU A 10 -6.404 -11.896 -0.280 1.00 10.00 O ATOM 130 CB GLU A 10 -9.430 -12.985 -1.508 1.00 10.00 C ATOM 131 CG GLU A 10 -9.178 -14.200 -0.596 1.00 10.00 C ATOM 132 CD GLU A 10 -9.721 -14.030 0.818 1.00 10.00 C ATOM 133 OE1 GLU A 10 -10.958 -13.909 0.941 1.00 10.00 O ATOM 134 OE2 GLU A 10 -8.885 -14.051 1.749 1.00 10.00 O ATOM 0 H GLU A 10 -9.947 -10.714 -2.333 1.00 10.00 H new ATOM 0 HA GLU A 10 -8.853 -11.630 0.043 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -10.499 -12.773 -1.542 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -9.120 -13.225 -2.525 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -9.634 -15.082 -1.047 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -8.105 -14.387 -0.543 1.00 10.00 H new ATOM 141 N GLU A 11 -6.737 -12.046 -2.491 1.00 10.00 N ATOM 142 CA GLU A 11 -5.326 -12.205 -2.795 1.00 10.00 C ATOM 143 C GLU A 11 -4.511 -11.101 -2.119 1.00 10.00 C ATOM 144 O GLU A 11 -3.519 -11.380 -1.453 1.00 10.00 O ATOM 145 CB GLU A 11 -5.096 -12.212 -4.313 1.00 10.00 C ATOM 146 CG GLU A 11 -4.889 -13.624 -4.884 1.00 10.00 C ATOM 147 CD GLU A 11 -6.182 -14.387 -5.165 1.00 10.00 C ATOM 148 OE1 GLU A 11 -7.202 -14.107 -4.494 1.00 10.00 O ATOM 149 OE2 GLU A 11 -6.123 -15.243 -6.072 1.00 10.00 O ATOM 0 H GLU A 11 -7.347 -12.058 -3.308 1.00 10.00 H new ATOM 0 HA GLU A 11 -4.990 -13.165 -2.403 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -5.950 -11.749 -4.806 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -4.224 -11.601 -4.545 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -4.318 -13.548 -5.809 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -4.286 -14.201 -4.183 1.00 10.00 H new ATOM 156 N ILE A 12 -4.935 -9.845 -2.249 1.00 10.00 N ATOM 157 CA ILE A 12 -4.238 -8.743 -1.599 1.00 10.00 C ATOM 158 C ILE A 12 -4.208 -8.959 -0.073 1.00 10.00 C ATOM 159 O ILE A 12 -3.150 -8.861 0.545 1.00 10.00 O ATOM 160 CB ILE A 12 -4.863 -7.404 -2.034 1.00 10.00 C ATOM 161 CG1 ILE A 12 -4.759 -7.244 -3.565 1.00 10.00 C ATOM 162 CG2 ILE A 12 -4.210 -6.203 -1.326 1.00 10.00 C ATOM 163 CD1 ILE A 12 -5.663 -6.125 -4.080 1.00 10.00 C ATOM 0 H ILE A 12 -5.751 -9.569 -2.795 1.00 10.00 H new ATOM 0 HA ILE A 12 -3.195 -8.710 -1.914 1.00 10.00 H new ATOM 0 HB ILE A 12 -5.913 -7.421 -1.741 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -3.726 -7.032 -3.839 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -5.031 -8.183 -4.048 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -4.683 -5.281 -1.664 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -4.338 -6.303 -0.248 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -3.147 -6.174 -1.564 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -5.561 -6.044 -5.162 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -6.700 -6.350 -3.829 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -5.374 -5.182 -3.617 1.00 10.00 H new ATOM 175 N GLN A 13 -5.343 -9.310 0.535 1.00 10.00 N ATOM 176 CA GLN A 13 -5.471 -9.667 1.945 1.00 10.00 C ATOM 177 C GLN A 13 -4.520 -10.793 2.348 1.00 10.00 C ATOM 178 O GLN A 13 -4.038 -10.806 3.474 1.00 10.00 O ATOM 179 CB GLN A 13 -6.925 -10.055 2.258 1.00 10.00 C ATOM 180 CG GLN A 13 -7.751 -8.873 2.775 1.00 10.00 C ATOM 181 CD GLN A 13 -7.673 -8.732 4.296 1.00 10.00 C ATOM 182 OE1 GLN A 13 -6.814 -9.316 4.953 1.00 10.00 O ATOM 183 NE2 GLN A 13 -8.598 -7.971 4.876 1.00 10.00 N ATOM 0 H GLN A 13 -6.232 -9.354 0.037 1.00 10.00 H new ATOM 0 HA GLN A 13 -5.194 -8.791 2.531 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -7.393 -10.454 1.358 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -6.933 -10.852 3.002 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -7.397 -7.954 2.308 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -8.792 -9.002 2.477 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -9.299 -7.498 4.306 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -8.606 -7.861 5.890 1.00 10.00 H new ATOM 192 N LYS A 14 -4.226 -11.745 1.461 1.00 10.00 N ATOM 193 CA LYS A 14 -3.264 -12.795 1.770 1.00 10.00 C ATOM 194 C LYS A 14 -1.839 -12.232 1.946 1.00 10.00 C ATOM 195 O LYS A 14 -1.000 -12.887 2.569 1.00 10.00 O ATOM 196 CB LYS A 14 -3.338 -13.906 0.709 1.00 10.00 C ATOM 197 CG LYS A 14 -4.694 -14.634 0.685 1.00 10.00 C ATOM 198 CD LYS A 14 -4.804 -15.679 1.803 1.00 10.00 C ATOM 199 CE LYS A 14 -6.159 -16.400 1.719 1.00 10.00 C ATOM 200 NZ LYS A 14 -6.192 -17.610 2.563 1.00 10.00 N ATOM 0 H LYS A 14 -4.639 -11.808 0.530 1.00 10.00 H new ATOM 0 HA LYS A 14 -3.527 -13.238 2.731 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -3.148 -13.474 -0.274 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -2.547 -14.632 0.897 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -5.498 -13.906 0.789 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -4.827 -15.121 -0.281 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -3.993 -16.402 1.717 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -4.700 -15.196 2.775 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -6.952 -15.720 2.029 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -6.361 -16.674 0.683 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -7.122 -18.067 2.478 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -5.452 -18.271 2.251 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -6.025 -17.346 3.555 1.00 10.00 H new ATOM 214 N HIS A 15 -1.552 -11.034 1.417 1.00 10.00 N ATOM 215 CA HIS A 15 -0.247 -10.387 1.478 1.00 10.00 C ATOM 216 C HIS A 15 -0.240 -9.309 2.576 1.00 10.00 C ATOM 217 O HIS A 15 -0.409 -8.118 2.299 1.00 10.00 O ATOM 218 CB HIS A 15 0.105 -9.813 0.095 1.00 10.00 C ATOM 219 CG HIS A 15 0.441 -10.840 -0.959 1.00 10.00 C ATOM 220 ND1 HIS A 15 1.555 -10.824 -1.766 1.00 10.00 N ATOM 221 CD2 HIS A 15 -0.334 -11.896 -1.359 1.00 10.00 C ATOM 222 CE1 HIS A 15 1.455 -11.856 -2.622 1.00 10.00 C ATOM 223 NE2 HIS A 15 0.326 -12.546 -2.405 1.00 10.00 N ATOM 0 H HIS A 15 -2.248 -10.477 0.921 1.00 10.00 H new ATOM 0 HA HIS A 15 0.519 -11.116 1.741 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -0.736 -9.215 -0.258 1.00 10.00 H new ATOM 0 HB3 HIS A 15 0.953 -9.137 0.205 1.00 10.00 H new ATOM 0 HD1 HIS A 15 2.320 -10.150 -1.723 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -1.289 -12.177 -0.939 1.00 10.00 H new ATOM 0 HE1 HIS A 15 2.185 -12.096 -3.381 1.00 10.00 H new ATOM 231 N ASN A 16 0.000 -9.734 3.827 1.00 10.00 N ATOM 232 CA ASN A 16 0.040 -8.861 5.008 1.00 10.00 C ATOM 233 C ASN A 16 0.610 -9.568 6.241 1.00 10.00 C ATOM 234 O ASN A 16 0.030 -9.512 7.321 1.00 10.00 O ATOM 235 CB ASN A 16 -1.360 -8.323 5.328 1.00 10.00 C ATOM 236 CG ASN A 16 -2.393 -9.429 5.559 1.00 10.00 C ATOM 237 OD1 ASN A 16 -2.065 -10.616 5.574 1.00 10.00 O ATOM 238 ND2 ASN A 16 -3.657 -9.046 5.717 1.00 10.00 N ATOM 0 H ASN A 16 0.175 -10.714 4.049 1.00 10.00 H new ATOM 0 HA ASN A 16 0.706 -8.034 4.762 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -1.306 -7.694 6.216 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -1.694 -7.688 4.508 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -4.388 -9.744 5.856 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -3.895 -8.054 5.699 1.00 10.00 H new ATOM 245 N ASN A 17 1.772 -10.209 6.105 1.00 10.00 N ATOM 246 CA ASN A 17 2.423 -10.937 7.198 1.00 10.00 C ATOM 247 C ASN A 17 3.636 -11.665 6.644 1.00 10.00 C ATOM 248 O ASN A 17 3.546 -12.832 6.267 1.00 10.00 O ATOM 249 CB ASN A 17 1.475 -11.936 7.908 1.00 10.00 C ATOM 250 CG ASN A 17 0.984 -11.477 9.283 1.00 10.00 C ATOM 251 OD1 ASN A 17 1.433 -10.469 9.828 1.00 10.00 O ATOM 252 ND2 ASN A 17 0.099 -12.268 9.886 1.00 10.00 N ATOM 0 H ASN A 17 2.292 -10.238 5.228 1.00 10.00 H new ATOM 0 HA ASN A 17 2.721 -10.210 7.954 1.00 10.00 H new ATOM 0 HB2 ASN A 17 0.611 -12.114 7.268 1.00 10.00 H new ATOM 0 HB3 ASN A 17 1.991 -12.890 8.020 1.00 10.00 H new ATOM 0 HD21 ASN A 17 -0.226 -12.045 10.827 1.00 10.00 H new ATOM 0 HD22 ASN A 17 -0.254 -13.096 9.407 1.00 10.00 H new ATOM 259 N SER A 18 4.774 -10.972 6.574 1.00 10.00 N ATOM 260 CA SER A 18 6.041 -11.513 6.095 1.00 10.00 C ATOM 261 C SER A 18 6.034 -11.646 4.567 1.00 10.00 C ATOM 262 O SER A 18 6.902 -11.076 3.916 1.00 10.00 O ATOM 263 CB SER A 18 6.398 -12.828 6.812 1.00 10.00 C ATOM 264 OG SER A 18 7.799 -12.990 6.889 1.00 10.00 O ATOM 0 H SER A 18 4.838 -9.994 6.857 1.00 10.00 H new ATOM 0 HA SER A 18 6.834 -10.808 6.345 1.00 10.00 H new ATOM 0 HB2 SER A 18 5.971 -12.829 7.815 1.00 10.00 H new ATOM 0 HB3 SER A 18 5.958 -13.670 6.278 1.00 10.00 H new ATOM 0 HG SER A 18 8.006 -13.830 7.349 1.00 10.00 H new ATOM 270 N LYS A 19 5.036 -12.354 4.012 1.00 10.00 N ATOM 271 CA LYS A 19 4.841 -12.579 2.585 1.00 10.00 C ATOM 272 C LYS A 19 5.165 -11.326 1.773 1.00 10.00 C ATOM 273 O LYS A 19 6.069 -11.346 0.946 1.00 10.00 O ATOM 274 CB LYS A 19 3.397 -13.037 2.314 1.00 10.00 C ATOM 275 CG LYS A 19 3.103 -14.465 2.802 1.00 10.00 C ATOM 276 CD LYS A 19 2.267 -14.555 4.093 1.00 10.00 C ATOM 277 CE LYS A 19 1.091 -15.527 3.891 1.00 10.00 C ATOM 278 NZ LYS A 19 0.512 -15.994 5.167 1.00 10.00 N ATOM 0 H LYS A 19 4.315 -12.802 4.578 1.00 10.00 H new ATOM 0 HA LYS A 19 5.528 -13.364 2.270 1.00 10.00 H new ATOM 0 HB2 LYS A 19 2.708 -12.347 2.801 1.00 10.00 H new ATOM 0 HB3 LYS A 19 3.202 -12.980 1.243 1.00 10.00 H new ATOM 0 HG2 LYS A 19 2.580 -15.002 2.011 1.00 10.00 H new ATOM 0 HG3 LYS A 19 4.050 -14.979 2.964 1.00 10.00 H new ATOM 0 HD2 LYS A 19 2.893 -14.895 4.918 1.00 10.00 H new ATOM 0 HD3 LYS A 19 1.892 -13.568 4.363 1.00 10.00 H new ATOM 0 HE2 LYS A 19 0.316 -15.036 3.303 1.00 10.00 H new ATOM 0 HE3 LYS A 19 1.431 -16.387 3.315 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 -0.275 -16.645 4.973 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 1.242 -16.488 5.719 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 0.161 -15.178 5.708 1.00 10.00 H new ATOM 292 N SER A 20 4.416 -10.252 2.031 1.00 10.00 N ATOM 293 CA SER A 20 4.655 -8.907 1.544 1.00 10.00 C ATOM 294 C SER A 20 3.514 -8.036 2.066 1.00 10.00 C ATOM 295 O SER A 20 2.405 -8.527 2.225 1.00 10.00 O ATOM 296 CB SER A 20 4.722 -8.859 0.012 1.00 10.00 C ATOM 297 OG SER A 20 6.055 -8.728 -0.437 1.00 10.00 O ATOM 0 H SER A 20 3.583 -10.309 2.618 1.00 10.00 H new ATOM 0 HA SER A 20 5.619 -8.545 1.901 1.00 10.00 H new ATOM 0 HB2 SER A 20 4.283 -9.767 -0.402 1.00 10.00 H new ATOM 0 HB3 SER A 20 4.128 -8.022 -0.355 1.00 10.00 H new ATOM 0 HG SER A 20 6.100 -8.038 -1.131 1.00 10.00 H new ATOM 303 N THR A 21 3.795 -6.772 2.364 1.00 10.00 N ATOM 304 CA THR A 21 2.842 -5.738 2.733 1.00 10.00 C ATOM 305 C THR A 21 2.212 -5.186 1.452 1.00 10.00 C ATOM 306 O THR A 21 2.788 -4.288 0.832 1.00 10.00 O ATOM 307 CB THR A 21 3.633 -4.647 3.473 1.00 10.00 C ATOM 308 OG1 THR A 21 4.289 -5.195 4.603 1.00 10.00 O ATOM 309 CG2 THR A 21 2.822 -3.426 3.900 1.00 10.00 C ATOM 0 H THR A 21 4.754 -6.424 2.353 1.00 10.00 H new ATOM 0 HA THR A 21 2.045 -6.115 3.374 1.00 10.00 H new ATOM 0 HB THR A 21 4.351 -4.281 2.739 1.00 10.00 H new ATOM 0 HG1 THR A 21 5.091 -5.678 4.313 1.00 10.00 H new ATOM 0 HG21 THR A 21 3.473 -2.718 4.413 1.00 10.00 H new ATOM 0 HG22 THR A 21 2.390 -2.950 3.020 1.00 10.00 H new ATOM 0 HG23 THR A 21 2.023 -3.737 4.573 1.00 10.00 H new ATOM 317 N TRP A 22 1.058 -5.727 1.044 1.00 10.00 N ATOM 318 CA TRP A 22 0.272 -5.174 -0.057 1.00 10.00 C ATOM 319 C TRP A 22 -0.859 -4.334 0.514 1.00 10.00 C ATOM 320 O TRP A 22 -0.990 -4.246 1.729 1.00 10.00 O ATOM 321 CB TRP A 22 -0.276 -6.308 -0.924 1.00 10.00 C ATOM 322 CG TRP A 22 0.733 -7.020 -1.765 1.00 10.00 C ATOM 323 CD1 TRP A 22 2.070 -6.940 -1.620 1.00 10.00 C ATOM 324 CD2 TRP A 22 0.521 -7.857 -2.940 1.00 10.00 C ATOM 325 NE1 TRP A 22 2.694 -7.666 -2.600 1.00 10.00 N ATOM 326 CE2 TRP A 22 1.791 -8.243 -3.461 1.00 10.00 C ATOM 327 CE3 TRP A 22 -0.617 -8.307 -3.636 1.00 10.00 C ATOM 328 CZ2 TRP A 22 1.927 -9.031 -4.611 1.00 10.00 C ATOM 329 CZ3 TRP A 22 -0.499 -9.132 -4.767 1.00 10.00 C ATOM 330 CH2 TRP A 22 0.770 -9.480 -5.268 1.00 10.00 C ATOM 0 H TRP A 22 0.647 -6.558 1.469 1.00 10.00 H new ATOM 0 HA TRP A 22 0.901 -4.542 -0.683 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -0.761 -7.037 -0.274 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -1.047 -5.901 -1.579 1.00 10.00 H new ATOM 0 HD1 TRP A 22 2.576 -6.385 -0.844 1.00 10.00 H new ATOM 0 HE1 TRP A 22 3.706 -7.766 -2.681 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -1.598 -8.013 -3.294 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 2.906 -9.289 -4.986 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -1.388 -9.502 -5.256 1.00 10.00 H new ATOM 0 HH2 TRP A 22 0.853 -10.090 -6.155 1.00 10.00 H new ATOM 341 N LEU A 23 -1.669 -3.706 -0.342 1.00 10.00 N ATOM 342 CA LEU A 23 -2.793 -2.860 0.042 1.00 10.00 C ATOM 343 C LEU A 23 -3.419 -2.268 -1.212 1.00 10.00 C ATOM 344 O LEU A 23 -2.822 -2.383 -2.280 1.00 10.00 O ATOM 345 CB LEU A 23 -2.380 -1.756 1.022 1.00 10.00 C ATOM 346 CG LEU A 23 -1.031 -1.091 0.708 1.00 10.00 C ATOM 347 CD1 LEU A 23 -1.156 -0.052 -0.401 1.00 10.00 C ATOM 348 CD2 LEU A 23 -0.516 -0.447 1.991 1.00 10.00 C ATOM 0 H LEU A 23 -1.554 -3.777 -1.353 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.525 -3.476 0.564 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -3.154 -0.989 1.031 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.337 -2.178 2.026 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.331 -1.846 0.350 1.00 10.00 H new ATOM 0 HD11 LEU A 23 -0.180 0.395 -0.593 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -1.520 -0.532 -1.309 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -1.857 0.725 -0.095 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.443 0.034 1.797 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -1.232 0.298 2.337 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.390 -1.212 2.757 1.00 10.00 H new ATOM 360 N ILE A 24 -4.594 -1.643 -1.078 1.00 10.00 N ATOM 361 CA ILE A 24 -5.320 -1.004 -2.174 1.00 10.00 C ATOM 362 C ILE A 24 -5.429 0.500 -1.914 1.00 10.00 C ATOM 363 O ILE A 24 -6.054 0.935 -0.940 1.00 10.00 O ATOM 364 CB ILE A 24 -6.708 -1.634 -2.349 1.00 10.00 C ATOM 365 CG1 ILE A 24 -6.615 -3.108 -2.752 1.00 10.00 C ATOM 366 CG2 ILE A 24 -7.564 -0.856 -3.364 1.00 10.00 C ATOM 367 CD1 ILE A 24 -7.868 -3.829 -2.235 1.00 10.00 C ATOM 0 H ILE A 24 -5.075 -1.567 -0.182 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.768 -1.160 -3.101 1.00 10.00 H new ATOM 0 HB ILE A 24 -7.199 -1.578 -1.378 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.543 -3.202 -3.836 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -5.716 -3.560 -2.333 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -8.539 -1.334 -3.460 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -7.695 0.170 -3.019 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -7.065 -0.852 -4.333 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -7.822 -4.882 -2.512 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -7.917 -3.741 -1.150 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -8.756 -3.376 -2.676 1.00 10.00 H new ATOM 379 N LEU A 25 -4.816 1.281 -2.806 1.00 10.00 N ATOM 380 CA LEU A 25 -4.786 2.737 -2.795 1.00 10.00 C ATOM 381 C LEU A 25 -5.404 3.192 -4.113 1.00 10.00 C ATOM 382 O LEU A 25 -4.729 3.241 -5.132 1.00 10.00 O ATOM 383 CB LEU A 25 -3.325 3.201 -2.663 1.00 10.00 C ATOM 384 CG LEU A 25 -2.826 3.676 -1.306 1.00 10.00 C ATOM 385 CD1 LEU A 25 -3.444 2.820 -0.230 1.00 10.00 C ATOM 386 CD2 LEU A 25 -1.290 3.659 -1.277 1.00 10.00 C ATOM 0 H LEU A 25 -4.301 0.890 -3.595 1.00 10.00 H new ATOM 0 HA LEU A 25 -5.343 3.162 -1.960 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -2.687 2.376 -2.979 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -3.171 4.013 -3.374 1.00 10.00 H new ATOM 0 HG LEU A 25 -3.129 4.707 -1.122 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -3.092 3.153 0.747 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -4.530 2.908 -0.274 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -3.158 1.780 -0.383 1.00 10.00 H new ATOM 0 HD21 LEU A 25 -0.941 4.000 -0.303 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -0.934 2.644 -1.455 1.00 10.00 H new ATOM 0 HD23 LEU A 25 -0.904 4.320 -2.053 1.00 10.00 H new ATOM 398 N HIS A 26 -6.699 3.500 -4.110 1.00 10.00 N ATOM 399 CA HIS A 26 -7.424 3.985 -5.280 1.00 10.00 C ATOM 400 C HIS A 26 -7.447 2.912 -6.368 1.00 10.00 C ATOM 401 O HIS A 26 -7.096 3.164 -7.520 1.00 10.00 O ATOM 402 CB HIS A 26 -6.858 5.314 -5.809 1.00 10.00 C ATOM 403 CG HIS A 26 -6.610 6.358 -4.754 1.00 10.00 C ATOM 404 ND1 HIS A 26 -7.509 7.294 -4.293 1.00 10.00 N ATOM 405 CD2 HIS A 26 -5.436 6.542 -4.078 1.00 10.00 C ATOM 406 CE1 HIS A 26 -6.881 8.024 -3.354 1.00 10.00 C ATOM 407 NE2 HIS A 26 -5.615 7.608 -3.193 1.00 10.00 N ATOM 0 H HIS A 26 -7.284 3.418 -3.278 1.00 10.00 H new ATOM 0 HA HIS A 26 -8.450 4.191 -4.973 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -5.921 5.113 -6.328 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -7.551 5.720 -6.546 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -4.531 5.966 -4.205 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -7.334 8.835 -2.804 1.00 10.00 H new ATOM 0 HE2 HIS A 26 -4.922 7.994 -2.552 1.00 10.00 H new ATOM 415 N TYR A 27 -7.852 1.700 -5.978 1.00 10.00 N ATOM 416 CA TYR A 27 -7.984 0.556 -6.871 1.00 10.00 C ATOM 417 C TYR A 27 -6.653 0.179 -7.518 1.00 10.00 C ATOM 418 O TYR A 27 -6.637 -0.469 -8.561 1.00 10.00 O ATOM 419 CB TYR A 27 -9.072 0.826 -7.923 1.00 10.00 C ATOM 420 CG TYR A 27 -10.385 1.354 -7.378 1.00 10.00 C ATOM 421 CD1 TYR A 27 -10.883 0.913 -6.136 1.00 10.00 C ATOM 422 CD2 TYR A 27 -11.140 2.259 -8.147 1.00 10.00 C ATOM 423 CE1 TYR A 27 -12.135 1.352 -5.682 1.00 10.00 C ATOM 424 CE2 TYR A 27 -12.403 2.681 -7.700 1.00 10.00 C ATOM 425 CZ TYR A 27 -12.896 2.236 -6.461 1.00 10.00 C ATOM 426 OH TYR A 27 -14.112 2.653 -6.013 1.00 10.00 O ATOM 0 H TYR A 27 -8.101 1.487 -5.012 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.290 -0.304 -6.275 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -8.684 1.542 -8.647 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -9.268 -0.100 -8.464 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -10.299 0.235 -5.532 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -10.748 2.630 -9.082 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -12.514 1.009 -4.731 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -12.996 3.348 -8.309 1.00 10.00 H new ATOM 0 HH TYR A 27 -14.511 3.263 -6.668 1.00 10.00 H new ATOM 436 N LYS A 28 -5.538 0.567 -6.896 1.00 10.00 N ATOM 437 CA LYS A 28 -4.193 0.297 -7.360 1.00 10.00 C ATOM 438 C LYS A 28 -3.468 -0.400 -6.216 1.00 10.00 C ATOM 439 O LYS A 28 -3.507 0.075 -5.080 1.00 10.00 O ATOM 440 CB LYS A 28 -3.539 1.602 -7.828 1.00 10.00 C ATOM 441 CG LYS A 28 -4.175 2.034 -9.157 1.00 10.00 C ATOM 442 CD LYS A 28 -3.996 3.529 -9.445 1.00 10.00 C ATOM 443 CE LYS A 28 -4.874 3.967 -10.628 1.00 10.00 C ATOM 444 NZ LYS A 28 -4.701 3.110 -11.815 1.00 10.00 N ATOM 0 H LYS A 28 -5.557 1.097 -6.024 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.163 -0.361 -8.229 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -3.673 2.380 -7.077 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.465 1.461 -7.953 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -3.734 1.457 -9.970 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -5.239 1.797 -9.139 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -4.257 4.108 -8.559 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -2.949 3.738 -9.666 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -5.920 3.951 -10.323 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -4.634 4.997 -10.891 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -4.649 3.704 -12.667 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -3.823 2.561 -11.722 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -5.509 2.460 -11.895 1.00 10.00 H new ATOM 458 N VAL A 29 -2.900 -1.573 -6.509 1.00 10.00 N ATOM 459 CA VAL A 29 -2.154 -2.374 -5.558 1.00 10.00 C ATOM 460 C VAL A 29 -0.680 -1.992 -5.610 1.00 10.00 C ATOM 461 O VAL A 29 -0.111 -1.837 -6.695 1.00 10.00 O ATOM 462 CB VAL A 29 -2.338 -3.873 -5.826 1.00 10.00 C ATOM 463 CG1 VAL A 29 -1.920 -4.700 -4.603 1.00 10.00 C ATOM 464 CG2 VAL A 29 -3.786 -4.191 -6.179 1.00 10.00 C ATOM 0 H VAL A 29 -2.952 -1.994 -7.437 1.00 10.00 H new ATOM 0 HA VAL A 29 -2.539 -2.173 -4.558 1.00 10.00 H new ATOM 0 HB VAL A 29 -1.701 -4.135 -6.671 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -2.059 -5.760 -4.816 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -0.871 -4.510 -4.376 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -2.533 -4.418 -3.747 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -3.889 -5.260 -6.364 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -4.434 -3.902 -5.352 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -4.072 -3.639 -7.074 1.00 10.00 H new ATOM 474 N TYR A 30 -0.075 -1.856 -4.429 1.00 10.00 N ATOM 475 CA TYR A 30 1.301 -1.434 -4.259 1.00 10.00 C ATOM 476 C TYR A 30 2.023 -2.456 -3.385 1.00 10.00 C ATOM 477 O TYR A 30 1.681 -2.599 -2.212 1.00 10.00 O ATOM 478 CB TYR A 30 1.307 -0.037 -3.634 1.00 10.00 C ATOM 479 CG TYR A 30 0.635 1.007 -4.502 1.00 10.00 C ATOM 480 CD1 TYR A 30 1.344 1.594 -5.559 1.00 10.00 C ATOM 481 CD2 TYR A 30 -0.733 1.285 -4.355 1.00 10.00 C ATOM 482 CE1 TYR A 30 0.725 2.552 -6.383 1.00 10.00 C ATOM 483 CE2 TYR A 30 -1.350 2.233 -5.191 1.00 10.00 C ATOM 484 CZ TYR A 30 -0.612 2.903 -6.170 1.00 10.00 C ATOM 485 OH TYR A 30 -1.203 3.859 -6.943 1.00 10.00 O ATOM 0 H TYR A 30 -0.548 -2.043 -3.545 1.00 10.00 H new ATOM 0 HA TYR A 30 1.824 -1.381 -5.214 1.00 10.00 H new ATOM 0 HB2 TYR A 30 0.804 -0.076 -2.668 1.00 10.00 H new ATOM 0 HB3 TYR A 30 2.337 0.265 -3.445 1.00 10.00 H new ATOM 0 HD1 TYR A 30 2.370 1.310 -5.742 1.00 10.00 H new ATOM 0 HD2 TYR A 30 -1.311 0.772 -3.601 1.00 10.00 H new ATOM 0 HE1 TYR A 30 1.284 3.017 -7.182 1.00 10.00 H new ATOM 0 HE2 TYR A 30 -2.403 2.445 -5.075 1.00 10.00 H new ATOM 0 HH TYR A 30 -2.134 3.978 -6.661 1.00 10.00 H new ATOM 495 N ASP A 31 2.999 -3.172 -3.952 1.00 10.00 N ATOM 496 CA ASP A 31 3.830 -4.109 -3.205 1.00 10.00 C ATOM 497 C ASP A 31 4.981 -3.318 -2.608 1.00 10.00 C ATOM 498 O ASP A 31 5.913 -2.967 -3.328 1.00 10.00 O ATOM 499 CB ASP A 31 4.364 -5.210 -4.130 1.00 10.00 C ATOM 500 CG ASP A 31 5.362 -6.149 -3.450 1.00 10.00 C ATOM 501 OD1 ASP A 31 5.075 -6.591 -2.313 1.00 10.00 O ATOM 502 OD2 ASP A 31 6.357 -6.499 -4.114 1.00 10.00 O ATOM 0 H ASP A 31 3.232 -3.115 -4.943 1.00 10.00 H new ATOM 0 HA ASP A 31 3.248 -4.593 -2.421 1.00 10.00 H new ATOM 0 HB2 ASP A 31 3.525 -5.795 -4.506 1.00 10.00 H new ATOM 0 HB3 ASP A 31 4.843 -4.748 -4.993 1.00 10.00 H new ATOM 507 N LEU A 32 4.890 -2.975 -1.321 1.00 10.00 N ATOM 508 CA LEU A 32 5.940 -2.244 -0.651 1.00 10.00 C ATOM 509 C LEU A 32 6.749 -3.228 0.188 1.00 10.00 C ATOM 510 O LEU A 32 7.660 -3.865 -0.329 1.00 10.00 O ATOM 511 CB LEU A 32 5.353 -1.057 0.120 1.00 10.00 C ATOM 512 CG LEU A 32 4.623 -0.086 -0.827 1.00 10.00 C ATOM 513 CD1 LEU A 32 3.146 0.013 -0.437 1.00 10.00 C ATOM 514 CD2 LEU A 32 5.300 1.282 -0.775 1.00 10.00 C ATOM 0 H LEU A 32 4.090 -3.199 -0.729 1.00 10.00 H new ATOM 0 HA LEU A 32 6.636 -1.792 -1.358 1.00 10.00 H new ATOM 0 HB2 LEU A 32 4.660 -1.420 0.879 1.00 10.00 H new ATOM 0 HB3 LEU A 32 6.150 -0.529 0.643 1.00 10.00 H new ATOM 0 HG LEU A 32 4.677 -0.459 -1.850 1.00 10.00 H new ATOM 0 HD11 LEU A 32 2.637 0.702 -1.111 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.684 -0.972 -0.507 1.00 10.00 H new ATOM 0 HD13 LEU A 32 3.064 0.380 0.586 1.00 10.00 H new ATOM 0 HD21 LEU A 32 4.784 1.969 -1.445 1.00 10.00 H new ATOM 0 HD22 LEU A 32 5.260 1.669 0.243 1.00 10.00 H new ATOM 0 HD23 LEU A 32 6.340 1.185 -1.086 1.00 10.00 H new ATOM 526 N THR A 33 6.432 -3.357 1.479 1.00 10.00 N ATOM 527 CA THR A 33 7.104 -4.210 2.457 1.00 10.00 C ATOM 528 C THR A 33 8.528 -3.736 2.759 1.00 10.00 C ATOM 529 O THR A 33 8.853 -3.380 3.888 1.00 10.00 O ATOM 530 CB THR A 33 6.967 -5.709 2.102 1.00 10.00 C ATOM 531 OG1 THR A 33 6.382 -6.377 3.208 1.00 10.00 O ATOM 532 CG2 THR A 33 8.260 -6.440 1.735 1.00 10.00 C ATOM 0 H THR A 33 5.656 -2.839 1.891 1.00 10.00 H new ATOM 0 HA THR A 33 6.585 -4.107 3.410 1.00 10.00 H new ATOM 0 HB THR A 33 6.356 -5.733 1.200 1.00 10.00 H new ATOM 0 HG1 THR A 33 6.817 -7.246 3.332 1.00 10.00 H new ATOM 0 HG21 THR A 33 8.037 -7.482 1.507 1.00 10.00 H new ATOM 0 HG22 THR A 33 8.711 -5.966 0.863 1.00 10.00 H new ATOM 0 HG23 THR A 33 8.955 -6.393 2.573 1.00 10.00 H new ATOM 540 N LYS A 34 9.376 -3.657 1.741 1.00 10.00 N ATOM 541 CA LYS A 34 10.741 -3.215 1.892 1.00 10.00 C ATOM 542 C LYS A 34 10.795 -1.692 2.023 1.00 10.00 C ATOM 543 O LYS A 34 11.860 -1.137 2.263 1.00 10.00 O ATOM 544 CB LYS A 34 11.562 -3.735 0.706 1.00 10.00 C ATOM 545 CG LYS A 34 12.954 -4.099 1.219 1.00 10.00 C ATOM 546 CD LYS A 34 13.880 -4.539 0.085 1.00 10.00 C ATOM 547 CE LYS A 34 15.324 -4.295 0.543 1.00 10.00 C ATOM 548 NZ LYS A 34 16.306 -5.068 -0.239 1.00 10.00 N ATOM 0 H LYS A 34 9.126 -3.902 0.783 1.00 10.00 H new ATOM 0 HA LYS A 34 11.174 -3.619 2.807 1.00 10.00 H new ATOM 0 HB2 LYS A 34 11.080 -4.606 0.261 1.00 10.00 H new ATOM 0 HB3 LYS A 34 11.629 -2.976 -0.073 1.00 10.00 H new ATOM 0 HG2 LYS A 34 13.389 -3.240 1.731 1.00 10.00 H new ATOM 0 HG3 LYS A 34 12.873 -4.900 1.953 1.00 10.00 H new ATOM 0 HD2 LYS A 34 13.725 -5.592 -0.149 1.00 10.00 H new ATOM 0 HD3 LYS A 34 13.666 -3.976 -0.824 1.00 10.00 H new ATOM 0 HE2 LYS A 34 15.553 -3.233 0.459 1.00 10.00 H new ATOM 0 HE3 LYS A 34 15.416 -4.558 1.597 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 17.264 -4.867 0.111 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 16.107 -6.084 -0.139 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 16.240 -4.800 -1.242 1.00 10.00 H new ATOM 562 N PHE A 35 9.644 -1.026 1.870 1.00 10.00 N ATOM 563 CA PHE A 35 9.517 0.408 2.026 1.00 10.00 C ATOM 564 C PHE A 35 8.978 0.760 3.412 1.00 10.00 C ATOM 565 O PHE A 35 8.790 1.934 3.699 1.00 10.00 O ATOM 566 CB PHE A 35 8.591 0.954 0.935 1.00 10.00 C ATOM 567 CG PHE A 35 8.829 2.412 0.574 1.00 10.00 C ATOM 568 CD1 PHE A 35 10.068 2.808 0.031 1.00 10.00 C ATOM 569 CD2 PHE A 35 7.810 3.370 0.746 1.00 10.00 C ATOM 570 CE1 PHE A 35 10.262 4.131 -0.401 1.00 10.00 C ATOM 571 CE2 PHE A 35 8.011 4.697 0.328 1.00 10.00 C ATOM 572 CZ PHE A 35 9.227 5.072 -0.272 1.00 10.00 C ATOM 0 H PHE A 35 8.766 -1.487 1.630 1.00 10.00 H new ATOM 0 HA PHE A 35 10.502 0.865 1.928 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.711 0.347 0.038 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.558 0.838 1.262 1.00 10.00 H new ATOM 0 HD1 PHE A 35 10.872 2.092 -0.053 1.00 10.00 H new ATOM 0 HD2 PHE A 35 6.873 3.084 1.200 1.00 10.00 H new ATOM 0 HE1 PHE A 35 11.208 4.425 -0.833 1.00 10.00 H new ATOM 0 HE2 PHE A 35 7.230 5.430 0.468 1.00 10.00 H new ATOM 0 HZ PHE A 35 9.364 6.081 -0.632 1.00 10.00 H new ATOM 582 N LEU A 36 8.682 -0.223 4.274 1.00 10.00 N ATOM 583 CA LEU A 36 8.124 0.073 5.588 1.00 10.00 C ATOM 584 C LEU A 36 9.066 0.989 6.371 1.00 10.00 C ATOM 585 O LEU A 36 8.666 2.070 6.792 1.00 10.00 O ATOM 586 CB LEU A 36 7.879 -1.234 6.342 1.00 10.00 C ATOM 587 CG LEU A 36 6.760 -2.081 5.721 1.00 10.00 C ATOM 588 CD1 LEU A 36 6.767 -3.463 6.386 1.00 10.00 C ATOM 589 CD2 LEU A 36 5.385 -1.426 5.869 1.00 10.00 C ATOM 0 H LEU A 36 8.820 -1.215 4.083 1.00 10.00 H new ATOM 0 HA LEU A 36 7.174 0.594 5.470 1.00 10.00 H new ATOM 0 HB2 LEU A 36 8.801 -1.816 6.360 1.00 10.00 H new ATOM 0 HB3 LEU A 36 7.625 -1.008 7.378 1.00 10.00 H new ATOM 0 HG LEU A 36 6.949 -2.171 4.651 1.00 10.00 H new ATOM 0 HD11 LEU A 36 5.977 -4.078 5.955 1.00 10.00 H new ATOM 0 HD12 LEU A 36 7.732 -3.942 6.219 1.00 10.00 H new ATOM 0 HD13 LEU A 36 6.598 -3.352 7.457 1.00 10.00 H new ATOM 0 HD21 LEU A 36 4.627 -2.064 5.414 1.00 10.00 H new ATOM 0 HD22 LEU A 36 5.158 -1.291 6.927 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.389 -0.456 5.372 1.00 10.00 H new ATOM 601 N GLU A 37 10.319 0.564 6.546 1.00 10.00 N ATOM 602 CA GLU A 37 11.327 1.349 7.245 1.00 10.00 C ATOM 603 C GLU A 37 11.613 2.666 6.512 1.00 10.00 C ATOM 604 O GLU A 37 11.808 3.703 7.142 1.00 10.00 O ATOM 605 CB GLU A 37 12.590 0.498 7.450 1.00 10.00 C ATOM 606 CG GLU A 37 13.270 0.057 6.144 1.00 10.00 C ATOM 607 CD GLU A 37 14.458 -0.857 6.416 1.00 10.00 C ATOM 608 OE1 GLU A 37 15.325 -0.436 7.211 1.00 10.00 O ATOM 609 OE2 GLU A 37 14.470 -1.964 5.834 1.00 10.00 O ATOM 0 H GLU A 37 10.659 -0.335 6.205 1.00 10.00 H new ATOM 0 HA GLU A 37 10.950 1.629 8.229 1.00 10.00 H new ATOM 0 HB2 GLU A 37 13.305 1.066 8.045 1.00 10.00 H new ATOM 0 HB3 GLU A 37 12.328 -0.388 8.028 1.00 10.00 H new ATOM 0 HG2 GLU A 37 12.548 -0.461 5.513 1.00 10.00 H new ATOM 0 HG3 GLU A 37 13.604 0.935 5.591 1.00 10.00 H new ATOM 616 N GLU A 38 11.628 2.618 5.177 1.00 10.00 N ATOM 617 CA GLU A 38 11.884 3.766 4.322 1.00 10.00 C ATOM 618 C GLU A 38 10.797 4.824 4.519 1.00 10.00 C ATOM 619 O GLU A 38 11.073 6.022 4.494 1.00 10.00 O ATOM 620 CB GLU A 38 11.914 3.303 2.863 1.00 10.00 C ATOM 621 CG GLU A 38 13.046 2.303 2.570 1.00 10.00 C ATOM 622 CD GLU A 38 14.128 2.929 1.701 1.00 10.00 C ATOM 623 OE1 GLU A 38 14.966 3.658 2.272 1.00 10.00 O ATOM 624 OE2 GLU A 38 14.075 2.688 0.475 1.00 10.00 O ATOM 0 H GLU A 38 11.458 1.758 4.655 1.00 10.00 H new ATOM 0 HA GLU A 38 12.845 4.209 4.584 1.00 10.00 H new ATOM 0 HB2 GLU A 38 10.958 2.843 2.614 1.00 10.00 H new ATOM 0 HB3 GLU A 38 12.028 4.172 2.215 1.00 10.00 H new ATOM 0 HG2 GLU A 38 13.483 1.961 3.508 1.00 10.00 H new ATOM 0 HG3 GLU A 38 12.638 1.425 2.069 1.00 10.00 H new ATOM 631 N HIS A 39 9.549 4.379 4.672 1.00 10.00 N ATOM 632 CA HIS A 39 8.394 5.251 4.762 1.00 10.00 C ATOM 633 C HIS A 39 8.488 6.140 6.009 1.00 10.00 C ATOM 634 O HIS A 39 8.393 5.633 7.125 1.00 10.00 O ATOM 635 CB HIS A 39 7.116 4.414 4.790 1.00 10.00 C ATOM 636 CG HIS A 39 5.878 5.260 4.799 1.00 10.00 C ATOM 637 ND1 HIS A 39 4.996 5.354 5.845 1.00 10.00 N ATOM 638 CD2 HIS A 39 5.343 5.925 3.729 1.00 10.00 C ATOM 639 CE1 HIS A 39 3.937 6.049 5.400 1.00 10.00 C ATOM 640 NE2 HIS A 39 4.101 6.433 4.117 1.00 10.00 N ATOM 0 H HIS A 39 9.317 3.388 4.737 1.00 10.00 H new ATOM 0 HA HIS A 39 8.370 5.900 3.886 1.00 10.00 H new ATOM 0 HB2 HIS A 39 7.097 3.756 3.921 1.00 10.00 H new ATOM 0 HB3 HIS A 39 7.123 3.775 5.673 1.00 10.00 H new ATOM 0 HD1 HIS A 39 5.121 4.970 6.782 1.00 10.00 H new ATOM 0 HD2 HIS A 39 5.800 6.037 2.757 1.00 10.00 H new ATOM 0 HE1 HIS A 39 3.063 6.273 5.994 1.00 10.00 H new ATOM 648 N PRO A 40 8.614 7.468 5.854 1.00 10.00 N ATOM 649 CA PRO A 40 8.814 8.363 6.980 1.00 10.00 C ATOM 650 C PRO A 40 7.530 8.602 7.784 1.00 10.00 C ATOM 651 O PRO A 40 7.598 9.209 8.849 1.00 10.00 O ATOM 652 CB PRO A 40 9.361 9.657 6.373 1.00 10.00 C ATOM 653 CG PRO A 40 8.817 9.669 4.944 1.00 10.00 C ATOM 654 CD PRO A 40 8.627 8.193 4.593 1.00 10.00 C ATOM 0 HA PRO A 40 9.505 7.932 7.705 1.00 10.00 H new ATOM 0 HB2 PRO A 40 9.026 10.530 6.933 1.00 10.00 H new ATOM 0 HB3 PRO A 40 10.451 9.671 6.383 1.00 10.00 H new ATOM 0 HG2 PRO A 40 7.876 10.216 4.882 1.00 10.00 H new ATOM 0 HG3 PRO A 40 9.513 10.153 4.259 1.00 10.00 H new ATOM 0 HD2 PRO A 40 7.695 8.040 4.048 1.00 10.00 H new ATOM 0 HD3 PRO A 40 9.434 7.840 3.951 1.00 10.00 H new ATOM 662 N GLY A 41 6.367 8.159 7.289 1.00 10.00 N ATOM 663 CA GLY A 41 5.100 8.312 7.989 1.00 10.00 C ATOM 664 C GLY A 41 5.022 7.392 9.205 1.00 10.00 C ATOM 665 O GLY A 41 5.494 7.726 10.288 1.00 10.00 O ATOM 0 H GLY A 41 6.286 7.685 6.390 1.00 10.00 H new ATOM 0 HA2 GLY A 41 4.980 9.348 8.306 1.00 10.00 H new ATOM 0 HA3 GLY A 41 4.278 8.090 7.309 1.00 10.00 H new ATOM 669 N GLY A 42 4.403 6.223 9.032 1.00 10.00 N ATOM 670 CA GLY A 42 4.372 5.186 10.046 1.00 10.00 C ATOM 671 C GLY A 42 4.451 3.837 9.348 1.00 10.00 C ATOM 672 O GLY A 42 3.602 3.527 8.514 1.00 10.00 O ATOM 0 H GLY A 42 3.908 5.975 8.176 1.00 10.00 H new ATOM 0 HA2 GLY A 42 5.206 5.306 10.738 1.00 10.00 H new ATOM 0 HA3 GLY A 42 3.457 5.257 10.634 1.00 10.00 H new ATOM 676 N GLU A 43 5.469 3.040 9.667 1.00 10.00 N ATOM 677 CA GLU A 43 5.558 1.670 9.194 1.00 10.00 C ATOM 678 C GLU A 43 4.386 0.866 9.762 1.00 10.00 C ATOM 679 O GLU A 43 3.728 0.119 9.041 1.00 10.00 O ATOM 680 CB GLU A 43 6.938 1.107 9.552 1.00 10.00 C ATOM 681 CG GLU A 43 7.229 0.936 11.050 1.00 10.00 C ATOM 682 CD GLU A 43 6.833 -0.450 11.552 1.00 10.00 C ATOM 683 OE1 GLU A 43 7.359 -1.431 10.985 1.00 10.00 O ATOM 684 OE2 GLU A 43 5.993 -0.498 12.474 1.00 10.00 O ATOM 0 H GLU A 43 6.249 3.329 10.258 1.00 10.00 H new ATOM 0 HA GLU A 43 5.473 1.611 8.109 1.00 10.00 H new ATOM 0 HB2 GLU A 43 7.049 0.137 9.068 1.00 10.00 H new ATOM 0 HB3 GLU A 43 7.697 1.764 9.128 1.00 10.00 H new ATOM 0 HG2 GLU A 43 8.291 1.099 11.235 1.00 10.00 H new ATOM 0 HG3 GLU A 43 6.687 1.695 11.614 1.00 10.00 H new ATOM 691 N ALA A 44 4.081 1.090 11.043 1.00 10.00 N ATOM 692 CA ALA A 44 3.011 0.409 11.746 1.00 10.00 C ATOM 693 C ALA A 44 1.691 0.700 11.056 1.00 10.00 C ATOM 694 O ALA A 44 0.950 -0.227 10.748 1.00 10.00 O ATOM 695 CB ALA A 44 2.969 0.834 13.215 1.00 10.00 C ATOM 0 H ALA A 44 4.584 1.762 11.623 1.00 10.00 H new ATOM 0 HA ALA A 44 3.193 -0.665 11.722 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.159 0.310 13.722 1.00 10.00 H new ATOM 0 HB2 ALA A 44 3.917 0.586 13.693 1.00 10.00 H new ATOM 0 HB3 ALA A 44 2.802 1.909 13.278 1.00 10.00 H new ATOM 701 N VAL A 45 1.397 1.977 10.779 1.00 10.00 N ATOM 702 CA VAL A 45 0.197 2.293 10.026 1.00 10.00 C ATOM 703 C VAL A 45 0.286 1.667 8.630 1.00 10.00 C ATOM 704 O VAL A 45 -0.704 1.062 8.211 1.00 10.00 O ATOM 705 CB VAL A 45 -0.187 3.787 10.062 1.00 10.00 C ATOM 706 CG1 VAL A 45 0.571 4.657 9.054 1.00 10.00 C ATOM 707 CG2 VAL A 45 -1.706 3.940 9.867 1.00 10.00 C ATOM 0 H VAL A 45 1.960 2.780 11.059 1.00 10.00 H new ATOM 0 HA VAL A 45 -0.658 1.833 10.522 1.00 10.00 H new ATOM 0 HB VAL A 45 0.109 4.153 11.045 1.00 10.00 H new ATOM 0 HG11 VAL A 45 0.241 5.692 9.146 1.00 10.00 H new ATOM 0 HG12 VAL A 45 1.641 4.598 9.255 1.00 10.00 H new ATOM 0 HG13 VAL A 45 0.371 4.301 8.043 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -1.972 4.997 9.893 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -1.994 3.517 8.904 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -2.230 3.414 10.665 1.00 10.00 H new ATOM 717 N LEU A 46 1.438 1.725 7.923 1.00 10.00 N ATOM 718 CA LEU A 46 1.469 1.040 6.636 1.00 10.00 C ATOM 719 C LEU A 46 1.135 -0.457 6.762 1.00 10.00 C ATOM 720 O LEU A 46 0.435 -1.000 5.911 1.00 10.00 O ATOM 721 CB LEU A 46 2.810 1.304 5.936 1.00 10.00 C ATOM 722 CG LEU A 46 2.605 1.893 4.534 1.00 10.00 C ATOM 723 CD1 LEU A 46 3.886 2.571 4.058 1.00 10.00 C ATOM 724 CD2 LEU A 46 2.189 0.812 3.545 1.00 10.00 C ATOM 0 H LEU A 46 2.293 2.204 8.204 1.00 10.00 H new ATOM 0 HA LEU A 46 0.681 1.451 6.005 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.406 1.991 6.537 1.00 10.00 H new ATOM 0 HB3 LEU A 46 3.373 0.373 5.862 1.00 10.00 H new ATOM 0 HG LEU A 46 1.807 2.633 4.588 1.00 10.00 H new ATOM 0 HD11 LEU A 46 3.730 2.986 3.062 1.00 10.00 H new ATOM 0 HD12 LEU A 46 4.151 3.373 4.747 1.00 10.00 H new ATOM 0 HD13 LEU A 46 4.694 1.840 4.024 1.00 10.00 H new ATOM 0 HD21 LEU A 46 2.050 1.255 2.559 1.00 10.00 H new ATOM 0 HD22 LEU A 46 2.965 0.048 3.493 1.00 10.00 H new ATOM 0 HD23 LEU A 46 1.254 0.358 3.874 1.00 10.00 H new ATOM 736 N ARG A 47 1.593 -1.125 7.824 1.00 10.00 N ATOM 737 CA ARG A 47 1.421 -2.560 8.003 1.00 10.00 C ATOM 738 C ARG A 47 0.008 -2.898 8.476 1.00 10.00 C ATOM 739 O ARG A 47 -0.584 -3.872 8.025 1.00 10.00 O ATOM 740 CB ARG A 47 2.486 -3.080 8.978 1.00 10.00 C ATOM 741 CG ARG A 47 2.459 -4.609 9.149 1.00 10.00 C ATOM 742 CD ARG A 47 2.836 -5.365 7.861 1.00 10.00 C ATOM 743 NE ARG A 47 4.090 -6.117 8.012 1.00 10.00 N ATOM 744 CZ ARG A 47 4.233 -7.261 8.700 1.00 10.00 C ATOM 745 NH1 ARG A 47 3.161 -7.843 9.254 1.00 10.00 N ATOM 746 NH2 ARG A 47 5.447 -7.810 8.824 1.00 10.00 N ATOM 0 H ARG A 47 2.098 -0.676 8.588 1.00 10.00 H new ATOM 0 HA ARG A 47 1.553 -3.057 7.042 1.00 10.00 H new ATOM 0 HB2 ARG A 47 3.472 -2.778 8.624 1.00 10.00 H new ATOM 0 HB3 ARG A 47 2.339 -2.610 9.950 1.00 10.00 H new ATOM 0 HG2 ARG A 47 3.148 -4.892 9.945 1.00 10.00 H new ATOM 0 HG3 ARG A 47 1.462 -4.916 9.466 1.00 10.00 H new ATOM 0 HD2 ARG A 47 2.032 -6.051 7.594 1.00 10.00 H new ATOM 0 HD3 ARG A 47 2.935 -4.655 7.040 1.00 10.00 H new ATOM 0 HE ARG A 47 4.920 -5.738 7.556 1.00 10.00 H new ATOM 0 HH11 ARG A 47 2.240 -7.417 9.152 1.00 10.00 H new ATOM 0 HH12 ARG A 47 3.266 -8.712 9.777 1.00 10.00 H new ATOM 0 HH21 ARG A 47 6.256 -7.359 8.397 1.00 10.00 H new ATOM 0 HH22 ARG A 47 5.563 -8.679 9.345 1.00 10.00 H new ATOM 760 N ALA A 48 -0.541 -2.103 9.389 1.00 10.00 N ATOM 761 CA ALA A 48 -1.871 -2.304 9.937 1.00 10.00 C ATOM 762 C ALA A 48 -2.922 -2.187 8.838 1.00 10.00 C ATOM 763 O ALA A 48 -3.891 -2.941 8.816 1.00 10.00 O ATOM 764 CB ALA A 48 -2.106 -1.263 11.029 1.00 10.00 C ATOM 0 H ALA A 48 -0.063 -1.288 9.773 1.00 10.00 H new ATOM 0 HA ALA A 48 -1.952 -3.304 10.364 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -3.101 -1.398 11.453 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -1.358 -1.383 11.813 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -2.027 -0.263 10.602 1.00 10.00 H new ATOM 770 N GLN A 49 -2.726 -1.233 7.926 1.00 10.00 N ATOM 771 CA GLN A 49 -3.589 -1.046 6.780 1.00 10.00 C ATOM 772 C GLN A 49 -3.243 -2.027 5.648 1.00 10.00 C ATOM 773 O GLN A 49 -4.001 -2.145 4.687 1.00 10.00 O ATOM 774 CB GLN A 49 -3.436 0.416 6.359 1.00 10.00 C ATOM 775 CG GLN A 49 -4.189 1.365 7.301 1.00 10.00 C ATOM 776 CD GLN A 49 -5.701 1.323 7.093 1.00 10.00 C ATOM 777 OE1 GLN A 49 -6.179 1.602 6.003 1.00 10.00 O ATOM 778 NE2 GLN A 49 -6.481 1.026 8.127 1.00 10.00 N ATOM 0 H GLN A 49 -1.954 -0.568 7.971 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.629 -1.259 7.028 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -2.379 0.681 6.346 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.809 0.542 5.343 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -3.961 1.102 8.334 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -3.833 2.383 7.145 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -6.066 0.795 9.030 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -7.495 1.029 8.018 1.00 10.00 H new ATOM 787 N ALA A 50 -2.107 -2.729 5.736 1.00 10.00 N ATOM 788 CA ALA A 50 -1.710 -3.676 4.709 1.00 10.00 C ATOM 789 C ALA A 50 -2.653 -4.877 4.635 1.00 10.00 C ATOM 790 O ALA A 50 -3.207 -5.326 5.636 1.00 10.00 O ATOM 791 CB ALA A 50 -0.267 -4.130 4.896 1.00 10.00 C ATOM 0 H ALA A 50 -1.451 -2.653 6.513 1.00 10.00 H new ATOM 0 HA ALA A 50 -1.779 -3.150 3.757 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -0.004 -4.838 4.110 1.00 10.00 H new ATOM 0 HB2 ALA A 50 0.396 -3.266 4.843 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -0.160 -4.611 5.868 1.00 10.00 H new ATOM 797 N GLY A 51 -2.804 -5.414 3.426 1.00 10.00 N ATOM 798 CA GLY A 51 -3.733 -6.473 3.102 1.00 10.00 C ATOM 799 C GLY A 51 -5.152 -5.974 3.278 1.00 10.00 C ATOM 800 O GLY A 51 -5.915 -6.535 4.054 1.00 10.00 O ATOM 0 H GLY A 51 -2.258 -5.106 2.621 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -3.578 -6.805 2.075 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -3.557 -7.335 3.746 1.00 10.00 H new ATOM 804 N GLY A 52 -5.515 -4.921 2.552 1.00 10.00 N ATOM 805 CA GLY A 52 -6.862 -4.398 2.584 1.00 10.00 C ATOM 806 C GLY A 52 -6.902 -3.077 1.840 1.00 10.00 C ATOM 807 O GLY A 52 -5.917 -2.681 1.206 1.00 10.00 O ATOM 0 H GLY A 52 -4.883 -4.415 1.932 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -7.551 -5.108 2.127 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -7.186 -4.258 3.615 1.00 10.00 H new ATOM 811 N ASP A 53 -8.043 -2.394 1.923 1.00 10.00 N ATOM 812 CA ASP A 53 -8.124 -1.026 1.469 1.00 10.00 C ATOM 813 C ASP A 53 -7.348 -0.163 2.451 1.00 10.00 C ATOM 814 O ASP A 53 -7.413 -0.368 3.661 1.00 10.00 O ATOM 815 CB ASP A 53 -9.578 -0.577 1.287 1.00 10.00 C ATOM 816 CG ASP A 53 -10.180 -0.035 2.573 1.00 10.00 C ATOM 817 OD1 ASP A 53 -10.683 -0.870 3.355 1.00 10.00 O ATOM 818 OD2 ASP A 53 -10.113 1.205 2.733 1.00 10.00 O ATOM 0 H ASP A 53 -8.913 -2.771 2.299 1.00 10.00 H new ATOM 0 HA ASP A 53 -7.675 -0.924 0.481 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -9.625 0.191 0.515 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -10.175 -1.419 0.936 1.00 10.00 H new ATOM 823 N ALA A 54 -6.576 0.776 1.913 1.00 10.00 N ATOM 824 CA ALA A 54 -5.990 1.826 2.719 1.00 10.00 C ATOM 825 C ALA A 54 -6.132 3.149 2.000 1.00 10.00 C ATOM 826 O ALA A 54 -5.377 4.078 2.264 1.00 10.00 O ATOM 827 CB ALA A 54 -4.528 1.498 3.000 1.00 10.00 C ATOM 0 H ALA A 54 -6.345 0.826 0.921 1.00 10.00 H new ATOM 0 HA ALA A 54 -6.509 1.900 3.675 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -4.088 2.289 3.607 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -4.464 0.551 3.536 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -3.985 1.419 2.058 1.00 10.00 H new ATOM 833 N THR A 55 -7.086 3.238 1.073 1.00 10.00 N ATOM 834 CA THR A 55 -7.211 4.406 0.231 1.00 10.00 C ATOM 835 C THR A 55 -7.577 5.600 1.108 1.00 10.00 C ATOM 836 O THR A 55 -6.893 6.619 1.073 1.00 10.00 O ATOM 837 CB THR A 55 -8.209 4.123 -0.896 1.00 10.00 C ATOM 838 OG1 THR A 55 -7.855 2.938 -1.593 1.00 10.00 O ATOM 839 CG2 THR A 55 -8.147 5.261 -1.908 1.00 10.00 C ATOM 0 H THR A 55 -7.778 2.511 0.894 1.00 10.00 H new ATOM 0 HA THR A 55 -6.270 4.652 -0.262 1.00 10.00 H new ATOM 0 HB THR A 55 -9.200 4.021 -0.455 1.00 10.00 H new ATOM 0 HG1 THR A 55 -7.168 2.455 -1.088 1.00 10.00 H new ATOM 0 HG21 THR A 55 -8.854 5.069 -2.715 1.00 10.00 H new ATOM 0 HG22 THR A 55 -8.403 6.199 -1.416 1.00 10.00 H new ATOM 0 HG23 THR A 55 -7.139 5.329 -2.317 1.00 10.00 H new ATOM 847 N ALA A 56 -8.602 5.434 1.949 1.00 10.00 N ATOM 848 CA ALA A 56 -9.044 6.463 2.879 1.00 10.00 C ATOM 849 C ALA A 56 -7.917 6.862 3.839 1.00 10.00 C ATOM 850 O ALA A 56 -7.786 8.023 4.196 1.00 10.00 O ATOM 851 CB ALA A 56 -10.282 5.981 3.640 1.00 10.00 C ATOM 0 H ALA A 56 -9.148 4.574 2.000 1.00 10.00 H new ATOM 0 HA ALA A 56 -9.313 7.354 2.312 1.00 10.00 H new ATOM 0 HB1 ALA A 56 -10.607 6.756 4.334 1.00 10.00 H new ATOM 0 HB2 ALA A 56 -11.084 5.768 2.933 1.00 10.00 H new ATOM 0 HB3 ALA A 56 -10.038 5.076 4.196 1.00 10.00 H new ATOM 857 N ASN A 57 -7.087 5.908 4.262 1.00 10.00 N ATOM 858 CA ASN A 57 -5.990 6.174 5.189 1.00 10.00 C ATOM 859 C ASN A 57 -4.879 6.968 4.495 1.00 10.00 C ATOM 860 O ASN A 57 -4.395 7.981 4.997 1.00 10.00 O ATOM 861 CB ASN A 57 -5.453 4.844 5.742 1.00 10.00 C ATOM 862 CG ASN A 57 -5.709 4.714 7.238 1.00 10.00 C ATOM 863 OD1 ASN A 57 -4.836 5.000 8.050 1.00 10.00 O ATOM 864 ND2 ASN A 57 -6.901 4.264 7.616 1.00 10.00 N ATOM 0 H ASN A 57 -7.157 4.933 3.972 1.00 10.00 H new ATOM 0 HA ASN A 57 -6.359 6.777 6.019 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -5.926 4.014 5.218 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -4.383 4.774 5.548 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -7.111 4.148 8.607 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -7.606 4.035 6.915 1.00 10.00 H new ATOM 871 N PHE A 58 -4.467 6.482 3.326 1.00 10.00 N ATOM 872 CA PHE A 58 -3.470 7.107 2.473 1.00 10.00 C ATOM 873 C PHE A 58 -3.872 8.543 2.115 1.00 10.00 C ATOM 874 O PHE A 58 -3.046 9.460 2.174 1.00 10.00 O ATOM 875 CB PHE A 58 -3.313 6.241 1.220 1.00 10.00 C ATOM 876 CG PHE A 58 -2.491 6.859 0.109 1.00 10.00 C ATOM 877 CD1 PHE A 58 -1.097 6.695 0.083 1.00 10.00 C ATOM 878 CD2 PHE A 58 -3.136 7.503 -0.961 1.00 10.00 C ATOM 879 CE1 PHE A 58 -0.345 7.181 -1.000 1.00 10.00 C ATOM 880 CE2 PHE A 58 -2.390 7.975 -2.053 1.00 10.00 C ATOM 881 CZ PHE A 58 -0.993 7.821 -2.071 1.00 10.00 C ATOM 0 H PHE A 58 -4.833 5.613 2.937 1.00 10.00 H new ATOM 0 HA PHE A 58 -2.517 7.174 2.997 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -2.854 5.295 1.507 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -4.305 6.009 0.831 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -0.600 6.193 0.900 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -4.208 7.635 -0.943 1.00 10.00 H new ATOM 0 HE1 PHE A 58 0.729 7.063 -1.010 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -2.890 8.457 -2.880 1.00 10.00 H new ATOM 0 HZ PHE A 58 -0.418 8.194 -2.906 1.00 10.00 H new ATOM 891 N GLU A 59 -5.132 8.737 1.715 1.00 10.00 N ATOM 892 CA GLU A 59 -5.631 10.041 1.311 1.00 10.00 C ATOM 893 C GLU A 59 -5.919 10.938 2.519 1.00 10.00 C ATOM 894 O GLU A 59 -5.686 12.141 2.435 1.00 10.00 O ATOM 895 CB GLU A 59 -6.807 9.886 0.341 1.00 10.00 C ATOM 896 CG GLU A 59 -8.106 9.404 0.989 1.00 10.00 C ATOM 897 CD GLU A 59 -9.065 10.549 1.281 1.00 10.00 C ATOM 898 OE1 GLU A 59 -9.783 10.927 0.332 1.00 10.00 O ATOM 899 OE2 GLU A 59 -9.054 11.025 2.435 1.00 10.00 O ATOM 0 H GLU A 59 -5.828 7.993 1.665 1.00 10.00 H new ATOM 0 HA GLU A 59 -4.852 10.567 0.759 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -6.991 10.845 -0.142 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -6.525 9.183 -0.443 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -8.593 8.684 0.331 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -7.874 8.881 1.917 1.00 10.00 H new ATOM 906 N ALA A 60 -6.352 10.354 3.646 1.00 10.00 N ATOM 907 CA ALA A 60 -6.616 11.082 4.886 1.00 10.00 C ATOM 908 C ALA A 60 -5.435 11.976 5.240 1.00 10.00 C ATOM 909 O ALA A 60 -5.612 13.153 5.546 1.00 10.00 O ATOM 910 CB ALA A 60 -6.908 10.123 6.049 1.00 10.00 C ATOM 0 H ALA A 60 -6.529 9.352 3.718 1.00 10.00 H new ATOM 0 HA ALA A 60 -7.499 11.700 4.723 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -7.100 10.698 6.955 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -7.783 9.518 5.811 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -6.049 9.471 6.208 1.00 10.00 H new ATOM 916 N VAL A 61 -4.228 11.406 5.213 1.00 10.00 N ATOM 917 CA VAL A 61 -3.018 12.187 5.419 1.00 10.00 C ATOM 918 C VAL A 61 -2.636 12.924 4.134 1.00 10.00 C ATOM 919 O VAL A 61 -2.208 14.075 4.186 1.00 10.00 O ATOM 920 CB VAL A 61 -1.901 11.311 6.000 1.00 10.00 C ATOM 921 CG1 VAL A 61 -2.433 10.560 7.229 1.00 10.00 C ATOM 922 CG2 VAL A 61 -1.331 10.311 4.992 1.00 10.00 C ATOM 0 H VAL A 61 -4.068 10.412 5.051 1.00 10.00 H new ATOM 0 HA VAL A 61 -3.199 12.961 6.164 1.00 10.00 H new ATOM 0 HB VAL A 61 -1.083 11.977 6.276 1.00 10.00 H new ATOM 0 HG11 VAL A 61 -1.642 9.936 7.645 1.00 10.00 H new ATOM 0 HG12 VAL A 61 -2.761 11.278 7.980 1.00 10.00 H new ATOM 0 HG13 VAL A 61 -3.274 9.932 6.936 1.00 10.00 H new ATOM 0 HG21 VAL A 61 -0.546 9.723 5.467 1.00 10.00 H new ATOM 0 HG22 VAL A 61 -2.125 9.647 4.650 1.00 10.00 H new ATOM 0 HG23 VAL A 61 -0.916 10.850 4.140 1.00 10.00 H new ATOM 932 N GLY A 62 -2.825 12.281 2.977 1.00 10.00 N ATOM 933 CA GLY A 62 -2.511 12.880 1.694 1.00 10.00 C ATOM 934 C GLY A 62 -1.037 12.658 1.377 1.00 10.00 C ATOM 935 O GLY A 62 -0.256 12.284 2.247 1.00 10.00 O ATOM 0 H GLY A 62 -3.199 11.334 2.913 1.00 10.00 H new ATOM 0 HA2 GLY A 62 -3.132 12.440 0.914 1.00 10.00 H new ATOM 0 HA3 GLY A 62 -2.733 13.947 1.715 1.00 10.00 H new ATOM 939 N HIS A 63 -0.668 12.824 0.107 1.00 10.00 N ATOM 940 CA HIS A 63 0.629 12.416 -0.401 1.00 10.00 C ATOM 941 C HIS A 63 0.972 13.328 -1.586 1.00 10.00 C ATOM 942 O HIS A 63 0.091 13.620 -2.405 1.00 10.00 O ATOM 943 CB HIS A 63 0.541 10.924 -0.773 1.00 10.00 C ATOM 944 CG HIS A 63 0.668 9.980 0.411 1.00 10.00 C ATOM 945 ND1 HIS A 63 -0.344 9.508 1.224 1.00 10.00 N ATOM 946 CD2 HIS A 63 1.835 9.432 0.872 1.00 10.00 C ATOM 947 CE1 HIS A 63 0.217 8.695 2.140 1.00 10.00 C ATOM 948 NE2 HIS A 63 1.545 8.590 1.955 1.00 10.00 N ATOM 0 H HIS A 63 -1.270 13.249 -0.598 1.00 10.00 H new ATOM 0 HA HIS A 63 1.430 12.519 0.331 1.00 10.00 H new ATOM 0 HB2 HIS A 63 -0.412 10.740 -1.270 1.00 10.00 H new ATOM 0 HB3 HIS A 63 1.326 10.693 -1.493 1.00 10.00 H new ATOM 0 HD1 HIS A 63 -1.336 9.734 1.145 1.00 10.00 H new ATOM 0 HD2 HIS A 63 2.819 9.618 0.467 1.00 10.00 H new ATOM 0 HE1 HIS A 63 -0.330 8.192 2.923 1.00 10.00 H new ATOM 956 N SER A 64 2.213 13.831 -1.642 1.00 10.00 N ATOM 957 CA SER A 64 2.625 14.832 -2.624 1.00 10.00 C ATOM 958 C SER A 64 2.758 14.230 -4.029 1.00 10.00 C ATOM 959 O SER A 64 2.466 13.056 -4.246 1.00 10.00 O ATOM 960 CB SER A 64 3.942 15.467 -2.163 1.00 10.00 C ATOM 961 OG SER A 64 5.010 14.564 -2.376 1.00 10.00 O ATOM 0 H SER A 64 2.958 13.552 -1.004 1.00 10.00 H new ATOM 0 HA SER A 64 1.855 15.601 -2.690 1.00 10.00 H new ATOM 0 HB2 SER A 64 4.121 16.392 -2.711 1.00 10.00 H new ATOM 0 HB3 SER A 64 3.880 15.729 -1.107 1.00 10.00 H new ATOM 0 HG SER A 64 5.042 13.917 -1.641 1.00 10.00 H new ATOM 967 N THR A 65 3.227 15.020 -4.998 1.00 10.00 N ATOM 968 CA THR A 65 3.511 14.546 -6.343 1.00 10.00 C ATOM 969 C THR A 65 4.531 13.413 -6.292 1.00 10.00 C ATOM 970 O THR A 65 4.276 12.318 -6.792 1.00 10.00 O ATOM 971 CB THR A 65 4.028 15.730 -7.170 1.00 10.00 C ATOM 972 OG1 THR A 65 5.114 16.336 -6.493 1.00 10.00 O ATOM 973 CG2 THR A 65 2.936 16.793 -7.330 1.00 10.00 C ATOM 0 H THR A 65 3.420 16.013 -4.864 1.00 10.00 H new ATOM 0 HA THR A 65 2.609 14.151 -6.810 1.00 10.00 H new ATOM 0 HB THR A 65 4.331 15.355 -8.148 1.00 10.00 H new ATOM 0 HG1 THR A 65 5.447 17.092 -7.020 1.00 10.00 H new ATOM 0 HG21 THR A 65 3.322 17.625 -7.919 1.00 10.00 H new ATOM 0 HG22 THR A 65 2.075 16.357 -7.837 1.00 10.00 H new ATOM 0 HG23 THR A 65 2.633 17.154 -6.347 1.00 10.00 H new ATOM 981 N ASP A 66 5.670 13.686 -5.653 1.00 10.00 N ATOM 982 CA ASP A 66 6.756 12.734 -5.483 1.00 10.00 C ATOM 983 C ASP A 66 6.199 11.416 -4.956 1.00 10.00 C ATOM 984 O ASP A 66 6.458 10.357 -5.513 1.00 10.00 O ATOM 985 CB ASP A 66 7.825 13.315 -4.543 1.00 10.00 C ATOM 986 CG ASP A 66 9.224 12.985 -5.038 1.00 10.00 C ATOM 987 OD1 ASP A 66 9.603 13.580 -6.070 1.00 10.00 O ATOM 988 OD2 ASP A 66 9.886 12.160 -4.375 1.00 10.00 O ATOM 0 H ASP A 66 5.862 14.595 -5.233 1.00 10.00 H new ATOM 0 HA ASP A 66 7.233 12.542 -6.444 1.00 10.00 H new ATOM 0 HB2 ASP A 66 7.705 14.396 -4.475 1.00 10.00 H new ATOM 0 HB3 ASP A 66 7.687 12.915 -3.538 1.00 10.00 H new ATOM 993 N ALA A 67 5.358 11.487 -3.923 1.00 10.00 N ATOM 994 CA ALA A 67 4.703 10.320 -3.353 1.00 10.00 C ATOM 995 C ALA A 67 3.760 9.636 -4.348 1.00 10.00 C ATOM 996 O ALA A 67 3.795 8.413 -4.482 1.00 10.00 O ATOM 997 CB ALA A 67 3.948 10.731 -2.097 1.00 10.00 C ATOM 0 H ALA A 67 5.114 12.362 -3.460 1.00 10.00 H new ATOM 0 HA ALA A 67 5.473 9.591 -3.101 1.00 10.00 H new ATOM 0 HB1 ALA A 67 3.456 9.859 -1.667 1.00 10.00 H new ATOM 0 HB2 ALA A 67 4.647 11.147 -1.372 1.00 10.00 H new ATOM 0 HB3 ALA A 67 3.200 11.481 -2.352 1.00 10.00 H new ATOM 1003 N ARG A 68 2.913 10.411 -5.038 1.00 10.00 N ATOM 1004 CA ARG A 68 1.986 9.905 -6.050 1.00 10.00 C ATOM 1005 C ARG A 68 2.760 9.123 -7.136 1.00 10.00 C ATOM 1006 O ARG A 68 2.251 8.157 -7.708 1.00 10.00 O ATOM 1007 CB ARG A 68 1.192 11.063 -6.694 1.00 10.00 C ATOM 1008 CG ARG A 68 -0.291 11.129 -6.291 1.00 10.00 C ATOM 1009 CD ARG A 68 -0.514 11.469 -4.813 1.00 10.00 C ATOM 1010 NE ARG A 68 -1.424 12.612 -4.610 1.00 10.00 N ATOM 1011 CZ ARG A 68 -2.753 12.603 -4.808 1.00 10.00 C ATOM 1012 NH1 ARG A 68 -3.364 11.456 -5.122 1.00 10.00 N ATOM 1013 NH2 ARG A 68 -3.466 13.731 -4.699 1.00 10.00 N ATOM 0 H ARG A 68 2.854 11.421 -4.905 1.00 10.00 H new ATOM 0 HA ARG A 68 1.279 9.233 -5.563 1.00 10.00 H new ATOM 0 HB2 ARG A 68 1.669 12.006 -6.426 1.00 10.00 H new ATOM 0 HB3 ARG A 68 1.256 10.970 -7.778 1.00 10.00 H new ATOM 0 HG2 ARG A 68 -0.792 11.876 -6.906 1.00 10.00 H new ATOM 0 HG3 ARG A 68 -0.760 10.170 -6.509 1.00 10.00 H new ATOM 0 HD2 ARG A 68 -0.920 10.595 -4.303 1.00 10.00 H new ATOM 0 HD3 ARG A 68 0.447 11.691 -4.349 1.00 10.00 H new ATOM 0 HE ARG A 68 -1.008 13.487 -4.291 1.00 10.00 H new ATOM 0 HH11 ARG A 68 -2.822 10.597 -5.210 1.00 10.00 H new ATOM 0 HH12 ARG A 68 -4.372 11.440 -5.274 1.00 10.00 H new ATOM 0 HH21 ARG A 68 -3.001 14.608 -4.464 1.00 10.00 H new ATOM 0 HH22 ARG A 68 -4.474 13.714 -4.851 1.00 10.00 H new ATOM 1027 N GLU A 69 3.982 9.569 -7.449 1.00 10.00 N ATOM 1028 CA GLU A 69 4.840 8.962 -8.468 1.00 10.00 C ATOM 1029 C GLU A 69 5.612 7.775 -7.888 1.00 10.00 C ATOM 1030 O GLU A 69 5.790 6.731 -8.517 1.00 10.00 O ATOM 1031 CB GLU A 69 5.784 10.032 -9.025 1.00 10.00 C ATOM 1032 CG GLU A 69 5.194 10.710 -10.271 1.00 10.00 C ATOM 1033 CD GLU A 69 5.646 10.023 -11.558 1.00 10.00 C ATOM 1034 OE1 GLU A 69 5.524 8.780 -11.613 1.00 10.00 O ATOM 1035 OE2 GLU A 69 6.102 10.756 -12.461 1.00 10.00 O ATOM 0 H GLU A 69 4.408 10.376 -6.992 1.00 10.00 H new ATOM 0 HA GLU A 69 4.228 8.576 -9.283 1.00 10.00 H new ATOM 0 HB2 GLU A 69 5.978 10.782 -8.259 1.00 10.00 H new ATOM 0 HB3 GLU A 69 6.743 9.578 -9.276 1.00 10.00 H new ATOM 0 HG2 GLU A 69 4.106 10.693 -10.213 1.00 10.00 H new ATOM 0 HG3 GLU A 69 5.496 11.757 -10.292 1.00 10.00 H new ATOM 1042 N LEU A 70 6.062 7.908 -6.647 1.00 10.00 N ATOM 1043 CA LEU A 70 6.748 6.842 -5.958 1.00 10.00 C ATOM 1044 C LEU A 70 5.805 5.638 -5.892 1.00 10.00 C ATOM 1045 O LEU A 70 6.167 4.535 -6.294 1.00 10.00 O ATOM 1046 CB LEU A 70 7.175 7.362 -4.586 1.00 10.00 C ATOM 1047 CG LEU A 70 8.130 6.462 -3.781 1.00 10.00 C ATOM 1048 CD1 LEU A 70 8.324 5.050 -4.319 1.00 10.00 C ATOM 1049 CD2 LEU A 70 9.473 7.146 -3.568 1.00 10.00 C ATOM 0 H LEU A 70 5.958 8.761 -6.097 1.00 10.00 H new ATOM 0 HA LEU A 70 7.651 6.516 -6.474 1.00 10.00 H new ATOM 0 HB2 LEU A 70 7.653 8.332 -4.722 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.278 7.529 -3.989 1.00 10.00 H new ATOM 0 HG LEU A 70 7.625 6.323 -2.825 1.00 10.00 H new ATOM 0 HD11 LEU A 70 9.015 4.507 -3.675 1.00 10.00 H new ATOM 0 HD12 LEU A 70 7.364 4.533 -4.339 1.00 10.00 H new ATOM 0 HD13 LEU A 70 8.731 5.098 -5.329 1.00 10.00 H new ATOM 0 HD21 LEU A 70 10.129 6.489 -2.997 1.00 10.00 H new ATOM 0 HD22 LEU A 70 9.928 7.363 -4.534 1.00 10.00 H new ATOM 0 HD23 LEU A 70 9.325 8.076 -3.020 1.00 10.00 H new ATOM 1061 N SER A 71 4.568 5.849 -5.436 1.00 10.00 N ATOM 1062 CA SER A 71 3.545 4.816 -5.462 1.00 10.00 C ATOM 1063 C SER A 71 3.523 4.112 -6.812 1.00 10.00 C ATOM 1064 O SER A 71 3.686 2.899 -6.870 1.00 10.00 O ATOM 1065 CB SER A 71 2.192 5.350 -4.977 1.00 10.00 C ATOM 1066 OG SER A 71 1.569 6.252 -5.861 1.00 10.00 O ATOM 0 H SER A 71 4.255 6.736 -5.042 1.00 10.00 H new ATOM 0 HA SER A 71 3.797 4.038 -4.741 1.00 10.00 H new ATOM 0 HB2 SER A 71 1.523 4.507 -4.807 1.00 10.00 H new ATOM 0 HB3 SER A 71 2.334 5.843 -4.015 1.00 10.00 H new ATOM 0 HG SER A 71 2.251 6.714 -6.392 1.00 10.00 H new ATOM 1072 N LYS A 72 3.392 4.860 -7.905 1.00 10.00 N ATOM 1073 CA LYS A 72 3.460 4.292 -9.245 1.00 10.00 C ATOM 1074 C LYS A 72 4.669 3.353 -9.434 1.00 10.00 C ATOM 1075 O LYS A 72 4.510 2.264 -9.978 1.00 10.00 O ATOM 1076 CB LYS A 72 3.435 5.442 -10.260 1.00 10.00 C ATOM 1077 CG LYS A 72 1.996 5.911 -10.501 1.00 10.00 C ATOM 1078 CD LYS A 72 1.527 5.308 -11.827 1.00 10.00 C ATOM 1079 CE LYS A 72 0.028 5.013 -11.849 1.00 10.00 C ATOM 1080 NZ LYS A 72 -0.327 4.315 -13.101 1.00 10.00 N ATOM 0 H LYS A 72 3.237 5.868 -7.886 1.00 10.00 H new ATOM 0 HA LYS A 72 2.592 3.653 -9.408 1.00 10.00 H new ATOM 0 HB2 LYS A 72 4.038 6.272 -9.893 1.00 10.00 H new ATOM 0 HB3 LYS A 72 3.880 5.116 -11.200 1.00 10.00 H new ATOM 0 HG2 LYS A 72 1.348 5.592 -9.685 1.00 10.00 H new ATOM 0 HG3 LYS A 72 1.949 6.999 -10.538 1.00 10.00 H new ATOM 0 HD2 LYS A 72 1.769 5.995 -12.638 1.00 10.00 H new ATOM 0 HD3 LYS A 72 2.076 4.386 -12.015 1.00 10.00 H new ATOM 0 HE2 LYS A 72 -0.244 4.399 -10.990 1.00 10.00 H new ATOM 0 HE3 LYS A 72 -0.536 5.942 -11.768 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 -1.348 4.117 -13.111 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 -0.083 4.916 -13.914 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 0.200 3.420 -13.161 1.00 10.00 H new ATOM 1094 N THR A 73 5.853 3.716 -8.937 1.00 10.00 N ATOM 1095 CA THR A 73 7.037 2.852 -8.966 1.00 10.00 C ATOM 1096 C THR A 73 6.840 1.525 -8.216 1.00 10.00 C ATOM 1097 O THR A 73 7.428 0.515 -8.597 1.00 10.00 O ATOM 1098 CB THR A 73 8.281 3.648 -8.515 1.00 10.00 C ATOM 1099 OG1 THR A 73 8.796 4.349 -9.627 1.00 10.00 O ATOM 1100 CG2 THR A 73 9.401 2.806 -7.894 1.00 10.00 C ATOM 0 H THR A 73 6.019 4.623 -8.500 1.00 10.00 H new ATOM 0 HA THR A 73 7.205 2.541 -9.997 1.00 10.00 H new ATOM 0 HB THR A 73 7.941 4.315 -7.723 1.00 10.00 H new ATOM 0 HG1 THR A 73 9.586 4.861 -9.354 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.229 3.455 -7.610 1.00 10.00 H new ATOM 0 HG22 THR A 73 9.023 2.293 -7.010 1.00 10.00 H new ATOM 0 HG23 THR A 73 9.748 2.071 -8.620 1.00 10.00 H new ATOM 1108 N PHE A 74 6.003 1.506 -7.178 1.00 10.00 N ATOM 1109 CA PHE A 74 5.656 0.291 -6.439 1.00 10.00 C ATOM 1110 C PHE A 74 4.379 -0.360 -6.963 1.00 10.00 C ATOM 1111 O PHE A 74 3.941 -1.368 -6.403 1.00 10.00 O ATOM 1112 CB PHE A 74 5.498 0.594 -4.942 1.00 10.00 C ATOM 1113 CG PHE A 74 6.805 0.747 -4.198 1.00 10.00 C ATOM 1114 CD1 PHE A 74 7.699 -0.338 -4.126 1.00 10.00 C ATOM 1115 CD2 PHE A 74 7.080 1.925 -3.487 1.00 10.00 C ATOM 1116 CE1 PHE A 74 8.902 -0.215 -3.413 1.00 10.00 C ATOM 1117 CE2 PHE A 74 8.273 2.040 -2.757 1.00 10.00 C ATOM 1118 CZ PHE A 74 9.197 0.982 -2.740 1.00 10.00 C ATOM 0 H PHE A 74 5.542 2.343 -6.823 1.00 10.00 H new ATOM 0 HA PHE A 74 6.477 -0.411 -6.587 1.00 10.00 H new ATOM 0 HB2 PHE A 74 4.919 1.510 -4.828 1.00 10.00 H new ATOM 0 HB3 PHE A 74 4.922 -0.207 -4.480 1.00 10.00 H new ATOM 0 HD1 PHE A 74 7.459 -1.268 -4.621 1.00 10.00 H new ATOM 0 HD2 PHE A 74 6.374 2.742 -3.502 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.599 -1.039 -3.382 1.00 10.00 H new ATOM 0 HE2 PHE A 74 8.482 2.945 -2.206 1.00 10.00 H new ATOM 0 HZ PHE A 74 10.132 1.089 -2.211 1.00 10.00 H new ATOM 1128 N ILE A 75 3.744 0.210 -7.993 1.00 10.00 N ATOM 1129 CA ILE A 75 2.513 -0.368 -8.503 1.00 10.00 C ATOM 1130 C ILE A 75 2.798 -1.773 -9.033 1.00 10.00 C ATOM 1131 O ILE A 75 3.771 -1.972 -9.759 1.00 10.00 O ATOM 1132 CB ILE A 75 1.863 0.550 -9.548 1.00 10.00 C ATOM 1133 CG1 ILE A 75 0.351 0.548 -9.313 1.00 10.00 C ATOM 1134 CG2 ILE A 75 2.240 0.216 -10.999 1.00 10.00 C ATOM 1135 CD1 ILE A 75 -0.396 1.265 -10.423 1.00 10.00 C ATOM 0 H ILE A 75 4.059 1.052 -8.475 1.00 10.00 H new ATOM 0 HA ILE A 75 1.785 -0.459 -7.697 1.00 10.00 H new ATOM 0 HB ILE A 75 2.257 1.557 -9.412 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -0.004 -0.480 -9.242 1.00 10.00 H new ATOM 0 HG13 ILE A 75 0.131 1.028 -8.359 1.00 10.00 H new ATOM 0 HG21 ILE A 75 1.740 0.910 -11.674 1.00 10.00 H new ATOM 0 HG22 ILE A 75 3.319 0.303 -11.124 1.00 10.00 H new ATOM 0 HG23 ILE A 75 1.929 -0.803 -11.230 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -1.466 1.240 -10.217 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -0.061 2.301 -10.477 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -0.198 0.770 -11.374 1.00 10.00 H new ATOM 1147 N ILE A 76 1.954 -2.743 -8.684 1.00 10.00 N ATOM 1148 CA ILE A 76 2.055 -4.102 -9.221 1.00 10.00 C ATOM 1149 C ILE A 76 0.926 -4.396 -10.208 1.00 10.00 C ATOM 1150 O ILE A 76 0.999 -5.360 -10.965 1.00 10.00 O ATOM 1151 CB ILE A 76 2.151 -5.127 -8.078 1.00 10.00 C ATOM 1152 CG1 ILE A 76 1.258 -4.731 -6.891 1.00 10.00 C ATOM 1153 CG2 ILE A 76 3.630 -5.239 -7.681 1.00 10.00 C ATOM 1154 CD1 ILE A 76 1.056 -5.866 -5.887 1.00 10.00 C ATOM 0 H ILE A 76 1.186 -2.612 -8.026 1.00 10.00 H new ATOM 0 HA ILE A 76 2.978 -4.188 -9.795 1.00 10.00 H new ATOM 0 HB ILE A 76 1.785 -6.100 -8.407 1.00 10.00 H new ATOM 0 HG12 ILE A 76 1.701 -3.877 -6.380 1.00 10.00 H new ATOM 0 HG13 ILE A 76 0.287 -4.409 -7.266 1.00 10.00 H new ATOM 0 HG21 ILE A 76 3.735 -5.960 -6.870 1.00 10.00 H new ATOM 0 HG22 ILE A 76 4.213 -5.571 -8.540 1.00 10.00 H new ATOM 0 HG23 ILE A 76 3.993 -4.266 -7.351 1.00 10.00 H new ATOM 0 HD11 ILE A 76 0.417 -5.523 -5.073 1.00 10.00 H new ATOM 0 HD12 ILE A 76 0.585 -6.713 -6.386 1.00 10.00 H new ATOM 0 HD13 ILE A 76 2.022 -6.172 -5.485 1.00 10.00 H new ATOM 1166 N GLY A 77 -0.106 -3.554 -10.237 1.00 10.00 N ATOM 1167 CA GLY A 77 -1.236 -3.715 -11.125 1.00 10.00 C ATOM 1168 C GLY A 77 -2.368 -2.885 -10.569 1.00 10.00 C ATOM 1169 O GLY A 77 -2.149 -1.767 -10.100 1.00 10.00 O ATOM 0 H GLY A 77 -0.173 -2.734 -9.634 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -0.981 -3.390 -12.134 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -1.526 -4.764 -11.192 1.00 10.00 H new ATOM 1173 N GLU A 78 -3.564 -3.460 -10.591 1.00 10.00 N ATOM 1174 CA GLU A 78 -4.762 -2.803 -10.141 1.00 10.00 C ATOM 1175 C GLU A 78 -5.649 -3.787 -9.385 1.00 10.00 C ATOM 1176 O GLU A 78 -5.404 -4.993 -9.347 1.00 10.00 O ATOM 1177 CB GLU A 78 -5.456 -2.145 -11.343 1.00 10.00 C ATOM 1178 CG GLU A 78 -5.052 -0.683 -11.532 1.00 10.00 C ATOM 1179 CD GLU A 78 -6.082 0.068 -12.361 1.00 10.00 C ATOM 1180 OE1 GLU A 78 -6.525 -0.482 -13.387 1.00 10.00 O ATOM 1181 OE2 GLU A 78 -6.370 1.217 -11.963 1.00 10.00 O ATOM 0 H GLU A 78 -3.720 -4.410 -10.929 1.00 10.00 H new ATOM 0 HA GLU A 78 -4.525 -2.008 -9.433 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -5.214 -2.704 -12.247 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -6.536 -2.205 -11.211 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -4.945 -0.204 -10.559 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -4.079 -0.632 -12.022 1.00 10.00 H new ATOM 1188 N LEU A 79 -6.676 -3.243 -8.751 1.00 10.00 N ATOM 1189 CA LEU A 79 -7.682 -4.002 -8.044 1.00 10.00 C ATOM 1190 C LEU A 79 -8.518 -4.774 -9.064 1.00 10.00 C ATOM 1191 O LEU A 79 -8.903 -4.229 -10.099 1.00 10.00 O ATOM 1192 CB LEU A 79 -8.538 -3.002 -7.268 1.00 10.00 C ATOM 1193 CG LEU A 79 -9.780 -3.626 -6.621 1.00 10.00 C ATOM 1194 CD1 LEU A 79 -9.375 -4.378 -5.352 1.00 10.00 C ATOM 1195 CD2 LEU A 79 -10.829 -2.545 -6.345 1.00 10.00 C ATOM 0 H LEU A 79 -6.832 -2.236 -8.716 1.00 10.00 H new ATOM 0 HA LEU A 79 -7.244 -4.721 -7.352 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -7.928 -2.540 -6.492 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -8.852 -2.205 -7.943 1.00 10.00 H new ATOM 0 HG LEU A 79 -10.232 -4.346 -7.303 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -10.259 -4.821 -4.894 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -8.665 -5.165 -5.606 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -8.911 -3.685 -4.650 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -11.707 -2.999 -5.885 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -10.412 -1.797 -5.670 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -11.116 -2.068 -7.282 1.00 10.00 H new ATOM 1207 N HIS A 80 -8.832 -6.032 -8.766 1.00 10.00 N ATOM 1208 CA HIS A 80 -9.671 -6.862 -9.619 1.00 10.00 C ATOM 1209 C HIS A 80 -11.019 -6.191 -9.914 1.00 10.00 C ATOM 1210 O HIS A 80 -11.618 -5.585 -9.029 1.00 10.00 O ATOM 1211 CB HIS A 80 -9.848 -8.225 -8.951 1.00 10.00 C ATOM 1212 CG HIS A 80 -10.033 -9.361 -9.912 1.00 10.00 C ATOM 1213 ND1 HIS A 80 -11.226 -9.937 -10.264 1.00 10.00 N ATOM 1214 CD2 HIS A 80 -9.037 -10.030 -10.571 1.00 10.00 C ATOM 1215 CE1 HIS A 80 -10.960 -10.911 -11.144 1.00 10.00 C ATOM 1216 NE2 HIS A 80 -9.639 -11.004 -11.371 1.00 10.00 N ATOM 0 H HIS A 80 -8.509 -6.504 -7.922 1.00 10.00 H new ATOM 0 HA HIS A 80 -9.185 -6.996 -10.585 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -8.976 -8.428 -8.329 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -10.711 -8.182 -8.286 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -7.977 -9.839 -10.487 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -11.707 -11.537 -11.609 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -9.170 -11.655 -12.001 1.00 10.00 H new ATOM 1224 N PRO A 81 -11.525 -6.290 -11.152 1.00 10.00 N ATOM 1225 CA PRO A 81 -12.820 -5.731 -11.506 1.00 10.00 C ATOM 1226 C PRO A 81 -13.988 -6.482 -10.850 1.00 10.00 C ATOM 1227 O PRO A 81 -15.120 -6.033 -10.969 1.00 10.00 O ATOM 1228 CB PRO A 81 -12.878 -5.769 -13.034 1.00 10.00 C ATOM 1229 CG PRO A 81 -11.917 -6.895 -13.421 1.00 10.00 C ATOM 1230 CD PRO A 81 -10.891 -6.926 -12.296 1.00 10.00 C ATOM 0 HA PRO A 81 -12.924 -4.712 -11.133 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -13.889 -5.969 -13.389 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -12.571 -4.817 -13.468 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -12.438 -7.848 -13.509 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -11.444 -6.700 -14.384 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -10.601 -7.950 -12.061 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -9.983 -6.396 -12.583 1.00 10.00 H new ATOM 1238 N ASP A 82 -13.724 -7.602 -10.164 1.00 10.00 N ATOM 1239 CA ASP A 82 -14.728 -8.321 -9.380 1.00 10.00 C ATOM 1240 C ASP A 82 -15.051 -7.579 -8.075 1.00 10.00 C ATOM 1241 O ASP A 82 -16.180 -7.619 -7.597 1.00 10.00 O ATOM 1242 CB ASP A 82 -14.212 -9.735 -9.096 1.00 10.00 C ATOM 1243 CG ASP A 82 -15.255 -10.597 -8.404 1.00 10.00 C ATOM 1244 OD1 ASP A 82 -16.139 -11.099 -9.131 1.00 10.00 O ATOM 1245 OD2 ASP A 82 -15.102 -10.787 -7.180 1.00 10.00 O ATOM 0 H ASP A 82 -12.801 -8.035 -10.140 1.00 10.00 H new ATOM 0 HA ASP A 82 -15.655 -8.380 -9.950 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -13.916 -10.207 -10.033 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -13.320 -9.676 -8.473 1.00 10.00 H new ATOM 1250 N ASP A 83 -14.043 -6.911 -7.498 1.00 10.00 N ATOM 1251 CA ASP A 83 -14.194 -6.138 -6.266 1.00 10.00 C ATOM 1252 C ASP A 83 -15.092 -4.914 -6.494 1.00 10.00 C ATOM 1253 O ASP A 83 -16.052 -4.697 -5.755 1.00 10.00 O ATOM 1254 CB ASP A 83 -12.804 -5.731 -5.762 1.00 10.00 C ATOM 1255 CG ASP A 83 -12.857 -4.791 -4.561 1.00 10.00 C ATOM 1256 OD1 ASP A 83 -13.269 -3.626 -4.740 1.00 10.00 O ATOM 1257 OD2 ASP A 83 -12.408 -5.242 -3.490 1.00 10.00 O ATOM 0 H ASP A 83 -13.096 -6.894 -7.878 1.00 10.00 H new ATOM 0 HA ASP A 83 -14.681 -6.750 -5.507 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -12.245 -6.627 -5.491 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -12.257 -5.247 -6.571 1.00 10.00 H new ATOM 1262 N ARG A 84 -14.730 -4.117 -7.505 1.00 10.00 N ATOM 1263 CA ARG A 84 -15.414 -2.877 -7.858 1.00 10.00 C ATOM 1264 C ARG A 84 -16.884 -3.104 -8.227 1.00 10.00 C ATOM 1265 O ARG A 84 -17.202 -4.205 -8.724 1.00 10.00 O ATOM 1266 CB ARG A 84 -14.703 -2.212 -9.046 1.00 10.00 C ATOM 1267 CG ARG A 84 -13.684 -1.159 -8.603 1.00 10.00 C ATOM 1268 CD ARG A 84 -12.807 -0.757 -9.793 1.00 10.00 C ATOM 1269 NE ARG A 84 -11.946 -1.873 -10.230 1.00 10.00 N ATOM 1270 CZ ARG A 84 -11.345 -1.959 -11.429 1.00 10.00 C ATOM 1271 NH1 ARG A 84 -11.507 -0.985 -12.330 1.00 10.00 N ATOM 1272 NH2 ARG A 84 -10.580 -3.010 -11.731 1.00 10.00 N ATOM 0 H ARG A 84 -13.936 -4.324 -8.111 1.00 10.00 H new ATOM 0 HA ARG A 84 -15.383 -2.234 -6.978 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -14.198 -2.976 -9.637 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -15.445 -1.745 -9.695 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -14.199 -0.284 -8.207 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -13.064 -1.555 -7.799 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -13.439 -0.438 -10.621 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -12.187 0.096 -9.518 1.00 10.00 H new ATOM 0 HE ARG A 84 -11.796 -2.638 -9.572 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -12.087 -0.176 -12.108 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -11.051 -1.051 -13.240 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -10.447 -3.757 -11.049 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -10.128 -3.066 -12.644 1.00 10.00 H new TER 1286 ARG A 84 HETATM 1287 FE HEM A 201 2.866 7.500 2.980 1.00 10.00 FE HETATM 1288 CHA HEM A 201 4.064 10.405 4.423 1.00 10.00 C HETATM 1289 CHB HEM A 201 5.154 7.769 0.387 1.00 10.00 C HETATM 1290 CHC HEM A 201 1.541 4.610 1.512 1.00 10.00 C HETATM 1291 CHD HEM A 201 0.615 7.132 5.635 1.00 10.00 C HETATM 1292 NA HEM A 201 4.348 8.829 2.501 1.00 10.00 N HETATM 1293 C1A HEM A 201 4.622 9.968 3.206 1.00 10.00 C HETATM 1294 C2A HEM A 201 5.590 10.718 2.436 1.00 10.00 C HETATM 1295 C3A HEM A 201 5.973 9.930 1.369 1.00 10.00 C HETATM 1296 C4A HEM A 201 5.138 8.754 1.383 1.00 10.00 C HETATM 1297 CMA HEM A 201 7.033 10.232 0.333 1.00 10.00 C HETATM 1298 CAA HEM A 201 5.983 12.155 2.710 1.00 10.00 C HETATM 1299 CBA HEM A 201 4.809 13.151 2.629 1.00 10.00 C HETATM 1300 CGA HEM A 201 4.585 13.759 1.240 1.00 10.00 C HETATM 1301 O1A HEM A 201 4.238 13.004 0.304 1.00 10.00 O HETATM 1302 O2A HEM A 201 4.737 14.994 1.134 1.00 10.00 O HETATM 1303 NB HEM A 201 3.292 6.376 1.287 1.00 10.00 N HETATM 1304 C1B HEM A 201 4.271 6.686 0.367 1.00 10.00 C HETATM 1305 C2B HEM A 201 4.220 5.692 -0.683 1.00 10.00 C HETATM 1306 C3B HEM A 201 3.196 4.840 -0.354 1.00 10.00 C HETATM 1307 C4B HEM A 201 2.612 5.252 0.894 1.00 10.00 C HETATM 1308 CMB HEM A 201 5.091 5.626 -1.914 1.00 10.00 C HETATM 1309 CAB HEM A 201 2.642 3.753 -1.246 1.00 10.00 C HETATM 1310 CBB HEM A 201 1.694 4.009 -2.160 1.00 10.00 C HETATM 1311 NC HEM A 201 1.348 6.139 3.470 1.00 10.00 N HETATM 1312 C1C HEM A 201 0.982 5.053 2.709 1.00 10.00 C HETATM 1313 C2C HEM A 201 -0.139 4.420 3.359 1.00 10.00 C HETATM 1314 C3C HEM A 201 -0.381 5.140 4.498 1.00 10.00 C HETATM 1315 C4C HEM A 201 0.563 6.218 4.589 1.00 10.00 C HETATM 1316 CMC HEM A 201 -0.901 3.220 2.873 1.00 10.00 C HETATM 1317 CAC HEM A 201 -1.547 4.929 5.431 1.00 10.00 C HETATM 1318 CBC HEM A 201 -1.575 3.838 6.222 1.00 10.00 C HETATM 1319 ND HEM A 201 2.421 8.577 4.725 1.00 10.00 N HETATM 1320 C1D HEM A 201 1.506 8.201 5.664 1.00 10.00 C HETATM 1321 C2D HEM A 201 1.646 9.090 6.786 1.00 10.00 C HETATM 1322 C3D HEM A 201 2.588 10.033 6.447 1.00 10.00 C HETATM 1323 C4D HEM A 201 3.079 9.699 5.125 1.00 10.00 C HETATM 1324 CMD HEM A 201 0.964 8.924 8.123 1.00 10.00 C HETATM 1325 CAD HEM A 201 3.089 11.125 7.362 1.00 10.00 C HETATM 1326 CBD HEM A 201 2.222 12.380 7.354 1.00 10.00 C HETATM 1327 CGD HEM A 201 2.844 13.458 6.482 1.00 10.00 C HETATM 1328 O1D HEM A 201 2.301 13.689 5.383 1.00 10.00 O HETATM 1329 O2D HEM A 201 3.874 14.008 6.926 1.00 10.00 O HETATM 0 HMA1 HEM A 201 7.446 9.298 -0.048 1.00 10.00 H new HETATM 0 HMA2 HEM A 201 7.829 10.822 0.788 1.00 10.00 H new HETATM 0 HMA3 HEM A 201 6.589 10.794 -0.489 1.00 10.00 H new HETATM 0 HMB1 HEM A 201 5.387 6.634 -2.205 1.00 10.00 H new HETATM 0 HMB2 HEM A 201 4.535 5.162 -2.729 1.00 10.00 H new HETATM 0 HMB3 HEM A 201 5.981 5.034 -1.699 1.00 10.00 H new HETATM 0 HMC1 HEM A 201 -0.881 3.193 1.784 1.00 10.00 H new HETATM 0 HMC2 HEM A 201 -1.934 3.281 3.216 1.00 10.00 H new HETATM 0 HMC3 HEM A 201 -0.441 2.313 3.266 1.00 10.00 H new HETATM 0 HMD1 HEM A 201 0.009 8.416 7.984 1.00 10.00 H new HETATM 0 HMD2 HEM A 201 0.792 9.904 8.568 1.00 10.00 H new HETATM 0 HMD3 HEM A 201 1.597 8.332 8.783 1.00 10.00 H new HETATM 0 HBB1 HEM A 201 1.313 3.205 -2.790 1.00 10.00 H new HETATM 0 HBB2 HEM A 201 1.305 5.021 -2.273 1.00 10.00 H new HETATM 0 HBC1 HEM A 201 -2.414 3.677 6.899 1.00 10.00 H new HETATM 0 HBC2 HEM A 201 -0.759 3.116 6.184 1.00 10.00 H new HETATM 0 HBA1 HEM A 201 4.984 13.958 3.341 1.00 10.00 H new HETATM 0 HBA2 HEM A 201 3.896 12.643 2.941 1.00 10.00 H new HETATM 0 HAA1 HEM A 201 6.750 12.454 1.996 1.00 10.00 H new HETATM 0 HAA2 HEM A 201 6.430 12.216 3.702 1.00 10.00 H new HETATM 0 HBD1 HEM A 201 2.103 12.752 8.372 1.00 10.00 H new HETATM 0 HBD2 HEM A 201 1.226 12.137 6.985 1.00 10.00 H new HETATM 0 HAD1 HEM A 201 4.104 11.394 7.070 1.00 10.00 H new HETATM 0 HAD2 HEM A 201 3.142 10.738 8.380 1.00 10.00 H new HETATM 0 HHA HEM A 201 4.416 11.338 4.839 1.00 10.00 H new HETATM 0 HHB HEM A 201 5.885 7.851 -0.404 1.00 10.00 H new HETATM 0 HHC HEM A 201 1.126 3.730 1.043 1.00 10.00 H new HETATM 0 HHD HEM A 201 -0.067 7.007 6.463 1.00 10.00 H new HETATM 0 HAB HEM A 201 3.022 2.736 -1.144 1.00 10.00 H new HETATM 0 HAC HEM A 201 -2.361 5.653 5.465 1.00 10.00 H new