USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 784 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 THR OG1 : rot 180:sc= -0.254 USER MOD Set 1.2: A 82 HIS : no HD1:sc= -0.347 X(o=-0.6,f=-0.48) USER MOD Set 2.1: A 39 LYS NZ :NH3+ -163:sc= 2.4 (180deg=0.469) USER MOD Set 2.2: A 88 TYR OH : rot 57:sc= 1.06 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 177:sc= -0.0122 (180deg=-0.0366) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0512 USER MOD Single : A 18 ASN : amide:sc= 0.171 K(o=0.17,f=-6.6!) USER MOD Single : A 20 TYR OH : rot -147:sc= -0.641! USER MOD Single : A 25 MET CE :methyl 138:sc= -6.22! (180deg=-8.87!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -168:sc= 1.2 (180deg=1.08) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0387 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot -146:sc= 1.2 USER MOD Single : A 38 THR OG1 : rot 180:sc=-0.000828 USER MOD Single : A 42 THR OG1 : rot -59:sc= 1.33 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -140:sc= 0 USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 143:sc= 1.21 USER MOD Single : A 60 LYS NZ :NH3+ 166:sc= 0.85 (180deg=0.631) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0385) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0895 USER MOD Single : A 74 SER OG : rot 38:sc= 0.198 USER MOD Single : A 76 GLN : amide:sc= -0.397 K(o=-0.4,f=-1.5!) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 80 LYS NZ :NH3+ -140:sc= 0.881 (180deg=0.136) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0649) USER MOD Single : A 90 LYS NZ :NH3+ -179:sc= -2.45! (180deg=-2.73!) USER MOD Single : A 91 LYS NZ :NH3+ -176:sc= 1.2 (180deg=1.14) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.0071) USER MOD Single : A 95 HIS : no HE2:sc= 1.08 K(o=1.1,f=-3.8!) USER MOD Single : A 96 HIS : no HE2:sc= 0.352 K(o=0.35,f=-4.5!) USER MOD Single : A 97 HIS : no HD1:sc= -0.468 K(o=-0.47,f=-2) USER MOD Single : A 98 HIS : no HD1:sc= 0.838 K(o=0.84,f=-4.1!) USER MOD Single : A 99 HIS : no HD1:sc= -0.045 X(o=-0.045,f=-0.032) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 41.181 -29.654 -23.932 1.00 0.00 N ATOM 2 CA MET A 1 39.962 -30.264 -24.510 1.00 0.00 C ATOM 3 C MET A 1 39.544 -31.493 -23.707 1.00 0.00 C ATOM 4 O MET A 1 40.301 -32.455 -23.576 1.00 0.00 O ATOM 5 CB MET A 1 40.166 -30.623 -25.990 1.00 0.00 C ATOM 6 CG MET A 1 41.327 -31.568 -26.264 1.00 0.00 C ATOM 7 SD MET A 1 41.500 -31.948 -28.018 1.00 0.00 S ATOM 8 CE MET A 1 42.896 -33.066 -27.991 1.00 0.00 C ATOM 0 H1 MET A 1 41.479 -28.850 -24.520 1.00 0.00 H new ATOM 0 H2 MET A 1 40.979 -29.321 -22.968 1.00 0.00 H new ATOM 0 H3 MET A 1 41.942 -30.362 -23.901 1.00 0.00 H new ATOM 0 HA MET A 1 39.160 -29.528 -24.455 1.00 0.00 H new ATOM 0 HB2 MET A 1 39.250 -31.076 -26.369 1.00 0.00 H new ATOM 0 HB3 MET A 1 40.324 -29.704 -26.554 1.00 0.00 H new ATOM 0 HG2 MET A 1 42.251 -31.120 -25.899 1.00 0.00 H new ATOM 0 HG3 MET A 1 41.179 -32.493 -25.707 1.00 0.00 H new ATOM 0 HE1 MET A 1 43.124 -33.388 -29.007 1.00 0.00 H new ATOM 0 HE2 MET A 1 43.762 -32.556 -27.569 1.00 0.00 H new ATOM 0 HE3 MET A 1 42.654 -33.936 -27.380 1.00 0.00 H new ATOM 17 N LYS A 2 38.346 -31.443 -23.152 1.00 0.00 N ATOM 18 CA LYS A 2 37.806 -32.547 -22.378 1.00 0.00 C ATOM 19 C LYS A 2 36.285 -32.489 -22.386 1.00 0.00 C ATOM 20 O LYS A 2 35.683 -31.648 -21.715 1.00 0.00 O ATOM 21 CB LYS A 2 38.319 -32.508 -20.932 1.00 0.00 C ATOM 22 CG LYS A 2 37.762 -33.629 -20.066 1.00 0.00 C ATOM 23 CD LYS A 2 38.126 -33.454 -18.599 1.00 0.00 C ATOM 24 CE LYS A 2 39.622 -33.578 -18.364 1.00 0.00 C ATOM 25 NZ LYS A 2 39.956 -33.559 -16.913 1.00 0.00 N ATOM 0 H LYS A 2 37.722 -30.639 -23.225 1.00 0.00 H new ATOM 0 HA LYS A 2 38.138 -33.479 -22.835 1.00 0.00 H new ATOM 0 HB2 LYS A 2 39.407 -32.569 -20.938 1.00 0.00 H new ATOM 0 HB3 LYS A 2 38.056 -31.549 -20.486 1.00 0.00 H new ATOM 0 HG2 LYS A 2 36.677 -33.661 -20.169 1.00 0.00 H new ATOM 0 HG3 LYS A 2 38.144 -34.586 -20.422 1.00 0.00 H new ATOM 0 HD2 LYS A 2 37.785 -32.478 -18.255 1.00 0.00 H new ATOM 0 HD3 LYS A 2 37.602 -34.202 -18.004 1.00 0.00 H new ATOM 0 HE2 LYS A 2 39.984 -34.505 -18.809 1.00 0.00 H new ATOM 0 HE3 LYS A 2 40.138 -32.760 -18.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 40.985 -33.646 -16.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 39.633 -32.664 -16.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 39.484 -34.354 -16.438 1.00 0.00 H new ATOM 39 N THR A 3 35.666 -33.361 -23.158 1.00 0.00 N ATOM 40 CA THR A 3 34.219 -33.431 -23.196 1.00 0.00 C ATOM 41 C THR A 3 33.734 -34.659 -22.437 1.00 0.00 C ATOM 42 O THR A 3 33.873 -35.791 -22.906 1.00 0.00 O ATOM 43 CB THR A 3 33.692 -33.464 -24.641 1.00 0.00 C ATOM 44 OG1 THR A 3 34.257 -32.377 -25.386 1.00 0.00 O ATOM 45 CG2 THR A 3 32.174 -33.357 -24.669 1.00 0.00 C ATOM 0 H THR A 3 36.141 -34.029 -23.765 1.00 0.00 H new ATOM 0 HA THR A 3 33.830 -32.532 -22.718 1.00 0.00 H new ATOM 0 HB THR A 3 33.983 -34.414 -25.089 1.00 0.00 H new ATOM 0 HG1 THR A 3 33.921 -32.402 -26.306 1.00 0.00 H new ATOM 0 HG21 THR A 3 31.826 -33.383 -25.702 1.00 0.00 H new ATOM 0 HG22 THR A 3 31.740 -34.192 -24.119 1.00 0.00 H new ATOM 0 HG23 THR A 3 31.867 -32.419 -24.206 1.00 0.00 H new ATOM 53 N GLY A 4 33.196 -34.421 -21.253 1.00 0.00 N ATOM 54 CA GLY A 4 32.708 -35.496 -20.416 1.00 0.00 C ATOM 55 C GLY A 4 32.451 -35.032 -18.994 1.00 0.00 C ATOM 56 O GLY A 4 32.409 -35.842 -18.069 1.00 0.00 O ATOM 0 H GLY A 4 33.087 -33.490 -20.852 1.00 0.00 H new ATOM 0 HA2 GLY A 4 31.787 -35.897 -20.839 1.00 0.00 H new ATOM 0 HA3 GLY A 4 33.435 -36.308 -20.407 1.00 0.00 H new ATOM 60 N TYR A 5 32.296 -33.722 -18.822 1.00 0.00 N ATOM 61 CA TYR A 5 31.986 -33.140 -17.522 1.00 0.00 C ATOM 62 C TYR A 5 30.588 -33.572 -17.095 1.00 0.00 C ATOM 63 O TYR A 5 29.583 -33.005 -17.537 1.00 0.00 O ATOM 64 CB TYR A 5 32.083 -31.613 -17.600 1.00 0.00 C ATOM 65 CG TYR A 5 32.023 -30.904 -16.265 1.00 0.00 C ATOM 66 CD1 TYR A 5 33.174 -30.702 -15.516 1.00 0.00 C ATOM 67 CD2 TYR A 5 30.820 -30.413 -15.768 1.00 0.00 C ATOM 68 CE1 TYR A 5 33.128 -30.042 -14.305 1.00 0.00 C ATOM 69 CE2 TYR A 5 30.766 -29.755 -14.557 1.00 0.00 C ATOM 70 CZ TYR A 5 31.922 -29.568 -13.832 1.00 0.00 C ATOM 71 OH TYR A 5 31.873 -28.903 -12.628 1.00 0.00 O ATOM 0 H TYR A 5 32.381 -33.039 -19.575 1.00 0.00 H new ATOM 0 HA TYR A 5 32.704 -33.491 -16.781 1.00 0.00 H new ATOM 0 HB2 TYR A 5 33.017 -31.347 -18.095 1.00 0.00 H new ATOM 0 HB3 TYR A 5 31.273 -31.243 -18.229 1.00 0.00 H new ATOM 0 HD1 TYR A 5 34.120 -31.067 -15.887 1.00 0.00 H new ATOM 0 HD2 TYR A 5 29.914 -30.549 -16.340 1.00 0.00 H new ATOM 0 HE1 TYR A 5 34.031 -29.897 -13.731 1.00 0.00 H new ATOM 0 HE2 TYR A 5 29.823 -29.389 -14.179 1.00 0.00 H new ATOM 0 HH TYR A 5 30.950 -28.634 -12.440 1.00 0.00 H new ATOM 81 N LYS A 6 30.534 -34.595 -16.264 1.00 0.00 N ATOM 82 CA LYS A 6 29.279 -35.221 -15.890 1.00 0.00 C ATOM 83 C LYS A 6 28.902 -34.891 -14.453 1.00 0.00 C ATOM 84 O LYS A 6 29.639 -35.203 -13.516 1.00 0.00 O ATOM 85 CB LYS A 6 29.385 -36.737 -16.089 1.00 0.00 C ATOM 86 CG LYS A 6 30.622 -37.351 -15.444 1.00 0.00 C ATOM 87 CD LYS A 6 30.806 -38.807 -15.840 1.00 0.00 C ATOM 88 CE LYS A 6 29.690 -39.690 -15.309 1.00 0.00 C ATOM 89 NZ LYS A 6 29.881 -41.112 -15.698 1.00 0.00 N ATOM 0 H LYS A 6 31.356 -35.015 -15.830 1.00 0.00 H new ATOM 0 HA LYS A 6 28.489 -34.829 -16.531 1.00 0.00 H new ATOM 0 HB2 LYS A 6 28.496 -37.213 -15.675 1.00 0.00 H new ATOM 0 HB3 LYS A 6 29.396 -36.955 -17.157 1.00 0.00 H new ATOM 0 HG2 LYS A 6 31.504 -36.781 -15.736 1.00 0.00 H new ATOM 0 HG3 LYS A 6 30.540 -37.278 -14.360 1.00 0.00 H new ATOM 0 HD2 LYS A 6 30.843 -38.885 -16.927 1.00 0.00 H new ATOM 0 HD3 LYS A 6 31.763 -39.167 -15.462 1.00 0.00 H new ATOM 0 HE2 LYS A 6 29.650 -39.612 -14.223 1.00 0.00 H new ATOM 0 HE3 LYS A 6 28.732 -39.334 -15.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 29.100 -41.684 -15.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 29.894 -41.190 -16.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 30.783 -41.459 -15.314 1.00 0.00 H new ATOM 103 N VAL A 7 27.759 -34.242 -14.289 1.00 0.00 N ATOM 104 CA VAL A 7 27.234 -33.944 -12.968 1.00 0.00 C ATOM 105 C VAL A 7 25.740 -33.629 -13.039 1.00 0.00 C ATOM 106 O VAL A 7 25.311 -32.707 -13.737 1.00 0.00 O ATOM 107 CB VAL A 7 28.002 -32.778 -12.288 1.00 0.00 C ATOM 108 CG1 VAL A 7 27.976 -31.517 -13.142 1.00 0.00 C ATOM 109 CG2 VAL A 7 27.443 -32.499 -10.899 1.00 0.00 C ATOM 0 H VAL A 7 27.177 -33.911 -15.058 1.00 0.00 H new ATOM 0 HA VAL A 7 27.378 -34.834 -12.355 1.00 0.00 H new ATOM 0 HB VAL A 7 29.042 -33.086 -12.186 1.00 0.00 H new ATOM 0 HG11 VAL A 7 28.523 -30.723 -12.634 1.00 0.00 H new ATOM 0 HG12 VAL A 7 28.443 -31.721 -14.106 1.00 0.00 H new ATOM 0 HG13 VAL A 7 26.944 -31.204 -13.298 1.00 0.00 H new ATOM 0 HG21 VAL A 7 27.996 -31.679 -10.442 1.00 0.00 H new ATOM 0 HG22 VAL A 7 26.390 -32.227 -10.978 1.00 0.00 H new ATOM 0 HG23 VAL A 7 27.541 -33.392 -10.281 1.00 0.00 H new ATOM 119 N MET A 8 24.944 -34.425 -12.346 1.00 0.00 N ATOM 120 CA MET A 8 23.509 -34.208 -12.296 1.00 0.00 C ATOM 121 C MET A 8 23.018 -34.204 -10.850 1.00 0.00 C ATOM 122 O MET A 8 22.778 -35.252 -10.249 1.00 0.00 O ATOM 123 CB MET A 8 22.755 -35.255 -13.141 1.00 0.00 C ATOM 124 CG MET A 8 22.995 -36.712 -12.744 1.00 0.00 C ATOM 125 SD MET A 8 24.673 -37.285 -13.084 1.00 0.00 S ATOM 126 CE MET A 8 24.563 -38.982 -12.524 1.00 0.00 C ATOM 0 H MET A 8 25.268 -35.229 -11.809 1.00 0.00 H new ATOM 0 HA MET A 8 23.298 -33.230 -12.728 1.00 0.00 H new ATOM 0 HB2 MET A 8 21.687 -35.049 -13.075 1.00 0.00 H new ATOM 0 HB3 MET A 8 23.041 -35.129 -14.185 1.00 0.00 H new ATOM 0 HG2 MET A 8 22.788 -36.829 -11.680 1.00 0.00 H new ATOM 0 HG3 MET A 8 22.288 -37.347 -13.278 1.00 0.00 H new ATOM 0 HE1 MET A 8 25.524 -39.476 -12.668 1.00 0.00 H new ATOM 0 HE2 MET A 8 24.300 -39.000 -11.466 1.00 0.00 H new ATOM 0 HE3 MET A 8 23.797 -39.505 -13.097 1.00 0.00 H new ATOM 136 N LEU A 9 22.910 -33.014 -10.278 1.00 0.00 N ATOM 137 CA LEU A 9 22.416 -32.865 -8.918 1.00 0.00 C ATOM 138 C LEU A 9 21.393 -31.743 -8.846 1.00 0.00 C ATOM 139 O LEU A 9 21.381 -30.845 -9.692 1.00 0.00 O ATOM 140 CB LEU A 9 23.578 -32.621 -7.937 1.00 0.00 C ATOM 141 CG LEU A 9 24.559 -31.497 -8.305 1.00 0.00 C ATOM 142 CD1 LEU A 9 23.985 -30.121 -7.989 1.00 0.00 C ATOM 143 CD2 LEU A 9 25.875 -31.698 -7.580 1.00 0.00 C ATOM 0 H LEU A 9 23.158 -32.137 -10.735 1.00 0.00 H new ATOM 0 HA LEU A 9 21.924 -33.793 -8.625 1.00 0.00 H new ATOM 0 HB2 LEU A 9 23.156 -32.399 -6.957 1.00 0.00 H new ATOM 0 HB3 LEU A 9 24.142 -33.548 -7.839 1.00 0.00 H new ATOM 0 HG LEU A 9 24.730 -31.542 -9.381 1.00 0.00 H new ATOM 0 HD11 LEU A 9 24.708 -29.353 -8.263 1.00 0.00 H new ATOM 0 HD12 LEU A 9 23.065 -29.972 -8.555 1.00 0.00 H new ATOM 0 HD13 LEU A 9 23.770 -30.053 -6.923 1.00 0.00 H new ATOM 0 HD21 LEU A 9 26.564 -30.897 -7.847 1.00 0.00 H new ATOM 0 HD22 LEU A 9 25.703 -31.685 -6.504 1.00 0.00 H new ATOM 0 HD23 LEU A 9 26.306 -32.657 -7.867 1.00 0.00 H new ATOM 155 N GLY A 10 20.532 -31.802 -7.846 1.00 0.00 N ATOM 156 CA GLY A 10 19.513 -30.790 -7.679 1.00 0.00 C ATOM 157 C GLY A 10 18.355 -31.301 -6.854 1.00 0.00 C ATOM 158 O GLY A 10 17.480 -32.001 -7.366 1.00 0.00 O ATOM 0 H GLY A 10 20.520 -32.539 -7.141 1.00 0.00 H new ATOM 0 HA2 GLY A 10 19.945 -29.913 -7.197 1.00 0.00 H new ATOM 0 HA3 GLY A 10 19.152 -30.471 -8.657 1.00 0.00 H new ATOM 162 N ALA A 11 18.353 -30.969 -5.574 1.00 0.00 N ATOM 163 CA ALA A 11 17.319 -31.439 -4.667 1.00 0.00 C ATOM 164 C ALA A 11 17.021 -30.390 -3.610 1.00 0.00 C ATOM 165 O ALA A 11 17.840 -30.136 -2.723 1.00 0.00 O ATOM 166 CB ALA A 11 17.732 -32.752 -4.013 1.00 0.00 C ATOM 0 H ALA A 11 19.058 -30.374 -5.138 1.00 0.00 H new ATOM 0 HA ALA A 11 16.412 -31.615 -5.245 1.00 0.00 H new ATOM 0 HB1 ALA A 11 16.944 -33.086 -3.338 1.00 0.00 H new ATOM 0 HB2 ALA A 11 17.895 -33.507 -4.783 1.00 0.00 H new ATOM 0 HB3 ALA A 11 18.653 -32.604 -3.450 1.00 0.00 H new ATOM 172 N LEU A 12 15.857 -29.772 -3.719 1.00 0.00 N ATOM 173 CA LEU A 12 15.438 -28.761 -2.764 1.00 0.00 C ATOM 174 C LEU A 12 13.922 -28.615 -2.776 1.00 0.00 C ATOM 175 O LEU A 12 13.301 -28.524 -3.836 1.00 0.00 O ATOM 176 CB LEU A 12 16.123 -27.417 -3.061 1.00 0.00 C ATOM 177 CG LEU A 12 15.840 -26.809 -4.439 1.00 0.00 C ATOM 178 CD1 LEU A 12 14.755 -25.747 -4.352 1.00 0.00 C ATOM 179 CD2 LEU A 12 17.110 -26.223 -5.027 1.00 0.00 C ATOM 0 H LEU A 12 15.183 -29.954 -4.463 1.00 0.00 H new ATOM 0 HA LEU A 12 15.742 -29.079 -1.767 1.00 0.00 H new ATOM 0 HB2 LEU A 12 15.817 -26.700 -2.300 1.00 0.00 H new ATOM 0 HB3 LEU A 12 17.200 -27.550 -2.959 1.00 0.00 H new ATOM 0 HG LEU A 12 15.484 -27.603 -5.096 1.00 0.00 H new ATOM 0 HD11 LEU A 12 14.573 -25.331 -5.343 1.00 0.00 H new ATOM 0 HD12 LEU A 12 13.837 -26.195 -3.972 1.00 0.00 H new ATOM 0 HD13 LEU A 12 15.077 -24.953 -3.679 1.00 0.00 H new ATOM 0 HD21 LEU A 12 16.894 -25.795 -6.006 1.00 0.00 H new ATOM 0 HD22 LEU A 12 17.491 -25.444 -4.366 1.00 0.00 H new ATOM 0 HD23 LEU A 12 17.859 -27.008 -5.132 1.00 0.00 H new ATOM 191 N ALA A 13 13.333 -28.631 -1.593 1.00 0.00 N ATOM 192 CA ALA A 13 11.903 -28.430 -1.447 1.00 0.00 C ATOM 193 C ALA A 13 11.600 -27.804 -0.094 1.00 0.00 C ATOM 194 O ALA A 13 11.269 -28.497 0.870 1.00 0.00 O ATOM 195 CB ALA A 13 11.157 -29.745 -1.617 1.00 0.00 C ATOM 0 H ALA A 13 13.828 -28.782 -0.714 1.00 0.00 H new ATOM 0 HA ALA A 13 11.562 -27.749 -2.227 1.00 0.00 H new ATOM 0 HB1 ALA A 13 10.087 -29.573 -1.504 1.00 0.00 H new ATOM 0 HB2 ALA A 13 11.357 -30.151 -2.609 1.00 0.00 H new ATOM 0 HB3 ALA A 13 11.493 -30.454 -0.860 1.00 0.00 H new ATOM 201 N PHE A 14 11.758 -26.496 -0.015 1.00 0.00 N ATOM 202 CA PHE A 14 11.543 -25.781 1.227 1.00 0.00 C ATOM 203 C PHE A 14 10.594 -24.614 1.008 1.00 0.00 C ATOM 204 O PHE A 14 10.960 -23.609 0.402 1.00 0.00 O ATOM 205 CB PHE A 14 12.876 -25.279 1.796 1.00 0.00 C ATOM 206 CG PHE A 14 13.870 -26.372 2.076 1.00 0.00 C ATOM 207 CD1 PHE A 14 13.797 -27.107 3.248 1.00 0.00 C ATOM 208 CD2 PHE A 14 14.872 -26.671 1.163 1.00 0.00 C ATOM 209 CE1 PHE A 14 14.707 -28.114 3.509 1.00 0.00 C ATOM 210 CE2 PHE A 14 15.784 -27.678 1.418 1.00 0.00 C ATOM 211 CZ PHE A 14 15.700 -28.403 2.591 1.00 0.00 C ATOM 0 H PHE A 14 12.035 -25.906 -0.800 1.00 0.00 H new ATOM 0 HA PHE A 14 11.095 -26.467 1.946 1.00 0.00 H new ATOM 0 HB2 PHE A 14 13.317 -24.572 1.093 1.00 0.00 H new ATOM 0 HB3 PHE A 14 12.683 -24.732 2.719 1.00 0.00 H new ATOM 0 HD1 PHE A 14 13.020 -26.891 3.966 1.00 0.00 H new ATOM 0 HD2 PHE A 14 14.940 -26.110 0.243 1.00 0.00 H new ATOM 0 HE1 PHE A 14 14.643 -28.675 4.430 1.00 0.00 H new ATOM 0 HE2 PHE A 14 16.561 -27.898 0.701 1.00 0.00 H new ATOM 0 HZ PHE A 14 16.408 -29.194 2.791 1.00 0.00 H new ATOM 221 N VAL A 15 9.371 -24.763 1.483 1.00 0.00 N ATOM 222 CA VAL A 15 8.376 -23.710 1.372 1.00 0.00 C ATOM 223 C VAL A 15 8.241 -23.010 2.713 1.00 0.00 C ATOM 224 O VAL A 15 7.515 -23.473 3.596 1.00 0.00 O ATOM 225 CB VAL A 15 7.003 -24.265 0.931 1.00 0.00 C ATOM 226 CG1 VAL A 15 6.012 -23.132 0.704 1.00 0.00 C ATOM 227 CG2 VAL A 15 7.148 -25.116 -0.326 1.00 0.00 C ATOM 0 H VAL A 15 9.041 -25.607 1.952 1.00 0.00 H new ATOM 0 HA VAL A 15 8.707 -23.005 0.609 1.00 0.00 H new ATOM 0 HB VAL A 15 6.617 -24.898 1.730 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.052 -23.545 0.394 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.884 -22.570 1.629 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.390 -22.469 -0.074 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.171 -25.498 -0.621 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.558 -24.508 -1.132 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.818 -25.951 -0.124 1.00 0.00 H new ATOM 237 N VAL A 16 8.972 -21.919 2.876 1.00 0.00 N ATOM 238 CA VAL A 16 8.993 -21.199 4.139 1.00 0.00 C ATOM 239 C VAL A 16 8.579 -19.750 3.935 1.00 0.00 C ATOM 240 O VAL A 16 9.325 -18.955 3.363 1.00 0.00 O ATOM 241 CB VAL A 16 10.390 -21.239 4.802 1.00 0.00 C ATOM 242 CG1 VAL A 16 10.377 -20.523 6.145 1.00 0.00 C ATOM 243 CG2 VAL A 16 10.868 -22.672 4.969 1.00 0.00 C ATOM 0 H VAL A 16 9.560 -21.512 2.148 1.00 0.00 H new ATOM 0 HA VAL A 16 8.283 -21.696 4.800 1.00 0.00 H new ATOM 0 HB VAL A 16 11.086 -20.718 4.145 1.00 0.00 H new ATOM 0 HG11 VAL A 16 11.371 -20.566 6.590 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.089 -19.482 5.999 1.00 0.00 H new ATOM 0 HG13 VAL A 16 9.661 -21.008 6.809 1.00 0.00 H new ATOM 0 HG21 VAL A 16 11.852 -22.675 5.437 1.00 0.00 H new ATOM 0 HG22 VAL A 16 10.165 -23.219 5.598 1.00 0.00 H new ATOM 0 HG23 VAL A 16 10.930 -23.151 3.992 1.00 0.00 H new ATOM 253 N THR A 17 7.375 -19.423 4.369 1.00 0.00 N ATOM 254 CA THR A 17 6.884 -18.057 4.325 1.00 0.00 C ATOM 255 C THR A 17 5.932 -17.826 5.495 1.00 0.00 C ATOM 256 O THR A 17 4.733 -18.082 5.400 1.00 0.00 O ATOM 257 CB THR A 17 6.171 -17.757 2.990 1.00 0.00 C ATOM 258 OG1 THR A 17 6.999 -18.163 1.890 1.00 0.00 O ATOM 259 CG2 THR A 17 5.860 -16.275 2.854 1.00 0.00 C ATOM 0 H THR A 17 6.713 -20.093 4.760 1.00 0.00 H new ATOM 0 HA THR A 17 7.735 -17.380 4.403 1.00 0.00 H new ATOM 0 HB THR A 17 5.235 -18.315 2.979 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.539 -17.971 1.046 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.358 -16.094 1.904 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.211 -15.963 3.672 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.788 -15.704 2.888 1.00 0.00 H new ATOM 267 N ASN A 18 6.489 -17.363 6.608 1.00 0.00 N ATOM 268 CA ASN A 18 5.735 -17.229 7.849 1.00 0.00 C ATOM 269 C ASN A 18 4.813 -16.013 7.821 1.00 0.00 C ATOM 270 O ASN A 18 3.631 -16.118 8.143 1.00 0.00 O ATOM 271 CB ASN A 18 6.679 -17.160 9.062 1.00 0.00 C ATOM 272 CG ASN A 18 7.674 -16.009 9.003 1.00 0.00 C ATOM 273 OD1 ASN A 18 8.110 -15.594 7.927 1.00 0.00 O ATOM 274 ND2 ASN A 18 8.030 -15.481 10.165 1.00 0.00 N ATOM 0 H ASN A 18 7.464 -17.073 6.676 1.00 0.00 H new ATOM 0 HA ASN A 18 5.111 -18.118 7.945 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.083 -17.066 9.970 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.228 -18.099 9.137 1.00 0.00 H new ATOM 0 HD21 ASN A 18 8.688 -14.702 10.191 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.646 -15.854 11.033 1.00 0.00 H new ATOM 281 N VAL A 19 5.342 -14.869 7.424 1.00 0.00 N ATOM 282 CA VAL A 19 4.550 -13.652 7.363 1.00 0.00 C ATOM 283 C VAL A 19 4.670 -13.007 5.988 1.00 0.00 C ATOM 284 O VAL A 19 5.766 -12.906 5.432 1.00 0.00 O ATOM 285 CB VAL A 19 4.957 -12.646 8.472 1.00 0.00 C ATOM 286 CG1 VAL A 19 6.449 -12.352 8.429 1.00 0.00 C ATOM 287 CG2 VAL A 19 4.146 -11.360 8.364 1.00 0.00 C ATOM 0 H VAL A 19 6.315 -14.757 7.139 1.00 0.00 H new ATOM 0 HA VAL A 19 3.509 -13.927 7.534 1.00 0.00 H new ATOM 0 HB VAL A 19 4.736 -13.106 9.435 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.703 -11.644 9.218 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.006 -13.277 8.578 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.708 -11.924 7.460 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.450 -10.671 9.152 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.322 -10.899 7.392 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.086 -11.589 8.471 1.00 0.00 H new ATOM 297 N TYR A 20 3.536 -12.597 5.445 1.00 0.00 N ATOM 298 CA TYR A 20 3.483 -11.964 4.134 1.00 0.00 C ATOM 299 C TYR A 20 2.662 -10.679 4.219 1.00 0.00 C ATOM 300 O TYR A 20 1.428 -10.719 4.211 1.00 0.00 O ATOM 301 CB TYR A 20 2.872 -12.931 3.114 1.00 0.00 C ATOM 302 CG TYR A 20 2.834 -12.406 1.696 1.00 0.00 C ATOM 303 CD1 TYR A 20 3.968 -12.423 0.895 1.00 0.00 C ATOM 304 CD2 TYR A 20 1.654 -11.915 1.154 1.00 0.00 C ATOM 305 CE1 TYR A 20 3.928 -11.965 -0.407 1.00 0.00 C ATOM 306 CE2 TYR A 20 1.606 -11.450 -0.148 1.00 0.00 C ATOM 307 CZ TYR A 20 2.747 -11.480 -0.925 1.00 0.00 C ATOM 308 OH TYR A 20 2.703 -11.035 -2.228 1.00 0.00 O ATOM 0 H TYR A 20 2.627 -12.692 5.898 1.00 0.00 H new ATOM 0 HA TYR A 20 4.492 -11.713 3.809 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.440 -13.861 3.128 1.00 0.00 H new ATOM 0 HB3 TYR A 20 1.856 -13.173 3.426 1.00 0.00 H new ATOM 0 HD1 TYR A 20 4.897 -12.801 1.297 1.00 0.00 H new ATOM 0 HD2 TYR A 20 0.759 -11.896 1.758 1.00 0.00 H new ATOM 0 HE1 TYR A 20 4.819 -11.987 -1.017 1.00 0.00 H new ATOM 0 HE2 TYR A 20 0.682 -11.066 -0.554 1.00 0.00 H new ATOM 0 HH TYR A 20 2.061 -10.298 -2.301 1.00 0.00 H new ATOM 318 N ALA A 21 3.343 -9.546 4.330 1.00 0.00 N ATOM 319 CA ALA A 21 2.672 -8.265 4.519 1.00 0.00 C ATOM 320 C ALA A 21 3.557 -7.120 4.067 1.00 0.00 C ATOM 321 O ALA A 21 4.657 -6.950 4.588 1.00 0.00 O ATOM 322 CB ALA A 21 2.288 -8.080 5.981 1.00 0.00 C ATOM 0 H ALA A 21 4.361 -9.487 4.292 1.00 0.00 H new ATOM 0 HA ALA A 21 1.767 -8.263 3.911 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.788 -7.120 6.107 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.615 -8.882 6.285 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.186 -8.106 6.599 1.00 0.00 H new ATOM 328 N ALA A 22 3.069 -6.339 3.104 1.00 0.00 N ATOM 329 CA ALA A 22 3.827 -5.212 2.567 1.00 0.00 C ATOM 330 C ALA A 22 4.078 -4.161 3.643 1.00 0.00 C ATOM 331 O ALA A 22 3.197 -3.362 3.973 1.00 0.00 O ATOM 332 CB ALA A 22 3.116 -4.604 1.370 1.00 0.00 C ATOM 0 H ALA A 22 2.150 -6.467 2.680 1.00 0.00 H new ATOM 0 HA ALA A 22 4.794 -5.586 2.231 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.699 -3.767 0.987 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.008 -5.357 0.590 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.130 -4.251 1.673 1.00 0.00 H new ATOM 338 N GLU A 23 5.283 -4.190 4.187 1.00 0.00 N ATOM 339 CA GLU A 23 5.676 -3.312 5.274 1.00 0.00 C ATOM 340 C GLU A 23 6.343 -2.054 4.725 1.00 0.00 C ATOM 341 O GLU A 23 6.910 -2.065 3.628 1.00 0.00 O ATOM 342 CB GLU A 23 6.651 -4.052 6.195 1.00 0.00 C ATOM 343 CG GLU A 23 6.729 -3.494 7.606 1.00 0.00 C ATOM 344 CD GLU A 23 5.540 -3.900 8.449 1.00 0.00 C ATOM 345 OE1 GLU A 23 4.471 -3.274 8.317 1.00 0.00 O ATOM 346 OE2 GLU A 23 5.672 -4.846 9.252 1.00 0.00 O ATOM 0 H GLU A 23 6.020 -4.827 3.885 1.00 0.00 H new ATOM 0 HA GLU A 23 4.788 -3.020 5.835 1.00 0.00 H new ATOM 0 HB2 GLU A 23 6.357 -5.100 6.248 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.646 -4.022 5.750 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.645 -3.842 8.082 1.00 0.00 H new ATOM 0 HG3 GLU A 23 6.786 -2.406 7.562 1.00 0.00 H new ATOM 353 N ILE A 24 6.266 -0.974 5.484 1.00 0.00 N ATOM 354 CA ILE A 24 6.952 0.263 5.131 1.00 0.00 C ATOM 355 C ILE A 24 8.298 0.309 5.861 1.00 0.00 C ATOM 356 O ILE A 24 8.448 -0.311 6.915 1.00 0.00 O ATOM 357 CB ILE A 24 6.114 1.505 5.526 1.00 0.00 C ATOM 358 CG1 ILE A 24 4.688 1.394 4.983 1.00 0.00 C ATOM 359 CG2 ILE A 24 6.764 2.791 5.029 1.00 0.00 C ATOM 360 CD1 ILE A 24 4.601 1.406 3.475 1.00 0.00 C ATOM 0 H ILE A 24 5.734 -0.926 6.353 1.00 0.00 H new ATOM 0 HA ILE A 24 7.099 0.282 4.051 1.00 0.00 H new ATOM 0 HB ILE A 24 6.073 1.540 6.615 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.239 0.473 5.355 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.095 2.219 5.377 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.152 3.644 5.322 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.757 2.889 5.467 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.848 2.760 3.943 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.558 1.324 3.170 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.018 2.338 3.094 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.164 0.565 3.071 1.00 0.00 H new ATOM 372 N MET A 25 9.273 1.035 5.321 1.00 0.00 N ATOM 373 CA MET A 25 10.594 1.091 5.936 1.00 0.00 C ATOM 374 C MET A 25 11.102 2.514 6.100 1.00 0.00 C ATOM 375 O MET A 25 10.840 3.389 5.270 1.00 0.00 O ATOM 376 CB MET A 25 11.615 0.308 5.110 1.00 0.00 C ATOM 377 CG MET A 25 11.451 -1.195 5.182 1.00 0.00 C ATOM 378 SD MET A 25 11.702 -1.852 6.837 1.00 0.00 S ATOM 379 CE MET A 25 11.545 -3.600 6.499 1.00 0.00 C ATOM 0 H MET A 25 9.175 1.587 4.469 1.00 0.00 H new ATOM 0 HA MET A 25 10.483 0.645 6.924 1.00 0.00 H new ATOM 0 HB2 MET A 25 11.539 0.621 4.069 1.00 0.00 H new ATOM 0 HB3 MET A 25 12.617 0.569 5.449 1.00 0.00 H new ATOM 0 HG2 MET A 25 10.452 -1.463 4.839 1.00 0.00 H new ATOM 0 HG3 MET A 25 12.159 -1.665 4.499 1.00 0.00 H new ATOM 0 HE1 MET A 25 12.309 -4.147 7.051 1.00 0.00 H new ATOM 0 HE2 MET A 25 10.558 -3.943 6.809 1.00 0.00 H new ATOM 0 HE3 MET A 25 11.672 -3.777 5.431 1.00 0.00 H new ATOM 389 N LYS A 26 11.815 2.733 7.195 1.00 0.00 N ATOM 390 CA LYS A 26 12.661 3.899 7.348 1.00 0.00 C ATOM 391 C LYS A 26 13.976 3.608 6.643 1.00 0.00 C ATOM 392 O LYS A 26 14.348 2.446 6.535 1.00 0.00 O ATOM 393 CB LYS A 26 12.908 4.176 8.832 1.00 0.00 C ATOM 394 CG LYS A 26 11.636 4.457 9.614 1.00 0.00 C ATOM 395 CD LYS A 26 11.922 4.958 11.024 1.00 0.00 C ATOM 396 CE LYS A 26 12.663 3.927 11.857 1.00 0.00 C ATOM 397 NZ LYS A 26 12.851 4.384 13.260 1.00 0.00 N ATOM 0 H LYS A 26 11.821 2.106 7.999 1.00 0.00 H new ATOM 0 HA LYS A 26 12.184 4.778 6.916 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.416 3.319 9.274 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.580 5.029 8.928 1.00 0.00 H new ATOM 0 HG2 LYS A 26 11.041 5.199 9.081 1.00 0.00 H new ATOM 0 HG3 LYS A 26 11.037 3.548 9.668 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.513 5.873 10.970 1.00 0.00 H new ATOM 0 HD3 LYS A 26 10.983 5.213 11.515 1.00 0.00 H new ATOM 0 HE2 LYS A 26 12.109 2.988 11.851 1.00 0.00 H new ATOM 0 HE3 LYS A 26 13.635 3.726 11.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 13.360 3.654 13.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 13.401 5.266 13.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.923 4.552 13.698 1.00 0.00 H new ATOM 411 N LYS A 27 14.675 4.628 6.155 1.00 0.00 N ATOM 412 CA LYS A 27 15.908 4.393 5.397 1.00 0.00 C ATOM 413 C LYS A 27 16.924 3.606 6.222 1.00 0.00 C ATOM 414 O LYS A 27 17.610 2.727 5.701 1.00 0.00 O ATOM 415 CB LYS A 27 16.547 5.697 4.920 1.00 0.00 C ATOM 416 CG LYS A 27 17.740 5.455 4.005 1.00 0.00 C ATOM 417 CD LYS A 27 18.453 6.738 3.632 1.00 0.00 C ATOM 418 CE LYS A 27 19.578 6.466 2.645 1.00 0.00 C ATOM 419 NZ LYS A 27 20.646 5.599 3.217 1.00 0.00 N ATOM 0 H LYS A 27 14.419 5.609 6.265 1.00 0.00 H new ATOM 0 HA LYS A 27 15.623 3.808 4.522 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.802 6.292 4.392 1.00 0.00 H new ATOM 0 HB3 LYS A 27 16.867 6.280 5.784 1.00 0.00 H new ATOM 0 HG2 LYS A 27 18.442 4.783 4.498 1.00 0.00 H new ATOM 0 HG3 LYS A 27 17.403 4.953 3.098 1.00 0.00 H new ATOM 0 HD2 LYS A 27 17.743 7.440 3.195 1.00 0.00 H new ATOM 0 HD3 LYS A 27 18.856 7.209 4.529 1.00 0.00 H new ATOM 0 HE2 LYS A 27 19.168 5.990 1.754 1.00 0.00 H new ATOM 0 HE3 LYS A 27 20.015 7.413 2.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 21.475 5.610 2.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 20.918 5.956 4.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 20.292 4.625 3.306 1.00 0.00 H new ATOM 433 N THR A 28 17.006 3.921 7.504 1.00 0.00 N ATOM 434 CA THR A 28 17.925 3.243 8.398 1.00 0.00 C ATOM 435 C THR A 28 17.630 1.747 8.462 1.00 0.00 C ATOM 436 O THR A 28 18.542 0.926 8.339 1.00 0.00 O ATOM 437 CB THR A 28 17.872 3.861 9.805 1.00 0.00 C ATOM 438 OG1 THR A 28 16.528 4.268 10.111 1.00 0.00 O ATOM 439 CG2 THR A 28 18.809 5.053 9.908 1.00 0.00 C ATOM 0 H THR A 28 16.443 4.646 7.949 1.00 0.00 H new ATOM 0 HA THR A 28 18.931 3.373 8.000 1.00 0.00 H new ATOM 0 HB THR A 28 18.194 3.107 10.523 1.00 0.00 H new ATOM 0 HG1 THR A 28 16.501 4.659 11.009 1.00 0.00 H new ATOM 0 HG21 THR A 28 18.754 5.473 10.912 1.00 0.00 H new ATOM 0 HG22 THR A 28 19.830 4.732 9.705 1.00 0.00 H new ATOM 0 HG23 THR A 28 18.515 5.810 9.181 1.00 0.00 H new ATOM 447 N ASP A 29 16.361 1.396 8.619 1.00 0.00 N ATOM 448 CA ASP A 29 15.955 -0.007 8.592 1.00 0.00 C ATOM 449 C ASP A 29 16.120 -0.557 7.188 1.00 0.00 C ATOM 450 O ASP A 29 16.568 -1.676 7.008 1.00 0.00 O ATOM 451 CB ASP A 29 14.496 -0.186 9.038 1.00 0.00 C ATOM 452 CG ASP A 29 14.270 0.146 10.499 1.00 0.00 C ATOM 453 OD1 ASP A 29 14.769 -0.599 11.368 1.00 0.00 O ATOM 454 OD2 ASP A 29 13.585 1.152 10.780 1.00 0.00 O ATOM 0 H ASP A 29 15.598 2.057 8.766 1.00 0.00 H new ATOM 0 HA ASP A 29 16.592 -0.551 9.289 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.856 0.449 8.425 1.00 0.00 H new ATOM 0 HB3 ASP A 29 14.192 -1.217 8.856 1.00 0.00 H new ATOM 459 N PHE A 30 15.773 0.257 6.202 1.00 0.00 N ATOM 460 CA PHE A 30 15.853 -0.124 4.799 1.00 0.00 C ATOM 461 C PHE A 30 17.254 -0.588 4.411 1.00 0.00 C ATOM 462 O PHE A 30 17.409 -1.619 3.762 1.00 0.00 O ATOM 463 CB PHE A 30 15.415 1.049 3.915 1.00 0.00 C ATOM 464 CG PHE A 30 15.631 0.823 2.445 1.00 0.00 C ATOM 465 CD1 PHE A 30 15.011 -0.229 1.791 1.00 0.00 C ATOM 466 CD2 PHE A 30 16.461 1.664 1.717 1.00 0.00 C ATOM 467 CE1 PHE A 30 15.216 -0.440 0.443 1.00 0.00 C ATOM 468 CE2 PHE A 30 16.668 1.456 0.368 1.00 0.00 C ATOM 469 CZ PHE A 30 16.043 0.405 -0.271 1.00 0.00 C ATOM 0 H PHE A 30 15.427 1.204 6.353 1.00 0.00 H new ATOM 0 HA PHE A 30 15.180 -0.967 4.644 1.00 0.00 H new ATOM 0 HB2 PHE A 30 14.357 1.247 4.090 1.00 0.00 H new ATOM 0 HB3 PHE A 30 15.961 1.942 4.218 1.00 0.00 H new ATOM 0 HD1 PHE A 30 14.360 -0.891 2.342 1.00 0.00 H new ATOM 0 HD2 PHE A 30 16.950 2.490 2.211 1.00 0.00 H new ATOM 0 HE1 PHE A 30 14.730 -1.266 -0.054 1.00 0.00 H new ATOM 0 HE2 PHE A 30 17.319 2.116 -0.187 1.00 0.00 H new ATOM 0 HZ PHE A 30 16.200 0.243 -1.327 1.00 0.00 H new ATOM 479 N ASP A 31 18.271 0.161 4.811 1.00 0.00 N ATOM 480 CA ASP A 31 19.646 -0.198 4.466 1.00 0.00 C ATOM 481 C ASP A 31 20.058 -1.485 5.165 1.00 0.00 C ATOM 482 O ASP A 31 20.835 -2.278 4.632 1.00 0.00 O ATOM 483 CB ASP A 31 20.630 0.924 4.828 1.00 0.00 C ATOM 484 CG ASP A 31 20.546 2.129 3.906 1.00 0.00 C ATOM 485 OD1 ASP A 31 20.847 1.984 2.702 1.00 0.00 O ATOM 486 OD2 ASP A 31 20.221 3.235 4.387 1.00 0.00 O ATOM 0 H ASP A 31 18.177 1.011 5.367 1.00 0.00 H new ATOM 0 HA ASP A 31 19.679 -0.349 3.387 1.00 0.00 H new ATOM 0 HB2 ASP A 31 20.439 1.246 5.852 1.00 0.00 H new ATOM 0 HB3 ASP A 31 21.645 0.528 4.802 1.00 0.00 H new ATOM 491 N LYS A 32 19.515 -1.695 6.350 1.00 0.00 N ATOM 492 CA LYS A 32 19.801 -2.889 7.128 1.00 0.00 C ATOM 493 C LYS A 32 19.055 -4.098 6.575 1.00 0.00 C ATOM 494 O LYS A 32 19.623 -5.182 6.447 1.00 0.00 O ATOM 495 CB LYS A 32 19.426 -2.653 8.594 1.00 0.00 C ATOM 496 CG LYS A 32 20.601 -2.252 9.476 1.00 0.00 C ATOM 497 CD LYS A 32 21.166 -0.898 9.083 1.00 0.00 C ATOM 498 CE LYS A 32 22.335 -0.500 9.971 1.00 0.00 C ATOM 499 NZ LYS A 32 22.809 0.879 9.684 1.00 0.00 N ATOM 0 H LYS A 32 18.867 -1.048 6.799 1.00 0.00 H new ATOM 0 HA LYS A 32 20.869 -3.098 7.060 1.00 0.00 H new ATOM 0 HB2 LYS A 32 18.665 -1.874 8.643 1.00 0.00 H new ATOM 0 HB3 LYS A 32 18.977 -3.562 8.995 1.00 0.00 H new ATOM 0 HG2 LYS A 32 20.280 -2.224 10.517 1.00 0.00 H new ATOM 0 HG3 LYS A 32 21.384 -3.007 9.404 1.00 0.00 H new ATOM 0 HD2 LYS A 32 21.492 -0.927 8.043 1.00 0.00 H new ATOM 0 HD3 LYS A 32 20.383 -0.143 9.151 1.00 0.00 H new ATOM 0 HE2 LYS A 32 22.036 -0.570 11.017 1.00 0.00 H new ATOM 0 HE3 LYS A 32 23.156 -1.203 9.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 23.606 1.110 10.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 23.119 0.940 8.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 22.034 1.553 9.847 1.00 0.00 H new ATOM 513 N VAL A 33 17.795 -3.904 6.212 1.00 0.00 N ATOM 514 CA VAL A 33 16.971 -5.001 5.727 1.00 0.00 C ATOM 515 C VAL A 33 17.258 -5.293 4.266 1.00 0.00 C ATOM 516 O VAL A 33 16.838 -6.315 3.746 1.00 0.00 O ATOM 517 CB VAL A 33 15.461 -4.739 5.906 1.00 0.00 C ATOM 518 CG1 VAL A 33 15.136 -4.485 7.365 1.00 0.00 C ATOM 519 CG2 VAL A 33 14.991 -3.580 5.039 1.00 0.00 C ATOM 0 H VAL A 33 17.323 -3.000 6.244 1.00 0.00 H new ATOM 0 HA VAL A 33 17.235 -5.866 6.335 1.00 0.00 H new ATOM 0 HB VAL A 33 14.926 -5.631 5.581 1.00 0.00 H new ATOM 0 HG11 VAL A 33 14.067 -4.302 7.473 1.00 0.00 H new ATOM 0 HG12 VAL A 33 15.417 -5.356 7.957 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.690 -3.614 7.715 1.00 0.00 H new ATOM 0 HG21 VAL A 33 13.923 -3.423 5.190 1.00 0.00 H new ATOM 0 HG22 VAL A 33 15.533 -2.676 5.315 1.00 0.00 H new ATOM 0 HG23 VAL A 33 15.180 -3.810 3.990 1.00 0.00 H new ATOM 529 N ALA A 34 17.985 -4.397 3.604 1.00 0.00 N ATOM 530 CA ALA A 34 18.428 -4.649 2.238 1.00 0.00 C ATOM 531 C ALA A 34 19.352 -5.866 2.206 1.00 0.00 C ATOM 532 O ALA A 34 19.544 -6.493 1.165 1.00 0.00 O ATOM 533 CB ALA A 34 19.134 -3.427 1.673 1.00 0.00 C ATOM 0 H ALA A 34 18.277 -3.498 3.988 1.00 0.00 H new ATOM 0 HA ALA A 34 17.556 -4.855 1.618 1.00 0.00 H new ATOM 0 HB1 ALA A 34 19.458 -3.633 0.653 1.00 0.00 H new ATOM 0 HB2 ALA A 34 18.449 -2.579 1.672 1.00 0.00 H new ATOM 0 HB3 ALA A 34 20.002 -3.191 2.289 1.00 0.00 H new ATOM 539 N SER A 35 19.905 -6.195 3.368 1.00 0.00 N ATOM 540 CA SER A 35 20.787 -7.342 3.507 1.00 0.00 C ATOM 541 C SER A 35 19.980 -8.603 3.837 1.00 0.00 C ATOM 542 O SER A 35 20.473 -9.722 3.691 1.00 0.00 O ATOM 543 CB SER A 35 21.826 -7.068 4.602 1.00 0.00 C ATOM 544 OG SER A 35 22.825 -8.080 4.633 1.00 0.00 O ATOM 0 H SER A 35 19.754 -5.676 4.233 1.00 0.00 H new ATOM 0 HA SER A 35 21.304 -7.507 2.562 1.00 0.00 H new ATOM 0 HB2 SER A 35 22.293 -6.099 4.428 1.00 0.00 H new ATOM 0 HB3 SER A 35 21.330 -7.014 5.571 1.00 0.00 H new ATOM 0 HG SER A 35 23.474 -7.878 5.339 1.00 0.00 H new ATOM 550 N GLU A 36 18.736 -8.411 4.268 1.00 0.00 N ATOM 551 CA GLU A 36 17.876 -9.521 4.672 1.00 0.00 C ATOM 552 C GLU A 36 16.698 -9.668 3.703 1.00 0.00 C ATOM 553 O GLU A 36 15.789 -10.473 3.909 1.00 0.00 O ATOM 554 CB GLU A 36 17.365 -9.287 6.100 1.00 0.00 C ATOM 555 CG GLU A 36 18.420 -8.711 7.034 1.00 0.00 C ATOM 556 CD GLU A 36 18.106 -8.932 8.500 1.00 0.00 C ATOM 557 OE1 GLU A 36 17.117 -8.357 9.003 1.00 0.00 O ATOM 558 OE2 GLU A 36 18.855 -9.684 9.164 1.00 0.00 O ATOM 0 H GLU A 36 18.299 -7.493 4.347 1.00 0.00 H new ATOM 0 HA GLU A 36 18.456 -10.444 4.647 1.00 0.00 H new ATOM 0 HB2 GLU A 36 16.512 -8.609 6.066 1.00 0.00 H new ATOM 0 HB3 GLU A 36 17.006 -10.232 6.509 1.00 0.00 H new ATOM 0 HG2 GLU A 36 19.385 -9.163 6.804 1.00 0.00 H new ATOM 0 HG3 GLU A 36 18.516 -7.641 6.847 1.00 0.00 H new ATOM 565 N TYR A 37 16.749 -8.899 2.626 1.00 0.00 N ATOM 566 CA TYR A 37 15.676 -8.856 1.640 1.00 0.00 C ATOM 567 C TYR A 37 16.244 -8.977 0.232 1.00 0.00 C ATOM 568 O TYR A 37 17.454 -9.120 0.058 1.00 0.00 O ATOM 569 CB TYR A 37 14.873 -7.556 1.770 1.00 0.00 C ATOM 570 CG TYR A 37 13.743 -7.617 2.777 1.00 0.00 C ATOM 571 CD1 TYR A 37 13.988 -7.745 4.141 1.00 0.00 C ATOM 572 CD2 TYR A 37 12.425 -7.541 2.355 1.00 0.00 C ATOM 573 CE1 TYR A 37 12.949 -7.799 5.050 1.00 0.00 C ATOM 574 CE2 TYR A 37 11.384 -7.595 3.254 1.00 0.00 C ATOM 575 CZ TYR A 37 11.648 -7.726 4.598 1.00 0.00 C ATOM 576 OH TYR A 37 10.602 -7.773 5.491 1.00 0.00 O ATOM 0 H TYR A 37 17.535 -8.286 2.409 1.00 0.00 H new ATOM 0 HA TYR A 37 15.009 -9.698 1.826 1.00 0.00 H new ATOM 0 HB2 TYR A 37 15.551 -6.751 2.052 1.00 0.00 H new ATOM 0 HB3 TYR A 37 14.461 -7.299 0.794 1.00 0.00 H new ATOM 0 HD1 TYR A 37 15.007 -7.803 4.495 1.00 0.00 H new ATOM 0 HD2 TYR A 37 12.211 -7.438 1.302 1.00 0.00 H new ATOM 0 HE1 TYR A 37 13.154 -7.898 6.106 1.00 0.00 H new ATOM 0 HE2 TYR A 37 10.364 -7.535 2.906 1.00 0.00 H new ATOM 0 HH TYR A 37 9.840 -8.230 5.078 1.00 0.00 H new ATOM 586 N THR A 38 15.374 -8.946 -0.765 1.00 0.00 N ATOM 587 CA THR A 38 15.800 -9.053 -2.147 1.00 0.00 C ATOM 588 C THR A 38 14.966 -8.152 -3.054 1.00 0.00 C ATOM 589 O THR A 38 13.733 -8.173 -3.003 1.00 0.00 O ATOM 590 CB THR A 38 15.701 -10.515 -2.623 1.00 0.00 C ATOM 591 OG1 THR A 38 16.469 -11.347 -1.748 1.00 0.00 O ATOM 592 CG2 THR A 38 16.199 -10.669 -4.055 1.00 0.00 C ATOM 0 H THR A 38 14.367 -8.847 -0.640 1.00 0.00 H new ATOM 0 HA THR A 38 16.838 -8.726 -2.204 1.00 0.00 H new ATOM 0 HB THR A 38 14.654 -10.816 -2.601 1.00 0.00 H new ATOM 0 HG1 THR A 38 16.408 -12.279 -2.046 1.00 0.00 H new ATOM 0 HG21 THR A 38 16.115 -11.712 -4.359 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.597 -10.048 -4.718 1.00 0.00 H new ATOM 0 HG23 THR A 38 17.242 -10.357 -4.113 1.00 0.00 H new ATOM 600 N LYS A 39 15.650 -7.348 -3.861 1.00 0.00 N ATOM 601 CA LYS A 39 14.997 -6.480 -4.830 1.00 0.00 C ATOM 602 C LYS A 39 14.272 -7.317 -5.874 1.00 0.00 C ATOM 603 O LYS A 39 14.846 -8.249 -6.435 1.00 0.00 O ATOM 604 CB LYS A 39 16.032 -5.593 -5.528 1.00 0.00 C ATOM 605 CG LYS A 39 15.423 -4.549 -6.454 1.00 0.00 C ATOM 606 CD LYS A 39 15.255 -3.214 -5.752 1.00 0.00 C ATOM 607 CE LYS A 39 16.586 -2.487 -5.619 1.00 0.00 C ATOM 608 NZ LYS A 39 16.478 -1.282 -4.758 1.00 0.00 N ATOM 0 H LYS A 39 16.668 -7.281 -3.861 1.00 0.00 H new ATOM 0 HA LYS A 39 14.279 -5.852 -4.303 1.00 0.00 H new ATOM 0 HB2 LYS A 39 16.633 -5.088 -4.772 1.00 0.00 H new ATOM 0 HB3 LYS A 39 16.709 -6.225 -6.103 1.00 0.00 H new ATOM 0 HG2 LYS A 39 16.059 -4.423 -7.330 1.00 0.00 H new ATOM 0 HG3 LYS A 39 14.454 -4.898 -6.811 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.553 -2.593 -6.310 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.824 -3.372 -4.763 1.00 0.00 H new ATOM 0 HE2 LYS A 39 17.330 -3.166 -5.201 1.00 0.00 H new ATOM 0 HE3 LYS A 39 16.940 -2.196 -6.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 17.301 -0.666 -4.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 15.607 -0.764 -4.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 16.451 -1.570 -3.759 1.00 0.00 H new ATOM 622 N ILE A 40 13.015 -6.993 -6.125 1.00 0.00 N ATOM 623 CA ILE A 40 12.247 -7.697 -7.146 1.00 0.00 C ATOM 624 C ILE A 40 11.855 -6.764 -8.287 1.00 0.00 C ATOM 625 O ILE A 40 11.301 -7.202 -9.294 1.00 0.00 O ATOM 626 CB ILE A 40 10.979 -8.356 -6.567 1.00 0.00 C ATOM 627 CG1 ILE A 40 10.138 -7.340 -5.792 1.00 0.00 C ATOM 628 CG2 ILE A 40 11.356 -9.530 -5.677 1.00 0.00 C ATOM 629 CD1 ILE A 40 8.823 -7.902 -5.295 1.00 0.00 C ATOM 0 H ILE A 40 12.505 -6.253 -5.642 1.00 0.00 H new ATOM 0 HA ILE A 40 12.898 -8.482 -7.531 1.00 0.00 H new ATOM 0 HB ILE A 40 10.376 -8.726 -7.396 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.714 -6.976 -4.941 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.939 -6.481 -6.432 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.452 -9.987 -5.274 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.906 -10.268 -6.261 1.00 0.00 H new ATOM 0 HG23 ILE A 40 11.981 -9.178 -4.856 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.278 -7.128 -4.754 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.228 -8.240 -6.143 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.015 -8.743 -4.629 1.00 0.00 H new ATOM 641 N GLY A 41 12.139 -5.479 -8.121 1.00 0.00 N ATOM 642 CA GLY A 41 11.858 -4.519 -9.165 1.00 0.00 C ATOM 643 C GLY A 41 11.209 -3.259 -8.634 1.00 0.00 C ATOM 644 O GLY A 41 10.807 -3.203 -7.474 1.00 0.00 O ATOM 0 H GLY A 41 12.560 -5.086 -7.279 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.786 -4.259 -9.674 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.204 -4.976 -9.908 1.00 0.00 H new ATOM 648 N THR A 42 11.138 -2.240 -9.472 1.00 0.00 N ATOM 649 CA THR A 42 10.494 -0.992 -9.103 1.00 0.00 C ATOM 650 C THR A 42 9.143 -0.864 -9.812 1.00 0.00 C ATOM 651 O THR A 42 8.945 -1.424 -10.894 1.00 0.00 O ATOM 652 CB THR A 42 11.383 0.213 -9.469 1.00 0.00 C ATOM 653 OG1 THR A 42 12.747 -0.066 -9.119 1.00 0.00 O ATOM 654 CG2 THR A 42 10.939 1.474 -8.748 1.00 0.00 C ATOM 0 H THR A 42 11.521 -2.253 -10.417 1.00 0.00 H new ATOM 0 HA THR A 42 10.338 -0.999 -8.024 1.00 0.00 H new ATOM 0 HB THR A 42 11.292 0.377 -10.543 1.00 0.00 H new ATOM 0 HG1 THR A 42 12.808 -0.246 -8.158 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.589 2.302 -9.030 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.911 1.708 -9.024 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.998 1.317 -7.671 1.00 0.00 H new ATOM 662 N ILE A 43 8.228 -0.134 -9.199 1.00 0.00 N ATOM 663 CA ILE A 43 6.914 0.117 -9.782 1.00 0.00 C ATOM 664 C ILE A 43 6.656 1.613 -9.841 1.00 0.00 C ATOM 665 O ILE A 43 7.330 2.388 -9.160 1.00 0.00 O ATOM 666 CB ILE A 43 5.775 -0.546 -8.968 1.00 0.00 C ATOM 667 CG1 ILE A 43 5.737 0.022 -7.548 1.00 0.00 C ATOM 668 CG2 ILE A 43 5.935 -2.060 -8.933 1.00 0.00 C ATOM 669 CD1 ILE A 43 4.687 -0.611 -6.665 1.00 0.00 C ATOM 0 H ILE A 43 8.370 0.301 -8.288 1.00 0.00 H new ATOM 0 HA ILE A 43 6.919 -0.317 -10.782 1.00 0.00 H new ATOM 0 HB ILE A 43 4.830 -0.320 -9.461 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.715 -0.113 -7.087 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.555 1.095 -7.601 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.122 -2.499 -8.355 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.910 -2.452 -9.950 1.00 0.00 H new ATOM 0 HG23 ILE A 43 6.888 -2.315 -8.469 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.722 -0.156 -5.675 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.701 -0.454 -7.102 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.880 -1.680 -6.580 1.00 0.00 H new ATOM 681 N SER A 44 5.678 2.016 -10.636 1.00 0.00 N ATOM 682 CA SER A 44 5.312 3.409 -10.736 1.00 0.00 C ATOM 683 C SER A 44 3.882 3.578 -11.227 1.00 0.00 C ATOM 684 O SER A 44 3.294 2.667 -11.814 1.00 0.00 O ATOM 685 CB SER A 44 6.260 4.135 -11.675 1.00 0.00 C ATOM 686 OG SER A 44 6.641 3.316 -12.769 1.00 0.00 O ATOM 0 H SER A 44 5.124 1.391 -11.222 1.00 0.00 H new ATOM 0 HA SER A 44 5.383 3.840 -9.737 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.781 5.041 -12.047 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.149 4.447 -11.126 1.00 0.00 H new ATOM 0 HG SER A 44 7.249 3.814 -13.354 1.00 0.00 H new ATOM 692 N THR A 45 3.337 4.753 -10.972 1.00 0.00 N ATOM 693 CA THR A 45 2.020 5.121 -11.460 1.00 0.00 C ATOM 694 C THR A 45 2.139 6.243 -12.478 1.00 0.00 C ATOM 695 O THR A 45 2.833 7.232 -12.242 1.00 0.00 O ATOM 696 CB THR A 45 1.098 5.571 -10.312 1.00 0.00 C ATOM 697 OG1 THR A 45 1.868 6.230 -9.300 1.00 0.00 O ATOM 698 CG2 THR A 45 0.359 4.390 -9.711 1.00 0.00 C ATOM 0 H THR A 45 3.794 5.479 -10.421 1.00 0.00 H new ATOM 0 HA THR A 45 1.581 4.239 -11.927 1.00 0.00 H new ATOM 0 HB THR A 45 0.361 6.264 -10.717 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.541 5.964 -8.415 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.285 4.737 -8.903 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.249 3.912 -10.479 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.079 3.672 -9.319 1.00 0.00 H new ATOM 706 N THR A 46 1.500 6.078 -13.620 1.00 0.00 N ATOM 707 CA THR A 46 1.529 7.095 -14.654 1.00 0.00 C ATOM 708 C THR A 46 0.275 7.011 -15.513 1.00 0.00 C ATOM 709 O THR A 46 0.012 5.988 -16.144 1.00 0.00 O ATOM 710 CB THR A 46 2.776 6.949 -15.550 1.00 0.00 C ATOM 711 OG1 THR A 46 3.955 6.832 -14.736 1.00 0.00 O ATOM 712 CG2 THR A 46 2.916 8.146 -16.477 1.00 0.00 C ATOM 0 H THR A 46 0.954 5.249 -13.856 1.00 0.00 H new ATOM 0 HA THR A 46 1.569 8.066 -14.161 1.00 0.00 H new ATOM 0 HB THR A 46 2.659 6.049 -16.154 1.00 0.00 H new ATOM 0 HG1 THR A 46 4.742 6.738 -15.312 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.802 8.022 -17.100 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.033 8.220 -17.112 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.013 9.056 -15.884 1.00 0.00 H new ATOM 720 N GLY A 47 -0.507 8.081 -15.507 1.00 0.00 N ATOM 721 CA GLY A 47 -1.701 8.137 -16.318 1.00 0.00 C ATOM 722 C GLY A 47 -2.644 9.214 -15.839 1.00 0.00 C ATOM 723 O GLY A 47 -2.290 10.393 -15.823 1.00 0.00 O ATOM 0 H GLY A 47 -0.332 8.917 -14.949 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.428 8.326 -17.356 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.206 7.171 -16.291 1.00 0.00 H new ATOM 727 N GLU A 48 -3.841 8.805 -15.448 1.00 0.00 N ATOM 728 CA GLU A 48 -4.833 9.717 -14.897 1.00 0.00 C ATOM 729 C GLU A 48 -5.483 9.116 -13.653 1.00 0.00 C ATOM 730 O GLU A 48 -6.376 8.279 -13.757 1.00 0.00 O ATOM 731 CB GLU A 48 -5.912 10.040 -15.931 1.00 0.00 C ATOM 732 CG GLU A 48 -5.363 10.612 -17.221 1.00 0.00 C ATOM 733 CD GLU A 48 -6.428 11.299 -18.044 1.00 0.00 C ATOM 734 OE1 GLU A 48 -6.676 12.503 -17.816 1.00 0.00 O ATOM 735 OE2 GLU A 48 -7.013 10.646 -18.931 1.00 0.00 O ATOM 0 H GLU A 48 -4.152 7.835 -15.503 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.320 10.639 -14.623 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.472 9.132 -16.155 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -6.616 10.751 -15.499 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.569 11.323 -16.992 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.913 9.811 -17.808 1.00 0.00 H new ATOM 742 N MET A 49 -5.010 9.533 -12.487 1.00 0.00 N ATOM 743 CA MET A 49 -5.534 9.050 -11.211 1.00 0.00 C ATOM 744 C MET A 49 -5.368 10.130 -10.149 1.00 0.00 C ATOM 745 O MET A 49 -4.878 11.222 -10.440 1.00 0.00 O ATOM 746 CB MET A 49 -4.789 7.781 -10.753 1.00 0.00 C ATOM 747 CG MET A 49 -5.127 6.522 -11.535 1.00 0.00 C ATOM 748 SD MET A 49 -6.795 5.928 -11.201 1.00 0.00 S ATOM 749 CE MET A 49 -6.827 4.444 -12.205 1.00 0.00 C ATOM 0 H MET A 49 -4.255 10.213 -12.396 1.00 0.00 H new ATOM 0 HA MET A 49 -6.589 8.811 -11.345 1.00 0.00 H new ATOM 0 HB2 MET A 49 -3.716 7.960 -10.828 1.00 0.00 H new ATOM 0 HB3 MET A 49 -5.011 7.607 -9.700 1.00 0.00 H new ATOM 0 HG2 MET A 49 -5.023 6.722 -12.601 1.00 0.00 H new ATOM 0 HG3 MET A 49 -4.410 5.740 -11.286 1.00 0.00 H new ATOM 0 HE1 MET A 49 -7.798 3.959 -12.106 1.00 0.00 H new ATOM 0 HE2 MET A 49 -6.657 4.707 -13.249 1.00 0.00 H new ATOM 0 HE3 MET A 49 -6.045 3.762 -11.871 1.00 0.00 H new ATOM 759 N SER A 50 -5.772 9.822 -8.927 1.00 0.00 N ATOM 760 CA SER A 50 -5.485 10.676 -7.789 1.00 0.00 C ATOM 761 C SER A 50 -4.251 10.142 -7.053 1.00 0.00 C ATOM 762 O SER A 50 -4.058 8.932 -6.980 1.00 0.00 O ATOM 763 CB SER A 50 -6.705 10.732 -6.870 1.00 0.00 C ATOM 764 OG SER A 50 -7.496 9.561 -7.005 1.00 0.00 O ATOM 0 H SER A 50 -6.303 8.981 -8.699 1.00 0.00 H new ATOM 0 HA SER A 50 -5.270 11.691 -8.124 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.381 10.839 -5.835 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.305 11.610 -7.109 1.00 0.00 H new ATOM 0 HG SER A 50 -7.851 9.303 -6.129 1.00 0.00 H new ATOM 770 N PRO A 51 -3.403 11.031 -6.507 1.00 0.00 N ATOM 771 CA PRO A 51 -2.101 10.650 -5.928 1.00 0.00 C ATOM 772 C PRO A 51 -2.209 9.590 -4.840 1.00 0.00 C ATOM 773 O PRO A 51 -1.523 8.569 -4.879 1.00 0.00 O ATOM 774 CB PRO A 51 -1.571 11.953 -5.330 1.00 0.00 C ATOM 775 CG PRO A 51 -2.295 13.031 -6.056 1.00 0.00 C ATOM 776 CD PRO A 51 -3.646 12.479 -6.400 1.00 0.00 C ATOM 0 HA PRO A 51 -1.455 10.209 -6.687 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.762 12.002 -4.258 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -0.493 12.040 -5.466 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -2.387 13.923 -5.436 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.754 13.323 -6.956 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -4.382 12.707 -5.629 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -4.024 12.894 -7.335 1.00 0.00 H new ATOM 784 N LEU A 52 -3.067 9.846 -3.868 1.00 0.00 N ATOM 785 CA LEU A 52 -3.271 8.911 -2.760 1.00 0.00 C ATOM 786 C LEU A 52 -3.823 7.578 -3.259 1.00 0.00 C ATOM 787 O LEU A 52 -3.454 6.518 -2.753 1.00 0.00 O ATOM 788 CB LEU A 52 -4.211 9.510 -1.712 1.00 0.00 C ATOM 789 CG LEU A 52 -3.689 10.765 -1.012 1.00 0.00 C ATOM 790 CD1 LEU A 52 -4.734 11.312 -0.055 1.00 0.00 C ATOM 791 CD2 LEU A 52 -2.395 10.468 -0.275 1.00 0.00 C ATOM 0 H LEU A 52 -3.636 10.691 -3.818 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.301 8.729 -2.298 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.160 9.749 -2.192 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.418 8.752 -0.957 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.485 11.521 -1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.347 12.205 0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.638 11.565 -0.609 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.969 10.559 0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.040 11.374 0.216 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.571 9.695 0.473 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.643 10.122 -0.984 1.00 0.00 H new ATOM 803 N ASP A 53 -4.697 7.632 -4.258 1.00 0.00 N ATOM 804 CA ASP A 53 -5.250 6.415 -4.848 1.00 0.00 C ATOM 805 C ASP A 53 -4.180 5.679 -5.635 1.00 0.00 C ATOM 806 O ASP A 53 -4.154 4.450 -5.669 1.00 0.00 O ATOM 807 CB ASP A 53 -6.447 6.727 -5.748 1.00 0.00 C ATOM 808 CG ASP A 53 -7.690 7.083 -4.957 1.00 0.00 C ATOM 809 OD1 ASP A 53 -8.445 6.163 -4.579 1.00 0.00 O ATOM 810 OD2 ASP A 53 -7.920 8.287 -4.708 1.00 0.00 O ATOM 0 H ASP A 53 -5.037 8.498 -4.675 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.597 5.777 -4.036 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.193 7.554 -6.411 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.657 5.864 -6.380 1.00 0.00 H new ATOM 815 N ALA A 54 -3.291 6.440 -6.256 1.00 0.00 N ATOM 816 CA ALA A 54 -2.155 5.871 -6.963 1.00 0.00 C ATOM 817 C ALA A 54 -1.211 5.189 -5.984 1.00 0.00 C ATOM 818 O ALA A 54 -0.658 4.134 -6.279 1.00 0.00 O ATOM 819 CB ALA A 54 -1.422 6.946 -7.747 1.00 0.00 C ATOM 0 H ALA A 54 -3.336 7.459 -6.284 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.524 5.125 -7.667 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.575 6.501 -8.270 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.101 7.394 -8.472 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.063 7.715 -7.063 1.00 0.00 H new ATOM 825 N ARG A 55 -1.037 5.802 -4.813 1.00 0.00 N ATOM 826 CA ARG A 55 -0.266 5.206 -3.740 1.00 0.00 C ATOM 827 C ARG A 55 -0.885 3.872 -3.351 1.00 0.00 C ATOM 828 O ARG A 55 -0.217 2.842 -3.349 1.00 0.00 O ATOM 829 CB ARG A 55 -0.225 6.152 -2.531 1.00 0.00 C ATOM 830 CG ARG A 55 0.725 7.330 -2.691 1.00 0.00 C ATOM 831 CD ARG A 55 0.748 8.190 -1.437 1.00 0.00 C ATOM 832 NE ARG A 55 1.706 9.298 -1.533 1.00 0.00 N ATOM 833 CZ ARG A 55 1.961 10.146 -0.531 1.00 0.00 C ATOM 834 NH1 ARG A 55 1.332 10.003 0.631 1.00 0.00 N ATOM 835 NH2 ARG A 55 2.847 11.128 -0.687 1.00 0.00 N ATOM 0 H ARG A 55 -1.426 6.718 -4.590 1.00 0.00 H new ATOM 0 HA ARG A 55 0.756 5.038 -4.079 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.230 6.533 -2.348 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.066 5.583 -1.648 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.730 6.964 -2.903 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.419 7.935 -3.545 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.249 8.591 -1.257 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.001 7.568 -0.578 1.00 0.00 H new ATOM 0 HE ARG A 55 2.205 9.428 -2.413 1.00 0.00 H new ATOM 0 HH11 ARG A 55 0.657 9.248 0.756 1.00 0.00 H new ATOM 0 HH12 ARG A 55 1.524 10.648 1.398 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.336 11.237 -1.575 1.00 0.00 H new ATOM 0 HH22 ARG A 55 3.036 11.771 0.082 1.00 0.00 H new ATOM 849 N GLU A 56 -2.182 3.903 -3.059 1.00 0.00 N ATOM 850 CA GLU A 56 -2.934 2.713 -2.688 1.00 0.00 C ATOM 851 C GLU A 56 -2.812 1.634 -3.763 1.00 0.00 C ATOM 852 O GLU A 56 -2.606 0.461 -3.455 1.00 0.00 O ATOM 853 CB GLU A 56 -4.403 3.090 -2.486 1.00 0.00 C ATOM 854 CG GLU A 56 -5.035 2.492 -1.242 1.00 0.00 C ATOM 855 CD GLU A 56 -5.229 0.990 -1.325 1.00 0.00 C ATOM 856 OE1 GLU A 56 -6.083 0.538 -2.117 1.00 0.00 O ATOM 857 OE2 GLU A 56 -4.542 0.258 -0.587 1.00 0.00 O ATOM 0 H GLU A 56 -2.740 4.757 -3.074 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.526 2.312 -1.760 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.484 4.176 -2.434 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.972 2.769 -3.359 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.410 2.723 -0.380 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.001 2.966 -1.071 1.00 0.00 H new ATOM 864 N ASP A 57 -2.917 2.042 -5.023 1.00 0.00 N ATOM 865 CA ASP A 57 -2.855 1.108 -6.140 1.00 0.00 C ATOM 866 C ASP A 57 -1.452 0.528 -6.270 1.00 0.00 C ATOM 867 O ASP A 57 -1.285 -0.649 -6.572 1.00 0.00 O ATOM 868 CB ASP A 57 -3.267 1.800 -7.442 1.00 0.00 C ATOM 869 CG ASP A 57 -3.443 0.830 -8.596 1.00 0.00 C ATOM 870 OD1 ASP A 57 -4.430 0.060 -8.583 1.00 0.00 O ATOM 871 OD2 ASP A 57 -2.609 0.844 -9.527 1.00 0.00 O ATOM 0 H ASP A 57 -3.046 3.016 -5.296 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.552 0.293 -5.946 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.201 2.339 -7.281 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.513 2.541 -7.708 1.00 0.00 H new ATOM 876 N LEU A 58 -0.450 1.358 -6.010 1.00 0.00 N ATOM 877 CA LEU A 58 0.940 0.919 -6.046 1.00 0.00 C ATOM 878 C LEU A 58 1.215 -0.087 -4.943 1.00 0.00 C ATOM 879 O LEU A 58 1.742 -1.170 -5.191 1.00 0.00 O ATOM 880 CB LEU A 58 1.888 2.110 -5.894 1.00 0.00 C ATOM 881 CG LEU A 58 2.112 2.934 -7.159 1.00 0.00 C ATOM 882 CD1 LEU A 58 3.076 4.076 -6.882 1.00 0.00 C ATOM 883 CD2 LEU A 58 2.635 2.053 -8.283 1.00 0.00 C ATOM 0 H LEU A 58 -0.574 2.342 -5.771 1.00 0.00 H new ATOM 0 HA LEU A 58 1.113 0.445 -7.012 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.497 2.767 -5.117 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.853 1.742 -5.545 1.00 0.00 H new ATOM 0 HG LEU A 58 1.157 3.357 -7.471 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.226 4.655 -7.793 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.663 4.721 -6.106 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.032 3.672 -6.547 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.789 2.657 -9.177 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.581 1.603 -7.982 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.910 1.267 -8.496 1.00 0.00 H new ATOM 895 N ILE A 59 0.833 0.278 -3.728 1.00 0.00 N ATOM 896 CA ILE A 59 1.064 -0.555 -2.556 1.00 0.00 C ATOM 897 C ILE A 59 0.307 -1.874 -2.692 1.00 0.00 C ATOM 898 O ILE A 59 0.796 -2.936 -2.302 1.00 0.00 O ATOM 899 CB ILE A 59 0.629 0.185 -1.272 1.00 0.00 C ATOM 900 CG1 ILE A 59 1.389 1.511 -1.151 1.00 0.00 C ATOM 901 CG2 ILE A 59 0.882 -0.686 -0.048 1.00 0.00 C ATOM 902 CD1 ILE A 59 0.634 2.585 -0.392 1.00 0.00 C ATOM 0 H ILE A 59 0.356 1.157 -3.527 1.00 0.00 H new ATOM 0 HA ILE A 59 2.131 -0.768 -2.485 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.439 0.396 -1.330 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.341 1.329 -0.652 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.618 1.880 -2.151 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.571 -0.152 0.850 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.312 -1.611 -0.136 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.945 -0.920 0.019 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.237 3.492 -0.349 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.306 2.798 -0.901 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.428 2.238 0.621 1.00 0.00 H new ATOM 914 N LYS A 60 -0.881 -1.793 -3.275 1.00 0.00 N ATOM 915 CA LYS A 60 -1.699 -2.966 -3.530 1.00 0.00 C ATOM 916 C LYS A 60 -1.062 -3.838 -4.601 1.00 0.00 C ATOM 917 O LYS A 60 -0.900 -5.041 -4.422 1.00 0.00 O ATOM 918 CB LYS A 60 -3.092 -2.534 -3.984 1.00 0.00 C ATOM 919 CG LYS A 60 -4.086 -3.674 -4.095 1.00 0.00 C ATOM 920 CD LYS A 60 -5.366 -3.225 -4.783 1.00 0.00 C ATOM 921 CE LYS A 60 -5.941 -1.963 -4.153 1.00 0.00 C ATOM 922 NZ LYS A 60 -6.355 -2.174 -2.741 1.00 0.00 N ATOM 0 H LYS A 60 -1.301 -0.916 -3.582 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.777 -3.543 -2.608 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.479 -1.795 -3.282 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.011 -2.041 -4.953 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.639 -4.496 -4.654 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -4.319 -4.054 -3.100 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.165 -3.044 -5.839 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.105 -4.025 -4.731 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.197 -1.167 -4.196 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.800 -1.628 -4.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.514 -1.253 -2.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -7.234 -2.729 -2.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.607 -2.688 -2.233 1.00 0.00 H new ATOM 936 N LYS A 61 -0.683 -3.215 -5.708 1.00 0.00 N ATOM 937 CA LYS A 61 -0.144 -3.936 -6.853 1.00 0.00 C ATOM 938 C LYS A 61 1.212 -4.547 -6.529 1.00 0.00 C ATOM 939 O LYS A 61 1.542 -5.628 -7.004 1.00 0.00 O ATOM 940 CB LYS A 61 -0.038 -2.999 -8.051 1.00 0.00 C ATOM 941 CG LYS A 61 -0.743 -3.536 -9.272 1.00 0.00 C ATOM 942 CD LYS A 61 -0.801 -2.517 -10.397 1.00 0.00 C ATOM 943 CE LYS A 61 0.583 -2.147 -10.890 1.00 0.00 C ATOM 944 NZ LYS A 61 0.523 -1.336 -12.132 1.00 0.00 N ATOM 0 H LYS A 61 -0.739 -2.205 -5.838 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.824 -4.752 -7.099 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.462 -2.030 -7.788 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.013 -2.834 -8.286 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.229 -4.431 -9.622 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.756 -3.835 -9.002 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.386 -2.920 -11.224 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.315 -1.621 -10.050 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.108 -1.588 -10.115 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.158 -3.054 -11.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.488 -1.101 -12.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.044 -1.879 -12.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.005 -0.459 -11.949 1.00 0.00 H new ATOM 958 N ALA A 62 2.000 -3.836 -5.743 1.00 0.00 N ATOM 959 CA ALA A 62 3.234 -4.383 -5.185 1.00 0.00 C ATOM 960 C ALA A 62 2.953 -5.668 -4.405 1.00 0.00 C ATOM 961 O ALA A 62 3.625 -6.683 -4.595 1.00 0.00 O ATOM 962 CB ALA A 62 3.908 -3.355 -4.289 1.00 0.00 C ATOM 0 H ALA A 62 1.810 -2.871 -5.472 1.00 0.00 H new ATOM 0 HA ALA A 62 3.906 -4.624 -6.008 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.826 -3.776 -3.880 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.145 -2.464 -4.871 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.236 -3.087 -3.473 1.00 0.00 H new ATOM 968 N ASP A 63 1.942 -5.619 -3.542 1.00 0.00 N ATOM 969 CA ASP A 63 1.533 -6.782 -2.754 1.00 0.00 C ATOM 970 C ASP A 63 1.042 -7.892 -3.681 1.00 0.00 C ATOM 971 O ASP A 63 1.275 -9.076 -3.438 1.00 0.00 O ATOM 972 CB ASP A 63 0.425 -6.385 -1.769 1.00 0.00 C ATOM 973 CG ASP A 63 0.090 -7.473 -0.765 1.00 0.00 C ATOM 974 OD1 ASP A 63 -0.729 -8.361 -1.088 1.00 0.00 O ATOM 975 OD2 ASP A 63 0.617 -7.424 0.368 1.00 0.00 O ATOM 0 H ASP A 63 1.387 -4.781 -3.369 1.00 0.00 H new ATOM 0 HA ASP A 63 2.390 -7.149 -2.189 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.732 -5.488 -1.232 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.474 -6.129 -2.330 1.00 0.00 H new ATOM 980 N GLU A 64 0.380 -7.486 -4.758 1.00 0.00 N ATOM 981 CA GLU A 64 -0.104 -8.409 -5.781 1.00 0.00 C ATOM 982 C GLU A 64 1.062 -9.029 -6.551 1.00 0.00 C ATOM 983 O GLU A 64 1.030 -10.205 -6.913 1.00 0.00 O ATOM 984 CB GLU A 64 -1.022 -7.675 -6.766 1.00 0.00 C ATOM 985 CG GLU A 64 -2.328 -7.197 -6.173 1.00 0.00 C ATOM 986 CD GLU A 64 -3.279 -6.671 -7.229 1.00 0.00 C ATOM 987 OE1 GLU A 64 -2.879 -5.785 -8.011 1.00 0.00 O ATOM 988 OE2 GLU A 64 -4.424 -7.162 -7.301 1.00 0.00 O ATOM 0 H GLU A 64 0.163 -6.508 -4.948 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.661 -9.201 -5.280 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.486 -6.816 -7.171 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.239 -8.339 -7.603 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.803 -8.018 -5.636 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.128 -6.412 -5.444 1.00 0.00 H new ATOM 995 N LYS A 65 2.078 -8.216 -6.805 1.00 0.00 N ATOM 996 CA LYS A 65 3.246 -8.634 -7.569 1.00 0.00 C ATOM 997 C LYS A 65 4.098 -9.601 -6.753 1.00 0.00 C ATOM 998 O LYS A 65 4.828 -10.425 -7.307 1.00 0.00 O ATOM 999 CB LYS A 65 4.065 -7.399 -7.954 1.00 0.00 C ATOM 1000 CG LYS A 65 4.895 -7.562 -9.216 1.00 0.00 C ATOM 1001 CD LYS A 65 5.680 -6.291 -9.518 1.00 0.00 C ATOM 1002 CE LYS A 65 6.299 -6.316 -10.909 1.00 0.00 C ATOM 1003 NZ LYS A 65 7.180 -7.493 -11.116 1.00 0.00 N ATOM 0 H LYS A 65 2.116 -7.248 -6.487 1.00 0.00 H new ATOM 0 HA LYS A 65 2.920 -9.148 -8.473 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.387 -6.556 -8.087 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.729 -7.147 -7.127 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.582 -8.400 -9.098 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.243 -7.800 -10.057 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.019 -5.428 -9.431 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.467 -6.166 -8.774 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.506 -6.324 -11.657 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.874 -5.403 -11.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.656 -7.413 -12.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.893 -7.530 -10.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.609 -8.362 -11.096 1.00 0.00 H new ATOM 1017 N GLY A 66 3.990 -9.499 -5.435 1.00 0.00 N ATOM 1018 CA GLY A 66 4.720 -10.397 -4.565 1.00 0.00 C ATOM 1019 C GLY A 66 5.777 -9.694 -3.741 1.00 0.00 C ATOM 1020 O GLY A 66 6.826 -10.268 -3.443 1.00 0.00 O ATOM 0 H GLY A 66 3.410 -8.811 -4.954 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.019 -10.896 -3.896 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.193 -11.173 -5.167 1.00 0.00 H new ATOM 1024 N ALA A 67 5.509 -8.449 -3.377 1.00 0.00 N ATOM 1025 CA ALA A 67 6.428 -7.685 -2.551 1.00 0.00 C ATOM 1026 C ALA A 67 6.077 -7.818 -1.075 1.00 0.00 C ATOM 1027 O ALA A 67 4.912 -7.988 -0.719 1.00 0.00 O ATOM 1028 CB ALA A 67 6.417 -6.221 -2.961 1.00 0.00 C ATOM 0 H ALA A 67 4.661 -7.947 -3.642 1.00 0.00 H new ATOM 0 HA ALA A 67 7.430 -8.088 -2.702 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.111 -5.662 -2.333 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.721 -6.133 -4.004 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.412 -5.817 -2.840 1.00 0.00 H new ATOM 1034 N ASP A 68 7.090 -7.743 -0.227 1.00 0.00 N ATOM 1035 CA ASP A 68 6.892 -7.834 1.213 1.00 0.00 C ATOM 1036 C ASP A 68 7.161 -6.495 1.869 1.00 0.00 C ATOM 1037 O ASP A 68 6.552 -6.144 2.866 1.00 0.00 O ATOM 1038 CB ASP A 68 7.812 -8.889 1.811 1.00 0.00 C ATOM 1039 CG ASP A 68 7.559 -9.111 3.290 1.00 0.00 C ATOM 1040 OD1 ASP A 68 6.536 -9.739 3.643 1.00 0.00 O ATOM 1041 OD2 ASP A 68 8.403 -8.697 4.116 1.00 0.00 O ATOM 0 H ASP A 68 8.062 -7.619 -0.511 1.00 0.00 H new ATOM 0 HA ASP A 68 5.856 -8.120 1.397 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.676 -9.830 1.277 1.00 0.00 H new ATOM 0 HB3 ASP A 68 8.849 -8.587 1.665 1.00 0.00 H new ATOM 1046 N VAL A 69 8.101 -5.760 1.318 1.00 0.00 N ATOM 1047 CA VAL A 69 8.384 -4.412 1.785 1.00 0.00 C ATOM 1048 C VAL A 69 8.336 -3.434 0.627 1.00 0.00 C ATOM 1049 O VAL A 69 8.781 -3.754 -0.479 1.00 0.00 O ATOM 1050 CB VAL A 69 9.751 -4.330 2.499 1.00 0.00 C ATOM 1051 CG1 VAL A 69 10.271 -2.902 2.555 1.00 0.00 C ATOM 1052 CG2 VAL A 69 9.635 -4.897 3.900 1.00 0.00 C ATOM 0 H VAL A 69 8.687 -6.070 0.543 1.00 0.00 H new ATOM 0 HA VAL A 69 7.616 -4.145 2.511 1.00 0.00 H new ATOM 0 HB VAL A 69 10.465 -4.920 1.924 1.00 0.00 H new ATOM 0 HG11 VAL A 69 11.234 -2.885 3.065 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.390 -2.518 1.542 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.562 -2.278 3.099 1.00 0.00 H new ATOM 0 HG21 VAL A 69 10.603 -4.836 4.398 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.899 -4.324 4.465 1.00 0.00 H new ATOM 0 HG23 VAL A 69 9.320 -5.939 3.846 1.00 0.00 H new ATOM 1062 N VAL A 70 7.802 -2.244 0.875 1.00 0.00 N ATOM 1063 CA VAL A 70 7.715 -1.235 -0.165 1.00 0.00 C ATOM 1064 C VAL A 70 8.438 0.031 0.275 1.00 0.00 C ATOM 1065 O VAL A 70 8.402 0.407 1.449 1.00 0.00 O ATOM 1066 CB VAL A 70 6.247 -0.894 -0.528 1.00 0.00 C ATOM 1067 CG1 VAL A 70 5.524 -2.120 -1.062 1.00 0.00 C ATOM 1068 CG2 VAL A 70 5.504 -0.332 0.670 1.00 0.00 C ATOM 0 H VAL A 70 7.427 -1.959 1.780 1.00 0.00 H new ATOM 0 HA VAL A 70 8.191 -1.646 -1.055 1.00 0.00 H new ATOM 0 HB VAL A 70 6.268 -0.133 -1.308 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.496 -1.857 -1.310 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.032 -2.481 -1.956 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.525 -2.902 -0.303 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.477 -0.102 0.386 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.502 -1.067 1.475 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.999 0.577 1.011 1.00 0.00 H new ATOM 1078 N VAL A 71 9.102 0.678 -0.663 1.00 0.00 N ATOM 1079 CA VAL A 71 9.779 1.933 -0.392 1.00 0.00 C ATOM 1080 C VAL A 71 9.161 3.034 -1.234 1.00 0.00 C ATOM 1081 O VAL A 71 9.401 3.125 -2.440 1.00 0.00 O ATOM 1082 CB VAL A 71 11.292 1.846 -0.682 1.00 0.00 C ATOM 1083 CG1 VAL A 71 11.982 3.158 -0.354 1.00 0.00 C ATOM 1084 CG2 VAL A 71 11.928 0.705 0.098 1.00 0.00 C ATOM 0 H VAL A 71 9.188 0.353 -1.626 1.00 0.00 H new ATOM 0 HA VAL A 71 9.657 2.156 0.668 1.00 0.00 H new ATOM 0 HB VAL A 71 11.417 1.648 -1.746 1.00 0.00 H new ATOM 0 HG11 VAL A 71 13.048 3.072 -0.567 1.00 0.00 H new ATOM 0 HG12 VAL A 71 11.554 3.956 -0.961 1.00 0.00 H new ATOM 0 HG13 VAL A 71 11.840 3.390 0.702 1.00 0.00 H new ATOM 0 HG21 VAL A 71 12.995 0.664 -0.123 1.00 0.00 H new ATOM 0 HG22 VAL A 71 11.785 0.870 1.166 1.00 0.00 H new ATOM 0 HG23 VAL A 71 11.461 -0.237 -0.190 1.00 0.00 H new ATOM 1094 N LEU A 72 8.344 3.849 -0.597 1.00 0.00 N ATOM 1095 CA LEU A 72 7.651 4.917 -1.288 1.00 0.00 C ATOM 1096 C LEU A 72 8.579 6.101 -1.519 1.00 0.00 C ATOM 1097 O LEU A 72 8.652 7.022 -0.702 1.00 0.00 O ATOM 1098 CB LEU A 72 6.415 5.362 -0.503 1.00 0.00 C ATOM 1099 CG LEU A 72 5.347 4.286 -0.302 1.00 0.00 C ATOM 1100 CD1 LEU A 72 4.191 4.824 0.525 1.00 0.00 C ATOM 1101 CD2 LEU A 72 4.848 3.777 -1.643 1.00 0.00 C ATOM 0 H LEU A 72 8.144 3.791 0.401 1.00 0.00 H new ATOM 0 HA LEU A 72 7.327 4.534 -2.256 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.736 5.720 0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.962 6.208 -1.019 1.00 0.00 H new ATOM 0 HG LEU A 72 5.797 3.454 0.240 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.443 4.042 0.656 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.559 5.142 1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.742 5.674 0.012 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.089 3.012 -1.482 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.417 4.603 -2.208 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.680 3.350 -2.203 1.00 0.00 H new ATOM 1113 N THR A 73 9.321 6.049 -2.615 1.00 0.00 N ATOM 1114 CA THR A 73 10.139 7.173 -3.034 1.00 0.00 C ATOM 1115 C THR A 73 9.265 8.228 -3.695 1.00 0.00 C ATOM 1116 O THR A 73 9.659 9.386 -3.847 1.00 0.00 O ATOM 1117 CB THR A 73 11.231 6.715 -4.012 1.00 0.00 C ATOM 1118 OG1 THR A 73 10.743 5.628 -4.808 1.00 0.00 O ATOM 1119 CG2 THR A 73 12.486 6.286 -3.269 1.00 0.00 C ATOM 0 H THR A 73 9.372 5.237 -3.231 1.00 0.00 H new ATOM 0 HA THR A 73 10.619 7.599 -2.153 1.00 0.00 H new ATOM 0 HB THR A 73 11.487 7.555 -4.657 1.00 0.00 H new ATOM 0 HG1 THR A 73 11.442 5.340 -5.432 1.00 0.00 H new ATOM 0 HG21 THR A 73 13.242 5.967 -3.986 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.869 7.124 -2.687 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.248 5.459 -2.600 1.00 0.00 H new ATOM 1127 N SER A 74 8.072 7.791 -4.080 1.00 0.00 N ATOM 1128 CA SER A 74 7.065 8.643 -4.694 1.00 0.00 C ATOM 1129 C SER A 74 6.835 9.908 -3.889 1.00 0.00 C ATOM 1130 O SER A 74 6.564 9.854 -2.686 1.00 0.00 O ATOM 1131 CB SER A 74 5.750 7.873 -4.820 1.00 0.00 C ATOM 1132 OG SER A 74 5.350 7.341 -3.567 1.00 0.00 O ATOM 0 H SER A 74 7.774 6.821 -3.972 1.00 0.00 H new ATOM 0 HA SER A 74 7.427 8.932 -5.681 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.973 8.534 -5.203 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.866 7.065 -5.542 1.00 0.00 H new ATOM 0 HG SER A 74 5.559 7.983 -2.857 1.00 0.00 H new ATOM 1138 N GLY A 75 6.955 11.042 -4.554 1.00 0.00 N ATOM 1139 CA GLY A 75 6.645 12.297 -3.909 1.00 0.00 C ATOM 1140 C GLY A 75 5.151 12.467 -3.734 1.00 0.00 C ATOM 1141 O GLY A 75 4.586 12.112 -2.696 1.00 0.00 O ATOM 0 H GLY A 75 7.260 11.117 -5.524 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.135 12.340 -2.936 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.041 13.121 -4.502 1.00 0.00 H new ATOM 1145 N GLN A 76 4.507 12.977 -4.769 1.00 0.00 N ATOM 1146 CA GLN A 76 3.070 13.164 -4.760 1.00 0.00 C ATOM 1147 C GLN A 76 2.574 13.280 -6.192 1.00 0.00 C ATOM 1148 O GLN A 76 1.792 12.450 -6.647 1.00 0.00 O ATOM 1149 CB GLN A 76 2.711 14.400 -3.932 1.00 0.00 C ATOM 1150 CG GLN A 76 1.220 14.616 -3.751 1.00 0.00 C ATOM 1151 CD GLN A 76 0.922 15.494 -2.553 1.00 0.00 C ATOM 1152 OE1 GLN A 76 1.645 15.468 -1.555 1.00 0.00 O ATOM 1153 NE2 GLN A 76 -0.133 16.284 -2.635 1.00 0.00 N ATOM 0 H GLN A 76 4.963 13.271 -5.633 1.00 0.00 H new ATOM 0 HA GLN A 76 2.581 12.307 -4.297 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.176 14.313 -2.950 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.139 15.281 -4.411 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.807 15.074 -4.650 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.725 13.653 -3.628 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -0.709 16.280 -3.477 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -0.372 16.899 -1.857 1.00 0.00 H new ATOM 1162 N THR A 77 3.074 14.295 -6.889 1.00 0.00 N ATOM 1163 CA THR A 77 2.812 14.492 -8.313 1.00 0.00 C ATOM 1164 C THR A 77 1.313 14.483 -8.616 1.00 0.00 C ATOM 1165 O THR A 77 0.737 13.452 -8.961 1.00 0.00 O ATOM 1166 CB THR A 77 3.527 13.422 -9.160 1.00 0.00 C ATOM 1167 OG1 THR A 77 4.857 13.213 -8.659 1.00 0.00 O ATOM 1168 CG2 THR A 77 3.599 13.846 -10.619 1.00 0.00 C ATOM 0 H THR A 77 3.676 15.009 -6.480 1.00 0.00 H new ATOM 0 HA THR A 77 3.207 15.472 -8.579 1.00 0.00 H new ATOM 0 HB THR A 77 2.957 12.495 -9.092 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.307 12.531 -9.200 1.00 0.00 H new ATOM 0 HG21 THR A 77 4.108 13.075 -11.197 1.00 0.00 H new ATOM 0 HG22 THR A 77 2.590 13.985 -11.008 1.00 0.00 H new ATOM 0 HG23 THR A 77 4.151 14.783 -10.699 1.00 0.00 H new ATOM 1176 N GLU A 78 0.690 15.641 -8.498 1.00 0.00 N ATOM 1177 CA GLU A 78 -0.757 15.745 -8.599 1.00 0.00 C ATOM 1178 C GLU A 78 -1.202 16.012 -10.031 1.00 0.00 C ATOM 1179 O GLU A 78 -2.352 15.747 -10.385 1.00 0.00 O ATOM 1180 CB GLU A 78 -1.253 16.851 -7.677 1.00 0.00 C ATOM 1181 CG GLU A 78 -0.909 16.608 -6.220 1.00 0.00 C ATOM 1182 CD GLU A 78 -1.365 17.731 -5.321 1.00 0.00 C ATOM 1183 OE1 GLU A 78 -0.893 18.873 -5.505 1.00 0.00 O ATOM 1184 OE2 GLU A 78 -2.183 17.476 -4.411 1.00 0.00 O ATOM 0 H GLU A 78 1.165 16.528 -8.331 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.190 14.792 -8.294 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.821 17.801 -7.993 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.334 16.943 -7.779 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.369 15.676 -5.892 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.169 16.483 -6.121 1.00 0.00 H new ATOM 1191 N ASN A 79 -0.283 16.547 -10.829 1.00 0.00 N ATOM 1192 CA ASN A 79 -0.522 16.842 -12.243 1.00 0.00 C ATOM 1193 C ASN A 79 -1.240 15.684 -12.942 1.00 0.00 C ATOM 1194 O ASN A 79 -2.431 15.771 -13.251 1.00 0.00 O ATOM 1195 CB ASN A 79 0.816 17.120 -12.934 1.00 0.00 C ATOM 1196 CG ASN A 79 0.653 17.610 -14.356 1.00 0.00 C ATOM 1197 OD1 ASN A 79 0.583 16.820 -15.296 1.00 0.00 O ATOM 1198 ND2 ASN A 79 0.605 18.919 -14.522 1.00 0.00 N ATOM 0 H ASN A 79 0.656 16.791 -10.513 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.165 17.720 -12.309 1.00 0.00 H new ATOM 0 HB2 ASN A 79 1.368 17.864 -12.360 1.00 0.00 H new ATOM 0 HB3 ASN A 79 1.415 16.209 -12.935 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.506 19.311 -15.458 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.667 19.538 -13.714 1.00 0.00 H new ATOM 1205 N LYS A 80 -0.513 14.605 -13.188 1.00 0.00 N ATOM 1206 CA LYS A 80 -1.102 13.392 -13.737 1.00 0.00 C ATOM 1207 C LYS A 80 -0.413 12.178 -13.124 1.00 0.00 C ATOM 1208 O LYS A 80 -0.560 11.044 -13.591 1.00 0.00 O ATOM 1209 CB LYS A 80 -0.989 13.386 -15.265 1.00 0.00 C ATOM 1210 CG LYS A 80 0.438 13.325 -15.782 1.00 0.00 C ATOM 1211 CD LYS A 80 0.505 13.542 -17.290 1.00 0.00 C ATOM 1212 CE LYS A 80 -0.503 12.683 -18.049 1.00 0.00 C ATOM 1213 NZ LYS A 80 -0.314 11.230 -17.798 1.00 0.00 N ATOM 0 H LYS A 80 0.490 14.544 -13.015 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.163 13.354 -13.488 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.542 12.532 -15.656 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.468 14.283 -15.657 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.039 14.082 -15.279 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.873 12.357 -15.535 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.321 14.593 -17.511 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.511 13.313 -17.643 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.513 12.971 -17.758 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -0.411 12.879 -19.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.450 10.704 -18.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 0.648 11.062 -17.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.008 10.906 -17.094 1.00 0.00 H new ATOM 1227 N ILE A 81 0.310 12.456 -12.039 1.00 0.00 N ATOM 1228 CA ILE A 81 1.048 11.459 -11.267 1.00 0.00 C ATOM 1229 C ILE A 81 2.199 10.837 -12.054 1.00 0.00 C ATOM 1230 O ILE A 81 2.168 10.709 -13.279 1.00 0.00 O ATOM 1231 CB ILE A 81 0.146 10.331 -10.718 1.00 0.00 C ATOM 1232 CG1 ILE A 81 -1.186 10.893 -10.211 1.00 0.00 C ATOM 1233 CG2 ILE A 81 0.853 9.591 -9.587 1.00 0.00 C ATOM 1234 CD1 ILE A 81 -2.109 9.837 -9.654 1.00 0.00 C ATOM 0 H ILE A 81 0.400 13.401 -11.665 1.00 0.00 H new ATOM 0 HA ILE A 81 1.458 12.016 -10.424 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.056 9.636 -11.533 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.988 11.636 -9.438 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.689 11.410 -11.029 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.206 8.799 -9.210 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.780 9.155 -9.961 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.079 10.289 -8.781 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.033 10.304 -9.313 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.337 9.107 -10.430 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.625 9.336 -8.815 1.00 0.00 H new ATOM 1246 N HIS A 82 3.218 10.468 -11.309 1.00 0.00 N ATOM 1247 CA HIS A 82 4.392 9.801 -11.837 1.00 0.00 C ATOM 1248 C HIS A 82 5.149 9.196 -10.658 1.00 0.00 C ATOM 1249 O HIS A 82 6.373 9.056 -10.676 1.00 0.00 O ATOM 1250 CB HIS A 82 5.274 10.787 -12.625 1.00 0.00 C ATOM 1251 CG HIS A 82 6.414 10.133 -13.348 1.00 0.00 C ATOM 1252 ND1 HIS A 82 7.716 10.581 -13.268 1.00 0.00 N ATOM 1253 CD2 HIS A 82 6.442 9.052 -14.164 1.00 0.00 C ATOM 1254 CE1 HIS A 82 8.492 9.804 -13.999 1.00 0.00 C ATOM 1255 NE2 HIS A 82 7.745 8.870 -14.552 1.00 0.00 N ATOM 0 H HIS A 82 3.256 10.625 -10.302 1.00 0.00 H new ATOM 0 HA HIS A 82 4.103 9.015 -12.535 1.00 0.00 H new ATOM 0 HB2 HIS A 82 4.654 11.317 -13.348 1.00 0.00 H new ATOM 0 HB3 HIS A 82 5.672 11.534 -11.938 1.00 0.00 H new ATOM 0 HD2 HIS A 82 5.596 8.447 -14.455 1.00 0.00 H new ATOM 0 HE1 HIS A 82 9.559 9.915 -14.123 1.00 0.00 H new ATOM 0 HE2 HIS A 82 8.081 8.131 -15.169 1.00 0.00 H new ATOM 1264 N GLY A 83 4.387 8.815 -9.636 1.00 0.00 N ATOM 1265 CA GLY A 83 4.976 8.343 -8.403 1.00 0.00 C ATOM 1266 C GLY A 83 5.655 7.014 -8.577 1.00 0.00 C ATOM 1267 O GLY A 83 5.174 6.155 -9.317 1.00 0.00 O ATOM 0 H GLY A 83 3.367 8.827 -9.644 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.699 9.075 -8.043 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.202 8.258 -7.641 1.00 0.00 H new ATOM 1271 N THR A 84 6.779 6.852 -7.911 1.00 0.00 N ATOM 1272 CA THR A 84 7.553 5.630 -8.023 1.00 0.00 C ATOM 1273 C THR A 84 7.656 4.937 -6.671 1.00 0.00 C ATOM 1274 O THR A 84 7.658 5.587 -5.631 1.00 0.00 O ATOM 1275 CB THR A 84 8.967 5.930 -8.546 1.00 0.00 C ATOM 1276 OG1 THR A 84 8.954 7.157 -9.294 1.00 0.00 O ATOM 1277 CG2 THR A 84 9.469 4.805 -9.437 1.00 0.00 C ATOM 0 H THR A 84 7.179 7.551 -7.285 1.00 0.00 H new ATOM 0 HA THR A 84 7.041 4.974 -8.727 1.00 0.00 H new ATOM 0 HB THR A 84 9.636 6.021 -7.690 1.00 0.00 H new ATOM 0 HG1 THR A 84 9.856 7.348 -9.625 1.00 0.00 H new ATOM 0 HG21 THR A 84 10.471 5.043 -9.793 1.00 0.00 H new ATOM 0 HG22 THR A 84 9.497 3.875 -8.868 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.799 4.689 -10.289 1.00 0.00 H new ATOM 1285 N ALA A 85 7.731 3.623 -6.687 1.00 0.00 N ATOM 1286 CA ALA A 85 7.907 2.864 -5.463 1.00 0.00 C ATOM 1287 C ALA A 85 8.833 1.690 -5.720 1.00 0.00 C ATOM 1288 O ALA A 85 8.664 0.957 -6.691 1.00 0.00 O ATOM 1289 CB ALA A 85 6.565 2.383 -4.930 1.00 0.00 C ATOM 0 H ALA A 85 7.673 3.056 -7.533 1.00 0.00 H new ATOM 0 HA ALA A 85 8.355 3.510 -4.708 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.720 1.816 -4.012 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.927 3.242 -4.723 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.086 1.746 -5.673 1.00 0.00 H new ATOM 1295 N ASP A 86 9.802 1.507 -4.848 1.00 0.00 N ATOM 1296 CA ASP A 86 10.780 0.446 -5.023 1.00 0.00 C ATOM 1297 C ASP A 86 10.539 -0.640 -3.994 1.00 0.00 C ATOM 1298 O ASP A 86 10.531 -0.375 -2.793 1.00 0.00 O ATOM 1299 CB ASP A 86 12.186 1.019 -4.906 1.00 0.00 C ATOM 1300 CG ASP A 86 13.266 0.045 -5.316 1.00 0.00 C ATOM 1301 OD1 ASP A 86 13.290 -0.363 -6.497 1.00 0.00 O ATOM 1302 OD2 ASP A 86 14.111 -0.295 -4.466 1.00 0.00 O ATOM 0 H ASP A 86 9.936 2.076 -4.012 1.00 0.00 H new ATOM 0 HA ASP A 86 10.677 0.005 -6.015 1.00 0.00 H new ATOM 0 HB2 ASP A 86 12.259 1.913 -5.525 1.00 0.00 H new ATOM 0 HB3 ASP A 86 12.359 1.330 -3.876 1.00 0.00 H new ATOM 1307 N ILE A 87 10.318 -1.858 -4.466 1.00 0.00 N ATOM 1308 CA ILE A 87 9.832 -2.920 -3.599 1.00 0.00 C ATOM 1309 C ILE A 87 10.828 -4.066 -3.443 1.00 0.00 C ATOM 1310 O ILE A 87 11.660 -4.327 -4.319 1.00 0.00 O ATOM 1311 CB ILE A 87 8.476 -3.468 -4.096 1.00 0.00 C ATOM 1312 CG1 ILE A 87 8.590 -4.002 -5.530 1.00 0.00 C ATOM 1313 CG2 ILE A 87 7.416 -2.381 -4.017 1.00 0.00 C ATOM 1314 CD1 ILE A 87 7.288 -4.541 -6.086 1.00 0.00 C ATOM 0 H ILE A 87 10.466 -2.134 -5.437 1.00 0.00 H new ATOM 0 HA ILE A 87 9.701 -2.468 -2.616 1.00 0.00 H new ATOM 0 HB ILE A 87 8.183 -4.297 -3.452 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.948 -3.202 -6.178 1.00 0.00 H new ATOM 0 HG13 ILE A 87 9.340 -4.792 -5.555 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.463 -2.776 -4.369 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.312 -2.049 -2.984 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.712 -1.538 -4.641 1.00 0.00 H new ATOM 0 HD11 ILE A 87 7.448 -4.900 -7.103 1.00 0.00 H new ATOM 0 HD12 ILE A 87 6.938 -5.363 -5.461 1.00 0.00 H new ATOM 0 HD13 ILE A 87 6.540 -3.748 -6.094 1.00 0.00 H new ATOM 1326 N TYR A 88 10.717 -4.752 -2.314 1.00 0.00 N ATOM 1327 CA TYR A 88 11.582 -5.876 -1.986 1.00 0.00 C ATOM 1328 C TYR A 88 10.755 -7.065 -1.519 1.00 0.00 C ATOM 1329 O TYR A 88 9.654 -6.897 -0.993 1.00 0.00 O ATOM 1330 CB TYR A 88 12.549 -5.506 -0.859 1.00 0.00 C ATOM 1331 CG TYR A 88 13.727 -4.650 -1.267 1.00 0.00 C ATOM 1332 CD1 TYR A 88 13.555 -3.355 -1.737 1.00 0.00 C ATOM 1333 CD2 TYR A 88 15.020 -5.144 -1.161 1.00 0.00 C ATOM 1334 CE1 TYR A 88 14.640 -2.576 -2.087 1.00 0.00 C ATOM 1335 CE2 TYR A 88 16.109 -4.373 -1.511 1.00 0.00 C ATOM 1336 CZ TYR A 88 15.915 -3.092 -1.976 1.00 0.00 C ATOM 1337 OH TYR A 88 16.998 -2.315 -2.315 1.00 0.00 O ATOM 0 H TYR A 88 10.022 -4.544 -1.597 1.00 0.00 H new ATOM 0 HA TYR A 88 12.139 -6.132 -2.887 1.00 0.00 H new ATOM 0 HB2 TYR A 88 11.992 -4.981 -0.083 1.00 0.00 H new ATOM 0 HB3 TYR A 88 12.928 -6.425 -0.412 1.00 0.00 H new ATOM 0 HD1 TYR A 88 12.558 -2.951 -1.830 1.00 0.00 H new ATOM 0 HD2 TYR A 88 15.176 -6.149 -0.798 1.00 0.00 H new ATOM 0 HE1 TYR A 88 14.492 -1.568 -2.446 1.00 0.00 H new ATOM 0 HE2 TYR A 88 17.108 -4.772 -1.421 1.00 0.00 H new ATOM 0 HH TYR A 88 16.989 -1.492 -1.783 1.00 0.00 H new ATOM 1347 N LYS A 89 11.288 -8.260 -1.708 1.00 0.00 N ATOM 1348 CA LYS A 89 10.729 -9.443 -1.087 1.00 0.00 C ATOM 1349 C LYS A 89 11.680 -9.918 -0.003 1.00 0.00 C ATOM 1350 O LYS A 89 12.891 -9.729 -0.116 1.00 0.00 O ATOM 1351 CB LYS A 89 10.489 -10.552 -2.096 1.00 0.00 C ATOM 1352 CG LYS A 89 11.730 -11.291 -2.540 1.00 0.00 C ATOM 1353 CD LYS A 89 11.336 -12.463 -3.406 1.00 0.00 C ATOM 1354 CE LYS A 89 12.542 -13.270 -3.860 1.00 0.00 C ATOM 1355 NZ LYS A 89 13.194 -13.982 -2.727 1.00 0.00 N ATOM 0 H LYS A 89 12.109 -8.434 -2.288 1.00 0.00 H new ATOM 0 HA LYS A 89 9.761 -9.186 -0.657 1.00 0.00 H new ATOM 0 HB2 LYS A 89 9.791 -11.270 -1.665 1.00 0.00 H new ATOM 0 HB3 LYS A 89 10.005 -10.125 -2.974 1.00 0.00 H new ATOM 0 HG2 LYS A 89 12.387 -10.620 -3.094 1.00 0.00 H new ATOM 0 HG3 LYS A 89 12.289 -11.639 -1.671 1.00 0.00 H new ATOM 0 HD2 LYS A 89 10.655 -13.110 -2.852 1.00 0.00 H new ATOM 0 HD3 LYS A 89 10.793 -12.102 -4.279 1.00 0.00 H new ATOM 0 HE2 LYS A 89 12.231 -13.994 -4.613 1.00 0.00 H new ATOM 0 HE3 LYS A 89 13.264 -12.606 -4.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 13.936 -14.612 -3.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 13.618 -13.288 -2.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 12.484 -14.544 -2.216 1.00 0.00 H new ATOM 1369 N LYS A 90 11.149 -10.508 1.050 1.00 0.00 N ATOM 1370 CA LYS A 90 11.982 -10.963 2.144 1.00 0.00 C ATOM 1371 C LYS A 90 12.769 -12.204 1.740 1.00 0.00 C ATOM 1372 O LYS A 90 12.389 -12.923 0.812 1.00 0.00 O ATOM 1373 CB LYS A 90 11.120 -11.238 3.375 1.00 0.00 C ATOM 1374 CG LYS A 90 10.226 -12.459 3.247 1.00 0.00 C ATOM 1375 CD LYS A 90 8.858 -12.204 3.852 1.00 0.00 C ATOM 1376 CE LYS A 90 8.957 -11.640 5.263 1.00 0.00 C ATOM 1377 NZ LYS A 90 7.677 -11.019 5.696 1.00 0.00 N ATOM 0 H LYS A 90 10.151 -10.682 1.170 1.00 0.00 H new ATOM 0 HA LYS A 90 12.699 -10.180 2.391 1.00 0.00 H new ATOM 0 HB2 LYS A 90 11.771 -11.367 4.240 1.00 0.00 H new ATOM 0 HB3 LYS A 90 10.498 -10.365 3.572 1.00 0.00 H new ATOM 0 HG2 LYS A 90 10.118 -12.725 2.195 1.00 0.00 H new ATOM 0 HG3 LYS A 90 10.694 -13.309 3.744 1.00 0.00 H new ATOM 0 HD2 LYS A 90 8.306 -11.508 3.221 1.00 0.00 H new ATOM 0 HD3 LYS A 90 8.291 -13.135 3.872 1.00 0.00 H new ATOM 0 HE2 LYS A 90 9.228 -12.437 5.956 1.00 0.00 H new ATOM 0 HE3 LYS A 90 9.754 -10.898 5.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.786 -10.631 6.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.423 -10.254 5.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.925 -11.738 5.697 1.00 0.00 H new ATOM 1391 N LYS A 91 13.881 -12.433 2.415 1.00 0.00 N ATOM 1392 CA LYS A 91 14.685 -13.615 2.169 1.00 0.00 C ATOM 1393 C LYS A 91 14.266 -14.745 3.097 1.00 0.00 C ATOM 1394 O LYS A 91 13.419 -14.571 3.971 1.00 0.00 O ATOM 1395 CB LYS A 91 16.169 -13.321 2.384 1.00 0.00 C ATOM 1396 CG LYS A 91 16.827 -12.506 1.284 1.00 0.00 C ATOM 1397 CD LYS A 91 18.268 -12.207 1.663 1.00 0.00 C ATOM 1398 CE LYS A 91 19.149 -11.906 0.457 1.00 0.00 C ATOM 1399 NZ LYS A 91 19.442 -13.123 -0.353 1.00 0.00 N ATOM 0 H LYS A 91 14.248 -11.815 3.139 1.00 0.00 H new ATOM 0 HA LYS A 91 14.526 -13.913 1.133 1.00 0.00 H new ATOM 0 HB2 LYS A 91 16.286 -12.790 3.329 1.00 0.00 H new ATOM 0 HB3 LYS A 91 16.701 -14.267 2.482 1.00 0.00 H new ATOM 0 HG2 LYS A 91 16.794 -13.054 0.342 1.00 0.00 H new ATOM 0 HG3 LYS A 91 16.280 -11.576 1.130 1.00 0.00 H new ATOM 0 HD2 LYS A 91 18.290 -11.356 2.344 1.00 0.00 H new ATOM 0 HD3 LYS A 91 18.680 -13.059 2.204 1.00 0.00 H new ATOM 0 HE2 LYS A 91 18.657 -11.164 -0.172 1.00 0.00 H new ATOM 0 HE3 LYS A 91 20.086 -11.465 0.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 20.099 -12.879 -1.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 19.874 -13.848 0.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 18.558 -13.492 -0.757 1.00 0.00 H new ATOM 1413 N LEU A 92 14.891 -15.895 2.911 1.00 0.00 N ATOM 1414 CA LEU A 92 14.670 -17.041 3.778 1.00 0.00 C ATOM 1415 C LEU A 92 15.896 -17.228 4.656 1.00 0.00 C ATOM 1416 O LEU A 92 16.010 -18.190 5.417 1.00 0.00 O ATOM 1417 CB LEU A 92 14.396 -18.319 2.966 1.00 0.00 C ATOM 1418 CG LEU A 92 15.560 -18.856 2.118 1.00 0.00 C ATOM 1419 CD1 LEU A 92 15.382 -20.347 1.868 1.00 0.00 C ATOM 1420 CD2 LEU A 92 15.663 -18.124 0.783 1.00 0.00 C ATOM 0 H LEU A 92 15.561 -16.061 2.160 1.00 0.00 H new ATOM 0 HA LEU A 92 13.790 -16.855 4.394 1.00 0.00 H new ATOM 0 HB2 LEU A 92 14.088 -19.103 3.658 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.551 -18.128 2.304 1.00 0.00 H new ATOM 0 HG LEU A 92 16.481 -18.684 2.675 1.00 0.00 H new ATOM 0 HD11 LEU A 92 16.212 -20.717 1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 92 15.361 -20.876 2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 92 14.445 -20.518 1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 92 16.496 -18.529 0.209 1.00 0.00 H new ATOM 0 HD22 LEU A 92 14.738 -18.257 0.223 1.00 0.00 H new ATOM 0 HD23 LEU A 92 15.828 -17.062 0.962 1.00 0.00 H new ATOM 1432 N GLU A 93 16.800 -16.270 4.538 1.00 0.00 N ATOM 1433 CA GLU A 93 18.075 -16.308 5.225 1.00 0.00 C ATOM 1434 C GLU A 93 18.047 -15.396 6.439 1.00 0.00 C ATOM 1435 O GLU A 93 17.232 -15.570 7.345 1.00 0.00 O ATOM 1436 CB GLU A 93 19.178 -15.870 4.262 1.00 0.00 C ATOM 1437 CG GLU A 93 19.183 -16.633 2.951 1.00 0.00 C ATOM 1438 CD GLU A 93 20.234 -16.115 1.998 1.00 0.00 C ATOM 1439 OE1 GLU A 93 21.408 -16.522 2.135 1.00 0.00 O ATOM 1440 OE2 GLU A 93 19.891 -15.299 1.116 1.00 0.00 O ATOM 0 H GLU A 93 16.667 -15.441 3.959 1.00 0.00 H new ATOM 0 HA GLU A 93 18.272 -17.325 5.564 1.00 0.00 H new ATOM 0 HB2 GLU A 93 19.064 -14.806 4.052 1.00 0.00 H new ATOM 0 HB3 GLU A 93 20.145 -15.997 4.749 1.00 0.00 H new ATOM 0 HG2 GLU A 93 19.362 -17.690 3.148 1.00 0.00 H new ATOM 0 HG3 GLU A 93 18.201 -16.557 2.484 1.00 0.00 H new ATOM 1447 N HIS A 94 18.940 -14.427 6.438 1.00 0.00 N ATOM 1448 CA HIS A 94 19.011 -13.435 7.503 1.00 0.00 C ATOM 1449 C HIS A 94 17.704 -12.669 7.645 1.00 0.00 C ATOM 1450 O HIS A 94 17.026 -12.380 6.661 1.00 0.00 O ATOM 1451 CB HIS A 94 20.157 -12.451 7.259 1.00 0.00 C ATOM 1452 CG HIS A 94 21.484 -12.938 7.746 1.00 0.00 C ATOM 1453 ND1 HIS A 94 22.155 -12.365 8.806 1.00 0.00 N ATOM 1454 CD2 HIS A 94 22.265 -13.956 7.319 1.00 0.00 C ATOM 1455 CE1 HIS A 94 23.287 -13.011 9.008 1.00 0.00 C ATOM 1456 NE2 HIS A 94 23.378 -13.980 8.119 1.00 0.00 N ATOM 0 H HIS A 94 19.637 -14.301 5.704 1.00 0.00 H new ATOM 0 HA HIS A 94 19.196 -13.977 8.430 1.00 0.00 H new ATOM 0 HB2 HIS A 94 20.226 -12.245 6.191 1.00 0.00 H new ATOM 0 HB3 HIS A 94 19.924 -11.507 7.751 1.00 0.00 H new ATOM 0 HD2 HIS A 94 22.051 -14.626 6.499 1.00 0.00 H new ATOM 0 HE1 HIS A 94 24.016 -12.784 9.772 1.00 0.00 H new ATOM 0 HE2 HIS A 94 24.151 -14.641 8.039 1.00 0.00 H new ATOM 1465 N HIS A 95 17.361 -12.381 8.892 1.00 0.00 N ATOM 1466 CA HIS A 95 16.207 -11.564 9.240 1.00 0.00 C ATOM 1467 C HIS A 95 16.258 -11.274 10.739 1.00 0.00 C ATOM 1468 O HIS A 95 16.149 -12.187 11.556 1.00 0.00 O ATOM 1469 CB HIS A 95 14.874 -12.236 8.837 1.00 0.00 C ATOM 1470 CG HIS A 95 14.630 -13.596 9.431 1.00 0.00 C ATOM 1471 ND1 HIS A 95 15.191 -14.750 8.936 1.00 0.00 N ATOM 1472 CD2 HIS A 95 13.869 -13.977 10.483 1.00 0.00 C ATOM 1473 CE1 HIS A 95 14.787 -15.778 9.654 1.00 0.00 C ATOM 1474 NE2 HIS A 95 13.984 -15.339 10.605 1.00 0.00 N ATOM 0 H HIS A 95 17.884 -12.713 9.702 1.00 0.00 H new ATOM 0 HA HIS A 95 16.249 -10.629 8.681 1.00 0.00 H new ATOM 0 HB2 HIS A 95 14.054 -11.579 9.127 1.00 0.00 H new ATOM 0 HB3 HIS A 95 14.844 -12.322 7.751 1.00 0.00 H new ATOM 0 HD1 HIS A 95 15.822 -14.802 8.137 1.00 0.00 H new ATOM 0 HD2 HIS A 95 13.279 -13.327 11.112 1.00 0.00 H new ATOM 0 HE1 HIS A 95 15.066 -16.808 9.491 1.00 0.00 H new ATOM 1483 N HIS A 96 16.476 -10.005 11.085 1.00 0.00 N ATOM 1484 CA HIS A 96 16.650 -9.584 12.481 1.00 0.00 C ATOM 1485 C HIS A 96 15.564 -10.155 13.389 1.00 0.00 C ATOM 1486 O HIS A 96 15.858 -10.781 14.405 1.00 0.00 O ATOM 1487 CB HIS A 96 16.637 -8.054 12.592 1.00 0.00 C ATOM 1488 CG HIS A 96 17.799 -7.371 11.935 1.00 0.00 C ATOM 1489 ND1 HIS A 96 17.676 -6.198 11.226 1.00 0.00 N ATOM 1490 CD2 HIS A 96 19.116 -7.687 11.910 1.00 0.00 C ATOM 1491 CE1 HIS A 96 18.863 -5.823 10.791 1.00 0.00 C ATOM 1492 NE2 HIS A 96 19.756 -6.709 11.193 1.00 0.00 N ATOM 0 H HIS A 96 16.537 -9.241 10.412 1.00 0.00 H new ATOM 0 HA HIS A 96 17.615 -9.971 12.807 1.00 0.00 H new ATOM 0 HB2 HIS A 96 15.714 -7.679 12.150 1.00 0.00 H new ATOM 0 HB3 HIS A 96 16.620 -7.779 13.647 1.00 0.00 H new ATOM 0 HD1 HIS A 96 16.803 -5.697 11.062 1.00 0.00 H new ATOM 0 HD2 HIS A 96 19.576 -8.549 12.369 1.00 0.00 H new ATOM 0 HE1 HIS A 96 19.070 -4.940 10.205 1.00 0.00 H new ATOM 1501 N HIS A 97 14.315 -9.937 12.997 1.00 0.00 N ATOM 1502 CA HIS A 97 13.150 -10.345 13.786 1.00 0.00 C ATOM 1503 C HIS A 97 11.881 -10.018 13.011 1.00 0.00 C ATOM 1504 O HIS A 97 10.877 -10.716 13.097 1.00 0.00 O ATOM 1505 CB HIS A 97 13.127 -9.655 15.172 1.00 0.00 C ATOM 1506 CG HIS A 97 13.467 -8.190 15.158 1.00 0.00 C ATOM 1507 ND1 HIS A 97 14.634 -7.685 15.684 1.00 0.00 N ATOM 1508 CD2 HIS A 97 12.797 -7.125 14.660 1.00 0.00 C ATOM 1509 CE1 HIS A 97 14.668 -6.379 15.507 1.00 0.00 C ATOM 1510 NE2 HIS A 97 13.565 -6.010 14.881 1.00 0.00 N ATOM 0 H HIS A 97 14.076 -9.471 12.121 1.00 0.00 H new ATOM 0 HA HIS A 97 13.211 -11.419 13.960 1.00 0.00 H new ATOM 0 HB2 HIS A 97 12.135 -9.778 15.606 1.00 0.00 H new ATOM 0 HB3 HIS A 97 13.829 -10.169 15.829 1.00 0.00 H new ATOM 0 HD2 HIS A 97 11.832 -7.149 14.176 1.00 0.00 H new ATOM 0 HE1 HIS A 97 15.465 -5.721 15.821 1.00 0.00 H new ATOM 0 HE2 HIS A 97 13.325 -5.057 14.608 1.00 0.00 H new ATOM 1519 N HIS A 98 11.972 -8.953 12.234 1.00 0.00 N ATOM 1520 CA HIS A 98 10.885 -8.472 11.396 1.00 0.00 C ATOM 1521 C HIS A 98 11.490 -7.432 10.473 1.00 0.00 C ATOM 1522 O HIS A 98 11.286 -7.442 9.264 1.00 0.00 O ATOM 1523 CB HIS A 98 9.767 -7.857 12.257 1.00 0.00 C ATOM 1524 CG HIS A 98 8.475 -7.613 11.528 1.00 0.00 C ATOM 1525 ND1 HIS A 98 7.272 -8.147 11.931 1.00 0.00 N ATOM 1526 CD2 HIS A 98 8.197 -6.862 10.439 1.00 0.00 C ATOM 1527 CE1 HIS A 98 6.316 -7.734 11.122 1.00 0.00 C ATOM 1528 NE2 HIS A 98 6.850 -6.950 10.206 1.00 0.00 N ATOM 0 H HIS A 98 12.818 -8.387 12.166 1.00 0.00 H new ATOM 0 HA HIS A 98 10.432 -9.285 10.828 1.00 0.00 H new ATOM 0 HB2 HIS A 98 9.573 -8.518 13.102 1.00 0.00 H new ATOM 0 HB3 HIS A 98 10.121 -6.911 12.667 1.00 0.00 H new ATOM 0 HD2 HIS A 98 8.909 -6.295 9.857 1.00 0.00 H new ATOM 0 HE1 HIS A 98 5.271 -7.994 11.197 1.00 0.00 H new ATOM 0 HE2 HIS A 98 6.345 -6.487 9.451 1.00 0.00 H new ATOM 1537 N HIS A 99 12.242 -6.540 11.099 1.00 0.00 N ATOM 1538 CA HIS A 99 13.152 -5.630 10.423 1.00 0.00 C ATOM 1539 C HIS A 99 14.063 -5.006 11.463 1.00 0.00 C ATOM 1540 O HIS A 99 15.284 -4.934 11.229 1.00 0.00 O ATOM 1541 CB HIS A 99 12.424 -4.550 9.602 1.00 0.00 C ATOM 1542 CG HIS A 99 11.341 -3.801 10.320 1.00 0.00 C ATOM 1543 ND1 HIS A 99 10.017 -3.899 9.956 1.00 0.00 N ATOM 1544 CD2 HIS A 99 11.383 -2.922 11.350 1.00 0.00 C ATOM 1545 CE1 HIS A 99 9.290 -3.115 10.729 1.00 0.00 C ATOM 1546 NE2 HIS A 99 10.093 -2.510 11.584 1.00 0.00 N ATOM 1547 OXT HIS A 99 13.553 -4.675 12.552 1.00 0.00 O ATOM 0 H HIS A 99 12.236 -6.427 12.113 1.00 0.00 H new ATOM 0 HA HIS A 99 13.735 -6.200 9.700 1.00 0.00 H new ATOM 0 HB2 HIS A 99 13.163 -3.831 9.247 1.00 0.00 H new ATOM 0 HB3 HIS A 99 11.990 -5.022 8.721 1.00 0.00 H new ATOM 0 HD2 HIS A 99 12.265 -2.605 11.887 1.00 0.00 H new ATOM 0 HE1 HIS A 99 8.219 -2.990 10.672 1.00 0.00 H new ATOM 0 HE2 HIS A 99 9.803 -1.845 12.301 1.00 0.00 H new TER 1556 HIS A 99