USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 915 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 90 ASN : amide:sc= 0.83 K(o=1.8,f=0.87) USER MOD Set 1.2: A 94 SER OG : rot 165:sc= 0.945 USER MOD Set 2.1: A 30 GLN : amide:sc=-0.00176 X(o=-0.0018,f=0.12) USER MOD Set 2.2: A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -120:sc= -1.66 (180deg=-9.34!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -147:sc= 1.06 (180deg=0.115) USER MOD Single : A 22 TYR OH : rot 30:sc= -2.87! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 165:sc=-0.00963 (180deg=-0.121) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.173 K(o=-0.17,f=-2.1!) USER MOD Single : A 67 HIS : no HD1:sc= -2.15 X(o=-2.2,f=-2.5) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot -103:sc= 0.601 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 166:sc= -1.26 (180deg=-1.66!) USER MOD Single : A 83 CYS SG : rot 108:sc= -1.17 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN : amide:sc= -1.95! C(o=-2!,f=-2.9!) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 88 THR OG1 : rot 64:sc= 1.26 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -48:sc= 1.21 USER MOD Single : A 104 GLN : amide:sc= -0.301 K(o=-0.3,f=-2.4!) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 73:sc= 0.789 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 LYS NZ :NH3+ -147:sc=-0.00491 (180deg=-0.728) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 11 2.495 -20.398 -1.778 1.00 0.00 N ATOM 2 CA LYS A 11 2.537 -19.056 -2.360 1.00 0.00 C ATOM 3 C LYS A 11 2.359 -17.995 -1.279 1.00 0.00 C ATOM 4 O LYS A 11 3.034 -16.964 -1.293 1.00 0.00 O ATOM 5 CB LYS A 11 1.456 -18.897 -3.434 1.00 0.00 C ATOM 6 CG LYS A 11 1.413 -20.040 -4.435 1.00 0.00 C ATOM 7 CD LYS A 11 0.746 -19.619 -5.735 1.00 0.00 C ATOM 8 CE LYS A 11 -0.250 -20.662 -6.212 1.00 0.00 C ATOM 9 NZ LYS A 11 -1.464 -20.042 -6.814 1.00 0.00 N ATOM 0 HA LYS A 11 3.513 -18.921 -2.825 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.484 -18.815 -2.948 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.624 -17.963 -3.970 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.427 -20.384 -4.640 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.872 -20.882 -4.004 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.236 -18.666 -5.592 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.506 -19.462 -6.501 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.228 -21.310 -6.947 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.544 -21.293 -5.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.117 -20.789 -7.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.935 -19.444 -6.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.188 -19.460 -7.631 1.00 0.00 H new ATOM 23 N MET A 12 1.449 -18.262 -0.343 1.00 0.00 N ATOM 24 CA MET A 12 1.173 -17.343 0.758 1.00 0.00 C ATOM 25 C MET A 12 2.441 -17.048 1.555 1.00 0.00 C ATOM 26 O MET A 12 2.716 -15.896 1.889 1.00 0.00 O ATOM 27 CB MET A 12 0.106 -17.931 1.684 1.00 0.00 C ATOM 28 CG MET A 12 -1.027 -16.970 2.001 1.00 0.00 C ATOM 29 SD MET A 12 -2.260 -16.894 0.689 1.00 0.00 S ATOM 30 CE MET A 12 -1.794 -15.366 -0.122 1.00 0.00 C ATOM 0 H MET A 12 0.888 -19.113 -0.327 1.00 0.00 H new ATOM 0 HA MET A 12 0.806 -16.409 0.333 1.00 0.00 H new ATOM 0 HB2 MET A 12 -0.309 -18.827 1.222 1.00 0.00 H new ATOM 0 HB3 MET A 12 0.578 -18.242 2.616 1.00 0.00 H new ATOM 0 HG2 MET A 12 -1.509 -17.276 2.930 1.00 0.00 H new ATOM 0 HG3 MET A 12 -0.617 -15.974 2.168 1.00 0.00 H new ATOM 0 HE1 MET A 12 -2.628 -14.665 -0.084 1.00 0.00 H new ATOM 0 HE2 MET A 12 -0.932 -14.933 0.386 1.00 0.00 H new ATOM 0 HE3 MET A 12 -1.538 -15.569 -1.162 1.00 0.00 H new ATOM 40 N LYS A 13 3.209 -18.099 1.851 1.00 0.00 N ATOM 41 CA LYS A 13 4.455 -17.960 2.604 1.00 0.00 C ATOM 42 C LYS A 13 5.417 -17.014 1.891 1.00 0.00 C ATOM 43 O LYS A 13 6.073 -16.192 2.526 1.00 0.00 O ATOM 44 CB LYS A 13 5.121 -19.324 2.808 1.00 0.00 C ATOM 45 CG LYS A 13 4.214 -20.363 3.451 1.00 0.00 C ATOM 46 CD LYS A 13 4.435 -20.445 4.953 1.00 0.00 C ATOM 47 CE LYS A 13 3.968 -21.782 5.514 1.00 0.00 C ATOM 48 NZ LYS A 13 5.013 -22.837 5.383 1.00 0.00 N ATOM 0 H LYS A 13 2.988 -19.057 1.579 1.00 0.00 H new ATOM 0 HA LYS A 13 4.210 -17.540 3.579 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.460 -19.700 1.843 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.007 -19.195 3.429 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.173 -20.113 3.249 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.401 -21.338 3.001 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.493 -20.306 5.174 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.897 -19.635 5.446 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.703 -21.662 6.565 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.065 -22.099 4.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.655 -23.731 5.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.248 -22.970 4.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.866 -22.547 5.902 1.00 0.00 H new ATOM 62 N LYS A 14 5.487 -17.131 0.565 1.00 0.00 N ATOM 63 CA LYS A 14 6.361 -16.277 -0.236 1.00 0.00 C ATOM 64 C LYS A 14 5.908 -14.817 -0.169 1.00 0.00 C ATOM 65 O LYS A 14 6.736 -13.908 -0.098 1.00 0.00 O ATOM 66 CB LYS A 14 6.384 -16.751 -1.694 1.00 0.00 C ATOM 67 CG LYS A 14 7.713 -16.511 -2.394 1.00 0.00 C ATOM 68 CD LYS A 14 8.582 -17.760 -2.397 1.00 0.00 C ATOM 69 CE LYS A 14 9.826 -17.579 -1.539 1.00 0.00 C ATOM 70 NZ LYS A 14 10.527 -18.870 -1.293 1.00 0.00 N ATOM 0 H LYS A 14 4.949 -17.808 0.024 1.00 0.00 H new ATOM 0 HA LYS A 14 7.368 -16.346 0.175 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.155 -17.816 -1.724 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.595 -16.239 -2.246 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.531 -16.192 -3.420 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.244 -15.699 -1.897 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.004 -18.607 -2.027 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.876 -17.997 -3.420 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.507 -16.884 -2.030 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.547 -17.131 -0.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.368 -18.702 -0.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.886 -19.525 -0.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.817 -19.286 -2.201 1.00 0.00 H new ATOM 84 N ILE A 15 4.590 -14.600 -0.193 1.00 0.00 N ATOM 85 CA ILE A 15 4.033 -13.250 -0.138 1.00 0.00 C ATOM 86 C ILE A 15 4.203 -12.633 1.249 1.00 0.00 C ATOM 87 O ILE A 15 4.676 -11.504 1.375 1.00 0.00 O ATOM 88 CB ILE A 15 2.533 -13.230 -0.514 1.00 0.00 C ATOM 89 CG1 ILE A 15 2.303 -13.929 -1.858 1.00 0.00 C ATOM 90 CG2 ILE A 15 2.019 -11.796 -0.564 1.00 0.00 C ATOM 91 CD1 ILE A 15 0.931 -14.555 -1.987 1.00 0.00 C ATOM 0 H ILE A 15 3.892 -15.342 -0.250 1.00 0.00 H new ATOM 0 HA ILE A 15 4.588 -12.660 -0.867 1.00 0.00 H new ATOM 0 HB ILE A 15 1.979 -13.772 0.252 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.441 -13.206 -2.662 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.060 -14.702 -1.991 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.962 -11.797 -0.830 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.147 -11.329 0.413 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.580 -11.234 -1.311 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.839 -15.032 -2.963 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.797 -15.302 -1.204 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.168 -13.783 -1.887 1.00 0.00 H new ATOM 103 N VAL A 16 3.815 -13.376 2.286 1.00 0.00 N ATOM 104 CA VAL A 16 3.930 -12.886 3.660 1.00 0.00 C ATOM 105 C VAL A 16 5.391 -12.689 4.054 1.00 0.00 C ATOM 106 O VAL A 16 5.730 -11.703 4.708 1.00 0.00 O ATOM 107 CB VAL A 16 3.247 -13.827 4.681 1.00 0.00 C ATOM 108 CG1 VAL A 16 1.743 -13.863 4.447 1.00 0.00 C ATOM 109 CG2 VAL A 16 3.842 -15.230 4.625 1.00 0.00 C ATOM 0 H VAL A 16 3.421 -14.313 2.202 1.00 0.00 H new ATOM 0 HA VAL A 16 3.414 -11.926 3.685 1.00 0.00 H new ATOM 0 HB VAL A 16 3.431 -13.433 5.680 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.278 -14.529 5.173 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.333 -12.859 4.560 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.540 -14.226 3.439 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.341 -15.867 5.354 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.704 -15.644 3.626 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.906 -15.183 4.855 1.00 0.00 H new ATOM 119 N ASP A 17 6.250 -13.625 3.643 1.00 0.00 N ATOM 120 CA ASP A 17 7.675 -13.546 3.948 1.00 0.00 C ATOM 121 C ASP A 17 8.310 -12.334 3.272 1.00 0.00 C ATOM 122 O ASP A 17 9.150 -11.656 3.862 1.00 0.00 O ATOM 123 CB ASP A 17 8.395 -14.821 3.501 1.00 0.00 C ATOM 124 CG ASP A 17 9.804 -14.910 4.053 1.00 0.00 C ATOM 125 OD1 ASP A 17 9.965 -15.409 5.185 1.00 0.00 O ATOM 126 OD2 ASP A 17 10.745 -14.477 3.355 1.00 0.00 O ATOM 0 H ASP A 17 5.981 -14.445 3.099 1.00 0.00 H new ATOM 0 HA ASP A 17 7.778 -13.440 5.028 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.824 -15.691 3.826 1.00 0.00 H new ATOM 0 HB3 ASP A 17 8.431 -14.852 2.412 1.00 0.00 H new ATOM 131 N ALA A 18 7.905 -12.066 2.031 1.00 0.00 N ATOM 132 CA ALA A 18 8.441 -10.934 1.280 1.00 0.00 C ATOM 133 C ALA A 18 8.028 -9.602 1.905 1.00 0.00 C ATOM 134 O ALA A 18 8.843 -8.685 2.016 1.00 0.00 O ATOM 135 CB ALA A 18 7.992 -11.001 -0.173 1.00 0.00 C ATOM 0 H ALA A 18 7.210 -12.616 1.527 1.00 0.00 H new ATOM 0 HA ALA A 18 9.529 -10.995 1.316 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.400 -10.150 -0.719 1.00 0.00 H new ATOM 0 HB2 ALA A 18 8.351 -11.927 -0.622 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.903 -10.974 -0.219 1.00 0.00 H new ATOM 141 N VAL A 19 6.762 -9.499 2.312 1.00 0.00 N ATOM 142 CA VAL A 19 6.253 -8.271 2.921 1.00 0.00 C ATOM 143 C VAL A 19 6.807 -8.080 4.334 1.00 0.00 C ATOM 144 O VAL A 19 7.265 -6.990 4.683 1.00 0.00 O ATOM 145 CB VAL A 19 4.708 -8.247 2.974 1.00 0.00 C ATOM 146 CG1 VAL A 19 4.213 -6.897 3.472 1.00 0.00 C ATOM 147 CG2 VAL A 19 4.113 -8.565 1.607 1.00 0.00 C ATOM 0 H VAL A 19 6.074 -10.248 2.231 1.00 0.00 H new ATOM 0 HA VAL A 19 6.592 -7.452 2.287 1.00 0.00 H new ATOM 0 HB VAL A 19 4.379 -9.015 3.674 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.123 -6.898 3.503 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.604 -6.712 4.472 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.556 -6.112 2.798 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.025 -8.542 1.670 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.450 -7.824 0.882 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.438 -9.556 1.291 1.00 0.00 H new ATOM 157 N ILE A 20 6.767 -9.142 5.141 1.00 0.00 N ATOM 158 CA ILE A 20 7.271 -9.082 6.513 1.00 0.00 C ATOM 159 C ILE A 20 8.764 -8.746 6.546 1.00 0.00 C ATOM 160 O ILE A 20 9.224 -8.049 7.452 1.00 0.00 O ATOM 161 CB ILE A 20 7.020 -10.403 7.278 1.00 0.00 C ATOM 162 CG1 ILE A 20 7.323 -10.224 8.769 1.00 0.00 C ATOM 163 CG2 ILE A 20 7.850 -11.539 6.696 1.00 0.00 C ATOM 164 CD1 ILE A 20 6.200 -9.568 9.541 1.00 0.00 C ATOM 0 H ILE A 20 6.392 -10.051 4.869 1.00 0.00 H new ATOM 0 HA ILE A 20 6.718 -8.285 7.011 1.00 0.00 H new ATOM 0 HB ILE A 20 5.968 -10.664 7.166 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.533 -11.199 9.208 1.00 0.00 H new ATOM 0 HG13 ILE A 20 8.226 -9.624 8.878 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.654 -12.455 7.253 1.00 0.00 H new ATOM 0 HG22 ILE A 20 7.583 -11.686 5.650 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.909 -11.290 6.768 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.485 -9.474 10.589 1.00 0.00 H new ATOM 0 HD12 ILE A 20 6.004 -8.578 9.128 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.300 -10.178 9.463 1.00 0.00 H new ATOM 176 N LYS A 21 9.513 -9.238 5.555 1.00 0.00 N ATOM 177 CA LYS A 21 10.951 -8.976 5.478 1.00 0.00 C ATOM 178 C LYS A 21 11.232 -7.477 5.322 1.00 0.00 C ATOM 179 O LYS A 21 12.303 -7.003 5.704 1.00 0.00 O ATOM 180 CB LYS A 21 11.580 -9.756 4.317 1.00 0.00 C ATOM 181 CG LYS A 21 12.348 -10.996 4.755 1.00 0.00 C ATOM 182 CD LYS A 21 11.470 -11.954 5.547 1.00 0.00 C ATOM 183 CE LYS A 21 12.264 -12.691 6.614 1.00 0.00 C ATOM 184 NZ LYS A 21 12.062 -14.165 6.543 1.00 0.00 N ATOM 0 H LYS A 21 9.149 -9.817 4.799 1.00 0.00 H new ATOM 0 HA LYS A 21 11.402 -9.312 6.412 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.794 -10.053 3.623 1.00 0.00 H new ATOM 0 HB3 LYS A 21 12.254 -9.096 3.771 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.744 -11.507 3.877 1.00 0.00 H new ATOM 0 HG3 LYS A 21 13.202 -10.699 5.363 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.657 -11.400 6.016 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.014 -12.675 4.869 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.324 -12.465 6.498 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.967 -12.332 7.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.110 -14.568 7.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.130 -14.368 6.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.805 -14.589 5.951 1.00 0.00 H new ATOM 198 N TYR A 22 10.265 -6.736 4.771 1.00 0.00 N ATOM 199 CA TYR A 22 10.414 -5.295 4.580 1.00 0.00 C ATOM 200 C TYR A 22 9.821 -4.514 5.763 1.00 0.00 C ATOM 201 O TYR A 22 9.195 -3.467 5.578 1.00 0.00 O ATOM 202 CB TYR A 22 9.747 -4.861 3.271 1.00 0.00 C ATOM 203 CG TYR A 22 10.396 -3.656 2.616 1.00 0.00 C ATOM 204 CD1 TYR A 22 11.041 -2.682 3.377 1.00 0.00 C ATOM 205 CD2 TYR A 22 10.362 -3.492 1.238 1.00 0.00 C ATOM 206 CE1 TYR A 22 11.630 -1.587 2.780 1.00 0.00 C ATOM 207 CE2 TYR A 22 10.950 -2.396 0.635 1.00 0.00 C ATOM 208 CZ TYR A 22 11.582 -1.447 1.410 1.00 0.00 C ATOM 209 OH TYR A 22 12.167 -0.353 0.814 1.00 0.00 O ATOM 0 H TYR A 22 9.373 -7.113 4.451 1.00 0.00 H new ATOM 0 HA TYR A 22 11.479 -5.070 4.527 1.00 0.00 H new ATOM 0 HB2 TYR A 22 9.767 -5.696 2.571 1.00 0.00 H new ATOM 0 HB3 TYR A 22 8.699 -4.634 3.467 1.00 0.00 H new ATOM 0 HD1 TYR A 22 11.080 -2.787 4.451 1.00 0.00 H new ATOM 0 HD2 TYR A 22 9.868 -4.233 0.627 1.00 0.00 H new ATOM 0 HE1 TYR A 22 12.127 -0.842 3.384 1.00 0.00 H new ATOM 0 HE2 TYR A 22 10.914 -2.284 -0.439 1.00 0.00 H new ATOM 0 HH TYR A 22 12.929 -0.055 1.353 1.00 0.00 H new ATOM 219 N LYS A 23 10.033 -5.019 6.981 1.00 0.00 N ATOM 220 CA LYS A 23 9.534 -4.356 8.181 1.00 0.00 C ATOM 221 C LYS A 23 10.642 -3.527 8.823 1.00 0.00 C ATOM 222 O LYS A 23 11.651 -4.071 9.278 1.00 0.00 O ATOM 223 CB LYS A 23 9.002 -5.386 9.182 1.00 0.00 C ATOM 224 CG LYS A 23 7.522 -5.692 9.012 1.00 0.00 C ATOM 225 CD LYS A 23 6.665 -4.856 9.952 1.00 0.00 C ATOM 226 CE LYS A 23 6.212 -5.660 11.162 1.00 0.00 C ATOM 227 NZ LYS A 23 6.213 -4.845 12.410 1.00 0.00 N ATOM 0 H LYS A 23 10.546 -5.883 7.159 1.00 0.00 H new ATOM 0 HA LYS A 23 8.716 -3.694 7.895 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.570 -6.310 9.076 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.175 -5.020 10.194 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.226 -5.499 7.981 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.345 -6.751 9.202 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.231 -3.986 10.284 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.793 -4.483 9.415 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.209 -6.048 10.984 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.868 -6.521 11.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.898 -5.432 13.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.175 -4.496 12.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.567 -4.038 12.298 1.00 0.00 H new ATOM 241 N ASP A 24 10.452 -2.208 8.849 1.00 0.00 N ATOM 242 CA ASP A 24 11.441 -1.301 9.426 1.00 0.00 C ATOM 243 C ASP A 24 11.312 -1.243 10.945 1.00 0.00 C ATOM 244 O ASP A 24 10.264 -0.868 11.471 1.00 0.00 O ATOM 245 CB ASP A 24 11.284 0.103 8.837 1.00 0.00 C ATOM 246 CG ASP A 24 11.793 0.193 7.409 1.00 0.00 C ATOM 247 OD1 ASP A 24 11.197 -0.455 6.521 1.00 0.00 O ATOM 248 OD2 ASP A 24 12.786 0.913 7.180 1.00 0.00 O ATOM 0 H ASP A 24 9.623 -1.745 8.477 1.00 0.00 H new ATOM 0 HA ASP A 24 12.431 -1.684 9.179 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.233 0.390 8.864 1.00 0.00 H new ATOM 0 HB3 ASP A 24 11.825 0.817 9.458 1.00 0.00 H new ATOM 253 N SER A 25 12.390 -1.621 11.641 1.00 0.00 N ATOM 254 CA SER A 25 12.408 -1.620 13.104 1.00 0.00 C ATOM 255 C SER A 25 11.379 -2.605 13.668 1.00 0.00 C ATOM 256 O SER A 25 10.692 -3.301 12.916 1.00 0.00 O ATOM 257 CB SER A 25 12.142 -0.204 13.639 1.00 0.00 C ATOM 258 OG SER A 25 13.229 0.662 13.358 1.00 0.00 O ATOM 0 H SER A 25 13.262 -1.932 11.212 1.00 0.00 H new ATOM 0 HA SER A 25 13.397 -1.941 13.431 1.00 0.00 H new ATOM 0 HB2 SER A 25 11.232 0.193 13.189 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.974 -0.244 14.715 1.00 0.00 H new ATOM 0 HG SER A 25 13.033 1.556 13.707 1.00 0.00 H new ATOM 264 N SER A 26 11.279 -2.657 14.995 1.00 0.00 N ATOM 265 CA SER A 26 10.333 -3.547 15.661 1.00 0.00 C ATOM 266 C SER A 26 8.936 -2.930 15.707 1.00 0.00 C ATOM 267 O SER A 26 7.942 -3.645 15.843 1.00 0.00 O ATOM 268 CB SER A 26 10.811 -3.865 17.081 1.00 0.00 C ATOM 269 OG SER A 26 11.768 -4.910 17.077 1.00 0.00 O ATOM 0 H SER A 26 11.843 -2.092 15.630 1.00 0.00 H new ATOM 0 HA SER A 26 10.280 -4.472 15.086 1.00 0.00 H new ATOM 0 HB2 SER A 26 11.246 -2.972 17.530 1.00 0.00 H new ATOM 0 HB3 SER A 26 9.960 -4.150 17.699 1.00 0.00 H new ATOM 0 HG SER A 26 12.058 -5.092 17.995 1.00 0.00 H new ATOM 275 N SER A 27 8.862 -1.600 15.593 1.00 0.00 N ATOM 276 CA SER A 27 7.582 -0.898 15.624 1.00 0.00 C ATOM 277 C SER A 27 6.949 -0.811 14.231 1.00 0.00 C ATOM 278 O SER A 27 5.743 -0.589 14.107 1.00 0.00 O ATOM 279 CB SER A 27 7.770 0.512 16.195 1.00 0.00 C ATOM 280 OG SER A 27 8.464 1.350 15.281 1.00 0.00 O ATOM 0 H SER A 27 9.673 -0.992 15.479 1.00 0.00 H new ATOM 0 HA SER A 27 6.909 -1.468 16.265 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.797 0.947 16.424 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.323 0.456 17.133 1.00 0.00 H new ATOM 0 HG SER A 27 8.568 2.243 15.670 1.00 0.00 H new ATOM 286 N GLY A 28 7.765 -0.983 13.187 1.00 0.00 N ATOM 287 CA GLY A 28 7.260 -0.911 11.826 1.00 0.00 C ATOM 288 C GLY A 28 7.226 0.512 11.292 1.00 0.00 C ATOM 289 O GLY A 28 6.356 0.857 10.492 1.00 0.00 O ATOM 0 H GLY A 28 8.765 -1.170 13.263 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.885 -1.524 11.177 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.255 -1.333 11.792 1.00 0.00 H new ATOM 293 N ARG A 29 8.178 1.337 11.737 1.00 0.00 N ATOM 294 CA ARG A 29 8.261 2.730 11.305 1.00 0.00 C ATOM 295 C ARG A 29 9.029 2.838 9.989 1.00 0.00 C ATOM 296 O ARG A 29 10.262 2.870 9.978 1.00 0.00 O ATOM 297 CB ARG A 29 8.936 3.581 12.385 1.00 0.00 C ATOM 298 CG ARG A 29 8.913 5.070 12.086 1.00 0.00 C ATOM 299 CD ARG A 29 10.266 5.717 12.345 1.00 0.00 C ATOM 300 NE ARG A 29 10.137 7.001 13.033 1.00 0.00 N ATOM 301 CZ ARG A 29 9.599 8.096 12.484 1.00 0.00 C ATOM 302 NH1 ARG A 29 9.142 8.070 11.233 1.00 0.00 N ATOM 303 NH2 ARG A 29 9.518 9.219 13.190 1.00 0.00 N ATOM 0 H ARG A 29 8.903 1.060 12.399 1.00 0.00 H new ATOM 0 HA ARG A 29 7.249 3.103 11.146 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.440 3.403 13.339 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.971 3.257 12.498 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.627 5.228 11.046 1.00 0.00 H new ATOM 0 HG3 ARG A 29 8.155 5.553 12.702 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.880 5.045 12.944 1.00 0.00 H new ATOM 0 HD3 ARG A 29 10.785 5.864 11.398 1.00 0.00 H new ATOM 0 HE ARG A 29 10.479 7.066 13.992 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.201 7.211 10.686 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.733 8.909 10.822 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.866 9.245 14.149 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.108 10.055 12.773 1.00 0.00 H new ATOM 317 N GLN A 30 8.289 2.890 8.884 1.00 0.00 N ATOM 318 CA GLN A 30 8.885 2.987 7.554 1.00 0.00 C ATOM 319 C GLN A 30 8.242 4.113 6.744 1.00 0.00 C ATOM 320 O GLN A 30 7.353 4.811 7.234 1.00 0.00 O ATOM 321 CB GLN A 30 8.731 1.651 6.816 1.00 0.00 C ATOM 322 CG GLN A 30 7.323 1.071 6.877 1.00 0.00 C ATOM 323 CD GLN A 30 7.138 -0.117 5.951 1.00 0.00 C ATOM 324 OE1 GLN A 30 6.870 -1.230 6.399 1.00 0.00 O ATOM 325 NE2 GLN A 30 7.277 0.114 4.649 1.00 0.00 N ATOM 0 H GLN A 30 7.269 2.866 8.884 1.00 0.00 H new ATOM 0 HA GLN A 30 9.945 3.216 7.668 1.00 0.00 H new ATOM 0 HB2 GLN A 30 9.012 1.789 5.772 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.429 0.930 7.241 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.104 0.766 7.900 1.00 0.00 H new ATOM 0 HG3 GLN A 30 6.603 1.846 6.615 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.500 1.053 4.319 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.161 -0.648 3.981 1.00 0.00 H new ATOM 334 N LEU A 31 8.694 4.278 5.499 1.00 0.00 N ATOM 335 CA LEU A 31 8.161 5.313 4.609 1.00 0.00 C ATOM 336 C LEU A 31 6.640 5.202 4.484 1.00 0.00 C ATOM 337 O LEU A 31 5.946 6.214 4.368 1.00 0.00 O ATOM 338 CB LEU A 31 8.805 5.221 3.225 1.00 0.00 C ATOM 339 CG LEU A 31 9.545 6.483 2.775 1.00 0.00 C ATOM 340 CD1 LEU A 31 11.040 6.222 2.678 1.00 0.00 C ATOM 341 CD2 LEU A 31 8.998 6.977 1.444 1.00 0.00 C ATOM 0 H LEU A 31 9.430 3.707 5.083 1.00 0.00 H new ATOM 0 HA LEU A 31 8.402 6.282 5.047 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.505 4.386 3.221 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.030 4.991 2.494 1.00 0.00 H new ATOM 0 HG LEU A 31 9.383 7.261 3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.548 7.131 2.357 1.00 0.00 H new ATOM 0 HD12 LEU A 31 11.421 5.919 3.653 1.00 0.00 H new ATOM 0 HD13 LEU A 31 11.225 5.428 1.954 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.536 7.875 1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.127 6.203 0.688 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.938 7.208 1.549 1.00 0.00 H new ATOM 353 N SER A 32 6.132 3.965 4.506 1.00 0.00 N ATOM 354 CA SER A 32 4.692 3.710 4.396 1.00 0.00 C ATOM 355 C SER A 32 3.903 4.248 5.602 1.00 0.00 C ATOM 356 O SER A 32 2.675 4.149 5.622 1.00 0.00 O ATOM 357 CB SER A 32 4.432 2.212 4.238 1.00 0.00 C ATOM 358 OG SER A 32 5.027 1.714 3.052 1.00 0.00 O ATOM 0 H SER A 32 6.699 3.122 4.599 1.00 0.00 H new ATOM 0 HA SER A 32 4.342 4.244 3.512 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.830 1.678 5.101 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.358 2.026 4.216 1.00 0.00 H new ATOM 0 HG SER A 32 4.848 0.754 2.975 1.00 0.00 H new ATOM 364 N GLU A 33 4.597 4.819 6.599 1.00 0.00 N ATOM 365 CA GLU A 33 3.933 5.368 7.784 1.00 0.00 C ATOM 366 C GLU A 33 2.901 6.435 7.405 1.00 0.00 C ATOM 367 O GLU A 33 1.948 6.676 8.147 1.00 0.00 O ATOM 368 CB GLU A 33 4.959 5.967 8.746 1.00 0.00 C ATOM 369 CG GLU A 33 5.416 5.002 9.826 1.00 0.00 C ATOM 370 CD GLU A 33 5.645 5.680 11.164 1.00 0.00 C ATOM 371 OE1 GLU A 33 6.393 6.681 11.205 1.00 0.00 O ATOM 372 OE2 GLU A 33 5.078 5.209 12.171 1.00 0.00 O ATOM 0 H GLU A 33 5.613 4.911 6.605 1.00 0.00 H new ATOM 0 HA GLU A 33 3.414 4.546 8.276 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.827 6.300 8.177 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.529 6.851 9.218 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.669 4.217 9.945 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.339 4.518 9.507 1.00 0.00 H new ATOM 379 N VAL A 34 3.092 7.069 6.247 1.00 0.00 N ATOM 380 CA VAL A 34 2.171 8.097 5.774 1.00 0.00 C ATOM 381 C VAL A 34 0.836 7.483 5.341 1.00 0.00 C ATOM 382 O VAL A 34 -0.212 8.122 5.453 1.00 0.00 O ATOM 383 CB VAL A 34 2.769 8.889 4.592 1.00 0.00 C ATOM 384 CG1 VAL A 34 1.872 10.062 4.225 1.00 0.00 C ATOM 385 CG2 VAL A 34 4.179 9.369 4.918 1.00 0.00 C ATOM 0 H VAL A 34 3.877 6.887 5.621 1.00 0.00 H new ATOM 0 HA VAL A 34 2.002 8.779 6.608 1.00 0.00 H new ATOM 0 HB VAL A 34 2.830 8.222 3.732 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.311 10.608 3.390 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.887 9.692 3.940 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.775 10.728 5.083 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.579 9.925 4.070 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.149 10.016 5.794 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.818 8.510 5.123 1.00 0.00 H new ATOM 395 N PHE A 35 0.879 6.243 4.847 1.00 0.00 N ATOM 396 CA PHE A 35 -0.327 5.553 4.399 1.00 0.00 C ATOM 397 C PHE A 35 -0.661 4.378 5.318 1.00 0.00 C ATOM 398 O PHE A 35 -0.764 3.236 4.869 1.00 0.00 O ATOM 399 CB PHE A 35 -0.154 5.059 2.957 1.00 0.00 C ATOM 400 CG PHE A 35 0.331 6.115 2.001 1.00 0.00 C ATOM 401 CD1 PHE A 35 -0.404 7.270 1.788 1.00 0.00 C ATOM 402 CD2 PHE A 35 1.524 5.948 1.316 1.00 0.00 C ATOM 403 CE1 PHE A 35 0.042 8.239 0.910 1.00 0.00 C ATOM 404 CE2 PHE A 35 1.975 6.914 0.436 1.00 0.00 C ATOM 405 CZ PHE A 35 1.232 8.060 0.232 1.00 0.00 C ATOM 0 H PHE A 35 1.736 5.699 4.748 1.00 0.00 H new ATOM 0 HA PHE A 35 -1.154 6.262 4.436 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.550 4.227 2.951 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.108 4.671 2.600 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.336 7.414 2.314 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.108 5.053 1.471 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -0.539 9.136 0.754 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.907 6.773 -0.091 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.581 8.815 -0.457 1.00 0.00 H new ATOM 415 N ILE A 36 -0.836 4.668 6.609 1.00 0.00 N ATOM 416 CA ILE A 36 -1.168 3.637 7.590 1.00 0.00 C ATOM 417 C ILE A 36 -2.661 3.646 7.907 1.00 0.00 C ATOM 418 O ILE A 36 -3.342 2.640 7.717 1.00 0.00 O ATOM 419 CB ILE A 36 -0.361 3.812 8.896 1.00 0.00 C ATOM 420 CG1 ILE A 36 1.139 3.846 8.596 1.00 0.00 C ATOM 421 CG2 ILE A 36 -0.687 2.698 9.884 1.00 0.00 C ATOM 422 CD1 ILE A 36 1.704 2.524 8.118 1.00 0.00 C ATOM 0 H ILE A 36 -0.753 5.607 6.997 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.902 2.678 7.146 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.643 4.762 9.350 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.330 4.606 7.838 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.672 4.153 9.496 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.108 2.840 10.797 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.751 2.722 10.121 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.436 1.734 9.441 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.772 2.632 7.927 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.547 1.763 8.883 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.200 2.224 7.199 1.00 0.00 H new ATOM 434 N GLN A 37 -3.166 4.786 8.384 1.00 0.00 N ATOM 435 CA GLN A 37 -4.582 4.921 8.721 1.00 0.00 C ATOM 436 C GLN A 37 -5.271 5.920 7.791 1.00 0.00 C ATOM 437 O GLN A 37 -4.703 6.962 7.454 1.00 0.00 O ATOM 438 CB GLN A 37 -4.742 5.367 10.176 1.00 0.00 C ATOM 439 CG GLN A 37 -6.160 5.224 10.704 1.00 0.00 C ATOM 440 CD GLN A 37 -6.240 5.397 12.209 1.00 0.00 C ATOM 441 OE1 GLN A 37 -6.235 6.519 12.715 1.00 0.00 O ATOM 442 NE2 GLN A 37 -6.314 4.286 12.934 1.00 0.00 N ATOM 0 H GLN A 37 -2.614 5.628 8.545 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.054 3.947 8.593 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.069 4.782 10.803 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -4.434 6.409 10.264 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.800 5.963 10.222 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -6.548 4.242 10.433 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.315 3.376 12.474 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.370 4.343 13.951 1.00 0.00 H new ATOM 451 N LEU A 38 -6.496 5.593 7.380 1.00 0.00 N ATOM 452 CA LEU A 38 -7.273 6.452 6.489 1.00 0.00 C ATOM 453 C LEU A 38 -8.113 7.448 7.285 1.00 0.00 C ATOM 454 O LEU A 38 -8.778 7.071 8.251 1.00 0.00 O ATOM 455 CB LEU A 38 -8.183 5.603 5.592 1.00 0.00 C ATOM 456 CG LEU A 38 -8.382 6.138 4.172 1.00 0.00 C ATOM 457 CD1 LEU A 38 -7.185 5.793 3.298 1.00 0.00 C ATOM 458 CD2 LEU A 38 -9.665 5.586 3.565 1.00 0.00 C ATOM 0 H LEU A 38 -6.973 4.734 7.652 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.575 7.010 5.865 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.768 4.597 5.529 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.159 5.516 6.070 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.468 7.223 4.224 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.345 6.182 2.292 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.285 6.240 3.721 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.067 4.710 3.254 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.788 5.978 2.556 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.611 4.498 3.527 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -10.516 5.886 4.177 1.00 0.00 H new ATOM 470 N PRO A 39 -8.090 8.741 6.887 1.00 0.00 N ATOM 471 CA PRO A 39 -8.851 9.805 7.563 1.00 0.00 C ATOM 472 C PRO A 39 -10.363 9.558 7.536 1.00 0.00 C ATOM 473 O PRO A 39 -10.828 8.522 7.056 1.00 0.00 O ATOM 474 CB PRO A 39 -8.500 11.070 6.765 1.00 0.00 C ATOM 475 CG PRO A 39 -7.243 10.740 6.040 1.00 0.00 C ATOM 476 CD PRO A 39 -7.314 9.268 5.749 1.00 0.00 C ATOM 0 HA PRO A 39 -8.595 9.869 8.620 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -9.298 11.331 6.070 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -8.360 11.926 7.426 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.159 11.317 5.119 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.368 10.977 6.645 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -7.807 9.068 4.798 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -6.322 8.819 5.695 1.00 0.00 H new ATOM 484 N SER A 40 -11.123 10.520 8.058 1.00 0.00 N ATOM 485 CA SER A 40 -12.579 10.410 8.105 1.00 0.00 C ATOM 486 C SER A 40 -13.206 10.706 6.743 1.00 0.00 C ATOM 487 O SER A 40 -12.782 11.623 6.037 1.00 0.00 O ATOM 488 CB SER A 40 -13.151 11.360 9.163 1.00 0.00 C ATOM 489 OG SER A 40 -13.903 10.648 10.132 1.00 0.00 O ATOM 0 H SER A 40 -10.754 11.384 8.454 1.00 0.00 H new ATOM 0 HA SER A 40 -12.825 9.383 8.374 1.00 0.00 H new ATOM 0 HB2 SER A 40 -12.338 11.898 9.651 1.00 0.00 H new ATOM 0 HB3 SER A 40 -13.784 12.106 8.683 1.00 0.00 H new ATOM 0 HG SER A 40 -14.256 11.275 10.797 1.00 0.00 H new ATOM 495 N ARG A 41 -14.226 9.922 6.388 1.00 0.00 N ATOM 496 CA ARG A 41 -14.929 10.093 5.116 1.00 0.00 C ATOM 497 C ARG A 41 -15.501 11.505 4.997 1.00 0.00 C ATOM 498 O ARG A 41 -15.412 12.131 3.940 1.00 0.00 O ATOM 499 CB ARG A 41 -16.051 9.060 4.988 1.00 0.00 C ATOM 500 CG ARG A 41 -16.714 9.038 3.621 1.00 0.00 C ATOM 501 CD ARG A 41 -18.167 8.606 3.718 1.00 0.00 C ATOM 502 NE ARG A 41 -19.080 9.748 3.723 1.00 0.00 N ATOM 503 CZ ARG A 41 -19.448 10.414 2.624 1.00 0.00 C ATOM 504 NH1 ARG A 41 -18.968 10.066 1.430 1.00 0.00 N ATOM 505 NH2 ARG A 41 -20.294 11.434 2.720 1.00 0.00 N ATOM 0 H ARG A 41 -14.584 9.161 6.965 1.00 0.00 H new ATOM 0 HA ARG A 41 -14.213 9.942 4.308 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -15.647 8.070 5.201 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -16.808 9.265 5.745 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -16.657 10.029 3.171 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -16.173 8.357 2.963 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -18.408 7.953 2.879 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -18.312 8.023 4.627 1.00 0.00 H new ATOM 0 HE ARG A 41 -19.459 10.055 4.619 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -18.315 9.286 1.350 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -19.254 10.579 0.596 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -20.662 11.708 3.631 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -20.576 11.943 1.882 1.00 0.00 H new ATOM 519 N LYS A 42 -16.083 12.001 6.090 1.00 0.00 N ATOM 520 CA LYS A 42 -16.663 13.343 6.112 1.00 0.00 C ATOM 521 C LYS A 42 -15.571 14.416 6.115 1.00 0.00 C ATOM 522 O LYS A 42 -15.790 15.530 5.638 1.00 0.00 O ATOM 523 CB LYS A 42 -17.569 13.517 7.333 1.00 0.00 C ATOM 524 CG LYS A 42 -18.850 14.283 7.038 1.00 0.00 C ATOM 525 CD LYS A 42 -19.106 15.369 8.070 1.00 0.00 C ATOM 526 CE LYS A 42 -18.671 16.735 7.563 1.00 0.00 C ATOM 527 NZ LYS A 42 -18.391 17.681 8.680 1.00 0.00 N ATOM 0 H LYS A 42 -16.165 11.493 6.971 1.00 0.00 H new ATOM 0 HA LYS A 42 -17.260 13.462 5.208 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -17.826 12.534 7.727 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -17.016 14.038 8.114 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -18.786 14.731 6.046 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -19.692 13.591 7.021 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -20.167 15.393 8.318 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -18.569 15.133 8.989 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -17.778 16.626 6.948 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -19.450 17.149 6.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -18.098 18.600 8.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -19.250 17.806 9.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -17.630 17.298 9.276 1.00 0.00 H new ATOM 541 N GLU A 43 -14.399 14.073 6.654 1.00 0.00 N ATOM 542 CA GLU A 43 -13.274 15.005 6.714 1.00 0.00 C ATOM 543 C GLU A 43 -12.702 15.257 5.320 1.00 0.00 C ATOM 544 O GLU A 43 -12.419 16.399 4.957 1.00 0.00 O ATOM 545 CB GLU A 43 -12.177 14.459 7.632 1.00 0.00 C ATOM 546 CG GLU A 43 -12.086 15.180 8.966 1.00 0.00 C ATOM 547 CD GLU A 43 -10.808 14.864 9.716 1.00 0.00 C ATOM 548 OE1 GLU A 43 -9.789 15.543 9.468 1.00 0.00 O ATOM 549 OE2 GLU A 43 -10.825 13.933 10.550 1.00 0.00 O ATOM 0 H GLU A 43 -14.206 13.155 7.055 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.640 15.949 7.117 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.360 13.400 7.813 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -11.217 14.534 7.122 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -12.147 16.255 8.798 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.942 14.904 9.582 1.00 0.00 H new ATOM 556 N LEU A 44 -12.537 14.184 4.544 1.00 0.00 N ATOM 557 CA LEU A 44 -12.002 14.286 3.190 1.00 0.00 C ATOM 558 C LEU A 44 -12.949 13.636 2.176 1.00 0.00 C ATOM 559 O LEU A 44 -12.641 12.588 1.604 1.00 0.00 O ATOM 560 CB LEU A 44 -10.611 13.639 3.116 1.00 0.00 C ATOM 561 CG LEU A 44 -9.489 14.559 2.628 1.00 0.00 C ATOM 562 CD1 LEU A 44 -9.843 15.175 1.281 1.00 0.00 C ATOM 563 CD2 LEU A 44 -9.209 15.643 3.659 1.00 0.00 C ATOM 0 H LEU A 44 -12.768 13.233 4.833 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.911 15.343 2.939 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.348 13.266 4.106 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.665 12.775 2.454 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.586 13.963 2.499 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.032 15.825 0.954 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.992 14.383 0.547 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.759 15.758 1.377 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.409 16.290 3.299 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.110 16.235 3.818 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.907 15.182 4.599 1.00 0.00 H new ATOM 575 N PRO A 45 -14.120 14.261 1.933 1.00 0.00 N ATOM 576 CA PRO A 45 -15.110 13.747 0.977 1.00 0.00 C ATOM 577 C PRO A 45 -14.567 13.701 -0.451 1.00 0.00 C ATOM 578 O PRO A 45 -14.916 12.807 -1.224 1.00 0.00 O ATOM 579 CB PRO A 45 -16.273 14.738 1.079 1.00 0.00 C ATOM 580 CG PRO A 45 -15.679 15.976 1.661 1.00 0.00 C ATOM 581 CD PRO A 45 -14.567 15.518 2.561 1.00 0.00 C ATOM 0 HA PRO A 45 -15.396 12.721 1.207 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -16.711 14.934 0.100 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -17.069 14.347 1.713 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -15.301 16.633 0.878 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -16.425 16.542 2.219 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -13.762 16.251 2.611 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -14.915 15.357 3.581 1.00 0.00 H new ATOM 589 N GLU A 46 -13.704 14.664 -0.789 1.00 0.00 N ATOM 590 CA GLU A 46 -13.103 14.729 -2.120 1.00 0.00 C ATOM 591 C GLU A 46 -12.249 13.492 -2.392 1.00 0.00 C ATOM 592 O GLU A 46 -12.160 13.031 -3.527 1.00 0.00 O ATOM 593 CB GLU A 46 -12.254 15.993 -2.262 1.00 0.00 C ATOM 594 CG GLU A 46 -13.076 17.265 -2.409 1.00 0.00 C ATOM 595 CD GLU A 46 -12.483 18.439 -1.655 1.00 0.00 C ATOM 596 OE1 GLU A 46 -12.360 18.350 -0.413 1.00 0.00 O ATOM 597 OE2 GLU A 46 -12.142 19.450 -2.304 1.00 0.00 O ATOM 0 H GLU A 46 -13.407 15.408 -0.158 1.00 0.00 H new ATOM 0 HA GLU A 46 -13.909 14.761 -2.853 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.608 16.087 -1.389 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -11.604 15.888 -3.130 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -13.155 17.521 -3.466 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -14.088 17.082 -2.049 1.00 0.00 H new ATOM 604 N TYR A 47 -11.634 12.949 -1.341 1.00 0.00 N ATOM 605 CA TYR A 47 -10.807 11.756 -1.479 1.00 0.00 C ATOM 606 C TYR A 47 -11.673 10.535 -1.786 1.00 0.00 C ATOM 607 O TYR A 47 -11.300 9.695 -2.600 1.00 0.00 O ATOM 608 CB TYR A 47 -9.989 11.516 -0.209 1.00 0.00 C ATOM 609 CG TYR A 47 -8.588 11.015 -0.481 1.00 0.00 C ATOM 610 CD1 TYR A 47 -7.596 11.877 -0.933 1.00 0.00 C ATOM 611 CD2 TYR A 47 -8.257 9.679 -0.285 1.00 0.00 C ATOM 612 CE1 TYR A 47 -6.316 11.422 -1.185 1.00 0.00 C ATOM 613 CE2 TYR A 47 -6.978 9.217 -0.534 1.00 0.00 C ATOM 614 CZ TYR A 47 -6.011 10.093 -0.981 1.00 0.00 C ATOM 615 OH TYR A 47 -4.735 9.637 -1.229 1.00 0.00 O ATOM 0 H TYR A 47 -11.694 13.316 -0.391 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.119 11.914 -2.310 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.931 12.445 0.357 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -10.510 10.793 0.418 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -7.829 12.920 -1.090 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.011 8.991 0.067 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.558 12.104 -1.540 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.737 8.176 -0.379 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.687 8.678 -1.034 1.00 0.00 H new ATOM 625 N TYR A 48 -12.834 10.444 -1.130 1.00 0.00 N ATOM 626 CA TYR A 48 -13.750 9.323 -1.343 1.00 0.00 C ATOM 627 C TYR A 48 -14.321 9.328 -2.765 1.00 0.00 C ATOM 628 O TYR A 48 -14.407 8.279 -3.403 1.00 0.00 O ATOM 629 CB TYR A 48 -14.888 9.346 -0.320 1.00 0.00 C ATOM 630 CG TYR A 48 -15.219 7.977 0.233 1.00 0.00 C ATOM 631 CD1 TYR A 48 -14.432 7.397 1.222 1.00 0.00 C ATOM 632 CD2 TYR A 48 -16.313 7.260 -0.238 1.00 0.00 C ATOM 633 CE1 TYR A 48 -14.727 6.143 1.725 1.00 0.00 C ATOM 634 CE2 TYR A 48 -16.613 6.007 0.260 1.00 0.00 C ATOM 635 CZ TYR A 48 -15.818 5.453 1.241 1.00 0.00 C ATOM 636 OH TYR A 48 -16.112 4.203 1.739 1.00 0.00 O ATOM 0 H TYR A 48 -13.159 11.131 -0.450 1.00 0.00 H new ATOM 0 HA TYR A 48 -13.177 8.406 -1.210 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.615 10.007 0.503 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -15.779 9.768 -0.786 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -13.577 7.935 1.603 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -16.939 7.690 -1.006 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -14.106 5.706 2.493 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -17.467 5.464 -0.117 1.00 0.00 H new ATOM 0 HH TYR A 48 -16.912 3.853 1.294 1.00 0.00 H new ATOM 646 N GLU A 49 -14.716 10.506 -3.255 1.00 0.00 N ATOM 647 CA GLU A 49 -15.280 10.622 -4.604 1.00 0.00 C ATOM 648 C GLU A 49 -14.194 10.522 -5.677 1.00 0.00 C ATOM 649 O GLU A 49 -14.426 9.966 -6.751 1.00 0.00 O ATOM 650 CB GLU A 49 -16.059 11.937 -4.767 1.00 0.00 C ATOM 651 CG GLU A 49 -15.237 13.194 -4.498 1.00 0.00 C ATOM 652 CD GLU A 49 -14.742 13.865 -5.769 1.00 0.00 C ATOM 653 OE1 GLU A 49 -15.556 14.066 -6.697 1.00 0.00 O ATOM 654 OE2 GLU A 49 -13.541 14.195 -5.836 1.00 0.00 O ATOM 0 H GLU A 49 -14.657 11.387 -2.744 1.00 0.00 H new ATOM 0 HA GLU A 49 -15.969 9.788 -4.736 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -16.455 11.987 -5.781 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -16.914 11.925 -4.091 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -15.842 13.902 -3.932 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.382 12.935 -3.874 1.00 0.00 H new ATOM 661 N LEU A 50 -13.010 11.062 -5.382 1.00 0.00 N ATOM 662 CA LEU A 50 -11.893 11.029 -6.325 1.00 0.00 C ATOM 663 C LEU A 50 -11.227 9.650 -6.346 1.00 0.00 C ATOM 664 O LEU A 50 -10.827 9.163 -7.405 1.00 0.00 O ATOM 665 CB LEU A 50 -10.865 12.107 -5.962 1.00 0.00 C ATOM 666 CG LEU A 50 -9.653 12.204 -6.893 1.00 0.00 C ATOM 667 CD1 LEU A 50 -9.951 13.132 -8.062 1.00 0.00 C ATOM 668 CD2 LEU A 50 -8.432 12.685 -6.121 1.00 0.00 C ATOM 0 H LEU A 50 -12.801 11.527 -4.498 1.00 0.00 H new ATOM 0 HA LEU A 50 -12.285 11.230 -7.322 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -11.368 13.074 -5.948 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.509 11.918 -4.949 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.440 11.212 -7.292 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -9.079 13.189 -8.713 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -10.800 12.746 -8.626 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.188 14.127 -7.685 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.578 12.749 -6.795 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.634 13.668 -5.696 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.209 11.982 -5.318 1.00 0.00 H new ATOM 680 N ILE A 51 -11.111 9.031 -5.173 1.00 0.00 N ATOM 681 CA ILE A 51 -10.493 7.714 -5.050 1.00 0.00 C ATOM 682 C ILE A 51 -11.547 6.627 -4.838 1.00 0.00 C ATOM 683 O ILE A 51 -12.311 6.674 -3.872 1.00 0.00 O ATOM 684 CB ILE A 51 -9.483 7.672 -3.878 1.00 0.00 C ATOM 685 CG1 ILE A 51 -8.532 8.874 -3.942 1.00 0.00 C ATOM 686 CG2 ILE A 51 -8.701 6.366 -3.893 1.00 0.00 C ATOM 687 CD1 ILE A 51 -7.719 8.941 -5.220 1.00 0.00 C ATOM 0 H ILE A 51 -11.439 9.423 -4.290 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.964 7.525 -5.984 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.039 7.727 -2.942 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -9.113 9.791 -3.843 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.852 8.834 -3.091 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.996 6.355 -3.062 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.391 5.528 -3.795 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.156 6.279 -4.833 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.070 9.816 -5.193 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -7.111 8.041 -5.312 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.391 9.014 -6.075 1.00 0.00 H new ATOM 699 N ARG A 52 -11.578 5.645 -5.745 1.00 0.00 N ATOM 700 CA ARG A 52 -12.535 4.539 -5.656 1.00 0.00 C ATOM 701 C ARG A 52 -12.196 3.625 -4.476 1.00 0.00 C ATOM 702 O ARG A 52 -11.567 2.579 -4.648 1.00 0.00 O ATOM 703 CB ARG A 52 -12.543 3.729 -6.963 1.00 0.00 C ATOM 704 CG ARG A 52 -13.792 3.926 -7.806 1.00 0.00 C ATOM 705 CD ARG A 52 -14.645 2.664 -7.847 1.00 0.00 C ATOM 706 NE ARG A 52 -16.077 2.966 -7.882 1.00 0.00 N ATOM 707 CZ ARG A 52 -17.022 2.088 -8.233 1.00 0.00 C ATOM 708 NH1 ARG A 52 -16.697 0.843 -8.583 1.00 0.00 N ATOM 709 NH2 ARG A 52 -18.300 2.455 -8.235 1.00 0.00 N ATOM 0 H ARG A 52 -10.952 5.594 -6.548 1.00 0.00 H new ATOM 0 HA ARG A 52 -13.528 4.960 -5.496 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.671 4.006 -7.555 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.443 2.671 -6.723 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.379 4.750 -7.401 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -13.507 4.206 -8.820 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -14.378 2.075 -8.725 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -14.426 2.051 -6.973 1.00 0.00 H new ATOM 0 HE ARG A 52 -16.373 3.907 -7.622 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -15.719 0.552 -8.585 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -17.426 0.181 -8.849 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -18.558 3.405 -7.969 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -19.022 1.786 -8.503 1.00 0.00 H new ATOM 723 N LYS A 53 -12.617 4.037 -3.277 1.00 0.00 N ATOM 724 CA LYS A 53 -12.366 3.276 -2.051 1.00 0.00 C ATOM 725 C LYS A 53 -10.864 3.063 -1.825 1.00 0.00 C ATOM 726 O LYS A 53 -10.319 2.005 -2.149 1.00 0.00 O ATOM 727 CB LYS A 53 -13.098 1.928 -2.091 1.00 0.00 C ATOM 728 CG LYS A 53 -14.324 1.875 -1.192 1.00 0.00 C ATOM 729 CD LYS A 53 -14.760 0.442 -0.923 1.00 0.00 C ATOM 730 CE LYS A 53 -14.058 -0.142 0.296 1.00 0.00 C ATOM 731 NZ LYS A 53 -14.558 0.449 1.573 1.00 0.00 N ATOM 0 H LYS A 53 -13.138 4.901 -3.130 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.753 3.858 -1.214 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.401 1.718 -3.117 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.406 1.139 -1.795 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -14.105 2.373 -0.247 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -15.142 2.423 -1.659 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -15.839 0.413 -0.770 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -14.545 -0.174 -1.796 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -14.206 -1.222 0.315 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -12.985 0.032 0.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -14.250 -0.141 2.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.176 1.410 1.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -15.597 0.490 1.553 1.00 0.00 H new ATOM 745 N PRO A 54 -10.173 4.075 -1.264 1.00 0.00 N ATOM 746 CA PRO A 54 -8.730 4.002 -0.993 1.00 0.00 C ATOM 747 C PRO A 54 -8.397 3.019 0.131 1.00 0.00 C ATOM 748 O PRO A 54 -9.209 2.798 1.035 1.00 0.00 O ATOM 749 CB PRO A 54 -8.370 5.432 -0.578 1.00 0.00 C ATOM 750 CG PRO A 54 -9.640 6.011 -0.058 1.00 0.00 C ATOM 751 CD PRO A 54 -10.746 5.373 -0.853 1.00 0.00 C ATOM 0 HA PRO A 54 -8.173 3.643 -1.858 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -7.592 5.438 0.185 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.991 6.006 -1.424 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.756 5.804 1.006 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.651 7.095 -0.175 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.647 5.242 -0.253 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.022 5.980 -1.715 1.00 0.00 H new ATOM 759 N VAL A 55 -7.200 2.436 0.069 1.00 0.00 N ATOM 760 CA VAL A 55 -6.755 1.476 1.079 1.00 0.00 C ATOM 761 C VAL A 55 -5.455 1.933 1.741 1.00 0.00 C ATOM 762 O VAL A 55 -4.632 2.605 1.114 1.00 0.00 O ATOM 763 CB VAL A 55 -6.536 0.071 0.474 1.00 0.00 C ATOM 764 CG1 VAL A 55 -7.853 -0.533 0.003 1.00 0.00 C ATOM 765 CG2 VAL A 55 -5.525 0.126 -0.665 1.00 0.00 C ATOM 0 H VAL A 55 -6.520 2.612 -0.671 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.547 1.423 1.826 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.133 -0.574 1.255 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.670 -1.521 -0.418 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.536 -0.620 0.848 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.296 0.109 -0.758 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.386 -0.874 -1.077 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.892 0.792 -1.446 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.573 0.499 -0.288 1.00 0.00 H new ATOM 775 N ASP A 56 -5.277 1.558 3.008 1.00 0.00 N ATOM 776 CA ASP A 56 -4.076 1.919 3.758 1.00 0.00 C ATOM 777 C ASP A 56 -3.316 0.668 4.213 1.00 0.00 C ATOM 778 O ASP A 56 -3.766 -0.460 3.991 1.00 0.00 O ATOM 779 CB ASP A 56 -4.436 2.797 4.970 1.00 0.00 C ATOM 780 CG ASP A 56 -5.525 2.203 5.856 1.00 0.00 C ATOM 781 OD1 ASP A 56 -5.707 0.970 5.847 1.00 0.00 O ATOM 782 OD2 ASP A 56 -6.193 2.976 6.569 1.00 0.00 O ATOM 0 H ASP A 56 -5.951 1.004 3.536 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.426 2.491 3.095 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.540 2.958 5.570 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.762 3.775 4.615 1.00 0.00 H new ATOM 787 N PHE A 57 -2.158 0.877 4.841 1.00 0.00 N ATOM 788 CA PHE A 57 -1.322 -0.226 5.323 1.00 0.00 C ATOM 789 C PHE A 57 -2.066 -1.124 6.312 1.00 0.00 C ATOM 790 O PHE A 57 -1.836 -2.332 6.349 1.00 0.00 O ATOM 791 CB PHE A 57 -0.044 0.319 5.974 1.00 0.00 C ATOM 792 CG PHE A 57 1.145 -0.588 5.816 1.00 0.00 C ATOM 793 CD1 PHE A 57 1.728 -0.780 4.572 1.00 0.00 C ATOM 794 CD2 PHE A 57 1.683 -1.246 6.911 1.00 0.00 C ATOM 795 CE1 PHE A 57 2.822 -1.611 4.424 1.00 0.00 C ATOM 796 CE2 PHE A 57 2.777 -2.079 6.768 1.00 0.00 C ATOM 797 CZ PHE A 57 3.348 -2.261 5.523 1.00 0.00 C ATOM 0 H PHE A 57 -1.776 1.804 5.029 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.060 -0.834 4.457 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.190 1.290 5.538 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.228 0.482 7.036 1.00 0.00 H new ATOM 0 HD1 PHE A 57 1.322 -0.274 3.709 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.242 -1.106 7.887 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.265 -1.752 3.449 1.00 0.00 H new ATOM 0 HE2 PHE A 57 3.185 -2.587 7.629 1.00 0.00 H new ATOM 0 HZ PHE A 57 4.204 -2.910 5.410 1.00 0.00 H new ATOM 807 N LYS A 58 -2.945 -0.528 7.116 1.00 0.00 N ATOM 808 CA LYS A 58 -3.709 -1.281 8.111 1.00 0.00 C ATOM 809 C LYS A 58 -4.747 -2.187 7.458 1.00 0.00 C ATOM 810 O LYS A 58 -4.932 -3.330 7.876 1.00 0.00 O ATOM 811 CB LYS A 58 -4.381 -0.324 9.097 1.00 0.00 C ATOM 812 CG LYS A 58 -3.420 0.689 9.694 1.00 0.00 C ATOM 813 CD LYS A 58 -2.817 0.184 10.992 1.00 0.00 C ATOM 814 CE LYS A 58 -2.973 1.201 12.111 1.00 0.00 C ATOM 815 NZ LYS A 58 -2.538 0.657 13.428 1.00 0.00 N ATOM 0 H LYS A 58 -3.146 0.472 7.099 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.011 -1.919 8.653 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.187 0.205 8.588 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.836 -0.902 9.901 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.624 0.902 8.980 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.945 1.627 9.876 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.299 -0.751 11.279 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.760 -0.035 10.842 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.388 2.090 11.876 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.016 1.512 12.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.662 1.384 14.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.112 -0.177 13.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.536 0.384 13.377 1.00 0.00 H new ATOM 829 N LYS A 59 -5.417 -1.673 6.431 1.00 0.00 N ATOM 830 CA LYS A 59 -6.433 -2.440 5.716 1.00 0.00 C ATOM 831 C LYS A 59 -5.813 -3.665 5.051 1.00 0.00 C ATOM 832 O LYS A 59 -6.315 -4.779 5.200 1.00 0.00 O ATOM 833 CB LYS A 59 -7.125 -1.568 4.663 1.00 0.00 C ATOM 834 CG LYS A 59 -8.249 -0.705 5.221 1.00 0.00 C ATOM 835 CD LYS A 59 -9.611 -1.332 4.973 1.00 0.00 C ATOM 836 CE LYS A 59 -10.666 -0.278 4.665 1.00 0.00 C ATOM 837 NZ LYS A 59 -11.389 0.169 5.891 1.00 0.00 N ATOM 0 H LYS A 59 -5.275 -0.728 6.075 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.177 -2.773 6.440 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.382 -0.922 4.195 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.528 -2.211 3.880 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.102 -0.563 6.292 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.213 0.282 4.761 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -9.543 -2.033 4.141 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.913 -1.905 5.850 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.191 0.581 4.191 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.382 -0.681 3.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.097 0.886 5.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.864 -0.645 6.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.710 0.578 6.564 1.00 0.00 H new ATOM 851 N ILE A 60 -4.717 -3.453 4.323 1.00 0.00 N ATOM 852 CA ILE A 60 -4.027 -4.545 3.637 1.00 0.00 C ATOM 853 C ILE A 60 -3.412 -5.527 4.633 1.00 0.00 C ATOM 854 O ILE A 60 -3.524 -6.741 4.459 1.00 0.00 O ATOM 855 CB ILE A 60 -2.922 -4.022 2.690 1.00 0.00 C ATOM 856 CG1 ILE A 60 -3.474 -2.923 1.772 1.00 0.00 C ATOM 857 CG2 ILE A 60 -2.341 -5.165 1.864 1.00 0.00 C ATOM 858 CD1 ILE A 60 -4.573 -3.396 0.844 1.00 0.00 C ATOM 0 H ILE A 60 -4.288 -2.537 4.193 1.00 0.00 H new ATOM 0 HA ILE A 60 -4.781 -5.062 3.043 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.124 -3.594 3.297 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.856 -2.108 2.386 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.657 -2.517 1.175 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.565 -4.779 1.203 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.911 -5.913 2.530 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.131 -5.621 1.268 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.912 -2.564 0.227 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.191 -4.191 0.203 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.408 -3.775 1.433 1.00 0.00 H new ATOM 870 N LYS A 61 -2.764 -4.999 5.678 1.00 0.00 N ATOM 871 CA LYS A 61 -2.134 -5.839 6.701 1.00 0.00 C ATOM 872 C LYS A 61 -3.163 -6.739 7.388 1.00 0.00 C ATOM 873 O LYS A 61 -2.877 -7.897 7.692 1.00 0.00 O ATOM 874 CB LYS A 61 -1.412 -4.980 7.744 1.00 0.00 C ATOM 875 CG LYS A 61 0.045 -4.704 7.403 1.00 0.00 C ATOM 876 CD LYS A 61 0.984 -5.657 8.130 1.00 0.00 C ATOM 877 CE LYS A 61 1.899 -6.391 7.158 1.00 0.00 C ATOM 878 NZ LYS A 61 3.021 -7.083 7.855 1.00 0.00 N ATOM 0 H LYS A 61 -2.663 -3.996 5.837 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.402 -6.472 6.200 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.938 -4.031 7.848 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.462 -5.480 8.711 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.191 -4.799 6.327 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.292 -3.676 7.669 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.586 -5.099 8.847 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.400 -6.381 8.699 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.318 -7.121 6.595 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.304 -5.681 6.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.618 -7.569 7.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.592 -6.384 8.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.637 -7.779 8.525 1.00 0.00 H new ATOM 892 N GLU A 62 -4.359 -6.201 7.629 1.00 0.00 N ATOM 893 CA GLU A 62 -5.424 -6.966 8.275 1.00 0.00 C ATOM 894 C GLU A 62 -5.967 -8.044 7.338 1.00 0.00 C ATOM 895 O GLU A 62 -6.193 -9.181 7.755 1.00 0.00 O ATOM 896 CB GLU A 62 -6.558 -6.037 8.721 1.00 0.00 C ATOM 897 CG GLU A 62 -6.841 -6.096 10.214 1.00 0.00 C ATOM 898 CD GLU A 62 -7.951 -5.153 10.641 1.00 0.00 C ATOM 899 OE1 GLU A 62 -9.065 -5.251 10.082 1.00 0.00 O ATOM 900 OE2 GLU A 62 -7.706 -4.316 11.535 1.00 0.00 O ATOM 0 H GLU A 62 -4.613 -5.243 7.388 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.002 -7.454 9.154 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.306 -5.012 8.448 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.466 -6.298 8.177 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.112 -7.116 10.488 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.931 -5.850 10.761 1.00 0.00 H new ATOM 907 N ARG A 63 -6.178 -7.680 6.071 1.00 0.00 N ATOM 908 CA ARG A 63 -6.700 -8.618 5.076 1.00 0.00 C ATOM 909 C ARG A 63 -5.707 -9.750 4.802 1.00 0.00 C ATOM 910 O ARG A 63 -6.090 -10.921 4.772 1.00 0.00 O ATOM 911 CB ARG A 63 -7.038 -7.887 3.770 1.00 0.00 C ATOM 912 CG ARG A 63 -7.970 -6.699 3.953 1.00 0.00 C ATOM 913 CD ARG A 63 -9.363 -6.979 3.408 1.00 0.00 C ATOM 914 NE ARG A 63 -10.354 -6.043 3.940 1.00 0.00 N ATOM 915 CZ ARG A 63 -11.535 -5.792 3.367 1.00 0.00 C ATOM 916 NH1 ARG A 63 -11.888 -6.407 2.239 1.00 0.00 N ATOM 917 NH2 ARG A 63 -12.366 -4.918 3.925 1.00 0.00 N ATOM 0 H ARG A 63 -5.995 -6.743 5.711 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.611 -9.056 5.483 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.113 -7.543 3.308 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.497 -8.593 3.078 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.038 -6.451 5.012 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.551 -5.828 3.448 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.348 -6.912 2.320 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -9.654 -7.999 3.661 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.129 -5.550 4.804 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.254 -7.077 1.804 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -12.792 -6.207 1.811 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -12.102 -4.442 4.787 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -13.268 -4.723 3.491 1.00 0.00 H new ATOM 931 N ILE A 64 -4.434 -9.395 4.603 1.00 0.00 N ATOM 932 CA ILE A 64 -3.391 -10.388 4.332 1.00 0.00 C ATOM 933 C ILE A 64 -3.233 -11.372 5.494 1.00 0.00 C ATOM 934 O ILE A 64 -2.860 -12.528 5.284 1.00 0.00 O ATOM 935 CB ILE A 64 -2.030 -9.720 4.022 1.00 0.00 C ATOM 936 CG1 ILE A 64 -1.008 -10.767 3.569 1.00 0.00 C ATOM 937 CG2 ILE A 64 -1.507 -8.955 5.230 1.00 0.00 C ATOM 938 CD1 ILE A 64 0.263 -10.168 3.003 1.00 0.00 C ATOM 0 H ILE A 64 -4.102 -8.431 4.624 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.712 -10.941 3.450 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.183 -9.008 3.211 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.754 -11.405 4.416 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.466 -11.407 2.814 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.550 -8.496 4.983 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.221 -8.179 5.506 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.376 -9.641 6.066 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.940 -10.968 2.703 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.021 -9.553 2.136 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.744 -9.551 3.762 1.00 0.00 H new ATOM 950 N ARG A 65 -3.531 -10.916 6.716 1.00 0.00 N ATOM 951 CA ARG A 65 -3.435 -11.770 7.900 1.00 0.00 C ATOM 952 C ARG A 65 -4.268 -13.041 7.719 1.00 0.00 C ATOM 953 O ARG A 65 -3.882 -14.116 8.177 1.00 0.00 O ATOM 954 CB ARG A 65 -3.907 -11.013 9.142 1.00 0.00 C ATOM 955 CG ARG A 65 -2.778 -10.613 10.079 1.00 0.00 C ATOM 956 CD ARG A 65 -3.302 -10.229 11.457 1.00 0.00 C ATOM 957 NE ARG A 65 -3.878 -11.374 12.164 1.00 0.00 N ATOM 958 CZ ARG A 65 -5.178 -11.694 12.149 1.00 0.00 C ATOM 959 NH1 ARG A 65 -6.054 -10.951 11.471 1.00 0.00 N ATOM 960 NH2 ARG A 65 -5.605 -12.762 12.814 1.00 0.00 N ATOM 0 H ARG A 65 -3.840 -9.963 6.908 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.390 -12.052 8.031 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.442 -10.117 8.829 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.617 -11.634 9.687 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.074 -11.439 10.174 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.229 -9.774 9.651 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.489 -9.809 12.050 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.057 -9.450 11.353 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.248 -11.967 12.704 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.736 -10.130 10.957 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -7.042 -11.204 11.467 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -4.943 -13.337 13.335 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.595 -13.007 12.804 1.00 0.00 H new ATOM 974 N ASN A 66 -5.409 -12.904 7.039 1.00 0.00 N ATOM 975 CA ASN A 66 -6.297 -14.032 6.779 1.00 0.00 C ATOM 976 C ASN A 66 -6.131 -14.554 5.344 1.00 0.00 C ATOM 977 O ASN A 66 -6.952 -15.340 4.868 1.00 0.00 O ATOM 978 CB ASN A 66 -7.753 -13.622 7.028 1.00 0.00 C ATOM 979 CG ASN A 66 -8.576 -14.735 7.657 1.00 0.00 C ATOM 980 OD1 ASN A 66 -8.037 -15.632 8.307 1.00 0.00 O ATOM 981 ND2 ASN A 66 -9.890 -14.681 7.473 1.00 0.00 N ATOM 0 H ASN A 66 -5.738 -12.017 6.658 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.029 -14.838 7.462 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.774 -12.748 7.679 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.210 -13.327 6.083 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.491 -15.399 7.877 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -10.298 -13.921 6.928 1.00 0.00 H new ATOM 988 N HIS A 67 -5.065 -14.110 4.661 1.00 0.00 N ATOM 989 CA HIS A 67 -4.779 -14.527 3.286 1.00 0.00 C ATOM 990 C HIS A 67 -5.854 -14.035 2.315 1.00 0.00 C ATOM 991 O HIS A 67 -6.526 -14.833 1.655 1.00 0.00 O ATOM 992 CB HIS A 67 -4.642 -16.052 3.203 1.00 0.00 C ATOM 993 CG HIS A 67 -3.610 -16.620 4.130 1.00 0.00 C ATOM 994 ND1 HIS A 67 -2.592 -15.868 4.682 1.00 0.00 N ATOM 995 CD2 HIS A 67 -3.443 -17.878 4.601 1.00 0.00 C ATOM 996 CE1 HIS A 67 -1.844 -16.640 5.449 1.00 0.00 C ATOM 997 NE2 HIS A 67 -2.340 -17.863 5.418 1.00 0.00 N ATOM 0 H HIS A 67 -4.383 -13.456 5.046 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.832 -14.072 2.994 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -5.607 -16.506 3.427 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -4.389 -16.329 2.180 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -4.062 -18.734 4.376 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -0.975 -16.325 6.007 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -1.964 -18.667 5.920 1.00 0.00 H new ATOM 1006 N LYS A 68 -6.009 -12.715 2.232 1.00 0.00 N ATOM 1007 CA LYS A 68 -6.997 -12.113 1.338 1.00 0.00 C ATOM 1008 C LYS A 68 -6.480 -12.054 -0.099 1.00 0.00 C ATOM 1009 O LYS A 68 -7.200 -12.401 -1.037 1.00 0.00 O ATOM 1010 CB LYS A 68 -7.371 -10.709 1.818 1.00 0.00 C ATOM 1011 CG LYS A 68 -8.862 -10.526 2.054 1.00 0.00 C ATOM 1012 CD LYS A 68 -9.343 -11.326 3.256 1.00 0.00 C ATOM 1013 CE LYS A 68 -10.220 -12.499 2.837 1.00 0.00 C ATOM 1014 NZ LYS A 68 -10.361 -13.515 3.921 1.00 0.00 N ATOM 0 H LYS A 68 -5.464 -12.043 2.772 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.887 -12.742 1.355 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.836 -10.495 2.743 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.036 -9.980 1.080 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.079 -9.469 2.210 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.412 -10.837 1.166 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -8.483 -11.696 3.815 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -9.903 -10.674 3.927 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.207 -12.130 2.557 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.793 -12.971 1.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -10.966 -14.294 3.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -9.423 -13.888 4.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -10.793 -13.073 4.757 1.00 0.00 H new ATOM 1028 N TYR A 69 -5.235 -11.604 -0.267 1.00 0.00 N ATOM 1029 CA TYR A 69 -4.631 -11.494 -1.592 1.00 0.00 C ATOM 1030 C TYR A 69 -3.873 -12.766 -1.966 1.00 0.00 C ATOM 1031 O TYR A 69 -2.665 -12.874 -1.740 1.00 0.00 O ATOM 1032 CB TYR A 69 -3.695 -10.282 -1.650 1.00 0.00 C ATOM 1033 CG TYR A 69 -4.419 -8.971 -1.874 1.00 0.00 C ATOM 1034 CD1 TYR A 69 -5.293 -8.813 -2.943 1.00 0.00 C ATOM 1035 CD2 TYR A 69 -4.234 -7.896 -1.013 1.00 0.00 C ATOM 1036 CE1 TYR A 69 -5.959 -7.622 -3.149 1.00 0.00 C ATOM 1037 CE2 TYR A 69 -4.897 -6.701 -1.214 1.00 0.00 C ATOM 1038 CZ TYR A 69 -5.759 -6.569 -2.282 1.00 0.00 C ATOM 1039 OH TYR A 69 -6.426 -5.383 -2.481 1.00 0.00 O ATOM 0 H TYR A 69 -4.628 -11.311 0.498 1.00 0.00 H new ATOM 0 HA TYR A 69 -5.435 -11.358 -2.316 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -3.132 -10.223 -0.719 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -2.971 -10.430 -2.451 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -5.454 -9.636 -3.624 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -3.562 -7.996 -0.174 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -6.634 -7.515 -3.986 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -4.741 -5.874 -0.538 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.815 -4.726 -2.875 1.00 0.00 H new ATOM 1049 N ARG A 70 -4.594 -13.724 -2.548 1.00 0.00 N ATOM 1050 CA ARG A 70 -3.998 -14.995 -2.970 1.00 0.00 C ATOM 1051 C ARG A 70 -3.247 -14.842 -4.295 1.00 0.00 C ATOM 1052 O ARG A 70 -2.266 -15.544 -4.542 1.00 0.00 O ATOM 1053 CB ARG A 70 -5.074 -16.081 -3.102 1.00 0.00 C ATOM 1054 CG ARG A 70 -6.265 -15.675 -3.960 1.00 0.00 C ATOM 1055 CD ARG A 70 -7.141 -16.870 -4.301 1.00 0.00 C ATOM 1056 NE ARG A 70 -8.264 -16.501 -5.163 1.00 0.00 N ATOM 1057 CZ ARG A 70 -9.024 -17.380 -5.822 1.00 0.00 C ATOM 1058 NH1 ARG A 70 -8.796 -18.689 -5.714 1.00 0.00 N ATOM 1059 NH2 ARG A 70 -10.020 -16.950 -6.589 1.00 0.00 N ATOM 0 H ARG A 70 -5.593 -13.646 -2.739 1.00 0.00 H new ATOM 0 HA ARG A 70 -3.284 -15.295 -2.203 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.621 -16.976 -3.528 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.431 -16.347 -2.107 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.857 -14.928 -3.432 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.910 -15.209 -4.879 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.538 -17.631 -4.797 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -7.521 -17.314 -3.381 1.00 0.00 H new ATOM 0 HE ARG A 70 -8.480 -15.510 -5.267 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -8.036 -19.027 -5.124 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -9.382 -19.352 -6.221 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.203 -15.950 -6.674 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -10.601 -17.620 -7.093 1.00 0.00 H new ATOM 1073 N SER A 71 -3.715 -13.922 -5.144 1.00 0.00 N ATOM 1074 CA SER A 71 -3.087 -13.681 -6.439 1.00 0.00 C ATOM 1075 C SER A 71 -1.947 -12.673 -6.317 1.00 0.00 C ATOM 1076 O SER A 71 -2.072 -11.661 -5.624 1.00 0.00 O ATOM 1077 CB SER A 71 -4.124 -13.175 -7.446 1.00 0.00 C ATOM 1078 OG SER A 71 -5.056 -14.192 -7.776 1.00 0.00 O ATOM 0 H SER A 71 -4.527 -13.334 -4.954 1.00 0.00 H new ATOM 0 HA SER A 71 -2.674 -14.626 -6.793 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.651 -12.316 -7.029 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.620 -12.832 -8.350 1.00 0.00 H new ATOM 0 HG SER A 71 -5.708 -13.842 -8.419 1.00 0.00 H new ATOM 1084 N LEU A 72 -0.838 -12.956 -7.000 1.00 0.00 N ATOM 1085 CA LEU A 72 0.329 -12.075 -6.978 1.00 0.00 C ATOM 1086 C LEU A 72 0.055 -10.776 -7.737 1.00 0.00 C ATOM 1087 O LEU A 72 0.558 -9.715 -7.364 1.00 0.00 O ATOM 1088 CB LEU A 72 1.549 -12.784 -7.581 1.00 0.00 C ATOM 1089 CG LEU A 72 2.362 -13.640 -6.603 1.00 0.00 C ATOM 1090 CD1 LEU A 72 2.804 -12.814 -5.402 1.00 0.00 C ATOM 1091 CD2 LEU A 72 1.561 -14.855 -6.156 1.00 0.00 C ATOM 0 H LEU A 72 -0.723 -13.790 -7.576 1.00 0.00 H new ATOM 0 HA LEU A 72 0.539 -11.828 -5.937 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.211 -13.420 -8.399 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.208 -12.031 -8.013 1.00 0.00 H new ATOM 0 HG LEU A 72 3.254 -13.992 -7.120 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.379 -13.441 -4.721 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.423 -11.983 -5.740 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.927 -12.426 -4.884 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.157 -15.449 -5.463 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.648 -14.526 -5.660 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.304 -15.461 -7.025 1.00 0.00 H new ATOM 1103 N ASN A 73 -0.745 -10.869 -8.804 1.00 0.00 N ATOM 1104 CA ASN A 73 -1.086 -9.701 -9.614 1.00 0.00 C ATOM 1105 C ASN A 73 -1.936 -8.712 -8.821 1.00 0.00 C ATOM 1106 O ASN A 73 -1.751 -7.502 -8.930 1.00 0.00 O ATOM 1107 CB ASN A 73 -1.831 -10.123 -10.884 1.00 0.00 C ATOM 1108 CG ASN A 73 -0.904 -10.700 -11.937 1.00 0.00 C ATOM 1109 OD1 ASN A 73 -0.499 -10.005 -12.868 1.00 0.00 O ATOM 1110 ND2 ASN A 73 -0.564 -11.977 -11.796 1.00 0.00 N ATOM 0 H ASN A 73 -1.167 -11.741 -9.124 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.154 -9.210 -9.895 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -2.589 -10.863 -10.628 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.354 -9.261 -11.298 1.00 0.00 H new ATOM 0 HD21 ASN A 73 0.056 -12.418 -12.475 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -0.923 -12.516 -11.008 1.00 0.00 H new ATOM 1117 N ASP A 74 -2.869 -9.238 -8.025 1.00 0.00 N ATOM 1118 CA ASP A 74 -3.749 -8.401 -7.212 1.00 0.00 C ATOM 1119 C ASP A 74 -2.948 -7.554 -6.226 1.00 0.00 C ATOM 1120 O ASP A 74 -3.186 -6.352 -6.093 1.00 0.00 O ATOM 1121 CB ASP A 74 -4.757 -9.268 -6.453 1.00 0.00 C ATOM 1122 CG ASP A 74 -6.192 -8.873 -6.741 1.00 0.00 C ATOM 1123 OD1 ASP A 74 -6.569 -7.726 -6.418 1.00 0.00 O ATOM 1124 OD2 ASP A 74 -6.938 -9.709 -7.289 1.00 0.00 O ATOM 0 H ASP A 74 -3.034 -10.240 -7.927 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.286 -7.731 -7.883 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -4.609 -10.313 -6.724 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -4.569 -9.187 -5.383 1.00 0.00 H new ATOM 1129 N LEU A 75 -1.998 -8.188 -5.538 1.00 0.00 N ATOM 1130 CA LEU A 75 -1.160 -7.493 -4.564 1.00 0.00 C ATOM 1131 C LEU A 75 -0.302 -6.424 -5.239 1.00 0.00 C ATOM 1132 O LEU A 75 -0.259 -5.279 -4.788 1.00 0.00 O ATOM 1133 CB LEU A 75 -0.268 -8.494 -3.822 1.00 0.00 C ATOM 1134 CG LEU A 75 0.441 -7.939 -2.582 1.00 0.00 C ATOM 1135 CD1 LEU A 75 0.555 -9.012 -1.509 1.00 0.00 C ATOM 1136 CD2 LEU A 75 1.816 -7.400 -2.951 1.00 0.00 C ATOM 0 H LEU A 75 -1.791 -9.182 -5.638 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.815 -6.999 -3.846 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.877 -9.347 -3.522 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.485 -8.869 -4.515 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.153 -7.117 -2.183 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.061 -8.601 -0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.442 -9.350 -1.225 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.127 -9.855 -1.897 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.305 -7.010 -2.059 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.420 -8.203 -3.374 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.709 -6.601 -3.685 1.00 0.00 H new ATOM 1148 N GLU A 76 0.378 -6.805 -6.323 1.00 0.00 N ATOM 1149 CA GLU A 76 1.234 -5.874 -7.059 1.00 0.00 C ATOM 1150 C GLU A 76 0.415 -4.733 -7.661 1.00 0.00 C ATOM 1151 O GLU A 76 0.798 -3.567 -7.563 1.00 0.00 O ATOM 1152 CB GLU A 76 1.994 -6.610 -8.164 1.00 0.00 C ATOM 1153 CG GLU A 76 3.381 -7.074 -7.743 1.00 0.00 C ATOM 1154 CD GLU A 76 3.693 -8.483 -8.208 1.00 0.00 C ATOM 1155 OE1 GLU A 76 3.729 -8.710 -9.436 1.00 0.00 O ATOM 1156 OE2 GLU A 76 3.905 -9.360 -7.344 1.00 0.00 O ATOM 0 H GLU A 76 0.352 -7.749 -6.709 1.00 0.00 H new ATOM 0 HA GLU A 76 1.950 -5.449 -6.356 1.00 0.00 H new ATOM 0 HB2 GLU A 76 1.411 -7.475 -8.481 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.086 -5.954 -9.029 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.127 -6.389 -8.147 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.461 -7.028 -6.657 1.00 0.00 H new ATOM 1163 N LYS A 77 -0.717 -5.082 -8.277 1.00 0.00 N ATOM 1164 CA LYS A 77 -1.599 -4.090 -8.890 1.00 0.00 C ATOM 1165 C LYS A 77 -2.087 -3.081 -7.848 1.00 0.00 C ATOM 1166 O LYS A 77 -2.188 -1.887 -8.133 1.00 0.00 O ATOM 1167 CB LYS A 77 -2.794 -4.781 -9.555 1.00 0.00 C ATOM 1168 CG LYS A 77 -3.571 -3.885 -10.510 1.00 0.00 C ATOM 1169 CD LYS A 77 -3.181 -4.137 -11.960 1.00 0.00 C ATOM 1170 CE LYS A 77 -4.175 -5.054 -12.660 1.00 0.00 C ATOM 1171 NZ LYS A 77 -3.572 -5.739 -13.839 1.00 0.00 N ATOM 0 H LYS A 77 -1.043 -6.045 -8.364 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.033 -3.553 -9.651 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.438 -5.655 -10.101 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.470 -5.142 -8.780 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -4.640 -4.060 -10.385 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -3.387 -2.840 -10.260 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.125 -3.187 -12.492 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.187 -4.582 -11.997 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -4.538 -5.801 -11.954 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -5.039 -4.473 -12.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -4.283 -6.353 -14.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.249 -5.028 -14.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.763 -6.315 -13.530 1.00 0.00 H new ATOM 1185 N ASP A 78 -2.387 -3.571 -6.641 1.00 0.00 N ATOM 1186 CA ASP A 78 -2.861 -2.715 -5.557 1.00 0.00 C ATOM 1187 C ASP A 78 -1.782 -1.728 -5.116 1.00 0.00 C ATOM 1188 O ASP A 78 -2.050 -0.535 -4.971 1.00 0.00 O ATOM 1189 CB ASP A 78 -3.310 -3.563 -4.361 1.00 0.00 C ATOM 1190 CG ASP A 78 -4.171 -2.783 -3.384 1.00 0.00 C ATOM 1191 OD1 ASP A 78 -3.605 -2.064 -2.532 1.00 0.00 O ATOM 1192 OD2 ASP A 78 -5.411 -2.891 -3.472 1.00 0.00 O ATOM 0 H ASP A 78 -2.309 -4.557 -6.393 1.00 0.00 H new ATOM 0 HA ASP A 78 -3.712 -2.147 -5.933 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.868 -4.427 -4.722 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -2.432 -3.945 -3.841 1.00 0.00 H new ATOM 1197 N VAL A 79 -0.564 -2.230 -4.899 1.00 0.00 N ATOM 1198 CA VAL A 79 0.550 -1.382 -4.466 1.00 0.00 C ATOM 1199 C VAL A 79 0.834 -0.278 -5.482 1.00 0.00 C ATOM 1200 O VAL A 79 0.998 0.887 -5.113 1.00 0.00 O ATOM 1201 CB VAL A 79 1.843 -2.196 -4.238 1.00 0.00 C ATOM 1202 CG1 VAL A 79 2.939 -1.311 -3.655 1.00 0.00 C ATOM 1203 CG2 VAL A 79 1.579 -3.396 -3.334 1.00 0.00 C ATOM 0 H VAL A 79 -0.324 -3.215 -5.015 1.00 0.00 H new ATOM 0 HA VAL A 79 0.244 -0.937 -3.519 1.00 0.00 H new ATOM 0 HB VAL A 79 2.183 -2.570 -5.204 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.841 -1.903 -3.502 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.153 -0.495 -4.345 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.607 -0.902 -2.701 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.505 -3.953 -3.189 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.209 -3.050 -2.369 1.00 0.00 H new ATOM 0 HG23 VAL A 79 0.835 -4.044 -3.797 1.00 0.00 H new ATOM 1213 N MET A 80 0.889 -0.649 -6.761 1.00 0.00 N ATOM 1214 CA MET A 80 1.149 0.314 -7.828 1.00 0.00 C ATOM 1215 C MET A 80 0.002 1.318 -7.938 1.00 0.00 C ATOM 1216 O MET A 80 0.233 2.521 -8.063 1.00 0.00 O ATOM 1217 CB MET A 80 1.355 -0.409 -9.163 1.00 0.00 C ATOM 1218 CG MET A 80 2.683 -1.147 -9.257 1.00 0.00 C ATOM 1219 SD MET A 80 2.591 -2.618 -10.297 1.00 0.00 S ATOM 1220 CE MET A 80 3.754 -3.695 -9.461 1.00 0.00 C ATOM 0 H MET A 80 0.757 -1.608 -7.082 1.00 0.00 H new ATOM 0 HA MET A 80 2.061 0.859 -7.584 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.542 -1.120 -9.311 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.294 0.317 -9.973 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.441 -0.473 -9.655 1.00 0.00 H new ATOM 0 HG3 MET A 80 3.006 -1.434 -8.256 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.631 -4.715 -9.824 1.00 0.00 H new ATOM 0 HE2 MET A 80 4.771 -3.359 -9.663 1.00 0.00 H new ATOM 0 HE3 MET A 80 3.569 -3.667 -8.387 1.00 0.00 H new ATOM 1230 N LEU A 81 -1.232 0.815 -7.880 1.00 0.00 N ATOM 1231 CA LEU A 81 -2.421 1.662 -7.964 1.00 0.00 C ATOM 1232 C LEU A 81 -2.487 2.641 -6.787 1.00 0.00 C ATOM 1233 O LEU A 81 -2.847 3.808 -6.964 1.00 0.00 O ATOM 1234 CB LEU A 81 -3.685 0.794 -7.999 1.00 0.00 C ATOM 1235 CG LEU A 81 -5.008 1.560 -8.086 1.00 0.00 C ATOM 1236 CD1 LEU A 81 -6.018 0.784 -8.919 1.00 0.00 C ATOM 1237 CD2 LEU A 81 -5.557 1.835 -6.692 1.00 0.00 C ATOM 0 H LEU A 81 -1.434 -0.179 -7.775 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.359 2.243 -8.884 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.618 0.120 -8.853 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.703 0.173 -7.104 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.824 2.516 -8.575 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.953 1.342 -8.971 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.625 0.640 -9.926 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.200 -0.187 -8.458 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.497 2.380 -6.772 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.728 0.891 -6.175 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.839 2.431 -6.129 1.00 0.00 H new ATOM 1249 N LEU A 82 -2.138 2.160 -5.591 1.00 0.00 N ATOM 1250 CA LEU A 82 -2.157 2.992 -4.387 1.00 0.00 C ATOM 1251 C LEU A 82 -1.216 4.188 -4.532 1.00 0.00 C ATOM 1252 O LEU A 82 -1.587 5.319 -4.214 1.00 0.00 O ATOM 1253 CB LEU A 82 -1.755 2.163 -3.159 1.00 0.00 C ATOM 1254 CG LEU A 82 -2.314 2.657 -1.820 1.00 0.00 C ATOM 1255 CD1 LEU A 82 -1.898 1.720 -0.696 1.00 0.00 C ATOM 1256 CD2 LEU A 82 -1.848 4.078 -1.529 1.00 0.00 C ATOM 0 H LEU A 82 -1.839 1.198 -5.431 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.173 3.364 -4.253 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -2.083 1.135 -3.313 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.667 2.145 -3.095 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.402 2.663 -1.885 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.302 2.083 0.249 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.283 0.720 -0.895 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.810 1.685 -0.636 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.257 4.407 -0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.759 4.102 -1.485 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.194 4.743 -2.320 1.00 0.00 H new ATOM 1268 N CYS A 83 0.001 3.932 -5.017 1.00 0.00 N ATOM 1269 CA CYS A 83 0.991 4.993 -5.205 1.00 0.00 C ATOM 1270 C CYS A 83 0.496 6.023 -6.216 1.00 0.00 C ATOM 1271 O CYS A 83 0.590 7.230 -5.981 1.00 0.00 O ATOM 1272 CB CYS A 83 2.329 4.406 -5.664 1.00 0.00 C ATOM 1273 SG CYS A 83 3.630 5.639 -5.908 1.00 0.00 S ATOM 0 H CYS A 83 0.323 3.002 -5.286 1.00 0.00 H new ATOM 0 HA CYS A 83 1.137 5.491 -4.247 1.00 0.00 H new ATOM 0 HB2 CYS A 83 2.667 3.678 -4.926 1.00 0.00 H new ATOM 0 HB3 CYS A 83 2.175 3.866 -6.598 1.00 0.00 H new ATOM 0 HG CYS A 83 4.507 5.539 -4.954 1.00 0.00 H new ATOM 1279 N GLN A 84 -0.041 5.538 -7.337 1.00 0.00 N ATOM 1280 CA GLN A 84 -0.563 6.415 -8.384 1.00 0.00 C ATOM 1281 C GLN A 84 -1.684 7.299 -7.842 1.00 0.00 C ATOM 1282 O GLN A 84 -1.772 8.479 -8.181 1.00 0.00 O ATOM 1283 CB GLN A 84 -1.079 5.595 -9.573 1.00 0.00 C ATOM 1284 CG GLN A 84 -0.076 4.577 -10.095 1.00 0.00 C ATOM 1285 CD GLN A 84 0.356 4.859 -11.519 1.00 0.00 C ATOM 1286 OE1 GLN A 84 0.021 4.114 -12.439 1.00 0.00 O ATOM 1287 NE2 GLN A 84 1.105 5.939 -11.709 1.00 0.00 N ATOM 0 H GLN A 84 -0.125 4.542 -7.542 1.00 0.00 H new ATOM 0 HA GLN A 84 0.254 7.051 -8.723 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -1.990 5.075 -9.276 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -1.348 6.274 -10.382 1.00 0.00 H new ATOM 0 HG2 GLN A 84 0.801 4.572 -9.448 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -0.515 3.581 -10.044 1.00 0.00 H new ATOM 0 HE21 GLN A 84 1.359 6.529 -10.917 1.00 0.00 H new ATOM 0 HE22 GLN A 84 1.426 6.178 -12.647 1.00 0.00 H new ATOM 1296 N ASN A 85 -2.537 6.721 -6.992 1.00 0.00 N ATOM 1297 CA ASN A 85 -3.650 7.457 -6.399 1.00 0.00 C ATOM 1298 C ASN A 85 -3.148 8.628 -5.556 1.00 0.00 C ATOM 1299 O ASN A 85 -3.696 9.728 -5.627 1.00 0.00 O ATOM 1300 CB ASN A 85 -4.510 6.527 -5.537 1.00 0.00 C ATOM 1301 CG ASN A 85 -5.631 5.872 -6.324 1.00 0.00 C ATOM 1302 OD1 ASN A 85 -5.779 6.095 -7.527 1.00 0.00 O ATOM 1303 ND2 ASN A 85 -6.432 5.057 -5.648 1.00 0.00 N ATOM 0 H ASN A 85 -2.476 5.745 -6.701 1.00 0.00 H new ATOM 0 HA ASN A 85 -4.258 7.853 -7.212 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -3.877 5.754 -5.101 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -4.936 7.095 -4.710 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -7.203 4.589 -6.124 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -6.276 4.899 -4.653 1.00 0.00 H new ATOM 1310 N ALA A 86 -2.103 8.386 -4.763 1.00 0.00 N ATOM 1311 CA ALA A 86 -1.529 9.427 -3.911 1.00 0.00 C ATOM 1312 C ALA A 86 -1.051 10.618 -4.741 1.00 0.00 C ATOM 1313 O ALA A 86 -1.308 11.769 -4.388 1.00 0.00 O ATOM 1314 CB ALA A 86 -0.382 8.866 -3.083 1.00 0.00 C ATOM 0 H ALA A 86 -1.638 7.481 -4.693 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.311 9.776 -3.236 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.033 9.654 -2.455 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -0.750 8.056 -2.453 1.00 0.00 H new ATOM 0 HB3 ALA A 86 0.394 8.485 -3.747 1.00 0.00 H new ATOM 1320 N GLN A 87 -0.358 10.331 -5.843 1.00 0.00 N ATOM 1321 CA GLN A 87 0.153 11.377 -6.725 1.00 0.00 C ATOM 1322 C GLN A 87 -0.984 12.091 -7.458 1.00 0.00 C ATOM 1323 O GLN A 87 -0.875 13.274 -7.778 1.00 0.00 O ATOM 1324 CB GLN A 87 1.141 10.789 -7.733 1.00 0.00 C ATOM 1325 CG GLN A 87 2.346 10.131 -7.080 1.00 0.00 C ATOM 1326 CD GLN A 87 3.268 9.466 -8.084 1.00 0.00 C ATOM 1327 OE1 GLN A 87 2.832 8.663 -8.908 1.00 0.00 O ATOM 1328 NE2 GLN A 87 4.556 9.791 -8.014 1.00 0.00 N ATOM 0 H GLN A 87 -0.138 9.382 -6.145 1.00 0.00 H new ATOM 0 HA GLN A 87 0.670 12.111 -6.107 1.00 0.00 H new ATOM 0 HB2 GLN A 87 0.625 10.054 -8.351 1.00 0.00 H new ATOM 0 HB3 GLN A 87 1.484 11.581 -8.399 1.00 0.00 H new ATOM 0 HG2 GLN A 87 2.905 10.881 -6.521 1.00 0.00 H new ATOM 0 HG3 GLN A 87 2.003 9.388 -6.361 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.875 10.462 -7.315 1.00 0.00 H new ATOM 0 HE22 GLN A 87 5.224 9.369 -8.659 1.00 0.00 H new ATOM 1337 N THR A 88 -2.080 11.371 -7.711 1.00 0.00 N ATOM 1338 CA THR A 88 -3.238 11.951 -8.391 1.00 0.00 C ATOM 1339 C THR A 88 -3.835 13.104 -7.574 1.00 0.00 C ATOM 1340 O THR A 88 -4.389 14.048 -8.138 1.00 0.00 O ATOM 1341 CB THR A 88 -4.304 10.877 -8.640 1.00 0.00 C ATOM 1342 OG1 THR A 88 -3.778 9.814 -9.413 1.00 0.00 O ATOM 1343 CG2 THR A 88 -5.527 11.401 -9.360 1.00 0.00 C ATOM 0 H THR A 88 -2.189 10.389 -7.456 1.00 0.00 H new ATOM 0 HA THR A 88 -2.902 12.347 -9.349 1.00 0.00 H new ATOM 0 HB THR A 88 -4.602 10.536 -7.649 1.00 0.00 H new ATOM 0 HG1 THR A 88 -3.069 9.363 -8.909 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.240 10.589 -9.504 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.989 12.189 -8.766 1.00 0.00 H new ATOM 0 HG23 THR A 88 -5.234 11.802 -10.330 1.00 0.00 H new ATOM 1351 N PHE A 89 -3.717 13.021 -6.247 1.00 0.00 N ATOM 1352 CA PHE A 89 -4.246 14.057 -5.361 1.00 0.00 C ATOM 1353 C PHE A 89 -3.169 15.081 -4.997 1.00 0.00 C ATOM 1354 O PHE A 89 -3.421 16.287 -5.013 1.00 0.00 O ATOM 1355 CB PHE A 89 -4.819 13.420 -4.090 1.00 0.00 C ATOM 1356 CG PHE A 89 -5.760 14.314 -3.328 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -6.885 14.844 -3.940 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -5.522 14.619 -1.997 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -7.752 15.661 -3.241 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -6.385 15.436 -1.293 1.00 0.00 C ATOM 1361 CZ PHE A 89 -7.502 15.957 -1.916 1.00 0.00 C ATOM 0 H PHE A 89 -3.260 12.247 -5.764 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.042 14.580 -5.891 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.344 12.503 -4.360 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.995 13.135 -3.436 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.086 14.615 -4.976 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.651 14.213 -1.504 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -8.625 16.068 -3.730 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.187 15.667 -0.257 1.00 0.00 H new ATOM 0 HZ PHE A 89 -8.179 16.595 -1.367 1.00 0.00 H new ATOM 1371 N ASN A 90 -1.971 14.595 -4.663 1.00 0.00 N ATOM 1372 CA ASN A 90 -0.860 15.473 -4.289 1.00 0.00 C ATOM 1373 C ASN A 90 -0.006 15.843 -5.505 1.00 0.00 C ATOM 1374 O ASN A 90 0.515 14.968 -6.198 1.00 0.00 O ATOM 1375 CB ASN A 90 0.006 14.799 -3.219 1.00 0.00 C ATOM 1376 CG ASN A 90 0.125 15.638 -1.962 1.00 0.00 C ATOM 1377 OD1 ASN A 90 1.141 16.289 -1.731 1.00 0.00 O ATOM 1378 ND2 ASN A 90 -0.916 15.625 -1.136 1.00 0.00 N ATOM 0 H ASN A 90 -1.746 13.600 -4.644 1.00 0.00 H new ATOM 0 HA ASN A 90 -1.280 16.393 -3.884 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -0.422 13.829 -2.966 1.00 0.00 H new ATOM 0 HB3 ASN A 90 1.001 14.613 -3.624 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -0.890 16.169 -0.274 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -1.741 15.071 -1.364 1.00 0.00 H new ATOM 1385 N LEU A 91 0.132 17.148 -5.748 1.00 0.00 N ATOM 1386 CA LEU A 91 0.919 17.654 -6.875 1.00 0.00 C ATOM 1387 C LEU A 91 2.412 17.709 -6.533 1.00 0.00 C ATOM 1388 O LEU A 91 2.829 17.282 -5.453 1.00 0.00 O ATOM 1389 CB LEU A 91 0.420 19.049 -7.282 1.00 0.00 C ATOM 1390 CG LEU A 91 -0.619 19.068 -8.408 1.00 0.00 C ATOM 1391 CD1 LEU A 91 -1.354 20.401 -8.435 1.00 0.00 C ATOM 1392 CD2 LEU A 91 0.040 18.794 -9.754 1.00 0.00 C ATOM 0 H LEU A 91 -0.294 17.877 -5.176 1.00 0.00 H new ATOM 0 HA LEU A 91 0.790 16.967 -7.711 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.009 19.534 -6.405 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.277 19.648 -7.590 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.345 18.278 -8.216 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.088 20.396 -9.241 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.862 20.556 -7.483 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.639 21.207 -8.600 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.716 18.812 -10.539 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.790 19.559 -9.954 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.518 17.814 -9.733 1.00 0.00 H new ATOM 1404 N GLU A 92 3.211 18.235 -7.465 1.00 0.00 N ATOM 1405 CA GLU A 92 4.654 18.348 -7.276 1.00 0.00 C ATOM 1406 C GLU A 92 4.989 19.400 -6.225 1.00 0.00 C ATOM 1407 O GLU A 92 4.491 20.527 -6.274 1.00 0.00 O ATOM 1408 CB GLU A 92 5.348 18.701 -8.595 1.00 0.00 C ATOM 1409 CG GLU A 92 5.107 17.688 -9.706 1.00 0.00 C ATOM 1410 CD GLU A 92 3.911 18.043 -10.570 1.00 0.00 C ATOM 1411 OE1 GLU A 92 3.963 19.085 -11.258 1.00 0.00 O ATOM 1412 OE2 GLU A 92 2.923 17.282 -10.553 1.00 0.00 O ATOM 0 H GLU A 92 2.878 18.590 -8.361 1.00 0.00 H new ATOM 0 HA GLU A 92 5.016 17.380 -6.930 1.00 0.00 H new ATOM 0 HB2 GLU A 92 5.001 19.680 -8.927 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.420 18.786 -8.419 1.00 0.00 H new ATOM 0 HG2 GLU A 92 5.997 17.623 -10.332 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.954 16.702 -9.267 1.00 0.00 H new ATOM 1419 N GLY A 93 5.838 19.016 -5.281 1.00 0.00 N ATOM 1420 CA GLY A 93 6.245 19.920 -4.219 1.00 0.00 C ATOM 1421 C GLY A 93 5.601 19.576 -2.894 1.00 0.00 C ATOM 1422 O GLY A 93 4.793 20.346 -2.372 1.00 0.00 O ATOM 0 H GLY A 93 6.256 18.087 -5.231 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.329 19.887 -4.113 1.00 0.00 H new ATOM 0 HA3 GLY A 93 5.982 20.942 -4.494 1.00 0.00 H new ATOM 1426 N SER A 94 5.953 18.410 -2.352 1.00 0.00 N ATOM 1427 CA SER A 94 5.396 17.956 -1.080 1.00 0.00 C ATOM 1428 C SER A 94 6.123 16.714 -0.573 1.00 0.00 C ATOM 1429 O SER A 94 6.585 15.888 -1.365 1.00 0.00 O ATOM 1430 CB SER A 94 3.898 17.656 -1.229 1.00 0.00 C ATOM 1431 OG SER A 94 3.571 17.300 -2.564 1.00 0.00 O ATOM 0 H SER A 94 6.620 17.764 -2.774 1.00 0.00 H new ATOM 0 HA SER A 94 5.531 18.756 -0.352 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.619 16.845 -0.556 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.319 18.530 -0.932 1.00 0.00 H new ATOM 0 HG SER A 94 2.685 16.881 -2.583 1.00 0.00 H new ATOM 1437 N LEU A 95 6.216 16.586 0.751 1.00 0.00 N ATOM 1438 CA LEU A 95 6.881 15.439 1.370 1.00 0.00 C ATOM 1439 C LEU A 95 6.189 14.133 0.983 1.00 0.00 C ATOM 1440 O LEU A 95 6.849 13.117 0.765 1.00 0.00 O ATOM 1441 CB LEU A 95 6.909 15.587 2.896 1.00 0.00 C ATOM 1442 CG LEU A 95 8.143 16.301 3.457 1.00 0.00 C ATOM 1443 CD1 LEU A 95 7.970 17.812 3.388 1.00 0.00 C ATOM 1444 CD2 LEU A 95 8.410 15.858 4.889 1.00 0.00 C ATOM 0 H LEU A 95 5.839 17.262 1.415 1.00 0.00 H new ATOM 0 HA LEU A 95 7.907 15.409 1.002 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.019 16.133 3.209 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.848 14.595 3.343 1.00 0.00 H new ATOM 0 HG LEU A 95 9.003 16.029 2.845 1.00 0.00 H new ATOM 0 HD11 LEU A 95 8.858 18.299 3.792 1.00 0.00 H new ATOM 0 HD12 LEU A 95 7.830 18.115 2.350 1.00 0.00 H new ATOM 0 HD13 LEU A 95 7.098 18.105 3.973 1.00 0.00 H new ATOM 0 HD21 LEU A 95 9.290 16.375 5.272 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.548 16.099 5.511 1.00 0.00 H new ATOM 0 HD23 LEU A 95 8.583 14.782 4.911 1.00 0.00 H new ATOM 1456 N ILE A 96 4.858 14.169 0.893 1.00 0.00 N ATOM 1457 CA ILE A 96 4.079 12.986 0.525 1.00 0.00 C ATOM 1458 C ILE A 96 4.422 12.518 -0.891 1.00 0.00 C ATOM 1459 O ILE A 96 4.600 11.323 -1.128 1.00 0.00 O ATOM 1460 CB ILE A 96 2.557 13.245 0.611 1.00 0.00 C ATOM 1461 CG1 ILE A 96 2.178 13.813 1.984 1.00 0.00 C ATOM 1462 CG2 ILE A 96 1.785 11.961 0.336 1.00 0.00 C ATOM 1463 CD1 ILE A 96 0.810 14.462 2.014 1.00 0.00 C ATOM 0 H ILE A 96 4.298 15.003 1.070 1.00 0.00 H new ATOM 0 HA ILE A 96 4.343 12.209 1.242 1.00 0.00 H new ATOM 0 HB ILE A 96 2.292 13.981 -0.148 1.00 0.00 H new ATOM 0 HG12 ILE A 96 2.206 13.010 2.721 1.00 0.00 H new ATOM 0 HG13 ILE A 96 2.926 14.547 2.284 1.00 0.00 H new ATOM 0 HG21 ILE A 96 0.715 12.159 0.400 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.028 11.597 -0.662 1.00 0.00 H new ATOM 0 HG23 ILE A 96 2.059 11.207 1.073 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.609 14.841 3.016 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.783 15.287 1.302 1.00 0.00 H new ATOM 0 HD13 ILE A 96 0.052 13.726 1.746 1.00 0.00 H new ATOM 1475 N TYR A 97 4.512 13.467 -1.827 1.00 0.00 N ATOM 1476 CA TYR A 97 4.835 13.144 -3.216 1.00 0.00 C ATOM 1477 C TYR A 97 6.223 12.512 -3.319 1.00 0.00 C ATOM 1478 O TYR A 97 6.399 11.498 -3.993 1.00 0.00 O ATOM 1479 CB TYR A 97 4.758 14.399 -4.091 1.00 0.00 C ATOM 1480 CG TYR A 97 4.895 14.123 -5.573 1.00 0.00 C ATOM 1481 CD1 TYR A 97 3.891 13.465 -6.273 1.00 0.00 C ATOM 1482 CD2 TYR A 97 6.028 14.523 -6.271 1.00 0.00 C ATOM 1483 CE1 TYR A 97 4.014 13.213 -7.626 1.00 0.00 C ATOM 1484 CE2 TYR A 97 6.157 14.275 -7.623 1.00 0.00 C ATOM 1485 CZ TYR A 97 5.147 13.621 -8.297 1.00 0.00 C ATOM 1486 OH TYR A 97 5.271 13.371 -9.645 1.00 0.00 O ATOM 0 H TYR A 97 4.366 14.460 -1.648 1.00 0.00 H new ATOM 0 HA TYR A 97 4.101 12.422 -3.575 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.806 14.898 -3.911 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.543 15.091 -3.786 1.00 0.00 H new ATOM 0 HD1 TYR A 97 3.001 13.146 -5.751 1.00 0.00 H new ATOM 0 HD2 TYR A 97 6.821 15.036 -5.747 1.00 0.00 H new ATOM 0 HE1 TYR A 97 3.226 12.699 -8.156 1.00 0.00 H new ATOM 0 HE2 TYR A 97 7.045 14.592 -8.150 1.00 0.00 H new ATOM 0 HH TYR A 97 6.127 13.724 -9.966 1.00 0.00 H new ATOM 1496 N GLU A 98 7.200 13.112 -2.636 1.00 0.00 N ATOM 1497 CA GLU A 98 8.571 12.597 -2.643 1.00 0.00 C ATOM 1498 C GLU A 98 8.618 11.185 -2.065 1.00 0.00 C ATOM 1499 O GLU A 98 9.265 10.298 -2.625 1.00 0.00 O ATOM 1500 CB GLU A 98 9.493 13.513 -1.834 1.00 0.00 C ATOM 1501 CG GLU A 98 10.969 13.342 -2.166 1.00 0.00 C ATOM 1502 CD GLU A 98 11.856 13.289 -0.934 1.00 0.00 C ATOM 1503 OE1 GLU A 98 11.584 14.034 0.033 1.00 0.00 O ATOM 1504 OE2 GLU A 98 12.827 12.503 -0.938 1.00 0.00 O ATOM 0 H GLU A 98 7.068 13.952 -2.073 1.00 0.00 H new ATOM 0 HA GLU A 98 8.915 12.569 -3.677 1.00 0.00 H new ATOM 0 HB2 GLU A 98 9.207 14.550 -2.011 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.343 13.318 -0.772 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.102 12.426 -2.741 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.290 14.167 -2.802 1.00 0.00 H new ATOM 1511 N ASP A 99 7.925 10.989 -0.941 1.00 0.00 N ATOM 1512 CA ASP A 99 7.879 9.689 -0.274 1.00 0.00 C ATOM 1513 C ASP A 99 7.260 8.624 -1.177 1.00 0.00 C ATOM 1514 O ASP A 99 7.753 7.496 -1.240 1.00 0.00 O ATOM 1515 CB ASP A 99 7.083 9.789 1.031 1.00 0.00 C ATOM 1516 CG ASP A 99 7.956 10.153 2.218 1.00 0.00 C ATOM 1517 OD1 ASP A 99 8.674 11.173 2.140 1.00 0.00 O ATOM 1518 OD2 ASP A 99 7.918 9.419 3.227 1.00 0.00 O ATOM 0 H ASP A 99 7.387 11.718 -0.473 1.00 0.00 H new ATOM 0 HA ASP A 99 8.904 9.394 -0.050 1.00 0.00 H new ATOM 0 HB2 ASP A 99 6.299 10.537 0.918 1.00 0.00 H new ATOM 0 HB3 ASP A 99 6.589 8.837 1.226 1.00 0.00 H new ATOM 1523 N SER A 100 6.184 8.986 -1.878 1.00 0.00 N ATOM 1524 CA SER A 100 5.508 8.052 -2.777 1.00 0.00 C ATOM 1525 C SER A 100 6.460 7.554 -3.867 1.00 0.00 C ATOM 1526 O SER A 100 6.376 6.402 -4.294 1.00 0.00 O ATOM 1527 CB SER A 100 4.271 8.707 -3.403 1.00 0.00 C ATOM 1528 OG SER A 100 4.613 9.510 -4.521 1.00 0.00 O ATOM 0 H SER A 100 5.764 9.915 -1.840 1.00 0.00 H new ATOM 0 HA SER A 100 5.186 7.192 -2.190 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.567 7.934 -3.711 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.766 9.319 -2.656 1.00 0.00 H new ATOM 0 HG SER A 100 5.368 10.090 -4.288 1.00 0.00 H new ATOM 1534 N ILE A 101 7.374 8.422 -4.306 1.00 0.00 N ATOM 1535 CA ILE A 101 8.343 8.052 -5.332 1.00 0.00 C ATOM 1536 C ILE A 101 9.386 7.085 -4.774 1.00 0.00 C ATOM 1537 O ILE A 101 9.775 6.129 -5.446 1.00 0.00 O ATOM 1538 CB ILE A 101 9.062 9.287 -5.926 1.00 0.00 C ATOM 1539 CG1 ILE A 101 8.041 10.332 -6.388 1.00 0.00 C ATOM 1540 CG2 ILE A 101 9.958 8.871 -7.087 1.00 0.00 C ATOM 1541 CD1 ILE A 101 8.553 11.754 -6.315 1.00 0.00 C ATOM 0 H ILE A 101 7.461 9.380 -3.967 1.00 0.00 H new ATOM 0 HA ILE A 101 7.781 7.565 -6.129 1.00 0.00 H new ATOM 0 HB ILE A 101 9.683 9.732 -5.149 1.00 0.00 H new ATOM 0 HG12 ILE A 101 7.748 10.112 -7.415 1.00 0.00 H new ATOM 0 HG13 ILE A 101 7.143 10.246 -5.776 1.00 0.00 H new ATOM 0 HG21 ILE A 101 10.457 9.750 -7.495 1.00 0.00 H new ATOM 0 HG22 ILE A 101 10.705 8.161 -6.733 1.00 0.00 H new ATOM 0 HG23 ILE A 101 9.353 8.404 -7.864 1.00 0.00 H new ATOM 0 HD11 ILE A 101 7.777 12.438 -6.657 1.00 0.00 H new ATOM 0 HD12 ILE A 101 8.819 11.993 -5.285 1.00 0.00 H new ATOM 0 HD13 ILE A 101 9.433 11.857 -6.950 1.00 0.00 H new ATOM 1553 N VAL A 102 9.836 7.338 -3.542 1.00 0.00 N ATOM 1554 CA VAL A 102 10.835 6.486 -2.900 1.00 0.00 C ATOM 1555 C VAL A 102 10.313 5.061 -2.709 1.00 0.00 C ATOM 1556 O VAL A 102 10.993 4.095 -3.063 1.00 0.00 O ATOM 1557 CB VAL A 102 11.274 7.044 -1.529 1.00 0.00 C ATOM 1558 CG1 VAL A 102 12.449 6.246 -0.981 1.00 0.00 C ATOM 1559 CG2 VAL A 102 11.626 8.523 -1.632 1.00 0.00 C ATOM 0 H VAL A 102 9.524 8.124 -2.972 1.00 0.00 H new ATOM 0 HA VAL A 102 11.697 6.471 -3.567 1.00 0.00 H new ATOM 0 HB VAL A 102 10.438 6.945 -0.836 1.00 0.00 H new ATOM 0 HG11 VAL A 102 12.746 6.653 -0.014 1.00 0.00 H new ATOM 0 HG12 VAL A 102 12.156 5.203 -0.862 1.00 0.00 H new ATOM 0 HG13 VAL A 102 13.288 6.310 -1.674 1.00 0.00 H new ATOM 0 HG21 VAL A 102 11.932 8.893 -0.654 1.00 0.00 H new ATOM 0 HG22 VAL A 102 12.443 8.654 -2.341 1.00 0.00 H new ATOM 0 HG23 VAL A 102 10.755 9.081 -1.975 1.00 0.00 H new ATOM 1569 N LEU A 103 9.105 4.936 -2.153 1.00 0.00 N ATOM 1570 CA LEU A 103 8.504 3.621 -1.924 1.00 0.00 C ATOM 1571 C LEU A 103 8.252 2.899 -3.249 1.00 0.00 C ATOM 1572 O LEU A 103 8.478 1.693 -3.359 1.00 0.00 O ATOM 1573 CB LEU A 103 7.201 3.737 -1.117 1.00 0.00 C ATOM 1574 CG LEU A 103 6.134 4.674 -1.695 1.00 0.00 C ATOM 1575 CD1 LEU A 103 5.210 3.923 -2.645 1.00 0.00 C ATOM 1576 CD2 LEU A 103 5.333 5.319 -0.572 1.00 0.00 C ATOM 0 H LEU A 103 8.528 5.723 -1.855 1.00 0.00 H new ATOM 0 HA LEU A 103 9.211 3.032 -1.340 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.768 2.742 -1.019 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.449 4.077 -0.111 1.00 0.00 H new ATOM 0 HG LEU A 103 6.637 5.458 -2.261 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.461 4.609 -3.042 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.793 3.507 -3.466 1.00 0.00 H new ATOM 0 HD13 LEU A 103 4.713 3.116 -2.107 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.579 5.982 -0.997 1.00 0.00 H new ATOM 0 HD22 LEU A 103 4.844 4.544 0.018 1.00 0.00 H new ATOM 0 HD23 LEU A 103 6.002 5.894 0.068 1.00 0.00 H new ATOM 1588 N GLN A 104 7.790 3.644 -4.255 1.00 0.00 N ATOM 1589 CA GLN A 104 7.520 3.075 -5.572 1.00 0.00 C ATOM 1590 C GLN A 104 8.808 2.601 -6.243 1.00 0.00 C ATOM 1591 O GLN A 104 8.834 1.535 -6.856 1.00 0.00 O ATOM 1592 CB GLN A 104 6.817 4.101 -6.468 1.00 0.00 C ATOM 1593 CG GLN A 104 6.303 3.519 -7.779 1.00 0.00 C ATOM 1594 CD GLN A 104 5.360 2.346 -7.574 1.00 0.00 C ATOM 1595 OE1 GLN A 104 4.142 2.512 -7.535 1.00 0.00 O ATOM 1596 NE2 GLN A 104 5.922 1.147 -7.439 1.00 0.00 N ATOM 0 H GLN A 104 7.596 4.643 -4.180 1.00 0.00 H new ATOM 0 HA GLN A 104 6.866 2.215 -5.432 1.00 0.00 H new ATOM 0 HB2 GLN A 104 5.980 4.535 -5.921 1.00 0.00 H new ATOM 0 HB3 GLN A 104 7.510 4.913 -6.688 1.00 0.00 H new ATOM 0 HG2 GLN A 104 5.788 4.299 -8.340 1.00 0.00 H new ATOM 0 HG3 GLN A 104 7.150 3.197 -8.385 1.00 0.00 H new ATOM 0 HE21 GLN A 104 6.937 1.052 -7.477 1.00 0.00 H new ATOM 0 HE22 GLN A 104 5.338 0.323 -7.297 1.00 0.00 H new ATOM 1605 N SER A 105 9.872 3.401 -6.124 1.00 0.00 N ATOM 1606 CA SER A 105 11.163 3.063 -6.728 1.00 0.00 C ATOM 1607 C SER A 105 11.696 1.742 -6.176 1.00 0.00 C ATOM 1608 O SER A 105 12.098 0.860 -6.939 1.00 0.00 O ATOM 1609 CB SER A 105 12.180 4.184 -6.485 1.00 0.00 C ATOM 1610 OG SER A 105 13.007 4.374 -7.620 1.00 0.00 O ATOM 0 H SER A 105 9.864 4.285 -5.616 1.00 0.00 H new ATOM 0 HA SER A 105 11.012 2.951 -7.802 1.00 0.00 H new ATOM 0 HB2 SER A 105 11.656 5.111 -6.253 1.00 0.00 H new ATOM 0 HB3 SER A 105 12.795 3.940 -5.619 1.00 0.00 H new ATOM 0 HG SER A 105 13.646 5.095 -7.442 1.00 0.00 H new ATOM 1616 N VAL A 106 11.687 1.602 -4.849 1.00 0.00 N ATOM 1617 CA VAL A 106 12.163 0.379 -4.213 1.00 0.00 C ATOM 1618 C VAL A 106 11.260 -0.805 -4.558 1.00 0.00 C ATOM 1619 O VAL A 106 11.747 -1.912 -4.790 1.00 0.00 O ATOM 1620 CB VAL A 106 12.269 0.520 -2.676 1.00 0.00 C ATOM 1621 CG1 VAL A 106 10.914 0.825 -2.050 1.00 0.00 C ATOM 1622 CG2 VAL A 106 12.874 -0.738 -2.073 1.00 0.00 C ATOM 0 H VAL A 106 11.357 2.317 -4.200 1.00 0.00 H new ATOM 0 HA VAL A 106 13.164 0.196 -4.604 1.00 0.00 H new ATOM 0 HB VAL A 106 12.926 1.362 -2.458 1.00 0.00 H new ATOM 0 HG11 VAL A 106 11.025 0.918 -0.970 1.00 0.00 H new ATOM 0 HG12 VAL A 106 10.527 1.760 -2.457 1.00 0.00 H new ATOM 0 HG13 VAL A 106 10.219 0.016 -2.275 1.00 0.00 H new ATOM 0 HG21 VAL A 106 12.943 -0.626 -0.991 1.00 0.00 H new ATOM 0 HG22 VAL A 106 12.243 -1.595 -2.309 1.00 0.00 H new ATOM 0 HG23 VAL A 106 13.870 -0.896 -2.486 1.00 0.00 H new ATOM 1632 N PHE A 107 9.945 -0.564 -4.603 1.00 0.00 N ATOM 1633 CA PHE A 107 8.984 -1.616 -4.931 1.00 0.00 C ATOM 1634 C PHE A 107 9.261 -2.194 -6.316 1.00 0.00 C ATOM 1635 O PHE A 107 9.186 -3.408 -6.512 1.00 0.00 O ATOM 1636 CB PHE A 107 7.549 -1.086 -4.866 1.00 0.00 C ATOM 1637 CG PHE A 107 6.582 -2.063 -4.255 1.00 0.00 C ATOM 1638 CD1 PHE A 107 5.920 -2.991 -5.044 1.00 0.00 C ATOM 1639 CD2 PHE A 107 6.344 -2.059 -2.889 1.00 0.00 C ATOM 1640 CE1 PHE A 107 5.038 -3.895 -4.482 1.00 0.00 C ATOM 1641 CE2 PHE A 107 5.463 -2.960 -2.323 1.00 0.00 C ATOM 1642 CZ PHE A 107 4.809 -3.879 -3.120 1.00 0.00 C ATOM 0 H PHE A 107 9.526 0.347 -4.417 1.00 0.00 H new ATOM 0 HA PHE A 107 9.098 -2.409 -4.192 1.00 0.00 H new ATOM 0 HB2 PHE A 107 7.536 -0.162 -4.288 1.00 0.00 H new ATOM 0 HB3 PHE A 107 7.215 -0.836 -5.873 1.00 0.00 H new ATOM 0 HD1 PHE A 107 6.095 -3.008 -6.110 1.00 0.00 H new ATOM 0 HD2 PHE A 107 6.853 -1.343 -2.260 1.00 0.00 H new ATOM 0 HE1 PHE A 107 4.528 -4.613 -5.107 1.00 0.00 H new ATOM 0 HE2 PHE A 107 5.286 -2.946 -1.258 1.00 0.00 H new ATOM 0 HZ PHE A 107 4.120 -4.584 -2.679 1.00 0.00 H new ATOM 1652 N THR A 108 9.589 -1.320 -7.274 1.00 0.00 N ATOM 1653 CA THR A 108 9.883 -1.759 -8.638 1.00 0.00 C ATOM 1654 C THR A 108 11.095 -2.689 -8.650 1.00 0.00 C ATOM 1655 O THR A 108 11.075 -3.735 -9.297 1.00 0.00 O ATOM 1656 CB THR A 108 10.146 -0.559 -9.560 1.00 0.00 C ATOM 1657 OG1 THR A 108 9.297 0.532 -9.248 1.00 0.00 O ATOM 1658 CG2 THR A 108 9.949 -0.881 -11.025 1.00 0.00 C ATOM 0 H THR A 108 9.657 -0.313 -7.130 1.00 0.00 H new ATOM 0 HA THR A 108 9.011 -2.299 -9.008 1.00 0.00 H new ATOM 0 HB THR A 108 11.191 -0.299 -9.388 1.00 0.00 H new ATOM 0 HG1 THR A 108 9.590 0.945 -8.409 1.00 0.00 H new ATOM 0 HG21 THR A 108 10.150 0.008 -11.623 1.00 0.00 H new ATOM 0 HG22 THR A 108 10.633 -1.678 -11.318 1.00 0.00 H new ATOM 0 HG23 THR A 108 8.922 -1.205 -11.191 1.00 0.00 H new ATOM 1666 N SER A 109 12.146 -2.301 -7.921 1.00 0.00 N ATOM 1667 CA SER A 109 13.364 -3.104 -7.844 1.00 0.00 C ATOM 1668 C SER A 109 13.086 -4.453 -7.179 1.00 0.00 C ATOM 1669 O SER A 109 13.600 -5.484 -7.618 1.00 0.00 O ATOM 1670 CB SER A 109 14.455 -2.354 -7.071 1.00 0.00 C ATOM 1671 OG SER A 109 15.741 -2.639 -7.596 1.00 0.00 O ATOM 0 H SER A 109 12.175 -1.438 -7.378 1.00 0.00 H new ATOM 0 HA SER A 109 13.713 -3.284 -8.861 1.00 0.00 H new ATOM 0 HB2 SER A 109 14.268 -1.281 -7.121 1.00 0.00 H new ATOM 0 HB3 SER A 109 14.418 -2.635 -6.019 1.00 0.00 H new ATOM 0 HG SER A 109 16.419 -2.147 -7.087 1.00 0.00 H new ATOM 1677 N VAL A 110 12.268 -4.439 -6.124 1.00 0.00 N ATOM 1678 CA VAL A 110 11.921 -5.665 -5.407 1.00 0.00 C ATOM 1679 C VAL A 110 11.092 -6.597 -6.289 1.00 0.00 C ATOM 1680 O VAL A 110 11.400 -7.783 -6.407 1.00 0.00 O ATOM 1681 CB VAL A 110 11.141 -5.373 -4.105 1.00 0.00 C ATOM 1682 CG1 VAL A 110 10.897 -6.660 -3.327 1.00 0.00 C ATOM 1683 CG2 VAL A 110 11.882 -4.357 -3.244 1.00 0.00 C ATOM 0 H VAL A 110 11.836 -3.595 -5.749 1.00 0.00 H new ATOM 0 HA VAL A 110 12.862 -6.150 -5.145 1.00 0.00 H new ATOM 0 HB VAL A 110 10.175 -4.946 -4.376 1.00 0.00 H new ATOM 0 HG11 VAL A 110 10.347 -6.434 -2.414 1.00 0.00 H new ATOM 0 HG12 VAL A 110 10.317 -7.351 -3.939 1.00 0.00 H new ATOM 0 HG13 VAL A 110 11.853 -7.117 -3.071 1.00 0.00 H new ATOM 0 HG21 VAL A 110 11.313 -4.168 -2.334 1.00 0.00 H new ATOM 0 HG22 VAL A 110 12.865 -4.749 -2.983 1.00 0.00 H new ATOM 0 HG23 VAL A 110 11.998 -3.426 -3.799 1.00 0.00 H new ATOM 1693 N ARG A 111 10.045 -6.054 -6.912 1.00 0.00 N ATOM 1694 CA ARG A 111 9.178 -6.841 -7.788 1.00 0.00 C ATOM 1695 C ARG A 111 9.978 -7.461 -8.931 1.00 0.00 C ATOM 1696 O ARG A 111 9.822 -8.646 -9.234 1.00 0.00 O ATOM 1697 CB ARG A 111 8.051 -5.973 -8.351 1.00 0.00 C ATOM 1698 CG ARG A 111 6.989 -6.765 -9.099 1.00 0.00 C ATOM 1699 CD ARG A 111 6.330 -5.932 -10.187 1.00 0.00 C ATOM 1700 NE ARG A 111 6.582 -6.474 -11.524 1.00 0.00 N ATOM 1701 CZ ARG A 111 6.008 -6.012 -12.639 1.00 0.00 C ATOM 1702 NH1 ARG A 111 5.153 -4.993 -12.585 1.00 0.00 N ATOM 1703 NH2 ARG A 111 6.290 -6.570 -13.810 1.00 0.00 N ATOM 0 H ARG A 111 9.778 -5.073 -6.826 1.00 0.00 H new ATOM 0 HA ARG A 111 8.742 -7.644 -7.194 1.00 0.00 H new ATOM 0 HB2 ARG A 111 7.578 -5.430 -7.533 1.00 0.00 H new ATOM 0 HB3 ARG A 111 8.478 -5.229 -9.023 1.00 0.00 H new ATOM 0 HG2 ARG A 111 7.441 -7.652 -9.543 1.00 0.00 H new ATOM 0 HG3 ARG A 111 6.231 -7.112 -8.396 1.00 0.00 H new ATOM 0 HD2 ARG A 111 5.255 -5.890 -10.010 1.00 0.00 H new ATOM 0 HD3 ARG A 111 6.702 -4.909 -10.135 1.00 0.00 H new ATOM 0 HE ARG A 111 7.236 -7.252 -11.609 1.00 0.00 H new ATOM 0 HH11 ARG A 111 4.932 -4.560 -11.688 1.00 0.00 H new ATOM 0 HH12 ARG A 111 4.719 -4.646 -13.440 1.00 0.00 H new ATOM 0 HH21 ARG A 111 6.944 -7.351 -13.858 1.00 0.00 H new ATOM 0 HH22 ARG A 111 5.852 -6.218 -14.661 1.00 0.00 H new ATOM 1717 N GLN A 112 10.839 -6.657 -9.558 1.00 0.00 N ATOM 1718 CA GLN A 112 11.670 -7.133 -10.663 1.00 0.00 C ATOM 1719 C GLN A 112 12.553 -8.295 -10.210 1.00 0.00 C ATOM 1720 O GLN A 112 12.810 -9.225 -10.977 1.00 0.00 O ATOM 1721 CB GLN A 112 12.534 -5.999 -11.217 1.00 0.00 C ATOM 1722 CG GLN A 112 11.768 -5.036 -12.111 1.00 0.00 C ATOM 1723 CD GLN A 112 12.682 -4.149 -12.934 1.00 0.00 C ATOM 1724 OE1 GLN A 112 12.992 -4.457 -14.084 1.00 0.00 O ATOM 1725 NE2 GLN A 112 13.117 -3.040 -12.346 1.00 0.00 N ATOM 0 H GLN A 112 10.978 -5.675 -9.319 1.00 0.00 H new ATOM 0 HA GLN A 112 11.010 -7.485 -11.456 1.00 0.00 H new ATOM 0 HB2 GLN A 112 12.968 -5.444 -10.386 1.00 0.00 H new ATOM 0 HB3 GLN A 112 13.362 -6.426 -11.782 1.00 0.00 H new ATOM 0 HG2 GLN A 112 11.121 -5.604 -12.780 1.00 0.00 H new ATOM 0 HG3 GLN A 112 11.121 -4.412 -11.495 1.00 0.00 H new ATOM 0 HE21 GLN A 112 12.834 -2.825 -11.390 1.00 0.00 H new ATOM 0 HE22 GLN A 112 13.734 -2.404 -12.851 1.00 0.00 H new ATOM 1734 N LYS A 113 13.001 -8.244 -8.952 1.00 0.00 N ATOM 1735 CA LYS A 113 13.836 -9.301 -8.392 1.00 0.00 C ATOM 1736 C LYS A 113 13.052 -10.609 -8.292 1.00 0.00 C ATOM 1737 O LYS A 113 13.600 -11.686 -8.529 1.00 0.00 O ATOM 1738 CB LYS A 113 14.359 -8.899 -7.010 1.00 0.00 C ATOM 1739 CG LYS A 113 15.699 -8.184 -7.049 1.00 0.00 C ATOM 1740 CD LYS A 113 16.858 -9.165 -6.959 1.00 0.00 C ATOM 1741 CE LYS A 113 17.700 -9.156 -8.227 1.00 0.00 C ATOM 1742 NZ LYS A 113 17.349 -10.279 -9.146 1.00 0.00 N ATOM 0 H LYS A 113 12.798 -7.481 -8.306 1.00 0.00 H new ATOM 0 HA LYS A 113 14.685 -9.451 -9.059 1.00 0.00 H new ATOM 0 HB2 LYS A 113 13.626 -8.252 -6.528 1.00 0.00 H new ATOM 0 HB3 LYS A 113 14.451 -9.792 -6.392 1.00 0.00 H new ATOM 0 HG2 LYS A 113 15.779 -7.609 -7.971 1.00 0.00 H new ATOM 0 HG3 LYS A 113 15.758 -7.474 -6.224 1.00 0.00 H new ATOM 0 HD2 LYS A 113 17.484 -8.911 -6.104 1.00 0.00 H new ATOM 0 HD3 LYS A 113 16.472 -10.170 -6.785 1.00 0.00 H new ATOM 0 HE2 LYS A 113 17.562 -8.208 -8.746 1.00 0.00 H new ATOM 0 HE3 LYS A 113 18.755 -9.223 -7.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 18.201 -10.592 -9.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 16.964 -11.072 -8.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 16.637 -9.957 -9.832 1.00 0.00 H new ATOM 1756 N ILE A 114 11.763 -10.507 -7.947 1.00 0.00 N ATOM 1757 CA ILE A 114 10.905 -11.685 -7.824 1.00 0.00 C ATOM 1758 C ILE A 114 10.833 -12.443 -9.146 1.00 0.00 C ATOM 1759 O ILE A 114 10.992 -13.665 -9.179 1.00 0.00 O ATOM 1760 CB ILE A 114 9.467 -11.315 -7.388 1.00 0.00 C ATOM 1761 CG1 ILE A 114 9.489 -10.434 -6.134 1.00 0.00 C ATOM 1762 CG2 ILE A 114 8.651 -12.576 -7.140 1.00 0.00 C ATOM 1763 CD1 ILE A 114 10.238 -11.049 -4.971 1.00 0.00 C ATOM 0 H ILE A 114 11.295 -9.623 -7.749 1.00 0.00 H new ATOM 0 HA ILE A 114 11.353 -12.315 -7.055 1.00 0.00 H new ATOM 0 HB ILE A 114 8.998 -10.748 -8.192 1.00 0.00 H new ATOM 0 HG12 ILE A 114 9.945 -9.476 -6.382 1.00 0.00 H new ATOM 0 HG13 ILE A 114 8.463 -10.229 -5.827 1.00 0.00 H new ATOM 0 HG21 ILE A 114 7.641 -12.302 -6.834 1.00 0.00 H new ATOM 0 HG22 ILE A 114 8.605 -13.166 -8.056 1.00 0.00 H new ATOM 0 HG23 ILE A 114 9.121 -13.165 -6.353 1.00 0.00 H new ATOM 0 HD11 ILE A 114 10.211 -10.368 -4.120 1.00 0.00 H new ATOM 0 HD12 ILE A 114 9.769 -11.994 -4.695 1.00 0.00 H new ATOM 0 HD13 ILE A 114 11.274 -11.228 -5.259 1.00 0.00 H new ATOM 1775 N GLU A 115 10.599 -11.706 -10.231 1.00 0.00 N ATOM 1776 CA GLU A 115 10.511 -12.300 -11.563 1.00 0.00 C ATOM 1777 C GLU A 115 11.876 -12.805 -12.034 1.00 0.00 C ATOM 1778 O GLU A 115 11.958 -13.785 -12.776 1.00 0.00 O ATOM 1779 CB GLU A 115 9.951 -11.284 -12.564 1.00 0.00 C ATOM 1780 CG GLU A 115 8.567 -10.761 -12.195 1.00 0.00 C ATOM 1781 CD GLU A 115 7.625 -10.669 -13.383 1.00 0.00 C ATOM 1782 OE1 GLU A 115 7.515 -11.659 -14.138 1.00 0.00 O ATOM 1783 OE2 GLU A 115 6.991 -9.604 -13.555 1.00 0.00 O ATOM 0 H GLU A 115 10.467 -10.695 -10.213 1.00 0.00 H new ATOM 0 HA GLU A 115 9.834 -13.153 -11.506 1.00 0.00 H new ATOM 0 HB2 GLU A 115 10.640 -10.443 -12.639 1.00 0.00 H new ATOM 0 HB3 GLU A 115 9.904 -11.746 -13.550 1.00 0.00 H new ATOM 0 HG2 GLU A 115 8.128 -11.415 -11.441 1.00 0.00 H new ATOM 0 HG3 GLU A 115 8.667 -9.775 -11.742 1.00 0.00 H new