USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 523 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 Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 20:sc= 0.372 USER MOD Single : A 13 GLN : amide:sc= -0.188 K(o=-0.19,f=-0.86) USER MOD Single : A 14 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.000703) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= -0.0036 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -63:sc= 0.429 USER MOD Single : A 21 THR OG1 : rot 180:sc= -1.3 USER MOD Single : A 26 HIS : no HD1:sc= -0.428 X(o=-0.43,f=-0.0024) USER MOD Single : A 27 HIS : no HD1:sc= -0.567 X(o=-0.57,f=-0.6) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot -121:sc= -0.349 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HD1:sc= -0.0654 X(o=-0.065,f=-0.054) USER MOD Single : A 71 SER OG : rot 61:sc= 0.1 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.775 K(o=-0.78,f=-3.2!) USER MOD Single : A 85 SER OG : rot 180:sc=-0.00271 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 35 N ASP A 3 -7.302 0.147 15.529 1.00 0.00 N ATOM 36 CA ASP A 3 -6.255 0.565 14.547 1.00 0.00 C ATOM 37 C ASP A 3 -6.769 0.388 13.114 1.00 0.00 C ATOM 38 O ASP A 3 -7.918 0.057 12.895 1.00 0.00 O ATOM 39 CB ASP A 3 -5.059 -0.358 14.815 1.00 0.00 C ATOM 40 CG ASP A 3 -5.476 -1.823 14.639 1.00 0.00 C ATOM 41 OD1 ASP A 3 -6.346 -2.263 15.372 1.00 0.00 O ATOM 42 OD2 ASP A 3 -4.916 -2.478 13.775 1.00 0.00 O ATOM 0 HA ASP A 3 -5.985 1.615 14.656 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -4.244 -0.119 14.131 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -4.684 -0.197 15.826 1.00 0.00 H new ATOM 47 N VAL A 4 -5.911 0.570 12.138 1.00 0.00 N ATOM 48 CA VAL A 4 -6.318 0.375 10.707 1.00 0.00 C ATOM 49 C VAL A 4 -7.567 1.207 10.380 1.00 0.00 C ATOM 50 O VAL A 4 -8.682 0.727 10.469 1.00 0.00 O ATOM 51 CB VAL A 4 -6.602 -1.129 10.567 1.00 0.00 C ATOM 52 CG1 VAL A 4 -7.121 -1.441 9.159 1.00 0.00 C ATOM 53 CG2 VAL A 4 -5.307 -1.909 10.803 1.00 0.00 C ATOM 0 H VAL A 4 -4.939 0.847 12.271 1.00 0.00 H new ATOM 0 HA VAL A 4 -5.543 0.702 10.014 1.00 0.00 H new ATOM 0 HB VAL A 4 -7.356 -1.418 11.300 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -7.318 -2.509 9.072 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -8.042 -0.886 8.979 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -6.372 -1.150 8.422 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -5.502 -2.977 10.705 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.561 -1.607 10.067 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.933 -1.699 11.805 1.00 0.00 H new ATOM 63 N LYS A 5 -7.377 2.416 9.917 1.00 0.00 N ATOM 64 CA LYS A 5 -8.538 3.246 9.480 1.00 0.00 C ATOM 65 C LYS A 5 -8.908 2.894 8.037 1.00 0.00 C ATOM 66 O LYS A 5 -8.094 2.381 7.290 1.00 0.00 O ATOM 67 CB LYS A 5 -8.053 4.694 9.577 1.00 0.00 C ATOM 68 CG LYS A 5 -9.172 5.573 10.142 1.00 0.00 C ATOM 69 CD LYS A 5 -8.982 7.013 9.661 1.00 0.00 C ATOM 70 CE LYS A 5 -10.184 7.858 10.090 1.00 0.00 C ATOM 71 NZ LYS A 5 -9.787 8.454 11.396 1.00 0.00 N ATOM 0 H LYS A 5 -6.466 2.864 9.823 1.00 0.00 H new ATOM 0 HA LYS A 5 -9.426 3.079 10.090 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.173 4.751 10.218 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.755 5.055 8.593 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -10.143 5.196 9.820 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.162 5.538 11.231 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.065 7.429 10.078 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.878 7.034 8.576 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.406 8.631 9.354 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.081 7.247 10.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.561 9.049 11.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.588 7.695 12.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.935 9.036 11.267 1.00 0.00 H new ATOM 85 N TYR A 6 -10.121 3.174 7.637 1.00 0.00 N ATOM 86 CA TYR A 6 -10.541 2.867 6.238 1.00 0.00 C ATOM 87 C TYR A 6 -10.158 4.015 5.300 1.00 0.00 C ATOM 88 O TYR A 6 -10.968 4.869 4.988 1.00 0.00 O ATOM 89 CB TYR A 6 -12.059 2.708 6.304 1.00 0.00 C ATOM 90 CG TYR A 6 -12.396 1.263 6.583 1.00 0.00 C ATOM 91 CD1 TYR A 6 -11.985 0.263 5.693 1.00 0.00 C ATOM 92 CD2 TYR A 6 -13.119 0.923 7.733 1.00 0.00 C ATOM 93 CE1 TYR A 6 -12.296 -1.076 5.953 1.00 0.00 C ATOM 94 CE2 TYR A 6 -13.431 -0.418 7.992 1.00 0.00 C ATOM 95 CZ TYR A 6 -13.019 -1.417 7.102 1.00 0.00 C ATOM 96 OH TYR A 6 -13.327 -2.737 7.359 1.00 0.00 O ATOM 0 H TYR A 6 -10.840 3.603 8.220 1.00 0.00 H new ATOM 0 HA TYR A 6 -10.055 1.971 5.851 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -12.470 3.347 7.086 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -12.511 3.024 5.364 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -11.428 0.525 4.806 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -13.436 1.694 8.420 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -11.978 -1.847 5.267 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -13.989 -0.681 8.878 1.00 0.00 H new ATOM 0 HH TYR A 6 -13.831 -2.798 8.197 1.00 0.00 H new ATOM 106 N TYR A 7 -8.951 3.997 4.794 1.00 0.00 N ATOM 107 CA TYR A 7 -8.531 5.038 3.807 1.00 0.00 C ATOM 108 C TYR A 7 -9.170 4.750 2.446 1.00 0.00 C ATOM 109 O TYR A 7 -9.154 3.630 1.972 1.00 0.00 O ATOM 110 CB TYR A 7 -7.009 4.913 3.713 1.00 0.00 C ATOM 111 CG TYR A 7 -6.374 5.398 4.994 1.00 0.00 C ATOM 112 CD1 TYR A 7 -6.260 4.537 6.093 1.00 0.00 C ATOM 113 CD2 TYR A 7 -5.893 6.709 5.081 1.00 0.00 C ATOM 114 CE1 TYR A 7 -5.664 4.987 7.276 1.00 0.00 C ATOM 115 CE2 TYR A 7 -5.298 7.159 6.265 1.00 0.00 C ATOM 116 CZ TYR A 7 -5.183 6.299 7.363 1.00 0.00 C ATOM 117 OH TYR A 7 -4.597 6.743 8.530 1.00 0.00 O ATOM 0 H TYR A 7 -8.237 3.305 5.022 1.00 0.00 H new ATOM 0 HA TYR A 7 -8.838 6.040 4.108 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -6.731 3.875 3.529 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -6.639 5.496 2.870 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -6.632 3.525 6.027 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.981 7.374 4.234 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -5.575 4.322 8.122 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -4.927 8.171 6.331 1.00 0.00 H new ATOM 0 HH TYR A 7 -4.317 7.676 8.421 1.00 0.00 H new ATOM 127 N THR A 8 -9.696 5.759 1.800 1.00 0.00 N ATOM 128 CA THR A 8 -10.300 5.553 0.447 1.00 0.00 C ATOM 129 C THR A 8 -9.253 5.803 -0.639 1.00 0.00 C ATOM 130 O THR A 8 -8.614 6.838 -0.666 1.00 0.00 O ATOM 131 CB THR A 8 -11.425 6.587 0.340 1.00 0.00 C ATOM 132 OG1 THR A 8 -10.871 7.894 0.419 1.00 0.00 O ATOM 133 CG2 THR A 8 -12.432 6.384 1.475 1.00 0.00 C ATOM 0 H THR A 8 -9.734 6.716 2.150 1.00 0.00 H new ATOM 0 HA THR A 8 -10.669 4.536 0.317 1.00 0.00 H new ATOM 0 HB THR A 8 -11.938 6.464 -0.614 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.914 7.857 0.209 1.00 0.00 H new ATOM 0 HG21 THR A 8 -13.228 7.123 1.391 1.00 0.00 H new ATOM 0 HG22 THR A 8 -12.858 5.383 1.409 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.928 6.501 2.434 1.00 0.00 H new ATOM 141 N LEU A 9 -9.121 4.893 -1.574 1.00 0.00 N ATOM 142 CA LEU A 9 -8.168 5.114 -2.708 1.00 0.00 C ATOM 143 C LEU A 9 -8.511 6.410 -3.451 1.00 0.00 C ATOM 144 O LEU A 9 -7.649 7.056 -4.017 1.00 0.00 O ATOM 145 CB LEU A 9 -8.327 3.904 -3.632 1.00 0.00 C ATOM 146 CG LEU A 9 -9.777 3.773 -4.108 1.00 0.00 C ATOM 147 CD1 LEU A 9 -9.975 4.575 -5.398 1.00 0.00 C ATOM 148 CD2 LEU A 9 -10.084 2.295 -4.371 1.00 0.00 C ATOM 0 H LEU A 9 -9.630 4.009 -1.601 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.141 5.213 -2.355 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.665 4.007 -4.492 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.028 2.997 -3.106 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.449 4.160 -3.342 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.008 4.478 -5.732 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.751 5.625 -5.211 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.307 4.193 -6.170 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -11.115 2.192 -4.710 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.410 1.914 -5.138 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.946 1.726 -3.452 1.00 0.00 H new ATOM 160 N GLU A 10 -9.749 6.830 -3.387 1.00 0.00 N ATOM 161 CA GLU A 10 -10.140 8.130 -4.018 1.00 0.00 C ATOM 162 C GLU A 10 -9.328 9.278 -3.409 1.00 0.00 C ATOM 163 O GLU A 10 -8.891 10.176 -4.104 1.00 0.00 O ATOM 164 CB GLU A 10 -11.629 8.302 -3.702 1.00 0.00 C ATOM 165 CG GLU A 10 -12.466 7.671 -4.816 1.00 0.00 C ATOM 166 CD GLU A 10 -12.844 8.742 -5.842 1.00 0.00 C ATOM 167 OE1 GLU A 10 -13.406 9.747 -5.440 1.00 0.00 O ATOM 168 OE2 GLU A 10 -12.564 8.538 -7.012 1.00 0.00 O ATOM 0 H GLU A 10 -10.508 6.329 -2.925 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.951 8.137 -5.091 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.865 7.834 -2.746 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.871 9.361 -3.607 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.904 6.872 -5.299 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.366 7.220 -4.398 1.00 0.00 H new ATOM 175 N GLU A 11 -9.093 9.232 -2.121 1.00 0.00 N ATOM 176 CA GLU A 11 -8.271 10.294 -1.466 1.00 0.00 C ATOM 177 C GLU A 11 -6.781 9.938 -1.531 1.00 0.00 C ATOM 178 O GLU A 11 -5.930 10.806 -1.529 1.00 0.00 O ATOM 179 CB GLU A 11 -8.751 10.324 -0.013 1.00 0.00 C ATOM 180 CG GLU A 11 -8.056 11.466 0.730 1.00 0.00 C ATOM 181 CD GLU A 11 -8.689 12.798 0.325 1.00 0.00 C ATOM 182 OE1 GLU A 11 -9.669 13.179 0.945 1.00 0.00 O ATOM 183 OE2 GLU A 11 -8.183 13.416 -0.598 1.00 0.00 O ATOM 0 H GLU A 11 -9.436 8.503 -1.495 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.384 11.261 -1.957 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.832 10.458 0.021 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.532 9.373 0.473 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.145 11.321 1.807 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.991 11.471 0.496 1.00 0.00 H new ATOM 190 N ILE A 12 -6.465 8.669 -1.612 1.00 0.00 N ATOM 191 CA ILE A 12 -5.029 8.253 -1.703 1.00 0.00 C ATOM 192 C ILE A 12 -4.528 8.347 -3.150 1.00 0.00 C ATOM 193 O ILE A 12 -3.338 8.412 -3.395 1.00 0.00 O ATOM 194 CB ILE A 12 -4.993 6.797 -1.225 1.00 0.00 C ATOM 195 CG1 ILE A 12 -5.583 6.695 0.188 1.00 0.00 C ATOM 196 CG2 ILE A 12 -3.545 6.302 -1.202 1.00 0.00 C ATOM 197 CD1 ILE A 12 -5.681 5.223 0.605 1.00 0.00 C ATOM 0 H ILE A 12 -7.138 7.903 -1.619 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.387 8.897 -1.102 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.582 6.184 -1.908 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.957 7.241 0.894 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.570 7.156 0.214 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.520 5.267 -0.862 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.123 6.365 -2.205 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.960 6.921 -0.523 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -6.100 5.156 1.609 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.325 4.689 -0.094 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.687 4.776 0.597 1.00 0.00 H new ATOM 209 N GLN A 13 -5.423 8.379 -4.110 1.00 0.00 N ATOM 210 CA GLN A 13 -4.995 8.497 -5.538 1.00 0.00 C ATOM 211 C GLN A 13 -4.874 9.971 -5.937 1.00 0.00 C ATOM 212 O GLN A 13 -5.352 10.382 -6.978 1.00 0.00 O ATOM 213 CB GLN A 13 -6.104 7.812 -6.342 1.00 0.00 C ATOM 214 CG GLN A 13 -5.938 6.286 -6.273 1.00 0.00 C ATOM 215 CD GLN A 13 -6.002 5.692 -7.682 1.00 0.00 C ATOM 216 OE1 GLN A 13 -5.512 6.280 -8.626 1.00 0.00 O ATOM 217 NE2 GLN A 13 -6.589 4.540 -7.865 1.00 0.00 N ATOM 0 H GLN A 13 -6.431 8.328 -3.964 1.00 0.00 H new ATOM 0 HA GLN A 13 -4.021 8.041 -5.715 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.079 8.098 -5.948 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.070 8.143 -7.380 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.985 6.036 -5.806 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.721 5.854 -5.651 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -7.000 4.046 -7.073 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.636 4.134 -8.800 1.00 0.00 H new ATOM 226 N LYS A 14 -4.198 10.757 -5.138 1.00 0.00 N ATOM 227 CA LYS A 14 -3.991 12.195 -5.484 1.00 0.00 C ATOM 228 C LYS A 14 -2.945 12.814 -4.551 1.00 0.00 C ATOM 229 O LYS A 14 -3.007 13.984 -4.225 1.00 0.00 O ATOM 230 CB LYS A 14 -5.355 12.854 -5.275 1.00 0.00 C ATOM 231 CG LYS A 14 -5.300 14.305 -5.757 1.00 0.00 C ATOM 232 CD LYS A 14 -6.655 14.698 -6.350 1.00 0.00 C ATOM 233 CE LYS A 14 -6.443 15.695 -7.491 1.00 0.00 C ATOM 234 NZ LYS A 14 -6.143 14.855 -8.684 1.00 0.00 N ATOM 0 H LYS A 14 -3.779 10.462 -4.256 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.628 12.328 -6.503 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.123 12.307 -5.822 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.629 12.820 -4.221 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.049 14.966 -4.927 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.516 14.421 -6.505 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.173 13.813 -6.718 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.287 15.140 -5.579 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.331 16.306 -7.652 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.622 16.377 -7.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.618 15.419 -9.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.568 14.037 -8.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.033 14.521 -9.106 1.00 0.00 H new ATOM 248 N HIS A 15 -1.971 12.039 -4.144 1.00 0.00 N ATOM 249 CA HIS A 15 -0.896 12.577 -3.258 1.00 0.00 C ATOM 250 C HIS A 15 0.372 12.851 -4.071 1.00 0.00 C ATOM 251 O HIS A 15 0.364 12.791 -5.286 1.00 0.00 O ATOM 252 CB HIS A 15 -0.644 11.475 -2.229 1.00 0.00 C ATOM 253 CG HIS A 15 -1.545 11.680 -1.042 1.00 0.00 C ATOM 254 ND1 HIS A 15 -1.052 12.019 0.209 1.00 0.00 N ATOM 255 CD2 HIS A 15 -2.907 11.593 -0.897 1.00 0.00 C ATOM 256 CE1 HIS A 15 -2.103 12.125 1.043 1.00 0.00 C ATOM 257 NE2 HIS A 15 -3.258 11.876 0.420 1.00 0.00 N ATOM 0 H HIS A 15 -1.875 11.053 -4.389 1.00 0.00 H new ATOM 0 HA HIS A 15 -1.181 13.518 -2.787 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -0.829 10.498 -2.675 1.00 0.00 H new ATOM 0 HB3 HIS A 15 0.399 11.489 -1.914 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.601 11.343 -1.685 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -2.022 12.380 2.089 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -4.195 11.890 0.822 1.00 0.00 H new ATOM 266 N LYS A 16 1.468 13.109 -3.404 1.00 0.00 N ATOM 267 CA LYS A 16 2.755 13.337 -4.127 1.00 0.00 C ATOM 268 C LYS A 16 3.521 12.020 -4.271 1.00 0.00 C ATOM 269 O LYS A 16 3.258 11.060 -3.572 1.00 0.00 O ATOM 270 CB LYS A 16 3.534 14.317 -3.248 1.00 0.00 C ATOM 271 CG LYS A 16 3.286 15.746 -3.733 1.00 0.00 C ATOM 272 CD LYS A 16 4.332 16.682 -3.122 1.00 0.00 C ATOM 273 CE LYS A 16 4.260 18.047 -3.810 1.00 0.00 C ATOM 274 NZ LYS A 16 5.302 17.996 -4.873 1.00 0.00 N ATOM 0 H LYS A 16 1.527 13.172 -2.388 1.00 0.00 H new ATOM 0 HA LYS A 16 2.600 13.726 -5.134 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.223 14.216 -2.208 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.599 14.088 -3.286 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.338 15.786 -4.821 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.284 16.069 -3.450 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.156 16.793 -2.052 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.329 16.256 -3.239 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.272 18.224 -4.234 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.454 18.855 -3.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.314 18.898 -5.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.233 17.833 -4.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.087 17.221 -5.533 1.00 0.00 H new ATOM 288 N ASP A 17 4.492 11.982 -5.149 1.00 0.00 N ATOM 289 CA ASP A 17 5.311 10.744 -5.316 1.00 0.00 C ATOM 290 C ASP A 17 6.739 10.978 -4.814 1.00 0.00 C ATOM 291 O ASP A 17 7.404 10.063 -4.366 1.00 0.00 O ATOM 292 CB ASP A 17 5.310 10.470 -6.820 1.00 0.00 C ATOM 293 CG ASP A 17 6.027 9.148 -7.099 1.00 0.00 C ATOM 294 OD1 ASP A 17 7.206 9.062 -6.800 1.00 0.00 O ATOM 295 OD2 ASP A 17 5.384 8.244 -7.607 1.00 0.00 O ATOM 0 H ASP A 17 4.753 12.757 -5.758 1.00 0.00 H new ATOM 0 HA ASP A 17 4.910 9.905 -4.747 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.286 10.426 -7.192 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.806 11.284 -7.349 1.00 0.00 H new ATOM 300 N SER A 18 7.202 12.202 -4.858 1.00 0.00 N ATOM 301 CA SER A 18 8.577 12.510 -4.353 1.00 0.00 C ATOM 302 C SER A 18 8.688 12.156 -2.867 1.00 0.00 C ATOM 303 O SER A 18 9.749 11.805 -2.384 1.00 0.00 O ATOM 304 CB SER A 18 8.756 14.014 -4.559 1.00 0.00 C ATOM 305 OG SER A 18 7.994 14.716 -3.585 1.00 0.00 O ATOM 0 H SER A 18 6.687 13.003 -5.222 1.00 0.00 H new ATOM 0 HA SER A 18 9.342 11.936 -4.876 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.809 14.281 -4.475 1.00 0.00 H new ATOM 0 HB3 SER A 18 8.434 14.296 -5.562 1.00 0.00 H new ATOM 0 HG SER A 18 8.108 15.681 -3.713 1.00 0.00 H new ATOM 311 N LYS A 19 7.595 12.213 -2.149 1.00 0.00 N ATOM 312 CA LYS A 19 7.621 11.844 -0.703 1.00 0.00 C ATOM 313 C LYS A 19 6.290 11.211 -0.291 1.00 0.00 C ATOM 314 O LYS A 19 5.300 11.314 -0.990 1.00 0.00 O ATOM 315 CB LYS A 19 7.839 13.164 0.039 1.00 0.00 C ATOM 316 CG LYS A 19 8.294 12.877 1.470 1.00 0.00 C ATOM 317 CD LYS A 19 8.990 14.113 2.042 1.00 0.00 C ATOM 318 CE LYS A 19 9.840 13.709 3.249 1.00 0.00 C ATOM 319 NZ LYS A 19 10.893 14.759 3.347 1.00 0.00 N ATOM 0 H LYS A 19 6.683 12.500 -2.504 1.00 0.00 H new ATOM 0 HA LYS A 19 8.400 11.115 -0.479 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.587 13.765 -0.478 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.916 13.744 0.049 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.437 12.610 2.089 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.974 12.025 1.483 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.618 14.575 1.280 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.249 14.856 2.338 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.240 13.666 4.158 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.279 12.721 3.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.517 14.551 4.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.453 14.772 2.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.446 15.687 3.486 1.00 0.00 H new ATOM 333 N SER A 20 6.249 10.588 0.864 1.00 0.00 N ATOM 334 CA SER A 20 4.973 9.978 1.367 1.00 0.00 C ATOM 335 C SER A 20 4.365 9.041 0.314 1.00 0.00 C ATOM 336 O SER A 20 3.315 9.312 -0.238 1.00 0.00 O ATOM 337 CB SER A 20 4.039 11.159 1.643 1.00 0.00 C ATOM 338 OG SER A 20 2.872 10.690 2.306 1.00 0.00 O ATOM 0 H SER A 20 7.050 10.475 1.485 1.00 0.00 H new ATOM 0 HA SER A 20 5.139 9.375 2.260 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.546 11.903 2.258 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.768 11.649 0.708 1.00 0.00 H new ATOM 0 HG SER A 20 2.387 10.074 1.718 1.00 0.00 H new ATOM 344 N THR A 21 5.004 7.927 0.061 1.00 0.00 N ATOM 345 CA THR A 21 4.452 6.947 -0.924 1.00 0.00 C ATOM 346 C THR A 21 3.298 6.156 -0.298 1.00 0.00 C ATOM 347 O THR A 21 3.494 5.364 0.605 1.00 0.00 O ATOM 348 CB THR A 21 5.624 6.021 -1.277 1.00 0.00 C ATOM 349 OG1 THR A 21 5.183 5.044 -2.208 1.00 0.00 O ATOM 350 CG2 THR A 21 6.153 5.323 -0.018 1.00 0.00 C ATOM 0 H THR A 21 5.886 7.653 0.495 1.00 0.00 H new ATOM 0 HA THR A 21 4.050 7.438 -1.810 1.00 0.00 H new ATOM 0 HB THR A 21 6.427 6.616 -1.712 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.929 4.451 -2.438 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.984 4.670 -0.286 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.496 6.072 0.696 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.356 4.730 0.432 1.00 0.00 H new ATOM 358 N TRP A 22 2.103 6.339 -0.798 1.00 0.00 N ATOM 359 CA TRP A 22 0.936 5.572 -0.269 1.00 0.00 C ATOM 360 C TRP A 22 0.630 4.380 -1.183 1.00 0.00 C ATOM 361 O TRP A 22 -0.418 4.310 -1.799 1.00 0.00 O ATOM 362 CB TRP A 22 -0.226 6.567 -0.270 1.00 0.00 C ATOM 363 CG TRP A 22 -0.152 7.429 0.952 1.00 0.00 C ATOM 364 CD1 TRP A 22 0.964 8.044 1.408 1.00 0.00 C ATOM 365 CD2 TRP A 22 -1.220 7.783 1.877 1.00 0.00 C ATOM 366 NE1 TRP A 22 0.649 8.751 2.554 1.00 0.00 N ATOM 367 CE2 TRP A 22 -0.686 8.623 2.883 1.00 0.00 C ATOM 368 CE3 TRP A 22 -2.587 7.461 1.940 1.00 0.00 C ATOM 369 CZ2 TRP A 22 -1.480 9.124 3.915 1.00 0.00 C ATOM 370 CZ3 TRP A 22 -3.389 7.963 2.977 1.00 0.00 C ATOM 371 CH2 TRP A 22 -2.837 8.794 3.963 1.00 0.00 C ATOM 0 H TRP A 22 1.885 6.989 -1.553 1.00 0.00 H new ATOM 0 HA TRP A 22 1.122 5.168 0.726 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -0.187 7.186 -1.166 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -1.176 6.032 -0.293 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.941 7.991 0.951 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.321 9.300 3.091 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -3.023 6.823 1.185 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -1.049 9.763 4.672 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -4.438 7.708 3.016 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -3.459 9.178 4.758 1.00 0.00 H new ATOM 382 N VAL A 23 1.524 3.426 -1.244 1.00 0.00 N ATOM 383 CA VAL A 23 1.278 2.213 -2.080 1.00 0.00 C ATOM 384 C VAL A 23 0.401 1.219 -1.312 1.00 0.00 C ATOM 385 O VAL A 23 0.429 1.165 -0.097 1.00 0.00 O ATOM 386 CB VAL A 23 2.669 1.622 -2.346 1.00 0.00 C ATOM 387 CG1 VAL A 23 2.539 0.348 -3.185 1.00 0.00 C ATOM 388 CG2 VAL A 23 3.521 2.643 -3.107 1.00 0.00 C ATOM 0 H VAL A 23 2.416 3.435 -0.749 1.00 0.00 H new ATOM 0 HA VAL A 23 0.756 2.445 -3.009 1.00 0.00 H new ATOM 0 HB VAL A 23 3.144 1.383 -1.395 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.529 -0.068 -3.371 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.934 -0.382 -2.647 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.061 0.585 -4.135 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.509 2.224 -3.296 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.041 2.883 -4.056 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.620 3.550 -2.511 1.00 0.00 H new ATOM 398 N ILE A 24 -0.347 0.409 -2.016 1.00 0.00 N ATOM 399 CA ILE A 24 -1.197 -0.616 -1.339 1.00 0.00 C ATOM 400 C ILE A 24 -0.848 -2.011 -1.866 1.00 0.00 C ATOM 401 O ILE A 24 -0.681 -2.209 -3.054 1.00 0.00 O ATOM 402 CB ILE A 24 -2.641 -0.246 -1.700 1.00 0.00 C ATOM 403 CG1 ILE A 24 -2.942 1.180 -1.222 1.00 0.00 C ATOM 404 CG2 ILE A 24 -3.609 -1.221 -1.020 1.00 0.00 C ATOM 405 CD1 ILE A 24 -2.690 2.166 -2.365 1.00 0.00 C ATOM 0 H ILE A 24 -0.406 0.413 -3.034 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.046 -0.633 -0.260 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.765 -0.303 -2.781 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.977 1.252 -0.887 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.313 1.429 -0.368 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.634 -0.956 -1.278 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.401 -2.236 -1.358 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.481 -1.166 0.061 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -2.904 3.179 -2.025 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -1.648 2.101 -2.679 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.338 1.921 -3.206 1.00 0.00 H new ATOM 417 N LEU A 25 -0.771 -2.983 -0.992 1.00 0.00 N ATOM 418 CA LEU A 25 -0.474 -4.377 -1.440 1.00 0.00 C ATOM 419 C LEU A 25 -1.757 -5.057 -1.934 1.00 0.00 C ATOM 420 O LEU A 25 -1.997 -5.153 -3.122 1.00 0.00 O ATOM 421 CB LEU A 25 0.074 -5.087 -0.193 1.00 0.00 C ATOM 422 CG LEU A 25 1.610 -5.126 -0.227 1.00 0.00 C ATOM 423 CD1 LEU A 25 2.086 -5.900 -1.460 1.00 0.00 C ATOM 424 CD2 LEU A 25 2.168 -3.698 -0.273 1.00 0.00 C ATOM 0 H LEU A 25 -0.901 -2.871 0.013 1.00 0.00 H new ATOM 0 HA LEU A 25 0.236 -4.406 -2.266 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.263 -4.569 0.705 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.320 -6.102 -0.142 1.00 0.00 H new ATOM 0 HG LEU A 25 1.970 -5.625 0.673 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.176 -5.923 -1.477 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.702 -6.919 -1.420 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.720 -5.409 -2.362 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.257 -3.734 -0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.802 -3.193 -1.167 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.842 -3.151 0.612 1.00 0.00 H new ATOM 436 N HIS A 26 -2.608 -5.469 -1.028 1.00 0.00 N ATOM 437 CA HIS A 26 -3.911 -6.073 -1.435 1.00 0.00 C ATOM 438 C HIS A 26 -5.062 -5.306 -0.782 1.00 0.00 C ATOM 439 O HIS A 26 -5.956 -4.821 -1.451 1.00 0.00 O ATOM 440 CB HIS A 26 -3.861 -7.512 -0.918 1.00 0.00 C ATOM 441 CG HIS A 26 -2.966 -8.333 -1.804 1.00 0.00 C ATOM 442 ND1 HIS A 26 -3.450 -9.365 -2.592 1.00 0.00 N ATOM 443 CD2 HIS A 26 -1.614 -8.286 -2.038 1.00 0.00 C ATOM 444 CE1 HIS A 26 -2.407 -9.893 -3.257 1.00 0.00 C ATOM 445 NE2 HIS A 26 -1.263 -9.272 -2.956 1.00 0.00 N ATOM 0 H HIS A 26 -2.455 -5.412 -0.021 1.00 0.00 H new ATOM 0 HA HIS A 26 -4.070 -6.037 -2.513 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -3.490 -7.529 0.107 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -4.864 -7.939 -0.901 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -0.927 -7.590 -1.580 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -2.485 -10.718 -3.950 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -0.333 -9.476 -3.320 1.00 0.00 H new ATOM 453 N HIS A 27 -5.002 -5.131 0.513 1.00 0.00 N ATOM 454 CA HIS A 27 -6.037 -4.319 1.216 1.00 0.00 C ATOM 455 C HIS A 27 -5.393 -3.494 2.337 1.00 0.00 C ATOM 456 O HIS A 27 -6.052 -3.086 3.274 1.00 0.00 O ATOM 457 CB HIS A 27 -7.014 -5.342 1.797 1.00 0.00 C ATOM 458 CG HIS A 27 -8.282 -4.647 2.210 1.00 0.00 C ATOM 459 ND1 HIS A 27 -9.027 -5.057 3.306 1.00 0.00 N ATOM 460 CD2 HIS A 27 -8.951 -3.570 1.685 1.00 0.00 C ATOM 461 CE1 HIS A 27 -10.090 -4.237 3.403 1.00 0.00 C ATOM 462 NE2 HIS A 27 -10.092 -3.313 2.440 1.00 0.00 N ATOM 0 H HIS A 27 -4.276 -5.518 1.116 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.533 -3.614 0.549 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.233 -6.112 1.057 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.565 -5.843 2.655 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.640 -3.007 0.818 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -10.849 -4.317 4.167 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -10.782 -2.577 2.290 1.00 0.00 H new ATOM 470 N LYS A 28 -4.115 -3.217 2.226 1.00 0.00 N ATOM 471 CA LYS A 28 -3.431 -2.385 3.260 1.00 0.00 C ATOM 472 C LYS A 28 -2.767 -1.170 2.606 1.00 0.00 C ATOM 473 O LYS A 28 -2.139 -1.279 1.569 1.00 0.00 O ATOM 474 CB LYS A 28 -2.377 -3.306 3.875 1.00 0.00 C ATOM 475 CG LYS A 28 -2.968 -4.013 5.096 1.00 0.00 C ATOM 476 CD LYS A 28 -1.863 -4.265 6.126 1.00 0.00 C ATOM 477 CE LYS A 28 -1.205 -5.618 5.851 1.00 0.00 C ATOM 478 NZ LYS A 28 -0.419 -5.919 7.079 1.00 0.00 N ATOM 0 H LYS A 28 -3.518 -3.533 1.462 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.125 -2.003 4.009 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.047 -4.041 3.140 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.499 -2.729 4.165 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.757 -3.403 5.536 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.424 -4.957 4.797 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.118 -3.470 6.077 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.280 -4.250 7.133 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.952 -6.389 5.661 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.562 -5.573 4.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.063 -6.834 6.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.288 -5.172 7.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.058 -5.962 7.898 1.00 0.00 H new ATOM 492 N VAL A 29 -2.873 -0.022 3.226 1.00 0.00 N ATOM 493 CA VAL A 29 -2.220 1.201 2.672 1.00 0.00 C ATOM 494 C VAL A 29 -0.841 1.385 3.309 1.00 0.00 C ATOM 495 O VAL A 29 -0.709 1.404 4.518 1.00 0.00 O ATOM 496 CB VAL A 29 -3.156 2.355 3.050 1.00 0.00 C ATOM 497 CG1 VAL A 29 -2.594 3.673 2.513 1.00 0.00 C ATOM 498 CG2 VAL A 29 -4.542 2.112 2.444 1.00 0.00 C ATOM 0 H VAL A 29 -3.386 0.120 4.096 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.067 1.145 1.594 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.236 2.410 4.136 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.262 4.491 2.784 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.609 3.851 2.944 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.510 3.617 1.428 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -5.206 2.933 2.714 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.459 2.054 1.359 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.948 1.176 2.828 1.00 0.00 H new ATOM 508 N TYR A 30 0.186 1.496 2.506 1.00 0.00 N ATOM 509 CA TYR A 30 1.563 1.649 3.064 1.00 0.00 C ATOM 510 C TYR A 30 2.085 3.074 2.865 1.00 0.00 C ATOM 511 O TYR A 30 2.202 3.547 1.750 1.00 0.00 O ATOM 512 CB TYR A 30 2.425 0.672 2.267 1.00 0.00 C ATOM 513 CG TYR A 30 2.133 -0.741 2.697 1.00 0.00 C ATOM 514 CD1 TYR A 30 0.911 -1.334 2.366 1.00 0.00 C ATOM 515 CD2 TYR A 30 3.090 -1.461 3.420 1.00 0.00 C ATOM 516 CE1 TYR A 30 0.644 -2.650 2.760 1.00 0.00 C ATOM 517 CE2 TYR A 30 2.824 -2.775 3.816 1.00 0.00 C ATOM 518 CZ TYR A 30 1.601 -3.371 3.486 1.00 0.00 C ATOM 519 OH TYR A 30 1.337 -4.668 3.876 1.00 0.00 O ATOM 0 H TYR A 30 0.130 1.487 1.488 1.00 0.00 H new ATOM 0 HA TYR A 30 1.580 1.452 4.136 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.227 0.785 1.201 1.00 0.00 H new ATOM 0 HB3 TYR A 30 3.480 0.897 2.420 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.174 -0.777 1.807 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.034 -1.002 3.672 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -0.299 -3.110 2.505 1.00 0.00 H new ATOM 0 HE2 TYR A 30 3.562 -3.330 4.376 1.00 0.00 H new ATOM 0 HH TYR A 30 1.391 -4.733 4.852 1.00 0.00 H new ATOM 529 N ASP A 31 2.572 3.678 3.918 1.00 0.00 N ATOM 530 CA ASP A 31 3.294 4.976 3.774 1.00 0.00 C ATOM 531 C ASP A 31 4.792 4.725 3.958 1.00 0.00 C ATOM 532 O ASP A 31 5.334 4.911 5.031 1.00 0.00 O ATOM 533 CB ASP A 31 2.749 5.868 4.891 1.00 0.00 C ATOM 534 CG ASP A 31 3.421 7.242 4.824 1.00 0.00 C ATOM 535 OD1 ASP A 31 3.688 7.695 3.723 1.00 0.00 O ATOM 536 OD2 ASP A 31 3.656 7.816 5.874 1.00 0.00 O ATOM 0 H ASP A 31 2.500 3.327 4.873 1.00 0.00 H new ATOM 0 HA ASP A 31 3.151 5.440 2.798 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.669 5.975 4.791 1.00 0.00 H new ATOM 0 HB3 ASP A 31 2.935 5.408 5.861 1.00 0.00 H new ATOM 541 N LEU A 32 5.437 4.207 2.944 1.00 0.00 N ATOM 542 CA LEU A 32 6.879 3.823 3.079 1.00 0.00 C ATOM 543 C LEU A 32 7.784 5.016 2.753 1.00 0.00 C ATOM 544 O LEU A 32 8.744 4.890 2.016 1.00 0.00 O ATOM 545 CB LEU A 32 7.112 2.687 2.063 1.00 0.00 C ATOM 546 CG LEU A 32 5.993 1.625 2.155 1.00 0.00 C ATOM 547 CD1 LEU A 32 5.222 1.574 0.832 1.00 0.00 C ATOM 548 CD2 LEU A 32 6.597 0.244 2.436 1.00 0.00 C ATOM 0 H LEU A 32 5.028 4.032 2.026 1.00 0.00 H new ATOM 0 HA LEU A 32 7.112 3.508 4.096 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.147 3.098 1.054 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.079 2.219 2.250 1.00 0.00 H new ATOM 0 HG LEU A 32 5.318 1.896 2.967 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.433 0.824 0.899 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.779 2.550 0.631 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.904 1.312 0.023 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.799 -0.496 2.499 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.279 -0.025 1.630 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.142 0.270 3.379 1.00 0.00 H new ATOM 560 N THR A 33 7.522 6.156 3.344 1.00 0.00 N ATOM 561 CA THR A 33 8.411 7.339 3.121 1.00 0.00 C ATOM 562 C THR A 33 9.769 7.118 3.798 1.00 0.00 C ATOM 563 O THR A 33 10.777 7.640 3.361 1.00 0.00 O ATOM 564 CB THR A 33 7.674 8.528 3.750 1.00 0.00 C ATOM 565 OG1 THR A 33 8.462 9.700 3.600 1.00 0.00 O ATOM 566 CG2 THR A 33 7.422 8.272 5.241 1.00 0.00 C ATOM 0 H THR A 33 6.733 6.319 3.970 1.00 0.00 H new ATOM 0 HA THR A 33 8.611 7.508 2.063 1.00 0.00 H new ATOM 0 HB THR A 33 6.715 8.657 3.248 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.994 10.462 4.000 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.898 9.125 5.673 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.814 7.375 5.358 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.375 8.134 5.753 1.00 0.00 H new ATOM 574 N LYS A 34 9.811 6.298 4.820 1.00 0.00 N ATOM 575 CA LYS A 34 11.114 5.982 5.479 1.00 0.00 C ATOM 576 C LYS A 34 11.915 5.008 4.611 1.00 0.00 C ATOM 577 O LYS A 34 13.129 5.057 4.568 1.00 0.00 O ATOM 578 CB LYS A 34 10.742 5.333 6.813 1.00 0.00 C ATOM 579 CG LYS A 34 11.947 5.373 7.754 1.00 0.00 C ATOM 580 CD LYS A 34 11.463 5.515 9.199 1.00 0.00 C ATOM 581 CE LYS A 34 12.493 6.308 10.008 1.00 0.00 C ATOM 582 NZ LYS A 34 11.972 6.302 11.403 1.00 0.00 N ATOM 0 H LYS A 34 8.998 5.834 5.225 1.00 0.00 H new ATOM 0 HA LYS A 34 11.732 6.868 5.621 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.899 5.858 7.262 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.427 4.302 6.652 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.537 4.463 7.645 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.597 6.208 7.494 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.498 6.022 9.222 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.316 4.530 9.643 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.479 5.847 9.953 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.595 7.325 9.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.624 6.827 12.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.035 6.753 11.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.892 5.321 11.739 1.00 0.00 H new ATOM 596 N PHE A 35 11.235 4.169 3.871 1.00 0.00 N ATOM 597 CA PHE A 35 11.942 3.238 2.941 1.00 0.00 C ATOM 598 C PHE A 35 12.442 4.010 1.716 1.00 0.00 C ATOM 599 O PHE A 35 13.557 3.821 1.266 1.00 0.00 O ATOM 600 CB PHE A 35 10.887 2.196 2.543 1.00 0.00 C ATOM 601 CG PHE A 35 11.465 1.231 1.533 1.00 0.00 C ATOM 602 CD1 PHE A 35 12.453 0.317 1.917 1.00 0.00 C ATOM 603 CD2 PHE A 35 11.014 1.256 0.208 1.00 0.00 C ATOM 604 CE1 PHE A 35 12.990 -0.571 0.976 1.00 0.00 C ATOM 605 CE2 PHE A 35 11.550 0.368 -0.733 1.00 0.00 C ATOM 606 CZ PHE A 35 12.537 -0.545 -0.349 1.00 0.00 C ATOM 0 H PHE A 35 10.218 4.089 3.871 1.00 0.00 H new ATOM 0 HA PHE A 35 12.814 2.769 3.397 1.00 0.00 H new ATOM 0 HB2 PHE A 35 10.551 1.652 3.426 1.00 0.00 H new ATOM 0 HB3 PHE A 35 10.013 2.694 2.123 1.00 0.00 H new ATOM 0 HD1 PHE A 35 12.801 0.296 2.939 1.00 0.00 H new ATOM 0 HD2 PHE A 35 10.252 1.961 -0.089 1.00 0.00 H new ATOM 0 HE1 PHE A 35 13.753 -1.275 1.272 1.00 0.00 H new ATOM 0 HE2 PHE A 35 11.201 0.388 -1.755 1.00 0.00 H new ATOM 0 HZ PHE A 35 12.950 -1.230 -1.074 1.00 0.00 H new ATOM 616 N LEU A 36 11.634 4.898 1.194 1.00 0.00 N ATOM 617 CA LEU A 36 12.069 5.714 0.019 1.00 0.00 C ATOM 618 C LEU A 36 13.303 6.546 0.383 1.00 0.00 C ATOM 619 O LEU A 36 14.197 6.731 -0.422 1.00 0.00 O ATOM 620 CB LEU A 36 10.881 6.629 -0.303 1.00 0.00 C ATOM 621 CG LEU A 36 10.645 6.661 -1.815 1.00 0.00 C ATOM 622 CD1 LEU A 36 9.401 7.500 -2.118 1.00 0.00 C ATOM 623 CD2 LEU A 36 11.859 7.282 -2.514 1.00 0.00 C ATOM 0 H LEU A 36 10.691 5.093 1.531 1.00 0.00 H new ATOM 0 HA LEU A 36 12.342 5.092 -0.833 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.986 6.271 0.206 1.00 0.00 H new ATOM 0 HB3 LEU A 36 11.076 7.636 0.065 1.00 0.00 H new ATOM 0 HG LEU A 36 10.499 5.644 -2.179 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.232 7.524 -3.194 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.535 7.059 -1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.549 8.516 -1.751 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.688 7.303 -3.590 1.00 0.00 H new ATOM 0 HD22 LEU A 36 12.008 8.299 -2.150 1.00 0.00 H new ATOM 0 HD23 LEU A 36 12.746 6.686 -2.300 1.00 0.00 H new ATOM 635 N GLU A 37 13.373 7.013 1.604 1.00 0.00 N ATOM 636 CA GLU A 37 14.566 7.794 2.047 1.00 0.00 C ATOM 637 C GLU A 37 15.558 6.883 2.779 1.00 0.00 C ATOM 638 O GLU A 37 16.360 7.340 3.572 1.00 0.00 O ATOM 639 CB GLU A 37 14.013 8.856 2.997 1.00 0.00 C ATOM 640 CG GLU A 37 13.713 10.135 2.214 1.00 0.00 C ATOM 641 CD GLU A 37 12.429 9.950 1.405 1.00 0.00 C ATOM 642 OE1 GLU A 37 11.366 9.984 2.001 1.00 0.00 O ATOM 643 OE2 GLU A 37 12.530 9.776 0.201 1.00 0.00 O ATOM 0 H GLU A 37 12.652 6.886 2.315 1.00 0.00 H new ATOM 0 HA GLU A 37 15.103 8.236 1.208 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.106 8.491 3.479 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.734 9.062 3.788 1.00 0.00 H new ATOM 0 HG2 GLU A 37 13.606 10.976 2.899 1.00 0.00 H new ATOM 0 HG3 GLU A 37 14.544 10.370 1.549 1.00 0.00 H new ATOM 650 N GLU A 38 15.543 5.608 2.478 1.00 0.00 N ATOM 651 CA GLU A 38 16.522 4.673 3.108 1.00 0.00 C ATOM 652 C GLU A 38 17.614 4.303 2.101 1.00 0.00 C ATOM 653 O GLU A 38 18.754 4.079 2.461 1.00 0.00 O ATOM 654 CB GLU A 38 15.704 3.440 3.491 1.00 0.00 C ATOM 655 CG GLU A 38 16.601 2.436 4.218 1.00 0.00 C ATOM 656 CD GLU A 38 15.761 1.245 4.682 1.00 0.00 C ATOM 657 OE1 GLU A 38 14.629 1.461 5.081 1.00 0.00 O ATOM 658 OE2 GLU A 38 16.265 0.135 4.631 1.00 0.00 O ATOM 0 H GLU A 38 14.893 5.175 1.822 1.00 0.00 H new ATOM 0 HA GLU A 38 17.020 5.113 3.972 1.00 0.00 H new ATOM 0 HB2 GLU A 38 14.870 3.728 4.131 1.00 0.00 H new ATOM 0 HB3 GLU A 38 15.277 2.982 2.599 1.00 0.00 H new ATOM 0 HG2 GLU A 38 17.397 2.097 3.555 1.00 0.00 H new ATOM 0 HG3 GLU A 38 17.080 2.913 5.074 1.00 0.00 H new ATOM 665 N HIS A 39 17.278 4.285 0.836 1.00 0.00 N ATOM 666 CA HIS A 39 18.298 3.986 -0.212 1.00 0.00 C ATOM 667 C HIS A 39 18.273 5.076 -1.295 1.00 0.00 C ATOM 668 O HIS A 39 17.605 4.926 -2.298 1.00 0.00 O ATOM 669 CB HIS A 39 17.881 2.637 -0.801 1.00 0.00 C ATOM 670 CG HIS A 39 17.939 1.580 0.268 1.00 0.00 C ATOM 671 ND1 HIS A 39 16.811 0.898 0.696 1.00 0.00 N ATOM 672 CD2 HIS A 39 18.983 1.076 1.004 1.00 0.00 C ATOM 673 CE1 HIS A 39 17.197 0.031 1.648 1.00 0.00 C ATOM 674 NE2 HIS A 39 18.512 0.098 1.876 1.00 0.00 N ATOM 0 H HIS A 39 16.338 4.465 0.484 1.00 0.00 H new ATOM 0 HA HIS A 39 19.310 3.957 0.192 1.00 0.00 H new ATOM 0 HB2 HIS A 39 16.872 2.703 -1.207 1.00 0.00 H new ATOM 0 HB3 HIS A 39 18.540 2.370 -1.627 1.00 0.00 H new ATOM 0 HD2 HIS A 39 20.013 1.390 0.919 1.00 0.00 H new ATOM 0 HE1 HIS A 39 16.526 -0.638 2.166 1.00 0.00 H new ATOM 0 HE2 HIS A 39 19.054 -0.449 2.545 1.00 0.00 H new ATOM 682 N PRO A 40 19.004 6.151 -1.064 1.00 0.00 N ATOM 683 CA PRO A 40 19.049 7.270 -2.050 1.00 0.00 C ATOM 684 C PRO A 40 19.400 6.751 -3.453 1.00 0.00 C ATOM 685 O PRO A 40 20.556 6.593 -3.793 1.00 0.00 O ATOM 686 CB PRO A 40 20.159 8.174 -1.520 1.00 0.00 C ATOM 687 CG PRO A 40 20.229 7.881 -0.057 1.00 0.00 C ATOM 688 CD PRO A 40 19.843 6.436 0.114 1.00 0.00 C ATOM 0 HA PRO A 40 18.092 7.782 -2.148 1.00 0.00 H new ATOM 0 HB2 PRO A 40 21.109 7.962 -2.011 1.00 0.00 H new ATOM 0 HB3 PRO A 40 19.933 9.225 -1.702 1.00 0.00 H new ATOM 0 HG2 PRO A 40 21.233 8.061 0.326 1.00 0.00 H new ATOM 0 HG3 PRO A 40 19.554 8.530 0.500 1.00 0.00 H new ATOM 0 HD2 PRO A 40 20.720 5.789 0.146 1.00 0.00 H new ATOM 0 HD3 PRO A 40 19.295 6.276 1.043 1.00 0.00 H new ATOM 696 N GLY A 41 18.405 6.512 -4.267 1.00 0.00 N ATOM 697 CA GLY A 41 18.665 6.031 -5.655 1.00 0.00 C ATOM 698 C GLY A 41 18.168 4.591 -5.795 1.00 0.00 C ATOM 699 O GLY A 41 18.692 3.818 -6.575 1.00 0.00 O ATOM 0 H GLY A 41 17.420 6.630 -4.029 1.00 0.00 H new ATOM 0 HA2 GLY A 41 18.159 6.674 -6.375 1.00 0.00 H new ATOM 0 HA3 GLY A 41 19.731 6.083 -5.876 1.00 0.00 H new ATOM 703 N GLY A 42 17.137 4.238 -5.069 1.00 0.00 N ATOM 704 CA GLY A 42 16.571 2.861 -5.179 1.00 0.00 C ATOM 705 C GLY A 42 16.042 2.637 -6.597 1.00 0.00 C ATOM 706 O GLY A 42 16.142 1.555 -7.137 1.00 0.00 O ATOM 0 H GLY A 42 16.662 4.847 -4.403 1.00 0.00 H new ATOM 0 HA2 GLY A 42 17.337 2.122 -4.945 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.767 2.728 -4.455 1.00 0.00 H new ATOM 710 N GLU A 43 15.523 3.674 -7.219 1.00 0.00 N ATOM 711 CA GLU A 43 15.018 3.574 -8.635 1.00 0.00 C ATOM 712 C GLU A 43 13.778 2.674 -8.710 1.00 0.00 C ATOM 713 O GLU A 43 12.698 3.127 -9.040 1.00 0.00 O ATOM 714 CB GLU A 43 16.166 2.985 -9.472 1.00 0.00 C ATOM 715 CG GLU A 43 16.071 3.507 -10.907 1.00 0.00 C ATOM 716 CD GLU A 43 17.454 3.455 -11.561 1.00 0.00 C ATOM 717 OE1 GLU A 43 18.403 3.891 -10.931 1.00 0.00 O ATOM 718 OE2 GLU A 43 17.539 2.979 -12.682 1.00 0.00 O ATOM 0 H GLU A 43 15.426 4.599 -6.801 1.00 0.00 H new ATOM 0 HA GLU A 43 14.722 4.553 -9.011 1.00 0.00 H new ATOM 0 HB2 GLU A 43 17.126 3.261 -9.036 1.00 0.00 H new ATOM 0 HB3 GLU A 43 16.114 1.896 -9.466 1.00 0.00 H new ATOM 0 HG2 GLU A 43 15.364 2.905 -11.478 1.00 0.00 H new ATOM 0 HG3 GLU A 43 15.694 4.530 -10.909 1.00 0.00 H new ATOM 725 N GLU A 44 13.916 1.415 -8.380 1.00 0.00 N ATOM 726 CA GLU A 44 12.737 0.495 -8.401 1.00 0.00 C ATOM 727 C GLU A 44 12.084 0.423 -7.016 1.00 0.00 C ATOM 728 O GLU A 44 11.598 -0.616 -6.605 1.00 0.00 O ATOM 729 CB GLU A 44 13.295 -0.874 -8.813 1.00 0.00 C ATOM 730 CG GLU A 44 14.357 -1.340 -7.810 1.00 0.00 C ATOM 731 CD GLU A 44 14.538 -2.854 -7.926 1.00 0.00 C ATOM 732 OE1 GLU A 44 14.504 -3.352 -9.039 1.00 0.00 O ATOM 733 OE2 GLU A 44 14.708 -3.491 -6.900 1.00 0.00 O ATOM 0 H GLU A 44 14.795 0.983 -8.096 1.00 0.00 H new ATOM 0 HA GLU A 44 11.966 0.839 -9.090 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.487 -1.604 -8.862 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.730 -0.812 -9.811 1.00 0.00 H new ATOM 0 HG2 GLU A 44 15.303 -0.834 -8.004 1.00 0.00 H new ATOM 0 HG3 GLU A 44 14.056 -1.076 -6.796 1.00 0.00 H new ATOM 740 N VAL A 45 12.016 1.530 -6.322 1.00 0.00 N ATOM 741 CA VAL A 45 11.343 1.559 -5.002 1.00 0.00 C ATOM 742 C VAL A 45 9.821 1.478 -5.200 1.00 0.00 C ATOM 743 O VAL A 45 9.329 1.565 -6.309 1.00 0.00 O ATOM 744 CB VAL A 45 11.768 2.910 -4.418 1.00 0.00 C ATOM 745 CG1 VAL A 45 11.081 3.139 -3.092 1.00 0.00 C ATOM 746 CG2 VAL A 45 13.284 2.920 -4.205 1.00 0.00 C ATOM 0 H VAL A 45 12.405 2.423 -6.623 1.00 0.00 H new ATOM 0 HA VAL A 45 11.608 0.729 -4.347 1.00 0.00 H new ATOM 0 HB VAL A 45 11.486 3.701 -5.113 1.00 0.00 H new ATOM 0 HG11 VAL A 45 11.389 4.102 -2.684 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.001 3.135 -3.236 1.00 0.00 H new ATOM 0 HG13 VAL A 45 11.357 2.346 -2.397 1.00 0.00 H new ATOM 0 HG21 VAL A 45 13.587 3.881 -3.789 1.00 0.00 H new ATOM 0 HG22 VAL A 45 13.560 2.123 -3.514 1.00 0.00 H new ATOM 0 HG23 VAL A 45 13.787 2.763 -5.159 1.00 0.00 H new ATOM 756 N LEU A 46 9.076 1.307 -4.136 1.00 0.00 N ATOM 757 CA LEU A 46 7.581 1.214 -4.255 1.00 0.00 C ATOM 758 C LEU A 46 7.015 2.402 -5.044 1.00 0.00 C ATOM 759 O LEU A 46 5.978 2.300 -5.672 1.00 0.00 O ATOM 760 CB LEU A 46 7.063 1.241 -2.814 1.00 0.00 C ATOM 761 CG LEU A 46 7.650 0.059 -2.027 1.00 0.00 C ATOM 762 CD1 LEU A 46 8.109 0.538 -0.647 1.00 0.00 C ATOM 763 CD2 LEU A 46 6.583 -1.027 -1.856 1.00 0.00 C ATOM 0 H LEU A 46 9.437 1.227 -3.185 1.00 0.00 H new ATOM 0 HA LEU A 46 7.277 0.313 -4.789 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.339 2.181 -2.336 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.974 1.189 -2.808 1.00 0.00 H new ATOM 0 HG LEU A 46 8.500 -0.349 -2.574 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.525 -0.302 -0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.871 1.309 -0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.258 0.948 -0.103 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.002 -1.864 -1.298 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.731 -0.618 -1.312 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.255 -1.373 -2.836 1.00 0.00 H new ATOM 1078 N GLU A 69 10.959 -7.163 7.727 1.00 0.00 N ATOM 1079 CA GLU A 69 10.318 -6.187 8.670 1.00 0.00 C ATOM 1080 C GLU A 69 10.004 -4.861 7.961 1.00 0.00 C ATOM 1081 O GLU A 69 9.851 -3.833 8.595 1.00 0.00 O ATOM 1082 CB GLU A 69 11.343 -5.966 9.786 1.00 0.00 C ATOM 1083 CG GLU A 69 11.145 -7.020 10.877 1.00 0.00 C ATOM 1084 CD GLU A 69 12.182 -6.812 11.983 1.00 0.00 C ATOM 1085 OE1 GLU A 69 12.239 -5.716 12.516 1.00 0.00 O ATOM 1086 OE2 GLU A 69 12.902 -7.753 12.277 1.00 0.00 O ATOM 0 HA GLU A 69 9.371 -6.566 9.053 1.00 0.00 H new ATOM 0 HB2 GLU A 69 12.354 -6.029 9.383 1.00 0.00 H new ATOM 0 HB3 GLU A 69 11.229 -4.967 10.206 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.139 -6.947 11.289 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.245 -8.020 10.454 1.00 0.00 H new ATOM 1093 N LEU A 70 9.861 -4.889 6.658 1.00 0.00 N ATOM 1094 CA LEU A 70 9.504 -3.644 5.912 1.00 0.00 C ATOM 1095 C LEU A 70 7.981 -3.520 5.793 1.00 0.00 C ATOM 1096 O LEU A 70 7.379 -2.617 6.343 1.00 0.00 O ATOM 1097 CB LEU A 70 10.142 -3.812 4.531 1.00 0.00 C ATOM 1098 CG LEU A 70 10.784 -2.493 4.096 1.00 0.00 C ATOM 1099 CD1 LEU A 70 12.224 -2.432 4.608 1.00 0.00 C ATOM 1100 CD2 LEU A 70 10.783 -2.406 2.568 1.00 0.00 C ATOM 0 H LEU A 70 9.976 -5.721 6.080 1.00 0.00 H new ATOM 0 HA LEU A 70 9.857 -2.743 6.414 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.893 -4.601 4.560 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.388 -4.117 3.806 1.00 0.00 H new ATOM 0 HG LEU A 70 10.216 -1.659 4.509 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.681 -1.492 4.298 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.226 -2.495 5.696 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.793 -3.265 4.195 1.00 0.00 H new ATOM 0 HD21 LEU A 70 11.240 -1.467 2.257 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.351 -3.240 2.156 1.00 0.00 H new ATOM 0 HD23 LEU A 70 9.757 -2.449 2.202 1.00 0.00 H new ATOM 1112 N SER A 71 7.355 -4.444 5.108 1.00 0.00 N ATOM 1113 CA SER A 71 5.865 -4.411 4.983 1.00 0.00 C ATOM 1114 C SER A 71 5.214 -4.776 6.321 1.00 0.00 C ATOM 1115 O SER A 71 4.553 -5.791 6.446 1.00 0.00 O ATOM 1116 CB SER A 71 5.529 -5.454 3.916 1.00 0.00 C ATOM 1117 OG SER A 71 6.184 -6.677 4.231 1.00 0.00 O ATOM 0 H SER A 71 7.812 -5.220 4.629 1.00 0.00 H new ATOM 0 HA SER A 71 5.496 -3.422 4.711 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.451 -5.607 3.868 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.845 -5.101 2.934 1.00 0.00 H new ATOM 0 HG SER A 71 5.866 -7.004 5.098 1.00 0.00 H new ATOM 1123 N LYS A 72 5.365 -3.932 7.310 1.00 0.00 N ATOM 1124 CA LYS A 72 4.723 -4.192 8.633 1.00 0.00 C ATOM 1125 C LYS A 72 4.808 -2.942 9.513 1.00 0.00 C ATOM 1126 O LYS A 72 3.854 -2.569 10.169 1.00 0.00 O ATOM 1127 CB LYS A 72 5.529 -5.337 9.249 1.00 0.00 C ATOM 1128 CG LYS A 72 4.714 -5.994 10.363 1.00 0.00 C ATOM 1129 CD LYS A 72 3.648 -6.903 9.749 1.00 0.00 C ATOM 1130 CE LYS A 72 2.782 -7.500 10.860 1.00 0.00 C ATOM 1131 NZ LYS A 72 3.404 -8.819 11.165 1.00 0.00 N ATOM 0 H LYS A 72 5.908 -3.070 7.257 1.00 0.00 H new ATOM 0 HA LYS A 72 3.667 -4.445 8.538 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.778 -6.073 8.484 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.471 -4.960 9.647 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.369 -6.573 11.014 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.243 -5.230 10.982 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.027 -6.336 9.055 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.121 -7.700 9.175 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.769 -6.857 11.740 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.748 -7.617 10.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.865 -9.291 11.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.396 -9.412 10.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.385 -8.676 11.478 1.00 0.00 H new ATOM 1145 N THR A 73 5.929 -2.268 9.490 1.00 0.00 N ATOM 1146 CA THR A 73 6.069 -1.007 10.279 1.00 0.00 C ATOM 1147 C THR A 73 5.866 0.219 9.377 1.00 0.00 C ATOM 1148 O THR A 73 5.514 1.286 9.845 1.00 0.00 O ATOM 1149 CB THR A 73 7.497 -1.037 10.842 1.00 0.00 C ATOM 1150 OG1 THR A 73 7.724 0.140 11.605 1.00 0.00 O ATOM 1151 CG2 THR A 73 8.520 -1.109 9.701 1.00 0.00 C ATOM 0 H THR A 73 6.756 -2.537 8.957 1.00 0.00 H new ATOM 0 HA THR A 73 5.324 -0.938 11.071 1.00 0.00 H new ATOM 0 HB THR A 73 7.611 -1.918 11.473 1.00 0.00 H new ATOM 0 HG1 THR A 73 8.634 0.124 11.968 1.00 0.00 H new ATOM 0 HG21 THR A 73 9.528 -1.130 10.116 1.00 0.00 H new ATOM 0 HG22 THR A 73 8.350 -2.013 9.116 1.00 0.00 H new ATOM 0 HG23 THR A 73 8.410 -0.235 9.058 1.00 0.00 H new ATOM 1159 N TYR A 74 6.050 0.066 8.088 1.00 0.00 N ATOM 1160 CA TYR A 74 5.828 1.212 7.153 1.00 0.00 C ATOM 1161 C TYR A 74 4.380 1.213 6.656 1.00 0.00 C ATOM 1162 O TYR A 74 4.124 1.357 5.474 1.00 0.00 O ATOM 1163 CB TYR A 74 6.790 0.972 5.982 1.00 0.00 C ATOM 1164 CG TYR A 74 8.216 0.903 6.480 1.00 0.00 C ATOM 1165 CD1 TYR A 74 8.730 1.918 7.294 1.00 0.00 C ATOM 1166 CD2 TYR A 74 9.026 -0.182 6.121 1.00 0.00 C ATOM 1167 CE1 TYR A 74 10.051 1.849 7.751 1.00 0.00 C ATOM 1168 CE2 TYR A 74 10.347 -0.252 6.578 1.00 0.00 C ATOM 1169 CZ TYR A 74 10.860 0.764 7.392 1.00 0.00 C ATOM 1170 OH TYR A 74 12.162 0.696 7.843 1.00 0.00 O ATOM 0 H TYR A 74 6.344 -0.804 7.643 1.00 0.00 H new ATOM 0 HA TYR A 74 6.006 2.173 7.635 1.00 0.00 H new ATOM 0 HB2 TYR A 74 6.530 0.044 5.473 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.691 1.775 5.251 1.00 0.00 H new ATOM 0 HD1 TYR A 74 8.107 2.756 7.570 1.00 0.00 H new ATOM 0 HD2 TYR A 74 8.631 -0.965 5.491 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.446 2.633 8.380 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.970 -1.090 6.302 1.00 0.00 H new ATOM 0 HH TYR A 74 12.584 -0.121 7.503 1.00 0.00 H new ATOM 1180 N ILE A 75 3.430 1.074 7.548 1.00 0.00 N ATOM 1181 CA ILE A 75 1.995 1.087 7.126 1.00 0.00 C ATOM 1182 C ILE A 75 1.231 2.178 7.881 1.00 0.00 C ATOM 1183 O ILE A 75 1.699 2.701 8.876 1.00 0.00 O ATOM 1184 CB ILE A 75 1.450 -0.300 7.487 1.00 0.00 C ATOM 1185 CG1 ILE A 75 2.289 -1.383 6.799 1.00 0.00 C ATOM 1186 CG2 ILE A 75 0.002 -0.413 7.011 1.00 0.00 C ATOM 1187 CD1 ILE A 75 1.847 -2.762 7.293 1.00 0.00 C ATOM 0 H ILE A 75 3.586 0.952 8.549 1.00 0.00 H new ATOM 0 HA ILE A 75 1.885 1.298 6.062 1.00 0.00 H new ATOM 0 HB ILE A 75 1.498 -0.435 8.568 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.171 -1.317 5.717 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.347 -1.230 7.014 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.389 -1.398 7.266 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.602 0.354 7.497 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.038 -0.275 5.930 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.443 -3.532 6.804 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.988 -2.824 8.372 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.794 -2.913 7.056 1.00 0.00 H new ATOM 1199 N ILE A 76 0.052 2.514 7.421 1.00 0.00 N ATOM 1200 CA ILE A 76 -0.760 3.564 8.113 1.00 0.00 C ATOM 1201 C ILE A 76 -2.173 3.051 8.421 1.00 0.00 C ATOM 1202 O ILE A 76 -2.740 3.367 9.451 1.00 0.00 O ATOM 1203 CB ILE A 76 -0.810 4.745 7.136 1.00 0.00 C ATOM 1204 CG1 ILE A 76 -1.422 4.295 5.799 1.00 0.00 C ATOM 1205 CG2 ILE A 76 0.612 5.260 6.905 1.00 0.00 C ATOM 1206 CD1 ILE A 76 -1.509 5.483 4.835 1.00 0.00 C ATOM 0 H ILE A 76 -0.385 2.106 6.594 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.322 3.847 9.070 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.427 5.539 7.555 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.815 3.504 5.360 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.415 3.879 5.966 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.586 6.100 6.211 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.040 5.585 7.853 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.224 4.462 6.486 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.944 5.154 3.891 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.135 6.261 5.272 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.510 5.880 4.656 1.00 0.00 H new ATOM 1218 N GLY A 77 -2.738 2.250 7.551 1.00 0.00 N ATOM 1219 CA GLY A 77 -4.103 1.702 7.808 1.00 0.00 C ATOM 1220 C GLY A 77 -4.494 0.747 6.680 1.00 0.00 C ATOM 1221 O GLY A 77 -3.648 0.191 6.006 1.00 0.00 O ATOM 0 H GLY A 77 -2.311 1.953 6.674 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.121 1.178 8.764 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.825 2.515 7.876 1.00 0.00 H new ATOM 1225 N GLU A 78 -5.773 0.583 6.448 1.00 0.00 N ATOM 1226 CA GLU A 78 -6.227 -0.302 5.334 1.00 0.00 C ATOM 1227 C GLU A 78 -6.859 0.531 4.216 1.00 0.00 C ATOM 1228 O GLU A 78 -6.799 1.746 4.227 1.00 0.00 O ATOM 1229 CB GLU A 78 -7.271 -1.225 5.957 1.00 0.00 C ATOM 1230 CG GLU A 78 -6.614 -2.549 6.358 1.00 0.00 C ATOM 1231 CD GLU A 78 -7.691 -3.541 6.798 1.00 0.00 C ATOM 1232 OE1 GLU A 78 -8.651 -3.109 7.415 1.00 0.00 O ATOM 1233 OE2 GLU A 78 -7.539 -4.717 6.510 1.00 0.00 O ATOM 0 H GLU A 78 -6.521 1.024 6.983 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.400 -0.857 4.892 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -7.716 -0.749 6.831 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.078 -1.408 5.248 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -6.051 -2.956 5.519 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.904 -2.384 7.168 1.00 0.00 H new ATOM 1240 N LEU A 79 -7.514 -0.115 3.284 1.00 0.00 N ATOM 1241 CA LEU A 79 -8.213 0.633 2.196 1.00 0.00 C ATOM 1242 C LEU A 79 -9.732 0.509 2.365 1.00 0.00 C ATOM 1243 O LEU A 79 -10.223 -0.415 2.983 1.00 0.00 O ATOM 1244 CB LEU A 79 -7.751 -0.036 0.895 1.00 0.00 C ATOM 1245 CG LEU A 79 -8.446 0.619 -0.308 1.00 0.00 C ATOM 1246 CD1 LEU A 79 -8.053 2.101 -0.403 1.00 0.00 C ATOM 1247 CD2 LEU A 79 -8.030 -0.109 -1.590 1.00 0.00 C ATOM 0 H LEU A 79 -7.595 -1.130 3.230 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.981 1.698 2.206 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.669 0.054 0.794 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -7.981 -1.101 0.923 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.526 0.549 -0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.551 2.555 -1.259 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.355 2.617 0.508 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.973 2.184 -0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.521 0.353 -2.446 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.949 -0.042 -1.712 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -8.323 -1.157 -1.525 1.00 0.00 H new ATOM 1259 N HIS A 80 -10.474 1.410 1.773 1.00 0.00 N ATOM 1260 CA HIS A 80 -11.962 1.329 1.841 1.00 0.00 C ATOM 1261 C HIS A 80 -12.492 0.411 0.722 1.00 0.00 C ATOM 1262 O HIS A 80 -12.373 0.743 -0.440 1.00 0.00 O ATOM 1263 CB HIS A 80 -12.443 2.764 1.623 1.00 0.00 C ATOM 1264 CG HIS A 80 -13.760 2.963 2.322 1.00 0.00 C ATOM 1265 ND1 HIS A 80 -14.781 2.028 2.257 1.00 0.00 N ATOM 1266 CD2 HIS A 80 -14.238 3.985 3.104 1.00 0.00 C ATOM 1267 CE1 HIS A 80 -15.811 2.501 2.980 1.00 0.00 C ATOM 1268 NE2 HIS A 80 -15.534 3.691 3.518 1.00 0.00 N ATOM 0 H HIS A 80 -10.110 2.202 1.243 1.00 0.00 H new ATOM 0 HA HIS A 80 -12.313 0.918 2.787 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -11.705 3.468 2.007 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -12.551 2.965 0.557 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -13.692 4.881 3.359 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -16.749 1.981 3.110 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -16.141 4.262 4.106 1.00 0.00 H new ATOM 1276 N PRO A 81 -13.063 -0.720 1.096 1.00 0.00 N ATOM 1277 CA PRO A 81 -13.604 -1.669 0.080 1.00 0.00 C ATOM 1278 C PRO A 81 -14.576 -0.967 -0.881 1.00 0.00 C ATOM 1279 O PRO A 81 -14.807 -1.427 -1.983 1.00 0.00 O ATOM 1280 CB PRO A 81 -14.344 -2.710 0.918 1.00 0.00 C ATOM 1281 CG PRO A 81 -13.696 -2.652 2.261 1.00 0.00 C ATOM 1282 CD PRO A 81 -13.259 -1.229 2.466 1.00 0.00 C ATOM 0 HA PRO A 81 -12.821 -2.096 -0.547 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -15.408 -2.482 0.982 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -14.257 -3.704 0.480 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -14.393 -2.959 3.041 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -12.844 -3.330 2.310 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -14.012 -0.653 3.003 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.340 -1.173 3.049 1.00 0.00 H new ATOM 1290 N ASP A 82 -15.153 0.136 -0.468 1.00 0.00 N ATOM 1291 CA ASP A 82 -16.122 0.866 -1.350 1.00 0.00 C ATOM 1292 C ASP A 82 -15.503 1.177 -2.719 1.00 0.00 C ATOM 1293 O ASP A 82 -16.061 0.844 -3.749 1.00 0.00 O ATOM 1294 CB ASP A 82 -16.441 2.165 -0.605 1.00 0.00 C ATOM 1295 CG ASP A 82 -17.520 2.937 -1.364 1.00 0.00 C ATOM 1296 OD1 ASP A 82 -18.584 2.378 -1.576 1.00 0.00 O ATOM 1297 OD2 ASP A 82 -17.264 4.076 -1.723 1.00 0.00 O ATOM 0 H ASP A 82 -14.995 0.564 0.444 1.00 0.00 H new ATOM 0 HA ASP A 82 -17.013 0.268 -1.543 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -16.782 1.942 0.406 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -15.541 2.773 -0.512 1.00 0.00 H new ATOM 1302 N ASP A 83 -14.363 1.823 -2.739 1.00 0.00 N ATOM 1303 CA ASP A 83 -13.714 2.166 -4.041 1.00 0.00 C ATOM 1304 C ASP A 83 -12.884 0.990 -4.577 1.00 0.00 C ATOM 1305 O ASP A 83 -12.510 0.972 -5.734 1.00 0.00 O ATOM 1306 CB ASP A 83 -12.811 3.358 -3.721 1.00 0.00 C ATOM 1307 CG ASP A 83 -13.671 4.571 -3.364 1.00 0.00 C ATOM 1308 OD1 ASP A 83 -14.351 5.069 -4.246 1.00 0.00 O ATOM 1309 OD2 ASP A 83 -13.634 4.981 -2.216 1.00 0.00 O ATOM 0 H ASP A 83 -13.854 2.127 -1.909 1.00 0.00 H new ATOM 0 HA ASP A 83 -14.449 2.394 -4.813 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.148 3.113 -2.891 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -12.178 3.588 -4.578 1.00 0.00 H new ATOM 1314 N ARG A 84 -12.594 0.006 -3.754 1.00 0.00 N ATOM 1315 CA ARG A 84 -11.785 -1.167 -4.226 1.00 0.00 C ATOM 1316 C ARG A 84 -12.373 -1.759 -5.522 1.00 0.00 C ATOM 1317 O ARG A 84 -11.927 -1.439 -6.608 1.00 0.00 O ATOM 1318 CB ARG A 84 -11.848 -2.188 -3.083 1.00 0.00 C ATOM 1319 CG ARG A 84 -10.548 -2.146 -2.275 1.00 0.00 C ATOM 1320 CD ARG A 84 -9.403 -2.724 -3.111 1.00 0.00 C ATOM 1321 NE ARG A 84 -9.805 -4.137 -3.396 1.00 0.00 N ATOM 1322 CZ ARG A 84 -9.781 -5.061 -2.456 1.00 0.00 C ATOM 1323 NH1 ARG A 84 -9.362 -4.796 -1.240 1.00 0.00 N ATOM 1324 NH2 ARG A 84 -10.182 -6.269 -2.742 1.00 0.00 N ATOM 0 H ARG A 84 -12.883 -0.035 -2.777 1.00 0.00 H new ATOM 0 HA ARG A 84 -10.759 -0.881 -4.459 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -12.697 -1.969 -2.435 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -12.004 -3.189 -3.486 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -10.320 -1.120 -1.988 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -10.663 -2.717 -1.353 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.264 -2.160 -4.033 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.459 -2.684 -2.568 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.104 -4.391 -4.338 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.044 -3.856 -1.004 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -9.354 -5.530 -0.532 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -10.509 -6.489 -3.683 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -10.169 -6.994 -2.025 1.00 0.00 H new ATOM 1338 N SER A 85 -13.382 -2.594 -5.421 1.00 0.00 N ATOM 1339 CA SER A 85 -14.006 -3.169 -6.651 1.00 0.00 C ATOM 1340 C SER A 85 -15.167 -2.278 -7.131 1.00 0.00 C ATOM 1341 O SER A 85 -14.969 -1.384 -7.933 1.00 0.00 O ATOM 1342 CB SER A 85 -14.495 -4.560 -6.237 1.00 0.00 C ATOM 1343 OG SER A 85 -15.277 -5.114 -7.286 1.00 0.00 O ATOM 0 H SER A 85 -13.797 -2.900 -4.541 1.00 0.00 H new ATOM 0 HA SER A 85 -13.307 -3.228 -7.485 1.00 0.00 H new ATOM 0 HB2 SER A 85 -13.645 -5.207 -6.020 1.00 0.00 H new ATOM 0 HB3 SER A 85 -15.086 -4.493 -5.323 1.00 0.00 H new ATOM 0 HG SER A 85 -15.590 -6.005 -7.025 1.00 0.00 H new ATOM 1349 N LYS A 86 -16.365 -2.485 -6.625 1.00 0.00 N ATOM 1350 CA LYS A 86 -17.523 -1.620 -7.025 1.00 0.00 C ATOM 1351 C LYS A 86 -18.765 -2.007 -6.211 1.00 0.00 C ATOM 1352 O LYS A 86 -19.713 -2.566 -6.732 1.00 0.00 O ATOM 1353 CB LYS A 86 -17.748 -1.899 -8.521 1.00 0.00 C ATOM 1354 CG LYS A 86 -17.300 -0.689 -9.347 1.00 0.00 C ATOM 1355 CD LYS A 86 -18.515 0.169 -9.705 1.00 0.00 C ATOM 1356 CE LYS A 86 -18.095 1.638 -9.797 1.00 0.00 C ATOM 1357 NZ LYS A 86 -19.339 2.373 -10.158 1.00 0.00 N ATOM 0 H LYS A 86 -16.589 -3.217 -5.951 1.00 0.00 H new ATOM 0 HA LYS A 86 -17.331 -0.563 -6.842 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -17.189 -2.785 -8.823 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -18.801 -2.108 -8.707 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -16.579 -0.098 -8.782 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -16.798 -1.022 -10.255 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -18.938 -0.159 -10.654 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -19.293 0.049 -8.951 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -17.688 1.992 -8.850 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -17.320 1.780 -10.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -19.131 3.389 -10.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -19.700 2.019 -11.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -20.056 2.225 -9.420 1.00 0.00 H new ATOM 1371 N ILE A 87 -18.772 -1.697 -4.940 1.00 0.00 N ATOM 1372 CA ILE A 87 -19.954 -2.023 -4.088 1.00 0.00 C ATOM 1373 C ILE A 87 -20.939 -0.850 -4.084 1.00 0.00 C ATOM 1374 O ILE A 87 -21.417 -0.431 -3.047 1.00 0.00 O ATOM 1375 CB ILE A 87 -19.383 -2.261 -2.685 1.00 0.00 C ATOM 1376 CG1 ILE A 87 -18.359 -3.401 -2.734 1.00 0.00 C ATOM 1377 CG2 ILE A 87 -20.513 -2.643 -1.727 1.00 0.00 C ATOM 1378 CD1 ILE A 87 -16.957 -2.825 -2.948 1.00 0.00 C ATOM 0 H ILE A 87 -18.006 -1.230 -4.454 1.00 0.00 H new ATOM 0 HA ILE A 87 -20.501 -2.893 -4.452 1.00 0.00 H new ATOM 0 HB ILE A 87 -18.900 -1.348 -2.336 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -18.391 -3.972 -1.806 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -18.606 -4.091 -3.541 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -20.104 -2.812 -0.731 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -21.245 -1.836 -1.687 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -20.997 -3.554 -2.080 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -16.231 -3.637 -2.982 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -16.930 -2.274 -3.888 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -16.710 -2.153 -2.126 1.00 0.00 H new