USER MOD reduce.3.24.130724 H: found=0, std=0, add=943, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 944 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 100 THR OG1 : rot 53:sc= 1.79 USER MOD Set 1.2: A 118 TYR OH : rot 151:sc= 1.61! USER MOD Set 2.1: A 20 ASN : amide:sc= -1.51 K(o=-3,f=-6.8!) USER MOD Set 2.2: A 24 ASN :FLIP amide:sc= -1.45 F(o=-5.8!,f=-3) USER MOD Set 3.1: A 12 GLN : amide:sc= -0.0312 X(o=-0.031,f=0) USER MOD Set 3.2: A 56 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.337) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 157:sc= -0.041 (180deg=-0.379) USER MOD Single : A 28 TYR OH : rot 130:sc= -3.89! USER MOD Single : A 29 GLN : amide:sc= -0.357 X(o=-0.36,f=-0.049) USER MOD Single : A 30 THR OG1 : rot -170:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -2.79! C(o=-2.8!,f=-5!) USER MOD Single : A 35 ASN : amide:sc= -1.8! C(o=-1.8!,f=-3.4!) USER MOD Single : A 38 GLN :FLIP amide:sc= -0.959 F(o=-2!,f=-0.96) USER MOD Single : A 44 THR OG1 : rot 70:sc= 0.105 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 160:sc= -3.99! (180deg=-4.18!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -163:sc= -4.71! (180deg=-6.34!) USER MOD Single : A 70 LYS NZ :NH3+ -173:sc= -1.02 (180deg=-1.1) USER MOD Single : A 75 ASN : amide:sc= -0.429 K(o=-0.43,f=-6.7!) USER MOD Single : A 81 MET CE :methyl 140:sc= -0.87 (180deg=-2.1) USER MOD Single : A 82 THR OG1 : rot -61:sc= 0.604 USER MOD Single : A 91 GLN :FLIP amide:sc= 0 F(o=-0.96,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 HIS : no HE2:sc= -36.2! C(o=-36!,f=-40!) USER MOD Single : A 104 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0133) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 51 N GLU A 4 2.902 -11.336 -0.054 1.00 0.00 N ATOM 52 CA GLU A 4 2.479 -10.369 -1.106 1.00 0.00 C ATOM 53 C GLU A 4 3.371 -9.127 -1.045 1.00 0.00 C ATOM 54 O GLU A 4 3.425 -8.438 -0.047 1.00 0.00 O ATOM 55 CB GLU A 4 1.023 -9.963 -0.868 1.00 0.00 C ATOM 56 CG GLU A 4 0.150 -10.504 -2.002 1.00 0.00 C ATOM 57 CD GLU A 4 0.467 -11.983 -2.229 1.00 0.00 C ATOM 58 OE1 GLU A 4 0.625 -12.692 -1.249 1.00 0.00 O ATOM 59 OE2 GLU A 4 0.547 -12.381 -3.380 1.00 0.00 O ATOM 0 HA GLU A 4 2.571 -10.835 -2.087 1.00 0.00 H new ATOM 0 HB2 GLU A 4 0.677 -10.353 0.089 1.00 0.00 H new ATOM 0 HB3 GLU A 4 0.941 -8.877 -0.818 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.904 -10.381 -1.754 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.331 -9.938 -2.916 1.00 0.00 H new ATOM 66 N LYS A 5 4.073 -8.837 -2.107 1.00 0.00 N ATOM 67 CA LYS A 5 4.960 -7.640 -2.108 1.00 0.00 C ATOM 68 C LYS A 5 4.434 -6.617 -3.117 1.00 0.00 C ATOM 69 O LYS A 5 4.118 -6.949 -4.243 1.00 0.00 O ATOM 70 CB LYS A 5 6.380 -8.056 -2.496 1.00 0.00 C ATOM 71 CG LYS A 5 6.335 -8.907 -3.767 1.00 0.00 C ATOM 72 CD LYS A 5 6.133 -10.376 -3.391 1.00 0.00 C ATOM 73 CE LYS A 5 5.377 -11.091 -4.513 1.00 0.00 C ATOM 74 NZ LYS A 5 5.262 -12.541 -4.189 1.00 0.00 N ATOM 0 H LYS A 5 4.070 -9.377 -2.972 1.00 0.00 H new ATOM 0 HA LYS A 5 4.972 -7.196 -1.113 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.997 -7.172 -2.659 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.839 -8.620 -1.684 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.524 -8.571 -4.414 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.261 -8.789 -4.330 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.098 -10.856 -3.225 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.575 -10.450 -2.458 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.385 -10.655 -4.633 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.900 -10.959 -5.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.748 -13.027 -4.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.213 -12.952 -4.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.745 -12.657 -3.294 1.00 0.00 H new ATOM 88 N ILE A 6 4.337 -5.376 -2.725 1.00 0.00 N ATOM 89 CA ILE A 6 3.831 -4.335 -3.663 1.00 0.00 C ATOM 90 C ILE A 6 4.554 -3.014 -3.398 1.00 0.00 C ATOM 91 O ILE A 6 5.188 -2.836 -2.377 1.00 0.00 O ATOM 92 CB ILE A 6 2.328 -4.146 -3.450 1.00 0.00 C ATOM 93 CG1 ILE A 6 1.613 -5.486 -3.649 1.00 0.00 C ATOM 94 CG2 ILE A 6 1.792 -3.130 -4.460 1.00 0.00 C ATOM 95 CD1 ILE A 6 0.105 -5.289 -3.481 1.00 0.00 C ATOM 0 H ILE A 6 4.586 -5.038 -1.795 1.00 0.00 H new ATOM 0 HA ILE A 6 4.016 -4.650 -4.690 1.00 0.00 H new ATOM 0 HB ILE A 6 2.148 -3.782 -2.438 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.831 -5.883 -4.641 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.978 -6.216 -2.927 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.721 -2.996 -4.308 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.301 -2.176 -4.321 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.972 -3.493 -5.472 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.404 -6.242 -3.623 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.103 -4.911 -2.480 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.253 -4.573 -4.221 1.00 0.00 H new ATOM 107 N LEU A 7 4.465 -2.085 -4.310 1.00 0.00 N ATOM 108 CA LEU A 7 5.147 -0.775 -4.111 1.00 0.00 C ATOM 109 C LEU A 7 4.163 0.360 -4.397 1.00 0.00 C ATOM 110 O LEU A 7 3.523 0.394 -5.430 1.00 0.00 O ATOM 111 CB LEU A 7 6.338 -0.672 -5.068 1.00 0.00 C ATOM 112 CG LEU A 7 7.309 0.397 -4.564 1.00 0.00 C ATOM 113 CD1 LEU A 7 6.602 1.752 -4.520 1.00 0.00 C ATOM 114 CD2 LEU A 7 7.786 0.027 -3.157 1.00 0.00 C ATOM 0 H LEU A 7 3.949 -2.177 -5.185 1.00 0.00 H new ATOM 0 HA LEU A 7 5.499 -0.699 -3.082 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.845 -1.634 -5.139 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.992 -0.420 -6.070 1.00 0.00 H new ATOM 0 HG LEU A 7 8.164 0.456 -5.237 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.295 2.513 -4.161 1.00 0.00 H new ATOM 0 HD12 LEU A 7 6.260 2.017 -5.521 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.746 1.694 -3.847 1.00 0.00 H new ATOM 0 HD21 LEU A 7 8.478 0.788 -2.796 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.929 -0.032 -2.486 1.00 0.00 H new ATOM 0 HD23 LEU A 7 8.291 -0.939 -3.186 1.00 0.00 H new ATOM 126 N ILE A 8 4.035 1.291 -3.492 1.00 0.00 N ATOM 127 CA ILE A 8 3.091 2.422 -3.716 1.00 0.00 C ATOM 128 C ILE A 8 3.877 3.731 -3.810 1.00 0.00 C ATOM 129 O ILE A 8 4.397 4.226 -2.829 1.00 0.00 O ATOM 130 CB ILE A 8 2.104 2.502 -2.550 1.00 0.00 C ATOM 131 CG1 ILE A 8 1.380 1.161 -2.405 1.00 0.00 C ATOM 132 CG2 ILE A 8 1.080 3.606 -2.823 1.00 0.00 C ATOM 133 CD1 ILE A 8 0.194 1.320 -1.451 1.00 0.00 C ATOM 0 H ILE A 8 4.543 1.317 -2.608 1.00 0.00 H new ATOM 0 HA ILE A 8 2.543 2.259 -4.644 1.00 0.00 H new ATOM 0 HB ILE A 8 2.644 2.727 -1.630 1.00 0.00 H new ATOM 0 HG12 ILE A 8 1.033 0.816 -3.379 1.00 0.00 H new ATOM 0 HG13 ILE A 8 2.067 0.404 -2.025 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.377 3.663 -1.992 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.594 4.561 -2.929 1.00 0.00 H new ATOM 0 HG23 ILE A 8 0.539 3.381 -3.742 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.321 0.365 -1.348 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.553 1.645 -0.475 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.496 2.063 -1.850 1.00 0.00 H new ATOM 145 N VAL A 9 3.970 4.296 -4.983 1.00 0.00 N ATOM 146 CA VAL A 9 4.724 5.572 -5.137 1.00 0.00 C ATOM 147 C VAL A 9 3.764 6.755 -4.987 1.00 0.00 C ATOM 148 O VAL A 9 2.735 6.816 -5.631 1.00 0.00 O ATOM 149 CB VAL A 9 5.374 5.616 -6.521 1.00 0.00 C ATOM 150 CG1 VAL A 9 6.337 6.802 -6.596 1.00 0.00 C ATOM 151 CG2 VAL A 9 6.149 4.318 -6.760 1.00 0.00 C ATOM 0 H VAL A 9 3.557 3.929 -5.840 1.00 0.00 H new ATOM 0 HA VAL A 9 5.496 5.632 -4.370 1.00 0.00 H new ATOM 0 HB VAL A 9 4.601 5.726 -7.282 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.800 6.833 -7.582 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.788 7.728 -6.424 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.110 6.692 -5.836 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.613 4.348 -7.746 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.921 4.210 -5.999 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.465 3.471 -6.706 1.00 0.00 H new ATOM 161 N ASP A 10 4.091 7.693 -4.143 1.00 0.00 N ATOM 162 CA ASP A 10 3.198 8.871 -3.953 1.00 0.00 C ATOM 163 C ASP A 10 3.870 9.873 -3.011 1.00 0.00 C ATOM 164 O ASP A 10 4.228 9.547 -1.897 1.00 0.00 O ATOM 165 CB ASP A 10 1.870 8.411 -3.347 1.00 0.00 C ATOM 166 CG ASP A 10 0.747 9.335 -3.818 1.00 0.00 C ATOM 167 OD1 ASP A 10 0.589 10.392 -3.230 1.00 0.00 O ATOM 168 OD2 ASP A 10 0.063 8.971 -4.760 1.00 0.00 O ATOM 0 H ASP A 10 4.939 7.695 -3.576 1.00 0.00 H new ATOM 0 HA ASP A 10 3.012 9.346 -4.916 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.659 7.384 -3.644 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.932 8.422 -2.259 1.00 0.00 H new ATOM 173 N ASP A 11 4.043 11.089 -3.450 1.00 0.00 N ATOM 174 CA ASP A 11 4.692 12.109 -2.579 1.00 0.00 C ATOM 175 C ASP A 11 3.685 13.209 -2.239 1.00 0.00 C ATOM 176 O ASP A 11 3.671 14.261 -2.846 1.00 0.00 O ATOM 177 CB ASP A 11 5.886 12.723 -3.314 1.00 0.00 C ATOM 178 CG ASP A 11 5.527 12.932 -4.785 1.00 0.00 C ATOM 179 OD1 ASP A 11 4.386 13.267 -5.056 1.00 0.00 O ATOM 180 OD2 ASP A 11 6.400 12.752 -5.617 1.00 0.00 O ATOM 0 H ASP A 11 3.763 11.420 -4.373 1.00 0.00 H new ATOM 0 HA ASP A 11 5.034 11.634 -1.660 1.00 0.00 H new ATOM 0 HB2 ASP A 11 6.158 13.674 -2.856 1.00 0.00 H new ATOM 0 HB3 ASP A 11 6.754 12.069 -3.230 1.00 0.00 H new ATOM 185 N GLN A 12 2.842 12.976 -1.270 1.00 0.00 N ATOM 186 CA GLN A 12 1.840 14.010 -0.890 1.00 0.00 C ATOM 187 C GLN A 12 1.047 13.527 0.331 1.00 0.00 C ATOM 188 O GLN A 12 1.542 13.541 1.441 1.00 0.00 O ATOM 189 CB GLN A 12 0.895 14.260 -2.069 1.00 0.00 C ATOM 190 CG GLN A 12 -0.148 15.308 -1.676 1.00 0.00 C ATOM 191 CD GLN A 12 -1.342 15.224 -2.628 1.00 0.00 C ATOM 192 OE1 GLN A 12 -2.478 15.253 -2.199 1.00 0.00 O ATOM 193 NE2 GLN A 12 -1.131 15.118 -3.911 1.00 0.00 N ATOM 0 H GLN A 12 2.804 12.114 -0.726 1.00 0.00 H new ATOM 0 HA GLN A 12 2.348 14.941 -0.638 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.461 14.602 -2.936 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.402 13.331 -2.357 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.476 15.143 -0.650 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.291 16.305 -1.714 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.177 15.094 -4.271 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.920 15.059 -4.555 1.00 0.00 H new ATOM 202 N TYR A 13 -0.175 13.099 0.147 1.00 0.00 N ATOM 203 CA TYR A 13 -0.975 12.621 1.310 1.00 0.00 C ATOM 204 C TYR A 13 -2.355 12.167 0.830 1.00 0.00 C ATOM 205 O TYR A 13 -3.109 12.934 0.265 1.00 0.00 O ATOM 206 CB TYR A 13 -1.136 13.760 2.320 1.00 0.00 C ATOM 207 CG TYR A 13 -1.826 13.241 3.559 1.00 0.00 C ATOM 208 CD1 TYR A 13 -1.267 12.177 4.278 1.00 0.00 C ATOM 209 CD2 TYR A 13 -3.024 13.823 3.988 1.00 0.00 C ATOM 210 CE1 TYR A 13 -1.907 11.697 5.427 1.00 0.00 C ATOM 211 CE2 TYR A 13 -3.664 13.342 5.137 1.00 0.00 C ATOM 212 CZ TYR A 13 -3.106 12.279 5.856 1.00 0.00 C ATOM 213 OH TYR A 13 -3.737 11.805 6.988 1.00 0.00 O ATOM 0 H TYR A 13 -0.650 13.060 -0.755 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.462 11.784 1.783 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.160 14.171 2.579 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.717 14.571 1.880 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.343 11.727 3.946 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.455 14.643 3.433 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.476 10.877 5.983 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.588 13.792 5.468 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.556 12.320 7.146 1.00 0.00 H new ATOM 223 N GLY A 14 -2.695 10.927 1.054 1.00 0.00 N ATOM 224 CA GLY A 14 -4.030 10.431 0.612 1.00 0.00 C ATOM 225 C GLY A 14 -3.880 9.059 -0.047 1.00 0.00 C ATOM 226 O GLY A 14 -4.577 8.122 0.284 1.00 0.00 O ATOM 0 H GLY A 14 -2.108 10.237 1.523 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.704 10.363 1.466 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.476 11.135 -0.090 1.00 0.00 H new ATOM 230 N ILE A 15 -2.978 8.933 -0.981 1.00 0.00 N ATOM 231 CA ILE A 15 -2.789 7.620 -1.662 1.00 0.00 C ATOM 232 C ILE A 15 -1.918 6.710 -0.793 1.00 0.00 C ATOM 233 O ILE A 15 -2.291 5.600 -0.471 1.00 0.00 O ATOM 234 CB ILE A 15 -2.106 7.840 -3.014 1.00 0.00 C ATOM 235 CG1 ILE A 15 -3.094 8.495 -3.982 1.00 0.00 C ATOM 236 CG2 ILE A 15 -1.652 6.495 -3.582 1.00 0.00 C ATOM 237 CD1 ILE A 15 -2.691 9.952 -4.214 1.00 0.00 C ATOM 0 H ILE A 15 -2.364 9.681 -1.302 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.760 7.150 -1.816 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.240 8.489 -2.883 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.105 7.954 -4.928 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.104 8.446 -3.576 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.166 6.652 -4.545 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.949 6.027 -2.892 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.517 5.845 -3.714 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.395 10.419 -4.903 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.703 10.488 -3.265 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.688 9.989 -4.639 1.00 0.00 H new ATOM 249 N ARG A 16 -0.757 7.169 -0.413 1.00 0.00 N ATOM 250 CA ARG A 16 0.137 6.327 0.430 1.00 0.00 C ATOM 251 C ARG A 16 -0.644 5.782 1.628 1.00 0.00 C ATOM 252 O ARG A 16 -0.352 4.720 2.138 1.00 0.00 O ATOM 253 CB ARG A 16 1.310 7.174 0.929 1.00 0.00 C ATOM 254 CG ARG A 16 2.623 6.579 0.417 1.00 0.00 C ATOM 255 CD ARG A 16 3.319 7.587 -0.498 1.00 0.00 C ATOM 256 NE ARG A 16 4.657 7.928 0.064 1.00 0.00 N ATOM 257 CZ ARG A 16 4.755 8.748 1.076 1.00 0.00 C ATOM 258 NH1 ARG A 16 3.682 9.275 1.600 1.00 0.00 N ATOM 259 NH2 ARG A 16 5.929 9.042 1.563 1.00 0.00 N ATOM 0 H ARG A 16 -0.389 8.090 -0.650 1.00 0.00 H new ATOM 0 HA ARG A 16 0.513 5.494 -0.163 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.204 8.202 0.581 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.313 7.205 2.019 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.271 6.326 1.256 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.428 5.654 -0.126 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.429 7.170 -1.499 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.712 8.488 -0.593 1.00 0.00 H new ATOM 0 HE ARG A 16 5.498 7.520 -0.343 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.764 9.047 1.219 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.762 9.915 2.390 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.768 8.632 1.154 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.008 9.682 2.353 1.00 0.00 H new ATOM 273 N ILE A 17 -1.631 6.504 2.087 1.00 0.00 N ATOM 274 CA ILE A 17 -2.422 6.024 3.256 1.00 0.00 C ATOM 275 C ILE A 17 -3.609 5.186 2.773 1.00 0.00 C ATOM 276 O ILE A 17 -3.697 4.006 3.043 1.00 0.00 O ATOM 277 CB ILE A 17 -2.937 7.225 4.050 1.00 0.00 C ATOM 278 CG1 ILE A 17 -1.904 8.354 3.992 1.00 0.00 C ATOM 279 CG2 ILE A 17 -3.162 6.816 5.507 1.00 0.00 C ATOM 280 CD1 ILE A 17 -0.520 7.797 4.331 1.00 0.00 C ATOM 0 H ILE A 17 -1.923 7.403 1.704 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.785 5.410 3.892 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.878 7.568 3.620 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.894 8.802 2.998 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.172 9.143 4.694 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.529 7.672 6.073 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.896 6.011 5.550 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.222 6.473 5.938 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.216 8.600 4.290 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.535 7.370 5.334 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.253 7.023 3.611 1.00 0.00 H new ATOM 292 N LEU A 18 -4.527 5.789 2.070 1.00 0.00 N ATOM 293 CA LEU A 18 -5.710 5.027 1.579 1.00 0.00 C ATOM 294 C LEU A 18 -5.250 3.727 0.914 1.00 0.00 C ATOM 295 O LEU A 18 -5.607 2.645 1.333 1.00 0.00 O ATOM 296 CB LEU A 18 -6.479 5.875 0.563 1.00 0.00 C ATOM 297 CG LEU A 18 -7.401 6.847 1.302 1.00 0.00 C ATOM 298 CD1 LEU A 18 -6.619 7.551 2.413 1.00 0.00 C ATOM 299 CD2 LEU A 18 -7.934 7.890 0.316 1.00 0.00 C ATOM 0 H LEU A 18 -4.510 6.776 1.814 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.359 4.790 2.422 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.782 6.427 -0.068 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.064 5.232 -0.095 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.234 6.296 1.738 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.277 8.243 2.939 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.237 6.810 3.115 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.785 8.102 1.978 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.591 8.584 0.840 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.099 8.439 -0.119 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.492 7.390 -0.476 1.00 0.00 H new ATOM 311 N LEU A 19 -4.464 3.825 -0.123 1.00 0.00 N ATOM 312 CA LEU A 19 -3.987 2.595 -0.816 1.00 0.00 C ATOM 313 C LEU A 19 -3.327 1.656 0.198 1.00 0.00 C ATOM 314 O LEU A 19 -3.328 0.452 0.033 1.00 0.00 O ATOM 315 CB LEU A 19 -2.970 2.978 -1.893 1.00 0.00 C ATOM 316 CG LEU A 19 -3.569 2.719 -3.276 1.00 0.00 C ATOM 317 CD1 LEU A 19 -4.462 3.895 -3.674 1.00 0.00 C ATOM 318 CD2 LEU A 19 -2.440 2.568 -4.299 1.00 0.00 C ATOM 0 H LEU A 19 -4.132 4.704 -0.520 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.835 2.089 -1.279 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.698 4.029 -1.794 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.055 2.399 -1.767 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.162 1.805 -3.250 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.889 3.710 -4.660 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.265 4.005 -2.945 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.869 4.809 -3.701 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.865 2.383 -5.286 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.848 3.483 -4.325 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.802 1.730 -4.016 1.00 0.00 H new ATOM 330 N ASN A 20 -2.763 2.195 1.242 1.00 0.00 N ATOM 331 CA ASN A 20 -2.101 1.332 2.262 1.00 0.00 C ATOM 332 C ASN A 20 -3.159 0.525 3.019 1.00 0.00 C ATOM 333 O ASN A 20 -3.281 -0.671 2.847 1.00 0.00 O ATOM 334 CB ASN A 20 -1.328 2.210 3.247 1.00 0.00 C ATOM 335 CG ASN A 20 -0.754 1.340 4.367 1.00 0.00 C ATOM 336 OD1 ASN A 20 -0.539 0.159 4.184 1.00 0.00 O ATOM 337 ND2 ASN A 20 -0.494 1.879 5.527 1.00 0.00 N ATOM 0 H ASN A 20 -2.731 3.196 1.434 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.413 0.648 1.765 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.523 2.733 2.730 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.986 2.972 3.665 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.110 1.308 6.280 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.675 2.871 5.680 1.00 0.00 H new ATOM 344 N GLU A 21 -3.921 1.171 3.860 1.00 0.00 N ATOM 345 CA GLU A 21 -4.969 0.442 4.632 1.00 0.00 C ATOM 346 C GLU A 21 -5.699 -0.539 3.712 1.00 0.00 C ATOM 347 O GLU A 21 -6.045 -1.634 4.109 1.00 0.00 O ATOM 348 CB GLU A 21 -5.972 1.447 5.204 1.00 0.00 C ATOM 349 CG GLU A 21 -6.457 0.962 6.571 1.00 0.00 C ATOM 350 CD GLU A 21 -6.663 2.163 7.496 1.00 0.00 C ATOM 351 OE1 GLU A 21 -5.758 2.976 7.589 1.00 0.00 O ATOM 352 OE2 GLU A 21 -7.723 2.250 8.094 1.00 0.00 O ATOM 0 H GLU A 21 -3.863 2.172 4.046 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.499 -0.109 5.447 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.506 2.428 5.299 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.817 1.560 4.525 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.390 0.409 6.462 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.729 0.276 7.005 1.00 0.00 H new ATOM 359 N VAL A 22 -5.937 -0.157 2.488 1.00 0.00 N ATOM 360 CA VAL A 22 -6.644 -1.069 1.548 1.00 0.00 C ATOM 361 C VAL A 22 -5.816 -2.339 1.347 1.00 0.00 C ATOM 362 O VAL A 22 -6.287 -3.439 1.559 1.00 0.00 O ATOM 363 CB VAL A 22 -6.834 -0.366 0.202 1.00 0.00 C ATOM 364 CG1 VAL A 22 -7.753 -1.205 -0.688 1.00 0.00 C ATOM 365 CG2 VAL A 22 -7.464 1.009 0.430 1.00 0.00 C ATOM 0 H VAL A 22 -5.672 0.748 2.099 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.617 -1.333 1.962 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.866 -0.247 -0.285 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.888 -0.704 -1.646 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.306 -2.186 -0.851 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.721 -1.324 -0.201 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.600 1.510 -0.528 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.432 0.890 0.917 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.810 1.608 1.064 1.00 0.00 H new ATOM 375 N PHE A 23 -4.585 -2.197 0.939 1.00 0.00 N ATOM 376 CA PHE A 23 -3.727 -3.397 0.725 1.00 0.00 C ATOM 377 C PHE A 23 -3.229 -3.919 2.076 1.00 0.00 C ATOM 378 O PHE A 23 -2.484 -4.876 2.144 1.00 0.00 O ATOM 379 CB PHE A 23 -2.529 -3.016 -0.147 1.00 0.00 C ATOM 380 CG PHE A 23 -3.017 -2.572 -1.505 1.00 0.00 C ATOM 381 CD1 PHE A 23 -4.069 -3.253 -2.129 1.00 0.00 C ATOM 382 CD2 PHE A 23 -2.417 -1.478 -2.140 1.00 0.00 C ATOM 383 CE1 PHE A 23 -4.521 -2.841 -3.387 1.00 0.00 C ATOM 384 CE2 PHE A 23 -2.869 -1.066 -3.400 1.00 0.00 C ATOM 385 CZ PHE A 23 -3.922 -1.748 -4.023 1.00 0.00 C ATOM 0 H PHE A 23 -4.136 -1.302 0.744 1.00 0.00 H new ATOM 0 HA PHE A 23 -4.308 -4.174 0.228 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -1.961 -2.216 0.327 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.856 -3.867 -0.251 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.532 -4.097 -1.639 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -1.606 -0.952 -1.658 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -5.333 -3.367 -3.868 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -2.406 -0.223 -3.891 1.00 0.00 H new ATOM 0 HZ PHE A 23 -4.272 -1.430 -4.994 1.00 0.00 H new ATOM 395 N ASN A 24 -3.636 -3.301 3.152 1.00 0.00 N ATOM 396 CA ASN A 24 -3.185 -3.765 4.493 1.00 0.00 C ATOM 397 C ASN A 24 -4.169 -4.806 5.030 1.00 0.00 C ATOM 398 O ASN A 24 -3.782 -5.865 5.482 1.00 0.00 O ATOM 399 CB ASN A 24 -3.126 -2.575 5.453 1.00 0.00 C ATOM 400 CG ASN A 24 -1.672 -2.139 5.639 1.00 0.00 C ATOM 401 OD1 ASN A 24 -0.845 -2.222 4.632 1.00 0.00 O flip ATOM 402 ND2 ASN A 24 -1.284 -1.718 6.710 1.00 0.00 N flip ATOM 0 H ASN A 24 -4.261 -2.495 3.159 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.194 -4.211 4.408 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.717 -1.748 5.060 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.560 -2.848 6.415 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.930 -1.653 7.497 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.312 -1.429 6.823 1.00 0.00 H new ATOM 409 N LYS A 25 -5.440 -4.512 4.986 1.00 0.00 N ATOM 410 CA LYS A 25 -6.447 -5.486 5.494 1.00 0.00 C ATOM 411 C LYS A 25 -6.648 -6.598 4.464 1.00 0.00 C ATOM 412 O LYS A 25 -6.666 -7.767 4.793 1.00 0.00 O ATOM 413 CB LYS A 25 -7.777 -4.765 5.731 1.00 0.00 C ATOM 414 CG LYS A 25 -8.324 -5.143 7.109 1.00 0.00 C ATOM 415 CD LYS A 25 -8.365 -3.901 8.002 1.00 0.00 C ATOM 416 CE LYS A 25 -8.569 -4.323 9.457 1.00 0.00 C ATOM 417 NZ LYS A 25 -7.318 -4.946 9.975 1.00 0.00 N ATOM 0 H LYS A 25 -5.824 -3.641 4.621 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.094 -5.918 6.430 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.634 -3.686 5.668 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.494 -5.037 4.956 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.324 -5.566 7.011 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.696 -5.910 7.563 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.437 -3.338 7.903 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.173 -3.241 7.687 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.835 -3.457 10.064 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.396 -5.029 9.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.300 -4.878 11.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.286 -5.946 9.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.494 -4.449 9.581 1.00 0.00 H new ATOM 431 N GLU A 26 -6.799 -6.244 3.216 1.00 0.00 N ATOM 432 CA GLU A 26 -6.997 -7.282 2.166 1.00 0.00 C ATOM 433 C GLU A 26 -5.888 -8.332 2.271 1.00 0.00 C ATOM 434 O GLU A 26 -6.037 -9.453 1.827 1.00 0.00 O ATOM 435 CB GLU A 26 -6.950 -6.627 0.785 1.00 0.00 C ATOM 436 CG GLU A 26 -8.059 -7.208 -0.095 1.00 0.00 C ATOM 437 CD GLU A 26 -8.569 -6.130 -1.052 1.00 0.00 C ATOM 438 OE1 GLU A 26 -8.984 -5.088 -0.574 1.00 0.00 O ATOM 439 OE2 GLU A 26 -8.535 -6.365 -2.249 1.00 0.00 O ATOM 0 H GLU A 26 -6.794 -5.281 2.879 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.966 -7.761 2.307 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.073 -5.548 0.878 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.978 -6.798 0.323 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.681 -8.061 -0.659 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.876 -7.574 0.526 1.00 0.00 H new ATOM 446 N GLY A 27 -4.776 -7.978 2.855 1.00 0.00 N ATOM 447 CA GLY A 27 -3.659 -8.955 2.988 1.00 0.00 C ATOM 448 C GLY A 27 -2.616 -8.690 1.902 1.00 0.00 C ATOM 449 O GLY A 27 -2.489 -9.439 0.953 1.00 0.00 O ATOM 0 H GLY A 27 -4.593 -7.054 3.246 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.202 -8.869 3.974 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.040 -9.973 2.901 1.00 0.00 H new ATOM 453 N TYR A 28 -1.866 -7.630 2.032 1.00 0.00 N ATOM 454 CA TYR A 28 -0.832 -7.318 1.005 1.00 0.00 C ATOM 455 C TYR A 28 0.280 -6.480 1.639 1.00 0.00 C ATOM 456 O TYR A 28 0.024 -5.534 2.357 1.00 0.00 O ATOM 457 CB TYR A 28 -1.469 -6.530 -0.141 1.00 0.00 C ATOM 458 CG TYR A 28 -2.459 -7.406 -0.870 1.00 0.00 C ATOM 459 CD1 TYR A 28 -3.797 -7.445 -0.456 1.00 0.00 C ATOM 460 CD2 TYR A 28 -2.042 -8.177 -1.960 1.00 0.00 C ATOM 461 CE1 TYR A 28 -4.716 -8.253 -1.134 1.00 0.00 C ATOM 462 CE2 TYR A 28 -2.961 -8.987 -2.639 1.00 0.00 C ATOM 463 CZ TYR A 28 -4.298 -9.024 -2.225 1.00 0.00 C ATOM 464 OH TYR A 28 -5.206 -9.821 -2.893 1.00 0.00 O ATOM 0 H TYR A 28 -1.925 -6.967 2.805 1.00 0.00 H new ATOM 0 HA TYR A 28 -0.414 -8.248 0.619 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.970 -5.644 0.248 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.698 -6.184 -0.830 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -4.119 -6.851 0.387 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.010 -8.148 -2.278 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.748 -8.282 -0.816 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -2.639 -9.582 -3.481 1.00 0.00 H new ATOM 0 HH TYR A 28 -5.142 -9.653 -3.856 1.00 0.00 H new ATOM 474 N GLN A 29 1.513 -6.815 1.375 1.00 0.00 N ATOM 475 CA GLN A 29 2.640 -6.033 1.959 1.00 0.00 C ATOM 476 C GLN A 29 3.080 -4.961 0.960 1.00 0.00 C ATOM 477 O GLN A 29 4.020 -5.144 0.213 1.00 0.00 O ATOM 478 CB GLN A 29 3.812 -6.969 2.254 1.00 0.00 C ATOM 479 CG GLN A 29 3.284 -8.288 2.821 1.00 0.00 C ATOM 480 CD GLN A 29 2.489 -8.014 4.098 1.00 0.00 C ATOM 481 OE1 GLN A 29 1.421 -8.559 4.292 1.00 0.00 O ATOM 482 NE2 GLN A 29 2.969 -7.185 4.984 1.00 0.00 N ATOM 0 H GLN A 29 1.789 -7.596 0.780 1.00 0.00 H new ATOM 0 HA GLN A 29 2.316 -5.559 2.885 1.00 0.00 H new ATOM 0 HB2 GLN A 29 4.381 -7.155 1.343 1.00 0.00 H new ATOM 0 HB3 GLN A 29 4.493 -6.502 2.965 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.651 -8.784 2.086 1.00 0.00 H new ATOM 0 HG3 GLN A 29 4.114 -8.962 3.034 1.00 0.00 H new ATOM 0 HE21 GLN A 29 3.866 -6.727 4.821 1.00 0.00 H new ATOM 0 HE22 GLN A 29 2.447 -6.995 5.840 1.00 0.00 H new ATOM 491 N THR A 30 2.405 -3.845 0.938 1.00 0.00 N ATOM 492 CA THR A 30 2.782 -2.764 -0.016 1.00 0.00 C ATOM 493 C THR A 30 3.804 -1.834 0.640 1.00 0.00 C ATOM 494 O THR A 30 3.866 -1.716 1.848 1.00 0.00 O ATOM 495 CB THR A 30 1.536 -1.960 -0.395 1.00 0.00 C ATOM 496 OG1 THR A 30 1.244 -1.029 0.637 1.00 0.00 O ATOM 497 CG2 THR A 30 0.350 -2.910 -0.577 1.00 0.00 C ATOM 0 H THR A 30 1.608 -3.635 1.539 1.00 0.00 H new ATOM 0 HA THR A 30 3.217 -3.209 -0.911 1.00 0.00 H new ATOM 0 HB THR A 30 1.717 -1.425 -1.327 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.366 -0.626 0.475 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.537 -2.337 -0.847 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.575 -3.625 -1.368 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.166 -3.446 0.354 1.00 0.00 H new ATOM 505 N PHE A 31 4.606 -1.170 -0.148 1.00 0.00 N ATOM 506 CA PHE A 31 5.621 -0.246 0.429 1.00 0.00 C ATOM 507 C PHE A 31 5.273 1.193 0.041 1.00 0.00 C ATOM 508 O PHE A 31 4.218 1.462 -0.499 1.00 0.00 O ATOM 509 CB PHE A 31 7.006 -0.602 -0.118 1.00 0.00 C ATOM 510 CG PHE A 31 7.559 -1.784 0.642 1.00 0.00 C ATOM 511 CD1 PHE A 31 7.138 -3.080 0.324 1.00 0.00 C ATOM 512 CD2 PHE A 31 8.492 -1.583 1.666 1.00 0.00 C ATOM 513 CE1 PHE A 31 7.650 -4.176 1.028 1.00 0.00 C ATOM 514 CE2 PHE A 31 9.005 -2.678 2.371 1.00 0.00 C ATOM 515 CZ PHE A 31 8.584 -3.975 2.052 1.00 0.00 C ATOM 0 H PHE A 31 4.601 -1.228 -1.166 1.00 0.00 H new ATOM 0 HA PHE A 31 5.626 -0.341 1.515 1.00 0.00 H new ATOM 0 HB2 PHE A 31 6.940 -0.838 -1.180 1.00 0.00 H new ATOM 0 HB3 PHE A 31 7.677 0.252 -0.022 1.00 0.00 H new ATOM 0 HD1 PHE A 31 6.417 -3.235 -0.465 1.00 0.00 H new ATOM 0 HD2 PHE A 31 8.816 -0.583 1.912 1.00 0.00 H new ATOM 0 HE1 PHE A 31 7.325 -5.176 0.782 1.00 0.00 H new ATOM 0 HE2 PHE A 31 9.725 -2.523 3.161 1.00 0.00 H new ATOM 0 HZ PHE A 31 8.980 -4.820 2.596 1.00 0.00 H new ATOM 525 N GLN A 32 6.150 2.121 0.313 1.00 0.00 N ATOM 526 CA GLN A 32 5.861 3.540 -0.040 1.00 0.00 C ATOM 527 C GLN A 32 6.986 4.088 -0.920 1.00 0.00 C ATOM 528 O GLN A 32 8.107 3.621 -0.875 1.00 0.00 O ATOM 529 CB GLN A 32 5.760 4.373 1.239 1.00 0.00 C ATOM 530 CG GLN A 32 4.761 3.720 2.197 1.00 0.00 C ATOM 531 CD GLN A 32 4.009 4.806 2.969 1.00 0.00 C ATOM 532 OE1 GLN A 32 4.432 5.944 3.008 1.00 0.00 O ATOM 533 NE2 GLN A 32 2.902 4.500 3.589 1.00 0.00 N ATOM 0 H GLN A 32 7.051 1.959 0.763 1.00 0.00 H new ATOM 0 HA GLN A 32 4.918 3.594 -0.584 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.738 4.450 1.714 1.00 0.00 H new ATOM 0 HB3 GLN A 32 5.441 5.388 1.000 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.057 3.102 1.640 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.284 3.061 2.891 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.547 3.544 3.556 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.392 5.216 4.106 1.00 0.00 H new ATOM 542 N ALA A 33 6.696 5.079 -1.718 1.00 0.00 N ATOM 543 CA ALA A 33 7.746 5.661 -2.600 1.00 0.00 C ATOM 544 C ALA A 33 7.412 7.126 -2.889 1.00 0.00 C ATOM 545 O ALA A 33 6.583 7.723 -2.231 1.00 0.00 O ATOM 546 CB ALA A 33 7.799 4.881 -3.915 1.00 0.00 C ATOM 0 H ALA A 33 5.775 5.511 -1.797 1.00 0.00 H new ATOM 0 HA ALA A 33 8.714 5.599 -2.103 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.567 5.307 -4.560 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.036 3.837 -3.710 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.832 4.942 -4.414 1.00 0.00 H new ATOM 552 N ALA A 34 8.049 7.710 -3.866 1.00 0.00 N ATOM 553 CA ALA A 34 7.763 9.136 -4.193 1.00 0.00 C ATOM 554 C ALA A 34 8.877 9.692 -5.081 1.00 0.00 C ATOM 555 O ALA A 34 8.647 10.089 -6.206 1.00 0.00 O ATOM 556 CB ALA A 34 7.689 9.949 -2.899 1.00 0.00 C ATOM 0 H ALA A 34 8.754 7.263 -4.452 1.00 0.00 H new ATOM 0 HA ALA A 34 6.812 9.203 -4.721 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.480 10.992 -3.136 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.894 9.554 -2.266 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.640 9.881 -2.371 1.00 0.00 H new ATOM 562 N ASN A 35 10.084 9.726 -4.586 1.00 0.00 N ATOM 563 CA ASN A 35 11.210 10.259 -5.403 1.00 0.00 C ATOM 564 C ASN A 35 11.540 9.273 -6.527 1.00 0.00 C ATOM 565 O ASN A 35 12.371 9.538 -7.373 1.00 0.00 O ATOM 566 CB ASN A 35 12.441 10.445 -4.513 1.00 0.00 C ATOM 567 CG ASN A 35 12.703 9.161 -3.725 1.00 0.00 C ATOM 568 OD1 ASN A 35 13.455 8.311 -4.159 1.00 0.00 O ATOM 569 ND2 ASN A 35 12.110 8.982 -2.576 1.00 0.00 N ATOM 0 H ASN A 35 10.339 9.408 -3.651 1.00 0.00 H new ATOM 0 HA ASN A 35 10.922 11.218 -5.834 1.00 0.00 H new ATOM 0 HB2 ASN A 35 13.309 10.693 -5.123 1.00 0.00 H new ATOM 0 HB3 ASN A 35 12.285 11.278 -3.828 1.00 0.00 H new ATOM 0 HD21 ASN A 35 12.278 8.129 -2.043 1.00 0.00 H new ATOM 0 HD22 ASN A 35 11.479 9.695 -2.211 1.00 0.00 H new ATOM 576 N GLY A 36 10.895 8.138 -6.545 1.00 0.00 N ATOM 577 CA GLY A 36 11.175 7.140 -7.616 1.00 0.00 C ATOM 578 C GLY A 36 12.355 6.262 -7.201 1.00 0.00 C ATOM 579 O GLY A 36 12.222 5.066 -7.029 1.00 0.00 O ATOM 0 H GLY A 36 10.187 7.859 -5.865 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.294 6.523 -7.792 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.400 7.650 -8.553 1.00 0.00 H new ATOM 583 N LEU A 37 13.512 6.844 -7.039 1.00 0.00 N ATOM 584 CA LEU A 37 14.700 6.040 -6.635 1.00 0.00 C ATOM 585 C LEU A 37 14.306 5.081 -5.509 1.00 0.00 C ATOM 586 O LEU A 37 14.833 3.992 -5.396 1.00 0.00 O ATOM 587 CB LEU A 37 15.806 6.976 -6.143 1.00 0.00 C ATOM 588 CG LEU A 37 16.923 7.038 -7.187 1.00 0.00 C ATOM 589 CD1 LEU A 37 17.442 5.625 -7.462 1.00 0.00 C ATOM 590 CD2 LEU A 37 16.376 7.640 -8.483 1.00 0.00 C ATOM 0 H LEU A 37 13.686 7.841 -7.169 1.00 0.00 H new ATOM 0 HA LEU A 37 15.061 5.469 -7.490 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.402 7.973 -5.967 1.00 0.00 H new ATOM 0 HB3 LEU A 37 16.202 6.620 -5.192 1.00 0.00 H new ATOM 0 HG LEU A 37 17.737 7.659 -6.812 1.00 0.00 H new ATOM 0 HD11 LEU A 37 18.238 5.668 -8.206 1.00 0.00 H new ATOM 0 HD12 LEU A 37 17.831 5.194 -6.539 1.00 0.00 H new ATOM 0 HD13 LEU A 37 16.628 5.005 -7.837 1.00 0.00 H new ATOM 0 HD21 LEU A 37 17.171 7.685 -9.227 1.00 0.00 H new ATOM 0 HD22 LEU A 37 15.562 7.019 -8.858 1.00 0.00 H new ATOM 0 HD23 LEU A 37 16.004 8.646 -8.288 1.00 0.00 H new ATOM 602 N GLN A 38 13.384 5.477 -4.675 1.00 0.00 N ATOM 603 CA GLN A 38 12.959 4.587 -3.558 1.00 0.00 C ATOM 604 C GLN A 38 12.177 3.399 -4.121 1.00 0.00 C ATOM 605 O GLN A 38 12.562 2.258 -3.959 1.00 0.00 O ATOM 606 CB GLN A 38 12.067 5.372 -2.592 1.00 0.00 C ATOM 607 CG GLN A 38 12.472 5.055 -1.151 1.00 0.00 C ATOM 608 CD GLN A 38 13.935 5.447 -0.935 1.00 0.00 C ATOM 609 OE1 GLN A 38 14.870 4.556 -1.118 1.00 0.00 O flip ATOM 610 NE2 GLN A 38 14.230 6.576 -0.595 1.00 0.00 N flip ATOM 0 H GLN A 38 12.907 6.378 -4.719 1.00 0.00 H new ATOM 0 HA GLN A 38 13.839 4.224 -3.028 1.00 0.00 H new ATOM 0 HB2 GLN A 38 12.161 6.441 -2.781 1.00 0.00 H new ATOM 0 HB3 GLN A 38 11.021 5.111 -2.753 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.832 5.597 -0.454 1.00 0.00 H new ATOM 0 HG3 GLN A 38 12.335 3.993 -0.949 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.499 7.273 -0.452 1.00 0.00 H new ATOM 0 HE22 GLN A 38 15.208 6.827 -0.453 1.00 0.00 H new ATOM 619 N ALA A 39 11.083 3.656 -4.784 1.00 0.00 N ATOM 620 CA ALA A 39 10.279 2.541 -5.358 1.00 0.00 C ATOM 621 C ALA A 39 11.213 1.530 -6.027 1.00 0.00 C ATOM 622 O ALA A 39 11.078 0.335 -5.851 1.00 0.00 O ATOM 623 CB ALA A 39 9.302 3.097 -6.396 1.00 0.00 C ATOM 0 H ALA A 39 10.711 4.591 -4.953 1.00 0.00 H new ATOM 0 HA ALA A 39 9.721 2.049 -4.561 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.714 2.281 -6.816 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.636 3.817 -5.920 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.859 3.590 -7.193 1.00 0.00 H new ATOM 629 N LEU A 40 12.160 2.000 -6.792 1.00 0.00 N ATOM 630 CA LEU A 40 13.101 1.065 -7.471 1.00 0.00 C ATOM 631 C LEU A 40 13.876 0.269 -6.419 1.00 0.00 C ATOM 632 O LEU A 40 14.048 -0.928 -6.536 1.00 0.00 O ATOM 633 CB LEU A 40 14.082 1.865 -8.330 1.00 0.00 C ATOM 634 CG LEU A 40 13.331 2.510 -9.496 1.00 0.00 C ATOM 635 CD1 LEU A 40 13.906 3.902 -9.765 1.00 0.00 C ATOM 636 CD2 LEU A 40 13.493 1.644 -10.747 1.00 0.00 C ATOM 0 H LEU A 40 12.323 2.990 -6.976 1.00 0.00 H new ATOM 0 HA LEU A 40 12.539 0.379 -8.104 1.00 0.00 H new ATOM 0 HB2 LEU A 40 14.567 2.633 -7.727 1.00 0.00 H new ATOM 0 HB3 LEU A 40 14.868 1.211 -8.707 1.00 0.00 H new ATOM 0 HG LEU A 40 12.274 2.595 -9.245 1.00 0.00 H new ATOM 0 HD11 LEU A 40 13.371 4.362 -10.596 1.00 0.00 H new ATOM 0 HD12 LEU A 40 13.794 4.520 -8.874 1.00 0.00 H new ATOM 0 HD13 LEU A 40 14.963 3.817 -10.017 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.958 2.103 -11.579 1.00 0.00 H new ATOM 0 HD22 LEU A 40 14.551 1.561 -10.997 1.00 0.00 H new ATOM 0 HD23 LEU A 40 13.086 0.651 -10.557 1.00 0.00 H new ATOM 648 N ASP A 41 14.344 0.924 -5.391 1.00 0.00 N ATOM 649 CA ASP A 41 15.106 0.203 -4.334 1.00 0.00 C ATOM 650 C ASP A 41 14.257 -0.947 -3.787 1.00 0.00 C ATOM 651 O ASP A 41 14.654 -2.095 -3.821 1.00 0.00 O ATOM 652 CB ASP A 41 15.445 1.172 -3.199 1.00 0.00 C ATOM 653 CG ASP A 41 16.903 0.979 -2.780 1.00 0.00 C ATOM 654 OD1 ASP A 41 17.428 -0.098 -3.009 1.00 0.00 O ATOM 655 OD2 ASP A 41 17.471 1.912 -2.236 1.00 0.00 O ATOM 0 H ASP A 41 14.231 1.926 -5.238 1.00 0.00 H new ATOM 0 HA ASP A 41 16.027 -0.196 -4.758 1.00 0.00 H new ATOM 0 HB2 ASP A 41 15.282 2.200 -3.524 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.785 0.998 -2.349 1.00 0.00 H new ATOM 660 N ILE A 42 13.091 -0.648 -3.284 1.00 0.00 N ATOM 661 CA ILE A 42 12.218 -1.722 -2.736 1.00 0.00 C ATOM 662 C ILE A 42 11.867 -2.712 -3.849 1.00 0.00 C ATOM 663 O ILE A 42 11.497 -3.841 -3.596 1.00 0.00 O ATOM 664 CB ILE A 42 10.934 -1.103 -2.181 1.00 0.00 C ATOM 665 CG1 ILE A 42 11.251 -0.346 -0.889 1.00 0.00 C ATOM 666 CG2 ILE A 42 9.918 -2.208 -1.886 1.00 0.00 C ATOM 667 CD1 ILE A 42 11.288 1.157 -1.174 1.00 0.00 C ATOM 0 H ILE A 42 12.705 0.295 -3.229 1.00 0.00 H new ATOM 0 HA ILE A 42 12.744 -2.245 -1.937 1.00 0.00 H new ATOM 0 HB ILE A 42 10.517 -0.414 -2.916 1.00 0.00 H new ATOM 0 HG12 ILE A 42 10.497 -0.565 -0.132 1.00 0.00 H new ATOM 0 HG13 ILE A 42 12.210 -0.675 -0.488 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.004 -1.765 -1.491 1.00 0.00 H new ATOM 0 HG22 ILE A 42 9.692 -2.749 -2.805 1.00 0.00 H new ATOM 0 HG23 ILE A 42 10.334 -2.898 -1.152 1.00 0.00 H new ATOM 0 HD11 ILE A 42 11.514 1.696 -0.254 1.00 0.00 H new ATOM 0 HD12 ILE A 42 12.058 1.368 -1.916 1.00 0.00 H new ATOM 0 HD13 ILE A 42 10.319 1.479 -1.555 1.00 0.00 H new ATOM 679 N VAL A 43 11.981 -2.298 -5.081 1.00 0.00 N ATOM 680 CA VAL A 43 11.654 -3.215 -6.209 1.00 0.00 C ATOM 681 C VAL A 43 12.829 -4.165 -6.452 1.00 0.00 C ATOM 682 O VAL A 43 12.661 -5.262 -6.945 1.00 0.00 O ATOM 683 CB VAL A 43 11.391 -2.395 -7.473 1.00 0.00 C ATOM 684 CG1 VAL A 43 11.294 -3.332 -8.679 1.00 0.00 C ATOM 685 CG2 VAL A 43 10.076 -1.628 -7.318 1.00 0.00 C ATOM 0 H VAL A 43 12.286 -1.364 -5.355 1.00 0.00 H new ATOM 0 HA VAL A 43 10.765 -3.794 -5.960 1.00 0.00 H new ATOM 0 HB VAL A 43 12.209 -1.690 -7.625 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.107 -2.747 -9.580 1.00 0.00 H new ATOM 0 HG12 VAL A 43 12.230 -3.880 -8.790 1.00 0.00 H new ATOM 0 HG13 VAL A 43 10.477 -4.037 -8.527 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.888 -1.043 -8.218 1.00 0.00 H new ATOM 0 HG22 VAL A 43 9.259 -2.333 -7.166 1.00 0.00 H new ATOM 0 HG23 VAL A 43 10.143 -0.960 -6.459 1.00 0.00 H new ATOM 695 N THR A 44 14.019 -3.751 -6.110 1.00 0.00 N ATOM 696 CA THR A 44 15.202 -4.631 -6.322 1.00 0.00 C ATOM 697 C THR A 44 15.424 -5.495 -5.078 1.00 0.00 C ATOM 698 O THR A 44 16.013 -6.556 -5.145 1.00 0.00 O ATOM 699 CB THR A 44 16.441 -3.769 -6.572 1.00 0.00 C ATOM 700 OG1 THR A 44 16.220 -2.944 -7.708 1.00 0.00 O ATOM 701 CG2 THR A 44 17.651 -4.670 -6.821 1.00 0.00 C ATOM 0 H THR A 44 14.222 -2.842 -5.693 1.00 0.00 H new ATOM 0 HA THR A 44 15.027 -5.274 -7.185 1.00 0.00 H new ATOM 0 HB THR A 44 16.631 -3.144 -5.699 1.00 0.00 H new ATOM 0 HG1 THR A 44 15.554 -2.259 -7.490 1.00 0.00 H new ATOM 0 HG21 THR A 44 18.533 -4.054 -6.999 1.00 0.00 H new ATOM 0 HG22 THR A 44 17.820 -5.302 -5.949 1.00 0.00 H new ATOM 0 HG23 THR A 44 17.464 -5.297 -7.693 1.00 0.00 H new ATOM 709 N LYS A 45 14.959 -5.050 -3.943 1.00 0.00 N ATOM 710 CA LYS A 45 15.145 -5.845 -2.697 1.00 0.00 C ATOM 711 C LYS A 45 13.961 -6.796 -2.515 1.00 0.00 C ATOM 712 O LYS A 45 14.079 -7.841 -1.908 1.00 0.00 O ATOM 713 CB LYS A 45 15.230 -4.901 -1.497 1.00 0.00 C ATOM 714 CG LYS A 45 16.690 -4.510 -1.256 1.00 0.00 C ATOM 715 CD LYS A 45 16.758 -3.063 -0.765 1.00 0.00 C ATOM 716 CE LYS A 45 16.401 -3.011 0.722 1.00 0.00 C ATOM 717 NZ LYS A 45 17.236 -1.978 1.397 1.00 0.00 N ATOM 0 H LYS A 45 14.458 -4.169 -3.825 1.00 0.00 H new ATOM 0 HA LYS A 45 16.066 -6.423 -2.771 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.629 -4.010 -1.679 1.00 0.00 H new ATOM 0 HB3 LYS A 45 14.821 -5.385 -0.610 1.00 0.00 H new ATOM 0 HG2 LYS A 45 17.139 -5.176 -0.519 1.00 0.00 H new ATOM 0 HG3 LYS A 45 17.263 -4.620 -2.176 1.00 0.00 H new ATOM 0 HD2 LYS A 45 17.758 -2.661 -0.924 1.00 0.00 H new ATOM 0 HD3 LYS A 45 16.070 -2.441 -1.337 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.344 -2.777 0.845 1.00 0.00 H new ATOM 0 HE3 LYS A 45 16.567 -3.985 1.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 16.994 -1.942 2.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 18.242 -2.220 1.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 17.056 -1.049 0.965 1.00 0.00 H new ATOM 731 N GLU A 46 12.818 -6.442 -3.036 1.00 0.00 N ATOM 732 CA GLU A 46 11.627 -7.327 -2.890 1.00 0.00 C ATOM 733 C GLU A 46 11.136 -7.755 -4.274 1.00 0.00 C ATOM 734 O GLU A 46 10.656 -8.856 -4.459 1.00 0.00 O ATOM 735 CB GLU A 46 10.513 -6.567 -2.167 1.00 0.00 C ATOM 736 CG GLU A 46 11.100 -5.816 -0.970 1.00 0.00 C ATOM 737 CD GLU A 46 11.565 -6.822 0.085 1.00 0.00 C ATOM 738 OE1 GLU A 46 11.118 -7.956 0.032 1.00 0.00 O ATOM 739 OE2 GLU A 46 12.360 -6.441 0.928 1.00 0.00 O ATOM 0 H GLU A 46 12.657 -5.579 -3.556 1.00 0.00 H new ATOM 0 HA GLU A 46 11.900 -8.210 -2.312 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.034 -5.866 -2.850 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.743 -7.262 -1.832 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.937 -5.196 -1.291 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.352 -5.146 -0.545 1.00 0.00 H new ATOM 746 N ARG A 47 11.251 -6.896 -5.249 1.00 0.00 N ATOM 747 CA ARG A 47 10.790 -7.255 -6.619 1.00 0.00 C ATOM 748 C ARG A 47 9.303 -7.621 -6.578 1.00 0.00 C ATOM 749 O ARG A 47 8.944 -8.771 -6.728 1.00 0.00 O ATOM 750 CB ARG A 47 11.596 -8.453 -7.130 1.00 0.00 C ATOM 751 CG ARG A 47 13.055 -8.040 -7.326 1.00 0.00 C ATOM 752 CD ARG A 47 13.965 -9.243 -7.074 1.00 0.00 C ATOM 753 NE ARG A 47 14.084 -9.477 -5.608 1.00 0.00 N ATOM 754 CZ ARG A 47 15.057 -10.211 -5.137 1.00 0.00 C ATOM 755 NH1 ARG A 47 15.932 -10.742 -5.949 1.00 0.00 N ATOM 756 NH2 ARG A 47 15.157 -10.413 -3.852 1.00 0.00 N ATOM 0 H ARG A 47 11.645 -5.960 -5.156 1.00 0.00 H new ATOM 0 HA ARG A 47 10.937 -6.406 -7.286 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.533 -9.277 -6.419 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.179 -8.811 -8.071 1.00 0.00 H new ATOM 0 HG2 ARG A 47 13.204 -7.663 -8.338 1.00 0.00 H new ATOM 0 HG3 ARG A 47 13.309 -7.229 -6.643 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.559 -10.129 -7.563 1.00 0.00 H new ATOM 0 HD3 ARG A 47 14.950 -9.064 -7.506 1.00 0.00 H new ATOM 0 HE ARG A 47 13.404 -9.063 -4.970 1.00 0.00 H new ATOM 0 HH11 ARG A 47 15.857 -10.584 -6.954 1.00 0.00 H new ATOM 0 HH12 ARG A 47 16.690 -11.314 -5.578 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.476 -9.998 -3.216 1.00 0.00 H new ATOM 0 HH22 ARG A 47 15.916 -10.986 -3.483 1.00 0.00 H new ATOM 770 N PRO A 48 8.482 -6.622 -6.375 1.00 0.00 N ATOM 771 CA PRO A 48 7.020 -6.797 -6.306 1.00 0.00 C ATOM 772 C PRO A 48 6.435 -6.944 -7.713 1.00 0.00 C ATOM 773 O PRO A 48 7.025 -6.526 -8.689 1.00 0.00 O ATOM 774 CB PRO A 48 6.536 -5.504 -5.645 1.00 0.00 C ATOM 775 CG PRO A 48 7.640 -4.448 -5.887 1.00 0.00 C ATOM 776 CD PRO A 48 8.934 -5.227 -6.194 1.00 0.00 C ATOM 0 HA PRO A 48 6.718 -7.689 -5.757 1.00 0.00 H new ATOM 0 HB2 PRO A 48 5.588 -5.180 -6.075 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.368 -5.653 -4.578 1.00 0.00 H new ATOM 0 HG2 PRO A 48 7.375 -3.794 -6.718 1.00 0.00 H new ATOM 0 HG3 PRO A 48 7.768 -3.814 -5.010 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.424 -4.848 -7.091 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.652 -5.144 -5.378 1.00 0.00 H new ATOM 784 N ASP A 49 5.277 -7.535 -7.825 1.00 0.00 N ATOM 785 CA ASP A 49 4.656 -7.708 -9.168 1.00 0.00 C ATOM 786 C ASP A 49 3.701 -6.545 -9.443 1.00 0.00 C ATOM 787 O ASP A 49 3.212 -6.378 -10.542 1.00 0.00 O ATOM 788 CB ASP A 49 3.877 -9.026 -9.204 1.00 0.00 C ATOM 789 CG ASP A 49 4.462 -9.936 -10.285 1.00 0.00 C ATOM 790 OD1 ASP A 49 5.004 -9.411 -11.244 1.00 0.00 O ATOM 791 OD2 ASP A 49 4.360 -11.142 -10.135 1.00 0.00 O ATOM 0 H ASP A 49 4.734 -7.905 -7.045 1.00 0.00 H new ATOM 0 HA ASP A 49 5.436 -7.725 -9.929 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.929 -9.518 -8.233 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.824 -8.833 -9.408 1.00 0.00 H new ATOM 796 N LEU A 50 3.432 -5.738 -8.452 1.00 0.00 N ATOM 797 CA LEU A 50 2.509 -4.587 -8.661 1.00 0.00 C ATOM 798 C LEU A 50 3.222 -3.286 -8.287 1.00 0.00 C ATOM 799 O LEU A 50 3.566 -3.060 -7.143 1.00 0.00 O ATOM 800 CB LEU A 50 1.270 -4.761 -7.779 1.00 0.00 C ATOM 801 CG LEU A 50 0.098 -3.992 -8.389 1.00 0.00 C ATOM 802 CD1 LEU A 50 -0.520 -4.816 -9.520 1.00 0.00 C ATOM 803 CD2 LEU A 50 -0.958 -3.734 -7.312 1.00 0.00 C ATOM 0 H LEU A 50 3.811 -5.826 -7.509 1.00 0.00 H new ATOM 0 HA LEU A 50 2.208 -4.548 -9.708 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.019 -5.818 -7.691 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.473 -4.397 -6.772 1.00 0.00 H new ATOM 0 HG LEU A 50 0.455 -3.041 -8.785 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.356 -4.268 -9.955 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.231 -5.001 -10.288 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.877 -5.767 -9.124 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.794 -3.186 -7.746 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.314 -4.685 -6.916 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.519 -3.147 -6.505 1.00 0.00 H new ATOM 815 N VAL A 51 3.446 -2.427 -9.244 1.00 0.00 N ATOM 816 CA VAL A 51 4.136 -1.141 -8.944 1.00 0.00 C ATOM 817 C VAL A 51 3.230 0.027 -9.338 1.00 0.00 C ATOM 818 O VAL A 51 2.977 0.263 -10.503 1.00 0.00 O ATOM 819 CB VAL A 51 5.442 -1.064 -9.736 1.00 0.00 C ATOM 820 CG1 VAL A 51 6.432 -0.155 -9.005 1.00 0.00 C ATOM 821 CG2 VAL A 51 6.041 -2.465 -9.870 1.00 0.00 C ATOM 0 H VAL A 51 3.181 -2.560 -10.220 1.00 0.00 H new ATOM 0 HA VAL A 51 4.356 -1.087 -7.878 1.00 0.00 H new ATOM 0 HB VAL A 51 5.240 -0.658 -10.727 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.362 -0.101 -9.570 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.007 0.844 -8.910 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.633 -0.560 -8.013 1.00 0.00 H new ATOM 0 HG21 VAL A 51 6.972 -2.410 -10.434 1.00 0.00 H new ATOM 0 HG22 VAL A 51 6.241 -2.871 -8.879 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.337 -3.113 -10.393 1.00 0.00 H new ATOM 831 N LEU A 52 2.740 0.759 -8.377 1.00 0.00 N ATOM 832 CA LEU A 52 1.849 1.912 -8.696 1.00 0.00 C ATOM 833 C LEU A 52 2.695 3.172 -8.880 1.00 0.00 C ATOM 834 O LEU A 52 3.246 3.705 -7.938 1.00 0.00 O ATOM 835 CB LEU A 52 0.860 2.125 -7.549 1.00 0.00 C ATOM 836 CG LEU A 52 0.189 0.796 -7.200 1.00 0.00 C ATOM 837 CD1 LEU A 52 0.433 0.473 -5.725 1.00 0.00 C ATOM 838 CD2 LEU A 52 -1.315 0.902 -7.456 1.00 0.00 C ATOM 0 H LEU A 52 2.917 0.610 -7.384 1.00 0.00 H new ATOM 0 HA LEU A 52 1.300 1.705 -9.615 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.379 2.523 -6.677 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.108 2.860 -7.835 1.00 0.00 H new ATOM 0 HG LEU A 52 0.609 0.004 -7.820 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.045 -0.474 -5.476 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.505 0.398 -5.542 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.014 1.265 -5.105 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.794 -0.045 -7.207 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.735 1.695 -6.836 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.490 1.132 -8.507 1.00 0.00 H new ATOM 850 N LEU A 53 2.803 3.655 -10.089 1.00 0.00 N ATOM 851 CA LEU A 53 3.612 4.881 -10.331 1.00 0.00 C ATOM 852 C LEU A 53 2.696 6.107 -10.323 1.00 0.00 C ATOM 853 O LEU A 53 1.626 6.097 -10.898 1.00 0.00 O ATOM 854 CB LEU A 53 4.310 4.775 -11.689 1.00 0.00 C ATOM 855 CG LEU A 53 5.367 3.668 -11.637 1.00 0.00 C ATOM 856 CD1 LEU A 53 6.214 3.823 -10.373 1.00 0.00 C ATOM 857 CD2 LEU A 53 4.675 2.304 -11.621 1.00 0.00 C ATOM 0 H LEU A 53 2.366 3.253 -10.918 1.00 0.00 H new ATOM 0 HA LEU A 53 4.361 4.981 -9.545 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.580 4.558 -12.469 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.777 5.726 -11.945 1.00 0.00 H new ATOM 0 HG LEU A 53 6.010 3.742 -12.514 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.965 3.034 -10.339 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.709 4.794 -10.383 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.573 3.752 -9.494 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.426 1.515 -11.584 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.031 2.233 -10.745 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.074 2.190 -12.523 1.00 0.00 H new ATOM 869 N ASP A 54 3.108 7.162 -9.676 1.00 0.00 N ATOM 870 CA ASP A 54 2.261 8.386 -9.631 1.00 0.00 C ATOM 871 C ASP A 54 2.960 9.517 -10.387 1.00 0.00 C ATOM 872 O ASP A 54 4.035 9.951 -10.021 1.00 0.00 O ATOM 873 CB ASP A 54 2.044 8.804 -8.175 1.00 0.00 C ATOM 874 CG ASP A 54 0.817 9.713 -8.081 1.00 0.00 C ATOM 875 OD1 ASP A 54 0.208 9.960 -9.108 1.00 0.00 O ATOM 876 OD2 ASP A 54 0.508 10.146 -6.983 1.00 0.00 O ATOM 0 H ASP A 54 3.995 7.229 -9.177 1.00 0.00 H new ATOM 0 HA ASP A 54 1.297 8.178 -10.096 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.905 7.922 -7.550 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.925 9.325 -7.800 1.00 0.00 H new ATOM 881 N MET A 55 2.359 10.001 -11.439 1.00 0.00 N ATOM 882 CA MET A 55 2.990 11.104 -12.217 1.00 0.00 C ATOM 883 C MET A 55 2.791 12.430 -11.477 1.00 0.00 C ATOM 884 O MET A 55 3.342 13.446 -11.848 1.00 0.00 O ATOM 885 CB MET A 55 2.340 11.190 -13.599 1.00 0.00 C ATOM 886 CG MET A 55 2.586 9.887 -14.363 1.00 0.00 C ATOM 887 SD MET A 55 4.367 9.606 -14.516 1.00 0.00 S ATOM 888 CE MET A 55 4.305 7.799 -14.598 1.00 0.00 C ATOM 0 H MET A 55 1.458 9.680 -11.793 1.00 0.00 H new ATOM 0 HA MET A 55 4.056 10.906 -12.328 1.00 0.00 H new ATOM 0 HB2 MET A 55 1.269 11.368 -13.498 1.00 0.00 H new ATOM 0 HB3 MET A 55 2.752 12.033 -14.154 1.00 0.00 H new ATOM 0 HG2 MET A 55 2.119 9.052 -13.840 1.00 0.00 H new ATOM 0 HG3 MET A 55 2.129 9.940 -15.351 1.00 0.00 H new ATOM 0 HE1 MET A 55 5.316 7.404 -14.696 1.00 0.00 H new ATOM 0 HE2 MET A 55 3.850 7.409 -13.688 1.00 0.00 H new ATOM 0 HE3 MET A 55 3.711 7.494 -15.460 1.00 0.00 H new ATOM 898 N LYS A 56 2.006 12.426 -10.433 1.00 0.00 N ATOM 899 CA LYS A 56 1.773 13.685 -9.673 1.00 0.00 C ATOM 900 C LYS A 56 3.060 14.093 -8.952 1.00 0.00 C ATOM 901 O LYS A 56 3.203 15.212 -8.502 1.00 0.00 O ATOM 902 CB LYS A 56 0.662 13.462 -8.645 1.00 0.00 C ATOM 903 CG LYS A 56 -0.555 12.842 -9.335 1.00 0.00 C ATOM 904 CD LYS A 56 -1.440 12.157 -8.292 1.00 0.00 C ATOM 905 CE LYS A 56 -2.646 13.045 -7.983 1.00 0.00 C ATOM 906 NZ LYS A 56 -2.183 14.300 -7.325 1.00 0.00 N ATOM 0 H LYS A 56 1.517 11.605 -10.075 1.00 0.00 H new ATOM 0 HA LYS A 56 1.477 14.475 -10.363 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.015 12.807 -7.849 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.387 14.409 -8.180 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.121 13.613 -9.858 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.232 12.119 -10.085 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.774 11.188 -8.663 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.870 11.970 -7.382 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.183 13.280 -8.902 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.343 12.517 -7.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.999 14.800 -6.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.508 14.067 -6.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.718 14.910 -8.028 1.00 0.00 H new ATOM 920 N ILE A 57 3.998 13.192 -8.838 1.00 0.00 N ATOM 921 CA ILE A 57 5.275 13.529 -8.148 1.00 0.00 C ATOM 922 C ILE A 57 5.755 14.911 -8.612 1.00 0.00 C ATOM 923 O ILE A 57 6.101 15.083 -9.764 1.00 0.00 O ATOM 924 CB ILE A 57 6.330 12.478 -8.499 1.00 0.00 C ATOM 925 CG1 ILE A 57 5.893 11.117 -7.953 1.00 0.00 C ATOM 926 CG2 ILE A 57 7.671 12.870 -7.873 1.00 0.00 C ATOM 927 CD1 ILE A 57 6.901 10.047 -8.376 1.00 0.00 C ATOM 0 H ILE A 57 3.935 12.238 -9.193 1.00 0.00 H new ATOM 0 HA ILE A 57 5.117 13.543 -7.070 1.00 0.00 H new ATOM 0 HB ILE A 57 6.438 12.420 -9.582 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.823 11.155 -6.866 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.901 10.865 -8.328 1.00 0.00 H new ATOM 0 HG21 ILE A 57 8.422 12.121 -8.123 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.983 13.840 -8.259 1.00 0.00 H new ATOM 0 HG23 ILE A 57 7.564 12.928 -6.790 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.588 9.078 -7.986 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.949 10.002 -9.464 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.885 10.297 -7.979 1.00 0.00 H new ATOM 939 N PRO A 58 5.761 15.857 -7.704 1.00 0.00 N ATOM 940 CA PRO A 58 6.193 17.234 -8.003 1.00 0.00 C ATOM 941 C PRO A 58 7.722 17.322 -8.034 1.00 0.00 C ATOM 942 O PRO A 58 8.289 18.390 -8.158 1.00 0.00 O ATOM 943 CB PRO A 58 5.624 18.049 -6.837 1.00 0.00 C ATOM 944 CG PRO A 58 5.404 17.053 -5.675 1.00 0.00 C ATOM 945 CD PRO A 58 5.343 15.648 -6.303 1.00 0.00 C ATOM 0 HA PRO A 58 5.849 17.589 -8.975 1.00 0.00 H new ATOM 0 HB2 PRO A 58 6.313 18.841 -6.544 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.687 18.529 -7.119 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.216 17.118 -4.950 1.00 0.00 H new ATOM 0 HG3 PRO A 58 4.481 17.279 -5.141 1.00 0.00 H new ATOM 0 HD2 PRO A 58 6.007 14.953 -5.789 1.00 0.00 H new ATOM 0 HD3 PRO A 58 4.338 15.230 -6.246 1.00 0.00 H new ATOM 953 N GLY A 59 8.393 16.209 -7.924 1.00 0.00 N ATOM 954 CA GLY A 59 9.883 16.231 -7.948 1.00 0.00 C ATOM 955 C GLY A 59 10.375 16.035 -9.384 1.00 0.00 C ATOM 956 O GLY A 59 11.273 16.713 -9.840 1.00 0.00 O ATOM 0 H GLY A 59 7.974 15.285 -7.819 1.00 0.00 H new ATOM 0 HA2 GLY A 59 10.249 17.179 -7.553 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.279 15.444 -7.306 1.00 0.00 H new ATOM 960 N MET A 60 9.793 15.111 -10.099 1.00 0.00 N ATOM 961 CA MET A 60 10.229 14.872 -11.504 1.00 0.00 C ATOM 962 C MET A 60 9.234 13.937 -12.194 1.00 0.00 C ATOM 963 O MET A 60 8.189 13.624 -11.661 1.00 0.00 O ATOM 964 CB MET A 60 11.618 14.230 -11.504 1.00 0.00 C ATOM 965 CG MET A 60 11.654 13.091 -10.485 1.00 0.00 C ATOM 966 SD MET A 60 10.924 11.604 -11.217 1.00 0.00 S ATOM 967 CE MET A 60 9.590 11.389 -10.012 1.00 0.00 C ATOM 0 H MET A 60 9.035 14.512 -9.771 1.00 0.00 H new ATOM 0 HA MET A 60 10.267 15.820 -12.040 1.00 0.00 H new ATOM 0 HB2 MET A 60 11.855 13.850 -12.498 1.00 0.00 H new ATOM 0 HB3 MET A 60 12.375 14.975 -11.259 1.00 0.00 H new ATOM 0 HG2 MET A 60 12.682 12.893 -10.181 1.00 0.00 H new ATOM 0 HG3 MET A 60 11.105 13.374 -9.587 1.00 0.00 H new ATOM 0 HE1 MET A 60 8.809 10.762 -10.442 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.984 10.913 -9.114 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.173 12.362 -9.754 1.00 0.00 H new ATOM 977 N ASP A 61 9.551 13.489 -13.378 1.00 0.00 N ATOM 978 CA ASP A 61 8.622 12.575 -14.101 1.00 0.00 C ATOM 979 C ASP A 61 8.947 11.125 -13.735 1.00 0.00 C ATOM 980 O ASP A 61 10.091 10.714 -13.746 1.00 0.00 O ATOM 981 CB ASP A 61 8.787 12.770 -15.610 1.00 0.00 C ATOM 982 CG ASP A 61 8.063 14.046 -16.043 1.00 0.00 C ATOM 983 OD1 ASP A 61 6.939 14.241 -15.608 1.00 0.00 O ATOM 984 OD2 ASP A 61 8.643 14.805 -16.800 1.00 0.00 O ATOM 0 H ASP A 61 10.412 13.716 -13.875 1.00 0.00 H new ATOM 0 HA ASP A 61 7.594 12.800 -13.816 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.845 12.835 -15.865 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.382 11.911 -16.145 1.00 0.00 H new ATOM 989 N GLY A 62 7.951 10.347 -13.411 1.00 0.00 N ATOM 990 CA GLY A 62 8.205 8.925 -13.045 1.00 0.00 C ATOM 991 C GLY A 62 8.281 8.076 -14.315 1.00 0.00 C ATOM 992 O GLY A 62 8.286 6.862 -14.262 1.00 0.00 O ATOM 0 H GLY A 62 6.973 10.634 -13.384 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.136 8.844 -12.484 1.00 0.00 H new ATOM 0 HA3 GLY A 62 7.409 8.558 -12.397 1.00 0.00 H new ATOM 996 N ILE A 63 8.341 8.703 -15.458 1.00 0.00 N ATOM 997 CA ILE A 63 8.417 7.931 -16.729 1.00 0.00 C ATOM 998 C ILE A 63 9.697 7.092 -16.741 1.00 0.00 C ATOM 999 O ILE A 63 9.709 5.968 -17.202 1.00 0.00 O ATOM 1000 CB ILE A 63 8.432 8.899 -17.914 1.00 0.00 C ATOM 1001 CG1 ILE A 63 7.082 9.615 -18.002 1.00 0.00 C ATOM 1002 CG2 ILE A 63 8.680 8.121 -19.207 1.00 0.00 C ATOM 1003 CD1 ILE A 63 6.002 8.619 -18.427 1.00 0.00 C ATOM 0 H ILE A 63 8.341 9.717 -15.566 1.00 0.00 H new ATOM 0 HA ILE A 63 7.551 7.274 -16.807 1.00 0.00 H new ATOM 0 HB ILE A 63 9.226 9.632 -17.774 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.828 10.054 -17.037 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.139 10.434 -18.719 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.691 8.811 -20.051 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.640 7.609 -19.145 1.00 0.00 H new ATOM 0 HG23 ILE A 63 7.886 7.388 -19.348 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.041 9.129 -18.490 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.255 8.201 -19.401 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.939 7.815 -17.693 1.00 0.00 H new ATOM 1015 N GLU A 64 10.774 7.629 -16.237 1.00 0.00 N ATOM 1016 CA GLU A 64 12.050 6.861 -16.220 1.00 0.00 C ATOM 1017 C GLU A 64 11.931 5.694 -15.237 1.00 0.00 C ATOM 1018 O GLU A 64 12.606 4.691 -15.364 1.00 0.00 O ATOM 1019 CB GLU A 64 13.193 7.781 -15.783 1.00 0.00 C ATOM 1020 CG GLU A 64 13.202 9.035 -16.659 1.00 0.00 C ATOM 1021 CD GLU A 64 13.550 8.651 -18.099 1.00 0.00 C ATOM 1022 OE1 GLU A 64 14.410 7.802 -18.273 1.00 0.00 O ATOM 1023 OE2 GLU A 64 12.951 9.211 -19.001 1.00 0.00 O ATOM 0 H GLU A 64 10.825 8.566 -15.837 1.00 0.00 H new ATOM 0 HA GLU A 64 12.255 6.475 -17.219 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.072 8.057 -14.736 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.146 7.259 -15.867 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.227 9.521 -16.627 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.928 9.753 -16.277 1.00 0.00 H new ATOM 1030 N ILE A 65 11.079 5.815 -14.257 1.00 0.00 N ATOM 1031 CA ILE A 65 10.917 4.713 -13.269 1.00 0.00 C ATOM 1032 C ILE A 65 10.279 3.504 -13.953 1.00 0.00 C ATOM 1033 O ILE A 65 10.884 2.458 -14.079 1.00 0.00 O ATOM 1034 CB ILE A 65 10.021 5.183 -12.122 1.00 0.00 C ATOM 1035 CG1 ILE A 65 10.628 6.433 -11.481 1.00 0.00 C ATOM 1036 CG2 ILE A 65 9.910 4.076 -11.072 1.00 0.00 C ATOM 1037 CD1 ILE A 65 9.606 7.070 -10.536 1.00 0.00 C ATOM 0 H ILE A 65 10.487 6.631 -14.098 1.00 0.00 H new ATOM 0 HA ILE A 65 11.894 4.433 -12.875 1.00 0.00 H new ATOM 0 HB ILE A 65 9.029 5.416 -12.509 1.00 0.00 H new ATOM 0 HG12 ILE A 65 11.532 6.170 -10.932 1.00 0.00 H new ATOM 0 HG13 ILE A 65 10.919 7.146 -12.253 1.00 0.00 H new ATOM 0 HG21 ILE A 65 9.271 4.412 -10.255 1.00 0.00 H new ATOM 0 HG22 ILE A 65 9.478 3.185 -11.527 1.00 0.00 H new ATOM 0 HG23 ILE A 65 10.901 3.841 -10.684 1.00 0.00 H new ATOM 0 HD11 ILE A 65 10.038 7.960 -10.079 1.00 0.00 H new ATOM 0 HD12 ILE A 65 8.714 7.347 -11.098 1.00 0.00 H new ATOM 0 HD13 ILE A 65 9.337 6.357 -9.757 1.00 0.00 H new ATOM 1049 N LEU A 66 9.059 3.638 -14.398 1.00 0.00 N ATOM 1050 CA LEU A 66 8.384 2.495 -15.075 1.00 0.00 C ATOM 1051 C LEU A 66 9.355 1.836 -16.056 1.00 0.00 C ATOM 1052 O LEU A 66 9.338 0.637 -16.251 1.00 0.00 O ATOM 1053 CB LEU A 66 7.158 3.007 -15.837 1.00 0.00 C ATOM 1054 CG LEU A 66 5.886 2.492 -15.162 1.00 0.00 C ATOM 1055 CD1 LEU A 66 4.672 2.845 -16.024 1.00 0.00 C ATOM 1056 CD2 LEU A 66 5.972 0.973 -15.003 1.00 0.00 C ATOM 0 H LEU A 66 8.501 4.489 -14.322 1.00 0.00 H new ATOM 0 HA LEU A 66 8.071 1.764 -14.329 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.157 4.097 -15.855 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.194 2.671 -16.873 1.00 0.00 H new ATOM 0 HG LEU A 66 5.783 2.956 -14.181 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.765 2.478 -15.543 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.609 3.927 -16.139 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.775 2.382 -17.005 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.066 0.606 -14.522 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.075 0.510 -15.984 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.837 0.720 -14.389 1.00 0.00 H new ATOM 1068 N LYS A 67 10.205 2.610 -16.673 1.00 0.00 N ATOM 1069 CA LYS A 67 11.177 2.027 -17.641 1.00 0.00 C ATOM 1070 C LYS A 67 12.126 1.080 -16.903 1.00 0.00 C ATOM 1071 O LYS A 67 12.206 -0.093 -17.207 1.00 0.00 O ATOM 1072 CB LYS A 67 11.984 3.152 -18.293 1.00 0.00 C ATOM 1073 CG LYS A 67 11.392 3.478 -19.666 1.00 0.00 C ATOM 1074 CD LYS A 67 12.387 3.082 -20.759 1.00 0.00 C ATOM 1075 CE LYS A 67 12.691 4.298 -21.636 1.00 0.00 C ATOM 1076 NZ LYS A 67 12.687 3.889 -23.069 1.00 0.00 N ATOM 0 H LYS A 67 10.269 3.620 -16.549 1.00 0.00 H new ATOM 0 HA LYS A 67 10.637 1.474 -18.410 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.969 4.039 -17.659 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.027 2.852 -18.397 1.00 0.00 H new ATOM 0 HG2 LYS A 67 10.452 2.944 -19.804 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.167 4.542 -19.733 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.306 2.705 -20.310 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.975 2.276 -21.366 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.948 5.077 -21.467 1.00 0.00 H new ATOM 0 HE3 LYS A 67 13.660 4.719 -21.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.894 4.715 -23.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.412 3.160 -23.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.753 3.507 -23.318 1.00 0.00 H new ATOM 1090 N ARG A 68 12.844 1.581 -15.935 1.00 0.00 N ATOM 1091 CA ARG A 68 13.786 0.708 -15.179 1.00 0.00 C ATOM 1092 C ARG A 68 13.058 -0.561 -14.732 1.00 0.00 C ATOM 1093 O ARG A 68 13.649 -1.615 -14.607 1.00 0.00 O ATOM 1094 CB ARG A 68 14.303 1.460 -13.951 1.00 0.00 C ATOM 1095 CG ARG A 68 15.468 2.365 -14.358 1.00 0.00 C ATOM 1096 CD ARG A 68 16.536 2.345 -13.263 1.00 0.00 C ATOM 1097 NE ARG A 68 17.703 3.166 -13.693 1.00 0.00 N ATOM 1098 CZ ARG A 68 18.772 3.229 -12.945 1.00 0.00 C ATOM 1099 NH1 ARG A 68 18.825 2.574 -11.816 1.00 0.00 N ATOM 1100 NH2 ARG A 68 19.791 3.949 -13.326 1.00 0.00 N ATOM 0 H ARG A 68 12.819 2.556 -15.635 1.00 0.00 H new ATOM 0 HA ARG A 68 14.626 0.438 -15.820 1.00 0.00 H new ATOM 0 HB2 ARG A 68 13.502 2.056 -13.513 1.00 0.00 H new ATOM 0 HB3 ARG A 68 14.628 0.752 -13.188 1.00 0.00 H new ATOM 0 HG2 ARG A 68 15.894 2.025 -15.302 1.00 0.00 H new ATOM 0 HG3 ARG A 68 15.113 3.383 -14.516 1.00 0.00 H new ATOM 0 HD2 ARG A 68 16.125 2.737 -12.332 1.00 0.00 H new ATOM 0 HD3 ARG A 68 16.851 1.320 -13.066 1.00 0.00 H new ATOM 0 HE ARG A 68 17.667 3.680 -14.573 1.00 0.00 H new ATOM 0 HH11 ARG A 68 18.030 2.011 -11.515 1.00 0.00 H new ATOM 0 HH12 ARG A 68 19.662 2.626 -11.235 1.00 0.00 H new ATOM 0 HH21 ARG A 68 19.752 4.462 -14.207 1.00 0.00 H new ATOM 0 HH22 ARG A 68 20.626 3.999 -12.743 1.00 0.00 H new ATOM 1114 N MET A 69 11.779 -0.468 -14.490 1.00 0.00 N ATOM 1115 CA MET A 69 11.015 -1.670 -14.051 1.00 0.00 C ATOM 1116 C MET A 69 10.963 -2.686 -15.193 1.00 0.00 C ATOM 1117 O MET A 69 11.439 -3.797 -15.071 1.00 0.00 O ATOM 1118 CB MET A 69 9.591 -1.258 -13.669 1.00 0.00 C ATOM 1119 CG MET A 69 9.645 -0.097 -12.675 1.00 0.00 C ATOM 1120 SD MET A 69 8.606 -0.482 -11.243 1.00 0.00 S ATOM 1121 CE MET A 69 9.294 0.764 -10.123 1.00 0.00 C ATOM 0 H MET A 69 11.230 0.388 -14.577 1.00 0.00 H new ATOM 0 HA MET A 69 11.507 -2.118 -13.188 1.00 0.00 H new ATOM 0 HB2 MET A 69 9.035 -0.963 -14.559 1.00 0.00 H new ATOM 0 HB3 MET A 69 9.062 -2.103 -13.229 1.00 0.00 H new ATOM 0 HG2 MET A 69 10.673 0.076 -12.356 1.00 0.00 H new ATOM 0 HG3 MET A 69 9.301 0.821 -13.152 1.00 0.00 H new ATOM 0 HE1 MET A 69 9.022 0.520 -9.096 1.00 0.00 H new ATOM 0 HE2 MET A 69 10.380 0.778 -10.217 1.00 0.00 H new ATOM 0 HE3 MET A 69 8.895 1.745 -10.381 1.00 0.00 H new ATOM 1131 N LYS A 70 10.389 -2.315 -16.305 1.00 0.00 N ATOM 1132 CA LYS A 70 10.307 -3.262 -17.453 1.00 0.00 C ATOM 1133 C LYS A 70 11.696 -3.831 -17.744 1.00 0.00 C ATOM 1134 O LYS A 70 11.838 -4.955 -18.184 1.00 0.00 O ATOM 1135 CB LYS A 70 9.791 -2.519 -18.689 1.00 0.00 C ATOM 1136 CG LYS A 70 10.552 -1.203 -18.848 1.00 0.00 C ATOM 1137 CD LYS A 70 10.141 -0.530 -20.159 1.00 0.00 C ATOM 1138 CE LYS A 70 8.773 0.135 -19.985 1.00 0.00 C ATOM 1139 NZ LYS A 70 8.422 0.881 -21.226 1.00 0.00 N ATOM 0 H LYS A 70 9.974 -1.398 -16.468 1.00 0.00 H new ATOM 0 HA LYS A 70 9.625 -4.076 -17.206 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.921 -3.136 -19.578 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.723 -2.324 -18.590 1.00 0.00 H new ATOM 0 HG2 LYS A 70 10.339 -0.544 -18.006 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.626 -1.389 -18.844 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.884 0.213 -20.447 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.100 -1.267 -20.961 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.014 -0.619 -19.774 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.793 0.814 -19.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.552 1.429 -21.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.198 1.528 -21.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.270 0.208 -22.004 1.00 0.00 H new ATOM 1153 N VAL A 71 12.725 -3.065 -17.501 1.00 0.00 N ATOM 1154 CA VAL A 71 14.104 -3.564 -17.764 1.00 0.00 C ATOM 1155 C VAL A 71 14.424 -4.710 -16.803 1.00 0.00 C ATOM 1156 O VAL A 71 14.955 -5.730 -17.192 1.00 0.00 O ATOM 1157 CB VAL A 71 15.106 -2.426 -17.553 1.00 0.00 C ATOM 1158 CG1 VAL A 71 16.527 -2.993 -17.541 1.00 0.00 C ATOM 1159 CG2 VAL A 71 14.971 -1.413 -18.691 1.00 0.00 C ATOM 0 H VAL A 71 12.670 -2.116 -17.132 1.00 0.00 H new ATOM 0 HA VAL A 71 14.171 -3.922 -18.791 1.00 0.00 H new ATOM 0 HB VAL A 71 14.904 -1.934 -16.602 1.00 0.00 H new ATOM 0 HG11 VAL A 71 17.241 -2.183 -17.391 1.00 0.00 H new ATOM 0 HG12 VAL A 71 16.623 -3.716 -16.731 1.00 0.00 H new ATOM 0 HG13 VAL A 71 16.731 -3.484 -18.492 1.00 0.00 H new ATOM 0 HG21 VAL A 71 15.684 -0.602 -18.542 1.00 0.00 H new ATOM 0 HG22 VAL A 71 15.174 -1.905 -19.642 1.00 0.00 H new ATOM 0 HG23 VAL A 71 13.959 -1.009 -18.700 1.00 0.00 H new ATOM 1169 N ILE A 72 14.104 -4.550 -15.547 1.00 0.00 N ATOM 1170 CA ILE A 72 14.389 -5.631 -14.562 1.00 0.00 C ATOM 1171 C ILE A 72 13.459 -6.817 -14.821 1.00 0.00 C ATOM 1172 O ILE A 72 13.893 -7.891 -15.187 1.00 0.00 O ATOM 1173 CB ILE A 72 14.160 -5.103 -13.145 1.00 0.00 C ATOM 1174 CG1 ILE A 72 15.031 -3.866 -12.915 1.00 0.00 C ATOM 1175 CG2 ILE A 72 14.534 -6.185 -12.129 1.00 0.00 C ATOM 1176 CD1 ILE A 72 14.397 -2.987 -11.835 1.00 0.00 C ATOM 0 H ILE A 72 13.658 -3.718 -15.161 1.00 0.00 H new ATOM 0 HA ILE A 72 15.425 -5.953 -14.667 1.00 0.00 H new ATOM 0 HB ILE A 72 13.110 -4.837 -13.022 1.00 0.00 H new ATOM 0 HG12 ILE A 72 16.034 -4.166 -12.612 1.00 0.00 H new ATOM 0 HG13 ILE A 72 15.134 -3.303 -13.843 1.00 0.00 H new ATOM 0 HG21 ILE A 72 14.371 -5.808 -11.119 1.00 0.00 H new ATOM 0 HG22 ILE A 72 13.914 -7.067 -12.292 1.00 0.00 H new ATOM 0 HG23 ILE A 72 15.584 -6.452 -12.251 1.00 0.00 H new ATOM 0 HD11 ILE A 72 15.018 -2.106 -11.672 1.00 0.00 H new ATOM 0 HD12 ILE A 72 13.403 -2.676 -12.156 1.00 0.00 H new ATOM 0 HD13 ILE A 72 14.318 -3.552 -10.906 1.00 0.00 H new ATOM 1188 N ASP A 73 12.180 -6.631 -14.637 1.00 0.00 N ATOM 1189 CA ASP A 73 11.223 -7.749 -14.874 1.00 0.00 C ATOM 1190 C ASP A 73 10.329 -7.409 -16.067 1.00 0.00 C ATOM 1191 O ASP A 73 9.765 -6.336 -16.149 1.00 0.00 O ATOM 1192 CB ASP A 73 10.357 -7.951 -13.628 1.00 0.00 C ATOM 1193 CG ASP A 73 11.060 -8.913 -12.668 1.00 0.00 C ATOM 1194 OD1 ASP A 73 12.057 -9.491 -13.066 1.00 0.00 O ATOM 1195 OD2 ASP A 73 10.589 -9.053 -11.551 1.00 0.00 O ATOM 0 H ASP A 73 11.757 -5.754 -14.333 1.00 0.00 H new ATOM 0 HA ASP A 73 11.777 -8.664 -15.084 1.00 0.00 H new ATOM 0 HB2 ASP A 73 10.180 -6.994 -13.136 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.382 -8.350 -13.910 1.00 0.00 H new ATOM 1200 N GLU A 74 10.194 -8.317 -16.997 1.00 0.00 N ATOM 1201 CA GLU A 74 9.336 -8.045 -18.185 1.00 0.00 C ATOM 1202 C GLU A 74 7.890 -8.431 -17.867 1.00 0.00 C ATOM 1203 O GLU A 74 6.960 -7.953 -18.487 1.00 0.00 O ATOM 1204 CB GLU A 74 9.836 -8.869 -19.374 1.00 0.00 C ATOM 1205 CG GLU A 74 10.617 -7.965 -20.329 1.00 0.00 C ATOM 1206 CD GLU A 74 10.549 -8.540 -21.745 1.00 0.00 C ATOM 1207 OE1 GLU A 74 9.592 -8.239 -22.439 1.00 0.00 O ATOM 1208 OE2 GLU A 74 11.456 -9.269 -22.112 1.00 0.00 O ATOM 0 H GLU A 74 10.641 -9.234 -16.985 1.00 0.00 H new ATOM 0 HA GLU A 74 9.383 -6.985 -18.434 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.472 -9.682 -19.025 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.993 -9.324 -19.895 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.202 -6.957 -20.314 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.655 -7.887 -20.006 1.00 0.00 H new ATOM 1215 N ASN A 75 7.693 -9.293 -16.908 1.00 0.00 N ATOM 1216 CA ASN A 75 6.306 -9.709 -16.554 1.00 0.00 C ATOM 1217 C ASN A 75 5.895 -9.044 -15.239 1.00 0.00 C ATOM 1218 O ASN A 75 5.341 -9.674 -14.360 1.00 0.00 O ATOM 1219 CB ASN A 75 6.255 -11.230 -16.393 1.00 0.00 C ATOM 1220 CG ASN A 75 7.284 -11.667 -15.348 1.00 0.00 C ATOM 1221 OD1 ASN A 75 7.925 -10.843 -14.728 1.00 0.00 O ATOM 1222 ND2 ASN A 75 7.468 -12.940 -15.126 1.00 0.00 N ATOM 0 H ASN A 75 8.432 -9.727 -16.354 1.00 0.00 H new ATOM 0 HA ASN A 75 5.622 -9.404 -17.346 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.256 -11.541 -16.087 1.00 0.00 H new ATOM 0 HB3 ASN A 75 6.462 -11.715 -17.347 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.151 -13.243 -14.431 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.929 -13.632 -15.647 1.00 0.00 H new ATOM 1229 N ILE A 76 6.161 -7.774 -15.098 1.00 0.00 N ATOM 1230 CA ILE A 76 5.784 -7.070 -13.839 1.00 0.00 C ATOM 1231 C ILE A 76 4.545 -6.207 -14.089 1.00 0.00 C ATOM 1232 O ILE A 76 4.502 -5.417 -15.011 1.00 0.00 O ATOM 1233 CB ILE A 76 6.943 -6.178 -13.387 1.00 0.00 C ATOM 1234 CG1 ILE A 76 6.485 -5.302 -12.219 1.00 0.00 C ATOM 1235 CG2 ILE A 76 7.386 -5.287 -14.549 1.00 0.00 C ATOM 1236 CD1 ILE A 76 7.466 -5.451 -11.055 1.00 0.00 C ATOM 0 H ILE A 76 6.622 -7.194 -15.799 1.00 0.00 H new ATOM 0 HA ILE A 76 5.566 -7.804 -13.063 1.00 0.00 H new ATOM 0 HB ILE A 76 7.779 -6.802 -13.069 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.431 -4.259 -12.532 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.483 -5.593 -11.904 1.00 0.00 H new ATOM 0 HG21 ILE A 76 8.211 -4.652 -14.227 1.00 0.00 H new ATOM 0 HG22 ILE A 76 7.712 -5.910 -15.382 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.551 -4.663 -14.868 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.140 -4.827 -10.223 1.00 0.00 H new ATOM 0 HD12 ILE A 76 7.498 -6.493 -10.737 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.460 -5.139 -11.375 1.00 0.00 H new ATOM 1248 N ARG A 77 3.536 -6.353 -13.275 1.00 0.00 N ATOM 1249 CA ARG A 77 2.301 -5.541 -13.467 1.00 0.00 C ATOM 1250 C ARG A 77 2.532 -4.126 -12.931 1.00 0.00 C ATOM 1251 O ARG A 77 3.197 -3.932 -11.933 1.00 0.00 O ATOM 1252 CB ARG A 77 1.140 -6.191 -12.709 1.00 0.00 C ATOM 1253 CG ARG A 77 0.690 -7.453 -13.447 1.00 0.00 C ATOM 1254 CD ARG A 77 1.190 -8.689 -12.697 1.00 0.00 C ATOM 1255 NE ARG A 77 0.774 -9.918 -13.432 1.00 0.00 N ATOM 1256 CZ ARG A 77 0.973 -11.096 -12.904 1.00 0.00 C ATOM 1257 NH1 ARG A 77 1.537 -11.205 -11.731 1.00 0.00 N ATOM 1258 NH2 ARG A 77 0.606 -12.168 -13.551 1.00 0.00 N ATOM 0 H ARG A 77 3.513 -6.999 -12.486 1.00 0.00 H new ATOM 0 HA ARG A 77 2.060 -5.492 -14.529 1.00 0.00 H new ATOM 0 HB2 ARG A 77 1.449 -6.441 -11.694 1.00 0.00 H new ATOM 0 HB3 ARG A 77 0.309 -5.490 -12.625 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.397 -7.475 -13.522 1.00 0.00 H new ATOM 0 HG3 ARG A 77 1.080 -7.450 -14.465 1.00 0.00 H new ATOM 0 HD2 ARG A 77 2.276 -8.657 -12.605 1.00 0.00 H new ATOM 0 HD3 ARG A 77 0.785 -8.703 -11.685 1.00 0.00 H new ATOM 0 HE ARG A 77 0.333 -9.839 -14.348 1.00 0.00 H new ATOM 0 HH11 ARG A 77 1.824 -10.368 -11.223 1.00 0.00 H new ATOM 0 HH12 ARG A 77 1.690 -12.127 -11.323 1.00 0.00 H new ATOM 0 HH21 ARG A 77 0.165 -12.085 -14.467 1.00 0.00 H new ATOM 0 HH22 ARG A 77 0.760 -13.089 -13.141 1.00 0.00 H new ATOM 1272 N VAL A 78 1.988 -3.138 -13.586 1.00 0.00 N ATOM 1273 CA VAL A 78 2.178 -1.738 -13.113 1.00 0.00 C ATOM 1274 C VAL A 78 0.904 -0.931 -13.375 1.00 0.00 C ATOM 1275 O VAL A 78 0.220 -1.136 -14.358 1.00 0.00 O ATOM 1276 CB VAL A 78 3.347 -1.099 -13.863 1.00 0.00 C ATOM 1277 CG1 VAL A 78 3.380 0.403 -13.578 1.00 0.00 C ATOM 1278 CG2 VAL A 78 4.659 -1.734 -13.396 1.00 0.00 C ATOM 0 H VAL A 78 1.421 -3.239 -14.428 1.00 0.00 H new ATOM 0 HA VAL A 78 2.391 -1.744 -12.044 1.00 0.00 H new ATOM 0 HB VAL A 78 3.223 -1.262 -14.934 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.214 0.857 -14.113 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.446 0.857 -13.909 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.504 0.568 -12.508 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.494 -1.279 -13.930 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.781 -1.571 -12.325 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.638 -2.805 -13.600 1.00 0.00 H new ATOM 1288 N ILE A 79 0.579 -0.016 -12.501 1.00 0.00 N ATOM 1289 CA ILE A 79 -0.650 0.802 -12.702 1.00 0.00 C ATOM 1290 C ILE A 79 -0.300 2.285 -12.571 1.00 0.00 C ATOM 1291 O ILE A 79 0.466 2.679 -11.714 1.00 0.00 O ATOM 1292 CB ILE A 79 -1.689 0.428 -11.643 1.00 0.00 C ATOM 1293 CG1 ILE A 79 -1.929 -1.083 -11.677 1.00 0.00 C ATOM 1294 CG2 ILE A 79 -3.001 1.159 -11.935 1.00 0.00 C ATOM 1295 CD1 ILE A 79 -2.397 -1.557 -10.300 1.00 0.00 C ATOM 0 H ILE A 79 1.111 0.199 -11.658 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.057 0.610 -13.695 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.324 0.717 -10.657 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.678 -1.326 -12.431 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.013 -1.601 -11.960 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.741 0.893 -11.181 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.831 2.235 -11.912 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.367 0.870 -12.920 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.568 -2.633 -10.324 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.633 -1.328 -9.557 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -3.324 -1.048 -10.036 1.00 0.00 H new ATOM 1307 N ILE A 80 -0.853 3.113 -13.415 1.00 0.00 N ATOM 1308 CA ILE A 80 -0.549 4.571 -13.338 1.00 0.00 C ATOM 1309 C ILE A 80 -1.719 5.298 -12.672 1.00 0.00 C ATOM 1310 O ILE A 80 -2.863 5.115 -13.037 1.00 0.00 O ATOM 1311 CB ILE A 80 -0.335 5.142 -14.744 1.00 0.00 C ATOM 1312 CG1 ILE A 80 0.032 4.014 -15.718 1.00 0.00 C ATOM 1313 CG2 ILE A 80 0.797 6.171 -14.706 1.00 0.00 C ATOM 1314 CD1 ILE A 80 0.577 4.612 -17.019 1.00 0.00 C ATOM 0 H ILE A 80 -1.502 2.843 -14.154 1.00 0.00 H new ATOM 0 HA ILE A 80 0.360 4.713 -12.753 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.255 5.619 -15.081 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.778 3.359 -15.267 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.845 3.402 -15.927 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.952 6.579 -15.705 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.533 6.977 -14.022 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.714 5.691 -14.364 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.837 3.808 -17.708 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.183 5.248 -17.473 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.465 5.205 -16.803 1.00 0.00 H new ATOM 1326 N MET A 81 -1.442 6.120 -11.698 1.00 0.00 N ATOM 1327 CA MET A 81 -2.542 6.856 -11.012 1.00 0.00 C ATOM 1328 C MET A 81 -2.580 8.301 -11.512 1.00 0.00 C ATOM 1329 O MET A 81 -2.574 9.237 -10.736 1.00 0.00 O ATOM 1330 CB MET A 81 -2.298 6.845 -9.501 1.00 0.00 C ATOM 1331 CG MET A 81 -1.644 5.522 -9.098 1.00 0.00 C ATOM 1332 SD MET A 81 0.083 5.817 -8.643 1.00 0.00 S ATOM 1333 CE MET A 81 -0.174 5.959 -6.858 1.00 0.00 C ATOM 0 H MET A 81 -0.504 6.314 -11.348 1.00 0.00 H new ATOM 0 HA MET A 81 -3.494 6.372 -11.230 1.00 0.00 H new ATOM 0 HB2 MET A 81 -1.657 7.680 -9.220 1.00 0.00 H new ATOM 0 HB3 MET A 81 -3.241 6.974 -8.969 1.00 0.00 H new ATOM 0 HG2 MET A 81 -2.182 5.079 -8.260 1.00 0.00 H new ATOM 0 HG3 MET A 81 -1.698 4.811 -9.923 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.639 5.459 -6.332 1.00 0.00 H new ATOM 0 HE2 MET A 81 -0.195 7.012 -6.576 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.122 5.492 -6.589 1.00 0.00 H new ATOM 1343 N THR A 82 -2.620 8.493 -12.802 1.00 0.00 N ATOM 1344 CA THR A 82 -2.658 9.879 -13.348 1.00 0.00 C ATOM 1345 C THR A 82 -3.152 9.846 -14.796 1.00 0.00 C ATOM 1346 O THR A 82 -2.607 10.502 -15.663 1.00 0.00 O ATOM 1347 CB THR A 82 -1.252 10.483 -13.304 1.00 0.00 C ATOM 1348 OG1 THR A 82 -1.306 11.837 -13.731 1.00 0.00 O ATOM 1349 CG2 THR A 82 -0.327 9.690 -14.229 1.00 0.00 C ATOM 0 H THR A 82 -2.628 7.750 -13.501 1.00 0.00 H new ATOM 0 HA THR A 82 -3.335 10.486 -12.747 1.00 0.00 H new ATOM 0 HB THR A 82 -0.868 10.439 -12.285 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.642 11.877 -14.651 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.674 10.120 -14.198 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.287 8.652 -13.900 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.709 9.733 -15.249 1.00 0.00 H new ATOM 1357 N ALA A 83 -4.177 9.087 -15.067 1.00 0.00 N ATOM 1358 CA ALA A 83 -4.702 9.011 -16.460 1.00 0.00 C ATOM 1359 C ALA A 83 -4.907 10.426 -17.004 1.00 0.00 C ATOM 1360 O ALA A 83 -4.746 10.678 -18.182 1.00 0.00 O ATOM 1361 CB ALA A 83 -6.037 8.264 -16.462 1.00 0.00 C ATOM 0 H ALA A 83 -4.674 8.516 -14.384 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.989 8.479 -17.090 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.421 8.208 -17.481 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.891 7.256 -16.074 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.752 8.795 -15.833 1.00 0.00 H new ATOM 1458 N ILE A 90 2.096 7.946 -21.749 1.00 0.00 N ATOM 1459 CA ILE A 90 1.129 7.037 -21.060 1.00 0.00 C ATOM 1460 C ILE A 90 0.333 6.265 -22.118 1.00 0.00 C ATOM 1461 O ILE A 90 0.299 5.051 -22.119 1.00 0.00 O ATOM 1462 CB ILE A 90 0.188 7.861 -20.144 1.00 0.00 C ATOM 1463 CG1 ILE A 90 -1.212 7.232 -20.085 1.00 0.00 C ATOM 1464 CG2 ILE A 90 0.064 9.293 -20.663 1.00 0.00 C ATOM 1465 CD1 ILE A 90 -2.168 8.185 -19.363 1.00 0.00 C ATOM 0 HA ILE A 90 1.666 6.325 -20.433 1.00 0.00 H new ATOM 0 HB ILE A 90 0.621 7.865 -19.144 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.575 7.030 -21.093 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -1.171 6.276 -19.563 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -0.600 9.860 -20.010 1.00 0.00 H new ATOM 0 HG22 ILE A 90 1.048 9.762 -20.676 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -0.345 9.280 -21.673 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -3.162 7.740 -19.320 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -1.807 8.364 -18.350 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -2.217 9.130 -19.904 1.00 0.00 H new ATOM 1477 N GLN A 91 -0.307 6.959 -23.018 1.00 0.00 N ATOM 1478 CA GLN A 91 -1.098 6.262 -24.071 1.00 0.00 C ATOM 1479 C GLN A 91 -0.282 5.100 -24.638 1.00 0.00 C ATOM 1480 O GLN A 91 -0.806 4.041 -24.923 1.00 0.00 O ATOM 1481 CB GLN A 91 -1.433 7.247 -25.193 1.00 0.00 C ATOM 1482 CG GLN A 91 -2.778 6.872 -25.818 1.00 0.00 C ATOM 1483 CD GLN A 91 -2.560 6.410 -27.260 1.00 0.00 C ATOM 1484 OE1 GLN A 91 -1.751 5.413 -27.497 1.00 0.00 O flip ATOM 1485 NE2 GLN A 91 -3.130 6.961 -28.179 1.00 0.00 N flip ATOM 0 H GLN A 91 -0.317 7.978 -23.070 1.00 0.00 H new ATOM 0 HA GLN A 91 -2.021 5.878 -23.637 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -1.474 8.263 -24.799 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -0.650 7.230 -25.952 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -3.252 6.079 -25.239 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -3.452 7.728 -25.797 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -3.762 7.740 -27.994 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -2.977 6.645 -29.137 1.00 0.00 H new ATOM 1494 N GLU A 92 0.999 5.288 -24.807 1.00 0.00 N ATOM 1495 CA GLU A 92 1.847 4.193 -25.356 1.00 0.00 C ATOM 1496 C GLU A 92 2.346 3.309 -24.211 1.00 0.00 C ATOM 1497 O GLU A 92 2.386 2.099 -24.321 1.00 0.00 O ATOM 1498 CB GLU A 92 3.044 4.798 -26.094 1.00 0.00 C ATOM 1499 CG GLU A 92 3.492 3.849 -27.208 1.00 0.00 C ATOM 1500 CD GLU A 92 5.010 3.938 -27.376 1.00 0.00 C ATOM 1501 OE1 GLU A 92 5.460 4.870 -28.021 1.00 0.00 O ATOM 1502 OE2 GLU A 92 5.695 3.073 -26.855 1.00 0.00 O ATOM 0 H GLU A 92 1.494 6.153 -24.588 1.00 0.00 H new ATOM 0 HA GLU A 92 1.259 3.590 -26.048 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.773 5.767 -26.514 1.00 0.00 H new ATOM 0 HB3 GLU A 92 3.864 4.971 -25.397 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.202 2.826 -26.967 1.00 0.00 H new ATOM 0 HG3 GLU A 92 2.996 4.109 -28.143 1.00 0.00 H new ATOM 1509 N SER A 93 2.727 3.902 -23.113 1.00 0.00 N ATOM 1510 CA SER A 93 3.225 3.094 -21.964 1.00 0.00 C ATOM 1511 C SER A 93 2.197 2.016 -21.614 1.00 0.00 C ATOM 1512 O SER A 93 2.510 1.028 -20.979 1.00 0.00 O ATOM 1513 CB SER A 93 3.440 4.003 -20.754 1.00 0.00 C ATOM 1514 OG SER A 93 4.746 4.560 -20.812 1.00 0.00 O ATOM 0 H SER A 93 2.715 4.911 -22.962 1.00 0.00 H new ATOM 0 HA SER A 93 4.169 2.622 -22.236 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.693 4.797 -20.744 1.00 0.00 H new ATOM 0 HB3 SER A 93 3.315 3.436 -19.832 1.00 0.00 H new ATOM 0 HG SER A 93 4.887 5.145 -20.038 1.00 0.00 H new ATOM 1520 N LYS A 94 0.971 2.196 -22.023 1.00 0.00 N ATOM 1521 CA LYS A 94 -0.074 1.181 -21.713 1.00 0.00 C ATOM 1522 C LYS A 94 0.346 -0.174 -22.284 1.00 0.00 C ATOM 1523 O LYS A 94 0.393 -1.166 -21.584 1.00 0.00 O ATOM 1524 CB LYS A 94 -1.404 1.609 -22.340 1.00 0.00 C ATOM 1525 CG LYS A 94 -2.510 0.651 -21.896 1.00 0.00 C ATOM 1526 CD LYS A 94 -3.759 1.450 -21.523 1.00 0.00 C ATOM 1527 CE LYS A 94 -4.978 0.854 -22.232 1.00 0.00 C ATOM 1528 NZ LYS A 94 -5.996 1.921 -22.448 1.00 0.00 N ATOM 0 H LYS A 94 0.648 3.002 -22.558 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.192 1.099 -20.632 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.649 2.628 -22.039 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.323 1.608 -23.427 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -2.741 -0.051 -22.697 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -2.174 0.062 -21.043 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.907 1.430 -20.443 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -3.634 2.495 -21.808 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -4.681 0.421 -23.187 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.402 0.047 -21.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -6.825 1.518 -22.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.286 2.315 -21.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.588 2.676 -23.035 1.00 0.00 H new ATOM 1542 N GLU A 95 0.652 -0.225 -23.552 1.00 0.00 N ATOM 1543 CA GLU A 95 1.069 -1.517 -24.167 1.00 0.00 C ATOM 1544 C GLU A 95 2.516 -1.826 -23.774 1.00 0.00 C ATOM 1545 O GLU A 95 3.013 -2.911 -24.003 1.00 0.00 O ATOM 1546 CB GLU A 95 0.964 -1.414 -25.690 1.00 0.00 C ATOM 1547 CG GLU A 95 1.758 -0.200 -26.175 1.00 0.00 C ATOM 1548 CD GLU A 95 2.345 -0.493 -27.558 1.00 0.00 C ATOM 1549 OE1 GLU A 95 1.584 -0.506 -28.511 1.00 0.00 O ATOM 1550 OE2 GLU A 95 3.545 -0.698 -27.638 1.00 0.00 O ATOM 0 H GLU A 95 0.631 0.572 -24.188 1.00 0.00 H new ATOM 0 HA GLU A 95 0.418 -2.316 -23.811 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.348 -2.322 -26.154 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -0.080 -1.321 -25.988 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.111 0.676 -26.221 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.557 0.030 -25.470 1.00 0.00 H new ATOM 1557 N LEU A 96 3.195 -0.881 -23.183 1.00 0.00 N ATOM 1558 CA LEU A 96 4.608 -1.122 -22.776 1.00 0.00 C ATOM 1559 C LEU A 96 4.636 -2.005 -21.528 1.00 0.00 C ATOM 1560 O LEU A 96 5.381 -2.962 -21.449 1.00 0.00 O ATOM 1561 CB LEU A 96 5.286 0.215 -22.471 1.00 0.00 C ATOM 1562 CG LEU A 96 5.485 0.996 -23.771 1.00 0.00 C ATOM 1563 CD1 LEU A 96 6.155 2.337 -23.465 1.00 0.00 C ATOM 1564 CD2 LEU A 96 6.374 0.188 -24.718 1.00 0.00 C ATOM 0 H LEU A 96 2.832 0.047 -22.965 1.00 0.00 H new ATOM 0 HA LEU A 96 5.139 -1.622 -23.586 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.677 0.794 -21.777 1.00 0.00 H new ATOM 0 HB3 LEU A 96 6.247 0.045 -21.986 1.00 0.00 H new ATOM 0 HG LEU A 96 4.517 1.173 -24.240 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.296 2.893 -24.392 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.523 2.913 -22.789 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.123 2.161 -22.996 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.517 0.743 -25.645 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.341 0.012 -24.248 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.898 -0.768 -24.937 1.00 0.00 H new ATOM 1576 N GLY A 97 3.830 -1.692 -20.550 1.00 0.00 N ATOM 1577 CA GLY A 97 3.812 -2.515 -19.308 1.00 0.00 C ATOM 1578 C GLY A 97 2.822 -1.911 -18.309 1.00 0.00 C ATOM 1579 O GLY A 97 3.019 -1.971 -17.112 1.00 0.00 O ATOM 0 H GLY A 97 3.184 -0.903 -20.558 1.00 0.00 H new ATOM 0 HA2 GLY A 97 3.528 -3.541 -19.543 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.809 -2.553 -18.870 1.00 0.00 H new ATOM 1583 N ALA A 98 1.759 -1.328 -18.792 1.00 0.00 N ATOM 1584 CA ALA A 98 0.758 -0.722 -17.870 1.00 0.00 C ATOM 1585 C ALA A 98 -0.593 -1.415 -18.056 1.00 0.00 C ATOM 1586 O ALA A 98 -1.136 -1.458 -19.142 1.00 0.00 O ATOM 1587 CB ALA A 98 0.614 0.769 -18.186 1.00 0.00 C ATOM 0 H ALA A 98 1.541 -1.245 -19.785 1.00 0.00 H new ATOM 0 HA ALA A 98 1.090 -0.846 -16.839 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -0.118 1.215 -17.513 1.00 0.00 H new ATOM 0 HB2 ALA A 98 1.576 1.263 -18.054 1.00 0.00 H new ATOM 0 HB3 ALA A 98 0.281 0.892 -19.217 1.00 0.00 H new ATOM 1593 N LEU A 99 -1.140 -1.961 -17.004 1.00 0.00 N ATOM 1594 CA LEU A 99 -2.455 -2.652 -17.123 1.00 0.00 C ATOM 1595 C LEU A 99 -3.582 -1.650 -16.871 1.00 0.00 C ATOM 1596 O LEU A 99 -4.421 -1.418 -17.718 1.00 0.00 O ATOM 1597 CB LEU A 99 -2.536 -3.780 -16.092 1.00 0.00 C ATOM 1598 CG LEU A 99 -1.186 -4.492 -16.003 1.00 0.00 C ATOM 1599 CD1 LEU A 99 -0.634 -4.362 -14.582 1.00 0.00 C ATOM 1600 CD2 LEU A 99 -1.368 -5.973 -16.345 1.00 0.00 C ATOM 0 H LEU A 99 -0.734 -1.958 -16.068 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.556 -3.069 -18.125 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.810 -3.376 -15.117 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.314 -4.489 -16.374 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.488 -4.039 -16.707 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.329 -4.869 -14.518 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -0.506 -3.308 -14.337 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.331 -4.816 -13.878 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.406 -6.482 -16.282 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.065 -6.426 -15.640 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.763 -6.067 -17.357 1.00 0.00 H new ATOM 1612 N THR A 100 -3.610 -1.054 -15.710 1.00 0.00 N ATOM 1613 CA THR A 100 -4.684 -0.069 -15.403 1.00 0.00 C ATOM 1614 C THR A 100 -4.062 1.306 -15.151 1.00 0.00 C ATOM 1615 O THR A 100 -3.047 1.428 -14.495 1.00 0.00 O ATOM 1616 CB THR A 100 -5.449 -0.519 -14.156 1.00 0.00 C ATOM 1617 OG1 THR A 100 -6.211 -1.679 -14.462 1.00 0.00 O ATOM 1618 CG2 THR A 100 -6.381 0.601 -13.693 1.00 0.00 C ATOM 0 H THR A 100 -2.935 -1.207 -14.961 1.00 0.00 H new ATOM 0 HA THR A 100 -5.370 -0.007 -16.248 1.00 0.00 H new ATOM 0 HB THR A 100 -4.741 -0.749 -13.360 1.00 0.00 H new ATOM 0 HG1 THR A 100 -5.626 -2.360 -14.855 1.00 0.00 H new ATOM 0 HG21 THR A 100 -6.925 0.278 -12.805 1.00 0.00 H new ATOM 0 HG22 THR A 100 -5.794 1.488 -13.456 1.00 0.00 H new ATOM 0 HG23 THR A 100 -7.090 0.836 -14.487 1.00 0.00 H new ATOM 1626 N HIS A 101 -4.665 2.341 -15.666 1.00 0.00 N ATOM 1627 CA HIS A 101 -4.111 3.709 -15.455 1.00 0.00 C ATOM 1628 C HIS A 101 -5.146 4.565 -14.721 1.00 0.00 C ATOM 1629 O HIS A 101 -5.905 5.294 -15.328 1.00 0.00 O ATOM 1630 CB HIS A 101 -3.794 4.344 -16.811 1.00 0.00 C ATOM 1631 CG HIS A 101 -3.021 5.616 -16.599 1.00 0.00 C ATOM 1632 ND1 HIS A 101 -1.859 5.900 -17.298 1.00 0.00 N ATOM 1633 CD2 HIS A 101 -3.231 6.689 -15.769 1.00 0.00 C ATOM 1634 CE1 HIS A 101 -1.418 7.101 -16.881 1.00 0.00 C ATOM 1635 NE2 HIS A 101 -2.218 7.626 -15.948 1.00 0.00 N ATOM 0 H HIS A 101 -5.518 2.299 -16.224 1.00 0.00 H new ATOM 0 HA HIS A 101 -3.199 3.648 -14.861 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -3.215 3.652 -17.423 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -4.717 4.552 -17.352 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -1.418 5.307 -18.001 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -4.057 6.791 -15.081 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -0.526 7.582 -17.255 1.00 0.00 H new ATOM 1643 N PHE A 102 -5.185 4.481 -13.419 1.00 0.00 N ATOM 1644 CA PHE A 102 -6.174 5.288 -12.650 1.00 0.00 C ATOM 1645 C PHE A 102 -5.750 6.758 -12.654 1.00 0.00 C ATOM 1646 O PHE A 102 -4.598 7.082 -12.863 1.00 0.00 O ATOM 1647 CB PHE A 102 -6.235 4.780 -11.208 1.00 0.00 C ATOM 1648 CG PHE A 102 -7.042 3.504 -11.158 1.00 0.00 C ATOM 1649 CD1 PHE A 102 -8.338 3.477 -11.687 1.00 0.00 C ATOM 1650 CD2 PHE A 102 -6.496 2.352 -10.583 1.00 0.00 C ATOM 1651 CE1 PHE A 102 -9.088 2.294 -11.640 1.00 0.00 C ATOM 1652 CE2 PHE A 102 -7.244 1.169 -10.536 1.00 0.00 C ATOM 1653 CZ PHE A 102 -8.540 1.142 -11.065 1.00 0.00 C ATOM 0 H PHE A 102 -4.575 3.889 -12.855 1.00 0.00 H new ATOM 0 HA PHE A 102 -7.157 5.193 -13.112 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -5.228 4.601 -10.831 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -6.687 5.534 -10.564 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -8.759 4.367 -12.131 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -5.496 2.375 -10.175 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -10.088 2.272 -12.047 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -6.822 0.279 -10.093 1.00 0.00 H new ATOM 0 HZ PHE A 102 -9.118 0.230 -11.029 1.00 0.00 H new ATOM 1663 N ALA A 103 -6.673 7.651 -12.424 1.00 0.00 N ATOM 1664 CA ALA A 103 -6.325 9.100 -12.413 1.00 0.00 C ATOM 1665 C ALA A 103 -6.818 9.730 -11.110 1.00 0.00 C ATOM 1666 O ALA A 103 -6.870 9.088 -10.080 1.00 0.00 O ATOM 1667 CB ALA A 103 -6.995 9.793 -13.602 1.00 0.00 C ATOM 0 H ALA A 103 -7.654 7.440 -12.243 1.00 0.00 H new ATOM 0 HA ALA A 103 -5.244 9.217 -12.487 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -6.741 10.853 -13.595 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -6.645 9.342 -14.531 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.076 9.678 -13.528 1.00 0.00 H new ATOM 1673 N LYS A 104 -7.181 10.983 -11.146 1.00 0.00 N ATOM 1674 CA LYS A 104 -7.671 11.650 -9.907 1.00 0.00 C ATOM 1675 C LYS A 104 -9.021 12.323 -10.191 1.00 0.00 C ATOM 1676 O LYS A 104 -9.162 13.023 -11.173 1.00 0.00 O ATOM 1677 CB LYS A 104 -6.659 12.709 -9.464 1.00 0.00 C ATOM 1678 CG LYS A 104 -7.258 13.548 -8.333 1.00 0.00 C ATOM 1679 CD LYS A 104 -6.360 13.455 -7.098 1.00 0.00 C ATOM 1680 CE LYS A 104 -7.212 13.601 -5.836 1.00 0.00 C ATOM 1681 NZ LYS A 104 -7.703 15.004 -5.727 1.00 0.00 N ATOM 0 H LYS A 104 -7.160 11.573 -11.978 1.00 0.00 H new ATOM 0 HA LYS A 104 -7.791 10.908 -9.117 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -5.739 12.230 -9.128 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -6.395 13.350 -10.306 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -7.354 14.587 -8.648 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -8.261 13.193 -8.094 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -5.836 12.499 -7.087 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -5.599 14.235 -7.129 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -8.055 12.911 -5.872 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -6.624 13.341 -4.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -8.196 15.130 -4.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -6.897 15.659 -5.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -8.360 15.204 -6.508 1.00 0.00 H new ATOM 1695 N PRO A 105 -9.975 12.092 -9.322 1.00 0.00 N ATOM 1696 CA PRO A 105 -9.802 11.241 -8.130 1.00 0.00 C ATOM 1697 C PRO A 105 -9.854 9.761 -8.520 1.00 0.00 C ATOM 1698 O PRO A 105 -9.701 9.409 -9.673 1.00 0.00 O ATOM 1699 CB PRO A 105 -10.993 11.616 -7.244 1.00 0.00 C ATOM 1700 CG PRO A 105 -12.065 12.214 -8.185 1.00 0.00 C ATOM 1701 CD PRO A 105 -11.328 12.667 -9.459 1.00 0.00 C ATOM 0 HA PRO A 105 -8.844 11.390 -7.631 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -11.379 10.741 -6.722 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -10.698 12.338 -6.482 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -12.829 11.474 -8.422 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -12.572 13.055 -7.711 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -11.826 12.302 -10.357 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -11.293 13.754 -9.533 1.00 0.00 H new ATOM 1709 N PHE A 106 -10.069 8.892 -7.570 1.00 0.00 N ATOM 1710 CA PHE A 106 -10.129 7.439 -7.893 1.00 0.00 C ATOM 1711 C PHE A 106 -10.990 6.720 -6.852 1.00 0.00 C ATOM 1712 O PHE A 106 -11.284 7.252 -5.800 1.00 0.00 O ATOM 1713 CB PHE A 106 -8.715 6.854 -7.876 1.00 0.00 C ATOM 1714 CG PHE A 106 -8.109 7.039 -6.506 1.00 0.00 C ATOM 1715 CD1 PHE A 106 -7.861 8.327 -6.018 1.00 0.00 C ATOM 1716 CD2 PHE A 106 -7.795 5.921 -5.723 1.00 0.00 C ATOM 1717 CE1 PHE A 106 -7.299 8.498 -4.748 1.00 0.00 C ATOM 1718 CE2 PHE A 106 -7.233 6.093 -4.452 1.00 0.00 C ATOM 1719 CZ PHE A 106 -6.985 7.382 -3.964 1.00 0.00 C ATOM 0 H PHE A 106 -10.205 9.125 -6.586 1.00 0.00 H new ATOM 0 HA PHE A 106 -10.567 7.305 -8.882 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -8.745 5.795 -8.132 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -8.098 7.346 -8.628 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -8.103 9.189 -6.622 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -7.986 4.927 -6.099 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -7.107 9.492 -4.372 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -6.991 5.231 -3.848 1.00 0.00 H new ATOM 0 HZ PHE A 106 -6.552 7.515 -2.984 1.00 0.00 H new ATOM 1729 N ASP A 107 -11.395 5.513 -7.137 1.00 0.00 N ATOM 1730 CA ASP A 107 -12.236 4.759 -6.164 1.00 0.00 C ATOM 1731 C ASP A 107 -11.407 3.636 -5.537 1.00 0.00 C ATOM 1732 O ASP A 107 -10.784 2.853 -6.225 1.00 0.00 O ATOM 1733 CB ASP A 107 -13.441 4.158 -6.890 1.00 0.00 C ATOM 1734 CG ASP A 107 -14.521 3.791 -5.870 1.00 0.00 C ATOM 1735 OD1 ASP A 107 -14.678 4.528 -4.911 1.00 0.00 O ATOM 1736 OD2 ASP A 107 -15.173 2.779 -6.067 1.00 0.00 O ATOM 0 H ASP A 107 -11.180 5.016 -8.001 1.00 0.00 H new ATOM 0 HA ASP A 107 -12.583 5.435 -5.383 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -13.836 4.871 -7.613 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -13.138 3.273 -7.449 1.00 0.00 H new ATOM 1741 N ILE A 108 -11.396 3.551 -4.235 1.00 0.00 N ATOM 1742 CA ILE A 108 -10.608 2.479 -3.566 1.00 0.00 C ATOM 1743 C ILE A 108 -11.143 1.112 -3.992 1.00 0.00 C ATOM 1744 O ILE A 108 -10.483 0.102 -3.850 1.00 0.00 O ATOM 1745 CB ILE A 108 -10.731 2.626 -2.049 1.00 0.00 C ATOM 1746 CG1 ILE A 108 -9.958 3.866 -1.594 1.00 0.00 C ATOM 1747 CG2 ILE A 108 -10.151 1.387 -1.366 1.00 0.00 C ATOM 1748 CD1 ILE A 108 -8.539 3.822 -2.163 1.00 0.00 C ATOM 0 H ILE A 108 -11.899 4.178 -3.606 1.00 0.00 H new ATOM 0 HA ILE A 108 -9.560 2.565 -3.854 1.00 0.00 H new ATOM 0 HB ILE A 108 -11.782 2.731 -1.779 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -10.468 4.769 -1.930 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -9.923 3.906 -0.505 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -10.239 1.493 -0.285 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -10.700 0.503 -1.690 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.100 1.281 -1.636 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -7.989 4.706 -1.838 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.031 2.927 -1.805 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -8.584 3.802 -3.252 1.00 0.00 H new ATOM 1760 N ASP A 109 -12.338 1.070 -4.516 1.00 0.00 N ATOM 1761 CA ASP A 109 -12.916 -0.233 -4.951 1.00 0.00 C ATOM 1762 C ASP A 109 -12.308 -0.636 -6.296 1.00 0.00 C ATOM 1763 O ASP A 109 -12.044 -1.795 -6.546 1.00 0.00 O ATOM 1764 CB ASP A 109 -14.433 -0.095 -5.098 1.00 0.00 C ATOM 1765 CG ASP A 109 -15.021 0.476 -3.806 1.00 0.00 C ATOM 1766 OD1 ASP A 109 -14.892 -0.174 -2.782 1.00 0.00 O ATOM 1767 OD2 ASP A 109 -15.590 1.554 -3.864 1.00 0.00 O ATOM 0 H ASP A 109 -12.939 1.882 -4.661 1.00 0.00 H new ATOM 0 HA ASP A 109 -12.691 -0.997 -4.207 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -14.670 0.558 -5.938 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -14.878 -1.066 -5.315 1.00 0.00 H new ATOM 1772 N GLU A 110 -12.083 0.312 -7.164 1.00 0.00 N ATOM 1773 CA GLU A 110 -11.492 -0.017 -8.491 1.00 0.00 C ATOM 1774 C GLU A 110 -10.014 -0.373 -8.316 1.00 0.00 C ATOM 1775 O GLU A 110 -9.435 -1.074 -9.122 1.00 0.00 O ATOM 1776 CB GLU A 110 -11.620 1.191 -9.422 1.00 0.00 C ATOM 1777 CG GLU A 110 -11.889 0.710 -10.849 1.00 0.00 C ATOM 1778 CD GLU A 110 -12.812 1.703 -11.556 1.00 0.00 C ATOM 1779 OE1 GLU A 110 -12.724 2.883 -11.257 1.00 0.00 O ATOM 1780 OE2 GLU A 110 -13.593 1.267 -12.387 1.00 0.00 O ATOM 0 H GLU A 110 -12.283 1.300 -7.011 1.00 0.00 H new ATOM 0 HA GLU A 110 -12.022 -0.865 -8.924 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -12.430 1.838 -9.086 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -10.706 1.784 -9.393 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -10.951 0.617 -11.396 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -12.347 -0.279 -10.831 1.00 0.00 H new ATOM 1787 N ILE A 111 -9.399 0.106 -7.270 1.00 0.00 N ATOM 1788 CA ILE A 111 -7.959 -0.205 -7.046 1.00 0.00 C ATOM 1789 C ILE A 111 -7.827 -1.606 -6.446 1.00 0.00 C ATOM 1790 O ILE A 111 -7.096 -2.439 -6.944 1.00 0.00 O ATOM 1791 CB ILE A 111 -7.360 0.820 -6.082 1.00 0.00 C ATOM 1792 CG1 ILE A 111 -7.756 2.230 -6.528 1.00 0.00 C ATOM 1793 CG2 ILE A 111 -5.836 0.696 -6.084 1.00 0.00 C ATOM 1794 CD1 ILE A 111 -7.004 2.589 -7.811 1.00 0.00 C ATOM 0 H ILE A 111 -9.831 0.699 -6.561 1.00 0.00 H new ATOM 0 HA ILE A 111 -7.427 -0.165 -7.996 1.00 0.00 H new ATOM 0 HB ILE A 111 -7.737 0.635 -5.076 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -8.831 2.281 -6.698 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -7.523 2.950 -5.744 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -5.411 1.427 -5.397 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -5.552 -0.308 -5.768 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -5.457 0.880 -7.089 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -7.286 3.593 -8.129 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -5.930 2.555 -7.625 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -7.259 1.875 -8.594 1.00 0.00 H new ATOM 1806 N ARG A 112 -8.528 -1.874 -5.378 1.00 0.00 N ATOM 1807 CA ARG A 112 -8.442 -3.221 -4.748 1.00 0.00 C ATOM 1808 C ARG A 112 -9.101 -4.255 -5.663 1.00 0.00 C ATOM 1809 O ARG A 112 -8.794 -5.430 -5.611 1.00 0.00 O ATOM 1810 CB ARG A 112 -9.162 -3.200 -3.398 1.00 0.00 C ATOM 1811 CG ARG A 112 -10.644 -2.890 -3.615 1.00 0.00 C ATOM 1812 CD ARG A 112 -11.334 -2.719 -2.261 1.00 0.00 C ATOM 1813 NE ARG A 112 -12.605 -3.498 -2.247 1.00 0.00 N ATOM 1814 CZ ARG A 112 -12.577 -4.796 -2.099 1.00 0.00 C ATOM 1815 NH1 ARG A 112 -11.438 -5.417 -1.961 1.00 0.00 N ATOM 1816 NH2 ARG A 112 -13.694 -5.472 -2.088 1.00 0.00 N ATOM 0 H ARG A 112 -9.157 -1.218 -4.915 1.00 0.00 H new ATOM 0 HA ARG A 112 -7.395 -3.485 -4.597 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -9.050 -4.163 -2.899 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -8.714 -2.450 -2.747 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -10.753 -1.982 -4.208 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -11.116 -3.696 -4.176 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -10.677 -3.060 -1.461 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -11.540 -1.665 -2.077 1.00 0.00 H new ATOM 0 HE ARG A 112 -13.498 -3.017 -2.353 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -10.565 -4.889 -1.968 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -11.420 -6.430 -1.846 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -14.585 -4.987 -2.195 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -13.676 -6.485 -1.973 1.00 0.00 H new ATOM 1830 N ASP A 113 -10.005 -3.828 -6.501 1.00 0.00 N ATOM 1831 CA ASP A 113 -10.683 -4.787 -7.418 1.00 0.00 C ATOM 1832 C ASP A 113 -9.734 -5.162 -8.558 1.00 0.00 C ATOM 1833 O ASP A 113 -9.519 -6.323 -8.842 1.00 0.00 O ATOM 1834 CB ASP A 113 -11.941 -4.136 -7.997 1.00 0.00 C ATOM 1835 CG ASP A 113 -13.075 -4.215 -6.973 1.00 0.00 C ATOM 1836 OD1 ASP A 113 -12.998 -5.062 -6.097 1.00 0.00 O ATOM 1837 OD2 ASP A 113 -14.001 -3.429 -7.082 1.00 0.00 O ATOM 0 H ASP A 113 -10.303 -2.857 -6.590 1.00 0.00 H new ATOM 0 HA ASP A 113 -10.959 -5.685 -6.865 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -11.740 -3.096 -8.253 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -12.233 -4.640 -8.918 1.00 0.00 H new ATOM 1842 N ALA A 114 -9.166 -4.187 -9.214 1.00 0.00 N ATOM 1843 CA ALA A 114 -8.233 -4.489 -10.335 1.00 0.00 C ATOM 1844 C ALA A 114 -7.036 -5.282 -9.807 1.00 0.00 C ATOM 1845 O ALA A 114 -6.638 -6.280 -10.376 1.00 0.00 O ATOM 1846 CB ALA A 114 -7.742 -3.180 -10.957 1.00 0.00 C ATOM 0 H ALA A 114 -9.308 -3.195 -9.022 1.00 0.00 H new ATOM 0 HA ALA A 114 -8.754 -5.078 -11.090 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -7.059 -3.401 -11.777 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -8.594 -2.615 -11.336 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -7.223 -2.590 -10.201 1.00 0.00 H new ATOM 1852 N VAL A 115 -6.456 -4.847 -8.721 1.00 0.00 N ATOM 1853 CA VAL A 115 -5.285 -5.575 -8.158 1.00 0.00 C ATOM 1854 C VAL A 115 -5.683 -7.020 -7.845 1.00 0.00 C ATOM 1855 O VAL A 115 -4.989 -7.955 -8.193 1.00 0.00 O ATOM 1856 CB VAL A 115 -4.823 -4.885 -6.874 1.00 0.00 C ATOM 1857 CG1 VAL A 115 -3.762 -5.742 -6.184 1.00 0.00 C ATOM 1858 CG2 VAL A 115 -4.228 -3.518 -7.218 1.00 0.00 C ATOM 0 H VAL A 115 -6.743 -4.019 -8.200 1.00 0.00 H new ATOM 0 HA VAL A 115 -4.473 -5.571 -8.885 1.00 0.00 H new ATOM 0 HB VAL A 115 -5.674 -4.756 -6.206 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -3.434 -5.248 -5.269 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -4.184 -6.717 -5.939 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -2.910 -5.873 -6.851 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -3.898 -3.024 -6.304 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -3.377 -3.649 -7.887 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -4.984 -2.905 -7.709 1.00 0.00 H new ATOM 1868 N LYS A 116 -6.799 -7.210 -7.193 1.00 0.00 N ATOM 1869 CA LYS A 116 -7.240 -8.593 -6.859 1.00 0.00 C ATOM 1870 C LYS A 116 -7.471 -9.381 -8.150 1.00 0.00 C ATOM 1871 O LYS A 116 -7.295 -10.582 -8.196 1.00 0.00 O ATOM 1872 CB LYS A 116 -8.542 -8.534 -6.059 1.00 0.00 C ATOM 1873 CG LYS A 116 -8.231 -8.186 -4.601 1.00 0.00 C ATOM 1874 CD LYS A 116 -8.828 -9.255 -3.683 1.00 0.00 C ATOM 1875 CE LYS A 116 -10.251 -8.853 -3.290 1.00 0.00 C ATOM 1876 NZ LYS A 116 -11.203 -9.914 -3.723 1.00 0.00 N ATOM 0 H LYS A 116 -7.423 -6.467 -6.878 1.00 0.00 H new ATOM 0 HA LYS A 116 -6.470 -9.086 -6.265 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -9.211 -7.787 -6.487 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -9.058 -9.493 -6.113 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -7.153 -8.125 -4.453 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -8.643 -7.208 -4.354 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -8.838 -10.220 -4.189 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -8.212 -9.369 -2.791 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -10.315 -8.710 -2.211 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -10.513 -7.902 -3.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -12.171 -9.642 -3.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -11.148 -10.030 -4.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -10.956 -10.812 -3.260 1.00 0.00 H new ATOM 1890 N LYS A 117 -7.862 -8.713 -9.201 1.00 0.00 N ATOM 1891 CA LYS A 117 -8.103 -9.424 -10.488 1.00 0.00 C ATOM 1892 C LYS A 117 -6.775 -9.603 -11.227 1.00 0.00 C ATOM 1893 O LYS A 117 -6.662 -10.402 -12.135 1.00 0.00 O ATOM 1894 CB LYS A 117 -9.061 -8.601 -11.353 1.00 0.00 C ATOM 1895 CG LYS A 117 -10.467 -9.197 -11.269 1.00 0.00 C ATOM 1896 CD LYS A 117 -11.460 -8.266 -11.969 1.00 0.00 C ATOM 1897 CE LYS A 117 -12.268 -9.060 -12.996 1.00 0.00 C ATOM 1898 NZ LYS A 117 -12.803 -8.132 -14.032 1.00 0.00 N ATOM 0 H LYS A 117 -8.025 -7.706 -9.224 1.00 0.00 H new ATOM 0 HA LYS A 117 -8.542 -10.401 -10.288 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -9.073 -7.565 -11.015 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -8.719 -8.595 -12.388 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -10.484 -10.182 -11.736 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -10.754 -9.334 -10.226 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -12.128 -7.813 -11.237 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -10.927 -7.452 -12.461 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -11.639 -9.818 -13.462 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -13.087 -9.584 -12.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -13.353 -8.672 -14.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -13.417 -7.424 -13.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -12.013 -7.652 -14.509 1.00 0.00 H new ATOM 1912 N TYR A 118 -5.770 -8.864 -10.844 1.00 0.00 N ATOM 1913 CA TYR A 118 -4.451 -8.992 -11.525 1.00 0.00 C ATOM 1914 C TYR A 118 -3.609 -10.054 -10.814 1.00 0.00 C ATOM 1915 O TYR A 118 -3.410 -11.141 -11.319 1.00 0.00 O ATOM 1916 CB TYR A 118 -3.722 -7.648 -11.480 1.00 0.00 C ATOM 1917 CG TYR A 118 -4.405 -6.672 -12.408 1.00 0.00 C ATOM 1918 CD1 TYR A 118 -4.795 -7.080 -13.689 1.00 0.00 C ATOM 1919 CD2 TYR A 118 -4.649 -5.360 -11.987 1.00 0.00 C ATOM 1920 CE1 TYR A 118 -5.429 -6.176 -14.549 1.00 0.00 C ATOM 1921 CE2 TYR A 118 -5.283 -4.454 -12.847 1.00 0.00 C ATOM 1922 CZ TYR A 118 -5.672 -4.862 -14.128 1.00 0.00 C ATOM 1923 OH TYR A 118 -6.297 -3.970 -14.976 1.00 0.00 O ATOM 0 H TYR A 118 -5.805 -8.178 -10.090 1.00 0.00 H new ATOM 0 HA TYR A 118 -4.605 -9.287 -12.563 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.720 -7.258 -10.462 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -2.680 -7.777 -11.774 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -4.607 -8.093 -14.014 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -4.348 -5.046 -10.998 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -5.731 -6.491 -15.537 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -5.471 -3.442 -12.522 1.00 0.00 H new ATOM 0 HH TYR A 118 -6.795 -3.311 -14.448 1.00 0.00 H new ATOM 1933 N LEU A 119 -3.112 -9.748 -9.647 1.00 0.00 N ATOM 1934 CA LEU A 119 -2.283 -10.741 -8.908 1.00 0.00 C ATOM 1935 C LEU A 119 -3.186 -11.596 -8.010 1.00 0.00 C ATOM 1936 O LEU A 119 -4.097 -11.084 -7.389 1.00 0.00 O ATOM 1937 CB LEU A 119 -1.257 -10.003 -8.045 1.00 0.00 C ATOM 1938 CG LEU A 119 -0.461 -11.015 -7.220 1.00 0.00 C ATOM 1939 CD1 LEU A 119 0.768 -11.467 -8.011 1.00 0.00 C ATOM 1940 CD2 LEU A 119 -0.010 -10.361 -5.911 1.00 0.00 C ATOM 0 H LEU A 119 -3.244 -8.854 -9.174 1.00 0.00 H new ATOM 0 HA LEU A 119 -1.766 -11.385 -9.619 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -0.584 -9.424 -8.677 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -1.762 -9.297 -7.385 1.00 0.00 H new ATOM 0 HG LEU A 119 -1.089 -11.878 -7.001 1.00 0.00 H new ATOM 0 HD11 LEU A 119 1.335 -12.188 -7.422 1.00 0.00 H new ATOM 0 HD12 LEU A 119 0.449 -11.931 -8.944 1.00 0.00 H new ATOM 0 HD13 LEU A 119 1.397 -10.604 -8.231 1.00 0.00 H new ATOM 0 HD21 LEU A 119 0.558 -11.081 -5.321 1.00 0.00 H new ATOM 0 HD22 LEU A 119 0.618 -9.498 -6.133 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -0.884 -10.038 -5.346 1.00 0.00 H new ATOM 1952 N PRO A 120 -2.904 -12.875 -7.966 1.00 0.00 N ATOM 1953 CA PRO A 120 -3.676 -13.828 -7.150 1.00 0.00 C ATOM 1954 C PRO A 120 -3.254 -13.737 -5.680 1.00 0.00 C ATOM 1955 O PRO A 120 -2.081 -13.732 -5.362 1.00 0.00 O ATOM 1956 CB PRO A 120 -3.304 -15.191 -7.738 1.00 0.00 C ATOM 1957 CG PRO A 120 -1.944 -15.000 -8.453 1.00 0.00 C ATOM 1958 CD PRO A 120 -1.797 -13.491 -8.725 1.00 0.00 C ATOM 0 HA PRO A 120 -4.749 -13.638 -7.172 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -3.229 -15.945 -6.954 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -4.066 -15.534 -8.438 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -1.125 -15.363 -7.832 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -1.913 -15.566 -9.384 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -0.829 -13.119 -8.390 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -1.873 -13.269 -9.790 1.00 0.00 H new ATOM 1966 N LEU A 121 -4.199 -13.664 -4.783 1.00 0.00 N ATOM 1967 CA LEU A 121 -3.847 -13.572 -3.337 1.00 0.00 C ATOM 1968 C LEU A 121 -4.720 -14.542 -2.536 1.00 0.00 C ATOM 1969 O LEU A 121 -4.654 -14.601 -1.325 1.00 0.00 O ATOM 1970 CB LEU A 121 -4.077 -12.132 -2.853 1.00 0.00 C ATOM 1971 CG LEU A 121 -3.536 -11.928 -1.425 1.00 0.00 C ATOM 1972 CD1 LEU A 121 -4.643 -12.221 -0.411 1.00 0.00 C ATOM 1973 CD2 LEU A 121 -2.344 -12.855 -1.158 1.00 0.00 C ATOM 0 H LEU A 121 -5.198 -13.664 -4.988 1.00 0.00 H new ATOM 0 HA LEU A 121 -2.800 -13.837 -3.193 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.587 -11.435 -3.533 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -5.143 -11.904 -2.876 1.00 0.00 H new ATOM 0 HG LEU A 121 -3.205 -10.894 -1.325 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -4.259 -12.076 0.599 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -5.481 -11.545 -0.581 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -4.979 -13.251 -0.527 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -1.978 -12.694 -0.144 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -2.658 -13.893 -1.270 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -1.548 -12.638 -1.870 1.00 0.00 H new