USER MOD reduce.3.24.130724 H: found=0, std=0, add=943, rem=0, adj=14 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 -130:sc= 0.0493 USER MOD Set 1.2: A 118 TYR OH : rot 179:sc= 0.0429 USER MOD Set 2.1: A 20 ASN : amide:sc= -2.03! C(o=-4.2!,f=-4.9!) USER MOD Set 2.2: A 24 ASN : amide:sc= -2.21! K(o=-4.2!,f=-1.7) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -3.93! C(o=-3.9!,f=-6.2!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 150:sc= -1.35 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot -140:sc= -0.288 USER MOD Single : A 32 GLN : amide:sc= -1.33! C(o=-1.3!,f=-3.3!) USER MOD Single : A 35 ASN : amide:sc= -4.53! C(o=-4.5!,f=-17!) USER MOD Single : A 38 GLN : amide:sc= -1.69! K(o=-1.7!,f=-0.97) USER MOD Single : A 44 THR OG1 : rot 75:sc= 0.963 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 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -173:sc= -5.27! (180deg=-5.51!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -174:sc= -12.9! (180deg=-12.9!) USER MOD Single : A 70 LYS NZ :NH3+ 146:sc= -2.48! (180deg=-2.66!) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 MET CE :methyl -109:sc= -2.99! (180deg=-5.44!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.176 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.158) USER MOD Single : A 101 HIS : no HE2:sc= -14.6! C(o=-15!,f=-23!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 3.476 -12.109 -1.243 1.00 0.00 N ATOM 52 CA GLU A 4 2.534 -10.976 -1.486 1.00 0.00 C ATOM 53 C GLU A 4 3.256 -9.642 -1.281 1.00 0.00 C ATOM 54 O GLU A 4 3.105 -8.992 -0.266 1.00 0.00 O ATOM 55 CB GLU A 4 1.351 -11.073 -0.518 1.00 0.00 C ATOM 56 CG GLU A 4 1.830 -11.598 0.837 1.00 0.00 C ATOM 57 CD GLU A 4 0.632 -11.752 1.777 1.00 0.00 C ATOM 58 OE1 GLU A 4 0.039 -10.742 2.118 1.00 0.00 O ATOM 59 OE2 GLU A 4 0.329 -12.877 2.138 1.00 0.00 O ATOM 0 HA GLU A 4 2.169 -11.031 -2.512 1.00 0.00 H new ATOM 0 HB2 GLU A 4 0.888 -10.094 -0.396 1.00 0.00 H new ATOM 0 HB3 GLU A 4 0.589 -11.737 -0.926 1.00 0.00 H new ATOM 0 HG2 GLU A 4 2.332 -12.557 0.710 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.558 -10.911 1.268 1.00 0.00 H new ATOM 66 N LYS A 5 4.039 -9.228 -2.240 1.00 0.00 N ATOM 67 CA LYS A 5 4.768 -7.936 -2.102 1.00 0.00 C ATOM 68 C LYS A 5 4.158 -6.903 -3.050 1.00 0.00 C ATOM 69 O LYS A 5 3.683 -7.232 -4.119 1.00 0.00 O ATOM 70 CB LYS A 5 6.244 -8.142 -2.452 1.00 0.00 C ATOM 71 CG LYS A 5 6.363 -9.186 -3.564 1.00 0.00 C ATOM 72 CD LYS A 5 6.346 -10.589 -2.951 1.00 0.00 C ATOM 73 CE LYS A 5 7.740 -11.210 -3.059 1.00 0.00 C ATOM 74 NZ LYS A 5 7.750 -12.219 -4.157 1.00 0.00 N ATOM 0 H LYS A 5 4.205 -9.729 -3.113 1.00 0.00 H new ATOM 0 HA LYS A 5 4.685 -7.580 -1.075 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.687 -7.200 -2.774 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.796 -8.469 -1.571 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.540 -9.076 -4.270 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.286 -9.033 -4.124 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.039 -10.537 -1.906 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.617 -11.214 -3.467 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.481 -10.435 -3.256 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.014 -11.681 -2.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.697 -12.642 -4.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.054 -12.963 -3.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.506 -11.756 -5.056 1.00 0.00 H new ATOM 88 N ILE A 6 4.165 -5.655 -2.668 1.00 0.00 N ATOM 89 CA ILE A 6 3.585 -4.604 -3.550 1.00 0.00 C ATOM 90 C ILE A 6 4.322 -3.282 -3.323 1.00 0.00 C ATOM 91 O ILE A 6 5.037 -3.117 -2.355 1.00 0.00 O ATOM 92 CB ILE A 6 2.102 -4.424 -3.221 1.00 0.00 C ATOM 93 CG1 ILE A 6 1.329 -5.670 -3.660 1.00 0.00 C ATOM 94 CG2 ILE A 6 1.558 -3.202 -3.964 1.00 0.00 C ATOM 95 CD1 ILE A 6 -0.172 -5.408 -3.541 1.00 0.00 C ATOM 0 H ILE A 6 4.547 -5.318 -1.784 1.00 0.00 H new ATOM 0 HA ILE A 6 3.693 -4.905 -4.592 1.00 0.00 H new ATOM 0 HB ILE A 6 1.984 -4.279 -2.147 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.584 -5.925 -4.689 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.610 -6.522 -3.041 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.501 -3.074 -3.729 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.108 -2.313 -3.655 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.676 -3.347 -5.038 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.722 -6.295 -3.854 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.419 -5.174 -2.506 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.446 -4.568 -4.179 1.00 0.00 H new ATOM 107 N LEU A 7 4.152 -2.339 -4.209 1.00 0.00 N ATOM 108 CA LEU A 7 4.842 -1.028 -4.045 1.00 0.00 C ATOM 109 C LEU A 7 3.835 0.106 -4.243 1.00 0.00 C ATOM 110 O LEU A 7 3.060 0.105 -5.178 1.00 0.00 O ATOM 111 CB LEU A 7 5.956 -0.909 -5.088 1.00 0.00 C ATOM 112 CG LEU A 7 6.898 0.234 -4.704 1.00 0.00 C ATOM 113 CD1 LEU A 7 6.162 1.568 -4.827 1.00 0.00 C ATOM 114 CD2 LEU A 7 7.369 0.043 -3.262 1.00 0.00 C ATOM 0 H LEU A 7 3.565 -2.420 -5.039 1.00 0.00 H new ATOM 0 HA LEU A 7 5.270 -0.962 -3.045 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.511 -1.845 -5.151 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.528 -0.725 -6.073 1.00 0.00 H new ATOM 0 HG LEU A 7 7.759 0.233 -5.372 1.00 0.00 H new ATOM 0 HD11 LEU A 7 6.834 2.381 -4.553 1.00 0.00 H new ATOM 0 HD12 LEU A 7 5.827 1.705 -5.855 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.299 1.570 -4.161 1.00 0.00 H new ATOM 0 HD21 LEU A 7 8.040 0.857 -2.988 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.507 0.043 -2.595 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.896 -0.907 -3.174 1.00 0.00 H new ATOM 126 N ILE A 8 3.839 1.075 -3.370 1.00 0.00 N ATOM 127 CA ILE A 8 2.882 2.209 -3.511 1.00 0.00 C ATOM 128 C ILE A 8 3.663 3.510 -3.707 1.00 0.00 C ATOM 129 O ILE A 8 4.185 4.079 -2.769 1.00 0.00 O ATOM 130 CB ILE A 8 2.021 2.312 -2.251 1.00 0.00 C ATOM 131 CG1 ILE A 8 1.311 0.978 -2.011 1.00 0.00 C ATOM 132 CG2 ILE A 8 0.981 3.419 -2.431 1.00 0.00 C ATOM 133 CD1 ILE A 8 0.233 1.157 -0.939 1.00 0.00 C ATOM 0 H ILE A 8 4.463 1.131 -2.565 1.00 0.00 H new ATOM 0 HA ILE A 8 2.238 2.038 -4.374 1.00 0.00 H new ATOM 0 HB ILE A 8 2.654 2.547 -1.396 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.861 0.622 -2.938 1.00 0.00 H new ATOM 0 HG13 ILE A 8 2.031 0.223 -1.695 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.368 3.492 -1.533 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.487 4.369 -2.603 1.00 0.00 H new ATOM 0 HG23 ILE A 8 0.346 3.186 -3.286 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.272 0.206 -0.769 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.695 1.494 -0.011 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.493 1.899 -1.273 1.00 0.00 H new ATOM 145 N VAL A 9 3.748 3.986 -4.919 1.00 0.00 N ATOM 146 CA VAL A 9 4.497 5.249 -5.173 1.00 0.00 C ATOM 147 C VAL A 9 3.547 6.441 -5.046 1.00 0.00 C ATOM 148 O VAL A 9 2.517 6.498 -5.688 1.00 0.00 O ATOM 149 CB VAL A 9 5.087 5.217 -6.584 1.00 0.00 C ATOM 150 CG1 VAL A 9 6.145 6.313 -6.721 1.00 0.00 C ATOM 151 CG2 VAL A 9 5.734 3.853 -6.834 1.00 0.00 C ATOM 0 H VAL A 9 3.331 3.555 -5.744 1.00 0.00 H new ATOM 0 HA VAL A 9 5.301 5.346 -4.444 1.00 0.00 H new ATOM 0 HB VAL A 9 4.294 5.384 -7.313 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.565 6.290 -7.727 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.687 7.286 -6.542 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.938 6.146 -5.992 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.155 3.829 -7.839 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.527 3.687 -6.105 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.982 3.070 -6.737 1.00 0.00 H new ATOM 161 N ASP A 10 3.884 7.394 -4.220 1.00 0.00 N ATOM 162 CA ASP A 10 3.001 8.582 -4.052 1.00 0.00 C ATOM 163 C ASP A 10 3.686 9.603 -3.143 1.00 0.00 C ATOM 164 O ASP A 10 4.397 9.250 -2.222 1.00 0.00 O ATOM 165 CB ASP A 10 1.675 8.148 -3.423 1.00 0.00 C ATOM 166 CG ASP A 10 0.888 9.386 -2.989 1.00 0.00 C ATOM 167 OD1 ASP A 10 0.472 10.133 -3.858 1.00 0.00 O ATOM 168 OD2 ASP A 10 0.714 9.564 -1.794 1.00 0.00 O ATOM 0 H ASP A 10 4.733 7.401 -3.654 1.00 0.00 H new ATOM 0 HA ASP A 10 2.811 9.033 -5.026 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.094 7.567 -4.139 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.861 7.503 -2.565 1.00 0.00 H new ATOM 173 N ASP A 11 3.481 10.867 -3.393 1.00 0.00 N ATOM 174 CA ASP A 11 4.121 11.910 -2.544 1.00 0.00 C ATOM 175 C ASP A 11 3.036 12.738 -1.852 1.00 0.00 C ATOM 176 O ASP A 11 3.218 13.221 -0.752 1.00 0.00 O ATOM 177 CB ASP A 11 4.978 12.824 -3.421 1.00 0.00 C ATOM 178 CG ASP A 11 4.071 13.655 -4.329 1.00 0.00 C ATOM 179 OD1 ASP A 11 3.458 13.075 -5.212 1.00 0.00 O ATOM 180 OD2 ASP A 11 4.004 14.856 -4.130 1.00 0.00 O ATOM 0 H ASP A 11 2.897 11.223 -4.150 1.00 0.00 H new ATOM 0 HA ASP A 11 4.750 11.433 -1.792 1.00 0.00 H new ATOM 0 HB2 ASP A 11 5.585 13.480 -2.797 1.00 0.00 H new ATOM 0 HB3 ASP A 11 5.666 12.229 -4.022 1.00 0.00 H new ATOM 185 N GLN A 12 1.912 12.909 -2.490 1.00 0.00 N ATOM 186 CA GLN A 12 0.818 13.708 -1.870 1.00 0.00 C ATOM 187 C GLN A 12 0.232 12.941 -0.683 1.00 0.00 C ATOM 188 O GLN A 12 -0.506 11.991 -0.849 1.00 0.00 O ATOM 189 CB GLN A 12 -0.279 13.961 -2.907 1.00 0.00 C ATOM 190 CG GLN A 12 -1.209 15.068 -2.408 1.00 0.00 C ATOM 191 CD GLN A 12 -2.153 14.501 -1.344 1.00 0.00 C ATOM 192 OE1 GLN A 12 -2.545 13.353 -1.413 1.00 0.00 O ATOM 193 NE2 GLN A 12 -2.536 15.263 -0.358 1.00 0.00 N ATOM 0 H GLN A 12 1.703 12.530 -3.414 1.00 0.00 H new ATOM 0 HA GLN A 12 1.217 14.661 -1.523 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.166 14.248 -3.860 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.846 13.047 -3.082 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.625 15.888 -1.991 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.784 15.477 -3.239 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.207 16.227 -0.300 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -3.165 14.896 0.356 1.00 0.00 H new ATOM 202 N TYR A 13 0.557 13.347 0.514 1.00 0.00 N ATOM 203 CA TYR A 13 0.020 12.644 1.713 1.00 0.00 C ATOM 204 C TYR A 13 -1.469 12.352 1.512 1.00 0.00 C ATOM 205 O TYR A 13 -2.259 13.245 1.278 1.00 0.00 O ATOM 206 CB TYR A 13 0.206 13.531 2.947 1.00 0.00 C ATOM 207 CG TYR A 13 -0.574 12.958 4.106 1.00 0.00 C ATOM 208 CD1 TYR A 13 -1.963 13.126 4.168 1.00 0.00 C ATOM 209 CD2 TYR A 13 0.092 12.260 5.121 1.00 0.00 C ATOM 210 CE1 TYR A 13 -2.685 12.596 5.243 1.00 0.00 C ATOM 211 CE2 TYR A 13 -0.630 11.730 6.197 1.00 0.00 C ATOM 212 CZ TYR A 13 -2.019 11.898 6.258 1.00 0.00 C ATOM 213 OH TYR A 13 -2.731 11.376 7.319 1.00 0.00 O ATOM 0 H TYR A 13 1.172 14.136 0.713 1.00 0.00 H new ATOM 0 HA TYR A 13 0.556 11.705 1.855 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.263 13.596 3.204 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.133 14.545 2.733 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.477 13.665 3.386 1.00 0.00 H new ATOM 0 HD2 TYR A 13 1.163 12.130 5.074 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.756 12.725 5.290 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.116 11.192 6.980 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.117 10.921 7.933 1.00 0.00 H new ATOM 223 N GLY A 14 -1.858 11.109 1.601 1.00 0.00 N ATOM 224 CA GLY A 14 -3.296 10.765 1.416 1.00 0.00 C ATOM 225 C GLY A 14 -3.414 9.422 0.691 1.00 0.00 C ATOM 226 O GLY A 14 -4.163 8.554 1.091 1.00 0.00 O ATOM 0 H GLY A 14 -1.243 10.318 1.794 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.795 10.712 2.384 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.796 11.545 0.842 1.00 0.00 H new ATOM 230 N ILE A 15 -2.680 9.245 -0.374 1.00 0.00 N ATOM 231 CA ILE A 15 -2.752 7.960 -1.125 1.00 0.00 C ATOM 232 C ILE A 15 -1.902 6.905 -0.414 1.00 0.00 C ATOM 233 O ILE A 15 -2.391 5.868 -0.011 1.00 0.00 O ATOM 234 CB ILE A 15 -2.226 8.174 -2.547 1.00 0.00 C ATOM 235 CG1 ILE A 15 -3.271 8.935 -3.367 1.00 0.00 C ATOM 236 CG2 ILE A 15 -1.953 6.820 -3.207 1.00 0.00 C ATOM 237 CD1 ILE A 15 -2.576 10.007 -4.210 1.00 0.00 C ATOM 0 H ILE A 15 -2.034 9.935 -0.756 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.786 7.619 -1.169 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.301 8.749 -2.505 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.815 8.245 -4.013 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.003 9.396 -2.704 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.579 6.977 -4.219 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.209 6.275 -2.626 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.876 6.242 -3.247 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.320 10.549 -4.794 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.052 10.702 -3.554 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.861 9.534 -4.883 1.00 0.00 H new ATOM 249 N ARG A 16 -0.632 7.158 -0.261 1.00 0.00 N ATOM 250 CA ARG A 16 0.250 6.169 0.422 1.00 0.00 C ATOM 251 C ARG A 16 -0.455 5.620 1.664 1.00 0.00 C ATOM 252 O ARG A 16 -0.192 4.517 2.102 1.00 0.00 O ATOM 253 CB ARG A 16 1.555 6.850 0.836 1.00 0.00 C ATOM 254 CG ARG A 16 2.741 6.074 0.262 1.00 0.00 C ATOM 255 CD ARG A 16 3.564 6.994 -0.642 1.00 0.00 C ATOM 256 NE ARG A 16 4.928 7.167 -0.066 1.00 0.00 N ATOM 257 CZ ARG A 16 5.119 7.984 0.936 1.00 0.00 C ATOM 258 NH1 ARG A 16 4.118 8.655 1.438 1.00 0.00 N ATOM 259 NH2 ARG A 16 6.316 8.130 1.436 1.00 0.00 N ATOM 0 H ARG A 16 -0.166 8.007 -0.579 1.00 0.00 H new ATOM 0 HA ARG A 16 0.468 5.348 -0.261 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.571 7.878 0.475 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.626 6.892 1.923 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.363 5.690 1.070 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.386 5.213 -0.304 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.632 6.571 -1.644 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.073 7.962 -0.737 1.00 0.00 H new ATOM 0 HE ARG A 16 5.714 6.646 -0.455 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.182 8.543 1.048 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.272 9.292 2.220 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.099 7.607 1.045 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.468 8.767 2.218 1.00 0.00 H new ATOM 273 N ILE A 17 -1.347 6.380 2.238 1.00 0.00 N ATOM 274 CA ILE A 17 -2.063 5.900 3.453 1.00 0.00 C ATOM 275 C ILE A 17 -3.337 5.160 3.042 1.00 0.00 C ATOM 276 O ILE A 17 -3.480 3.976 3.273 1.00 0.00 O ATOM 277 CB ILE A 17 -2.430 7.096 4.333 1.00 0.00 C ATOM 278 CG1 ILE A 17 -1.335 8.160 4.229 1.00 0.00 C ATOM 279 CG2 ILE A 17 -2.558 6.640 5.788 1.00 0.00 C ATOM 280 CD1 ILE A 17 -1.640 9.303 5.198 1.00 0.00 C ATOM 0 H ILE A 17 -1.611 7.312 1.918 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.416 5.222 4.009 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.379 7.515 3.998 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.364 7.722 4.461 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.278 8.540 3.209 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.820 7.493 6.415 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.337 5.881 5.864 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.609 6.221 6.123 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.860 10.061 5.124 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.603 9.747 4.945 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -1.675 8.917 6.217 1.00 0.00 H new ATOM 292 N LEU A 18 -4.267 5.847 2.437 1.00 0.00 N ATOM 293 CA LEU A 18 -5.531 5.180 2.017 1.00 0.00 C ATOM 294 C LEU A 18 -5.209 3.871 1.293 1.00 0.00 C ATOM 295 O LEU A 18 -5.598 2.803 1.721 1.00 0.00 O ATOM 296 CB LEU A 18 -6.307 6.105 1.077 1.00 0.00 C ATOM 297 CG LEU A 18 -7.243 6.998 1.894 1.00 0.00 C ATOM 298 CD1 LEU A 18 -7.672 8.198 1.049 1.00 0.00 C ATOM 299 CD2 LEU A 18 -8.480 6.196 2.306 1.00 0.00 C ATOM 0 H LEU A 18 -4.206 6.841 2.216 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.135 4.965 2.898 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.615 6.718 0.500 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.882 5.515 0.363 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.723 7.350 2.785 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.339 8.834 1.632 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.792 8.769 0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.192 7.848 0.157 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.148 6.831 2.888 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.999 5.844 1.414 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.175 5.341 2.909 1.00 0.00 H new ATOM 311 N LEU A 19 -4.504 3.944 0.198 1.00 0.00 N ATOM 312 CA LEU A 19 -4.162 2.703 -0.554 1.00 0.00 C ATOM 313 C LEU A 19 -3.509 1.693 0.393 1.00 0.00 C ATOM 314 O LEU A 19 -3.639 0.496 0.223 1.00 0.00 O ATOM 315 CB LEU A 19 -3.187 3.045 -1.682 1.00 0.00 C ATOM 316 CG LEU A 19 -3.886 2.867 -3.030 1.00 0.00 C ATOM 317 CD1 LEU A 19 -4.931 3.968 -3.214 1.00 0.00 C ATOM 318 CD2 LEU A 19 -2.853 2.954 -4.155 1.00 0.00 C ATOM 0 H LEU A 19 -4.150 4.809 -0.209 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.071 2.272 -0.974 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.836 4.071 -1.575 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.310 2.400 -1.627 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.375 1.893 -3.058 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.429 3.840 -4.175 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.668 3.908 -2.413 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.442 4.942 -3.185 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.351 2.827 -5.116 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.364 3.928 -4.125 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.108 2.169 -4.026 1.00 0.00 H new ATOM 330 N ASN A 20 -2.809 2.162 1.387 1.00 0.00 N ATOM 331 CA ASN A 20 -2.148 1.228 2.341 1.00 0.00 C ATOM 332 C ASN A 20 -3.210 0.487 3.158 1.00 0.00 C ATOM 333 O ASN A 20 -3.446 -0.689 2.965 1.00 0.00 O ATOM 334 CB ASN A 20 -1.241 2.021 3.285 1.00 0.00 C ATOM 335 CG ASN A 20 -0.658 1.084 4.344 1.00 0.00 C ATOM 336 OD1 ASN A 20 -0.563 -0.108 4.131 1.00 0.00 O ATOM 337 ND2 ASN A 20 -0.260 1.577 5.484 1.00 0.00 N ATOM 0 H ASN A 20 -2.666 3.153 1.581 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.552 0.505 1.783 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.437 2.494 2.721 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.807 2.820 3.764 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.131 0.961 6.197 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.340 2.578 5.662 1.00 0.00 H new ATOM 344 N GLU A 21 -3.852 1.165 4.071 1.00 0.00 N ATOM 345 CA GLU A 21 -4.895 0.499 4.900 1.00 0.00 C ATOM 346 C GLU A 21 -5.778 -0.377 4.008 1.00 0.00 C ATOM 347 O GLU A 21 -6.289 -1.394 4.433 1.00 0.00 O ATOM 348 CB GLU A 21 -5.757 1.562 5.584 1.00 0.00 C ATOM 349 CG GLU A 21 -5.483 1.552 7.089 1.00 0.00 C ATOM 350 CD GLU A 21 -6.789 1.796 7.848 1.00 0.00 C ATOM 351 OE1 GLU A 21 -7.802 1.987 7.198 1.00 0.00 O ATOM 352 OE2 GLU A 21 -6.752 1.787 9.068 1.00 0.00 O ATOM 0 H GLU A 21 -3.698 2.152 4.278 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.415 -0.123 5.656 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.536 2.546 5.170 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.812 1.366 5.395 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.052 0.596 7.384 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.754 2.322 7.342 1.00 0.00 H new ATOM 359 N VAL A 22 -5.962 0.010 2.776 1.00 0.00 N ATOM 360 CA VAL A 22 -6.812 -0.803 1.860 1.00 0.00 C ATOM 361 C VAL A 22 -6.131 -2.145 1.589 1.00 0.00 C ATOM 362 O VAL A 22 -6.722 -3.196 1.746 1.00 0.00 O ATOM 363 CB VAL A 22 -7.004 -0.052 0.542 1.00 0.00 C ATOM 364 CG1 VAL A 22 -7.867 -0.890 -0.403 1.00 0.00 C ATOM 365 CG2 VAL A 22 -7.698 1.285 0.814 1.00 0.00 C ATOM 0 H VAL A 22 -5.561 0.853 2.364 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.783 -0.976 2.324 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.032 0.128 0.082 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -8.004 -0.354 -1.342 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.374 -1.843 -0.597 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.839 -1.071 0.056 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.835 1.821 -0.125 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.669 1.104 1.274 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.084 1.883 1.487 1.00 0.00 H new ATOM 375 N PHE A 23 -4.892 -2.121 1.180 1.00 0.00 N ATOM 376 CA PHE A 23 -4.174 -3.394 0.898 1.00 0.00 C ATOM 377 C PHE A 23 -3.687 -4.011 2.211 1.00 0.00 C ATOM 378 O PHE A 23 -3.080 -5.064 2.225 1.00 0.00 O ATOM 379 CB PHE A 23 -2.975 -3.113 -0.010 1.00 0.00 C ATOM 380 CG PHE A 23 -3.463 -2.699 -1.377 1.00 0.00 C ATOM 381 CD1 PHE A 23 -4.477 -3.427 -2.009 1.00 0.00 C ATOM 382 CD2 PHE A 23 -2.900 -1.585 -2.012 1.00 0.00 C ATOM 383 CE1 PHE A 23 -4.929 -3.043 -3.277 1.00 0.00 C ATOM 384 CE2 PHE A 23 -3.353 -1.200 -3.281 1.00 0.00 C ATOM 385 CZ PHE A 23 -4.367 -1.929 -3.912 1.00 0.00 C ATOM 0 H PHE A 23 -4.346 -1.273 1.029 1.00 0.00 H new ATOM 0 HA PHE A 23 -4.851 -4.089 0.402 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.356 -2.326 0.421 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.350 -4.002 -0.090 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.911 -4.286 -1.518 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.117 -1.023 -1.524 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -5.711 -3.606 -3.765 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -2.920 -0.341 -3.772 1.00 0.00 H new ATOM 0 HZ PHE A 23 -4.716 -1.632 -4.890 1.00 0.00 H new ATOM 395 N ASN A 24 -3.947 -3.367 3.316 1.00 0.00 N ATOM 396 CA ASN A 24 -3.497 -3.919 4.624 1.00 0.00 C ATOM 397 C ASN A 24 -4.571 -4.857 5.178 1.00 0.00 C ATOM 398 O ASN A 24 -4.288 -5.963 5.597 1.00 0.00 O ATOM 399 CB ASN A 24 -3.263 -2.773 5.610 1.00 0.00 C ATOM 400 CG ASN A 24 -1.770 -2.445 5.669 1.00 0.00 C ATOM 401 OD1 ASN A 24 -1.253 -2.097 6.712 1.00 0.00 O ATOM 402 ND2 ASN A 24 -1.050 -2.544 4.585 1.00 0.00 N ATOM 0 H ASN A 24 -4.452 -2.482 3.369 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.568 -4.472 4.484 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.827 -1.893 5.301 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.624 -3.052 6.600 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -0.053 -2.329 4.613 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.484 -2.836 3.709 1.00 0.00 H new ATOM 409 N LYS A 25 -5.803 -4.426 5.183 1.00 0.00 N ATOM 410 CA LYS A 25 -6.893 -5.294 5.710 1.00 0.00 C ATOM 411 C LYS A 25 -7.252 -6.353 4.665 1.00 0.00 C ATOM 412 O LYS A 25 -7.978 -7.289 4.940 1.00 0.00 O ATOM 413 CB LYS A 25 -8.125 -4.438 6.013 1.00 0.00 C ATOM 414 CG LYS A 25 -8.785 -4.930 7.302 1.00 0.00 C ATOM 415 CD LYS A 25 -8.008 -4.398 8.509 1.00 0.00 C ATOM 416 CE LYS A 25 -8.733 -4.790 9.797 1.00 0.00 C ATOM 417 NZ LYS A 25 -7.829 -5.618 10.644 1.00 0.00 N ATOM 0 H LYS A 25 -6.101 -3.511 4.845 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.558 -5.784 6.624 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.837 -3.392 6.116 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.832 -4.494 5.186 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.820 -4.592 7.345 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.804 -6.020 7.320 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.996 -4.804 8.511 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.916 -3.314 8.447 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.040 -3.896 10.340 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.640 -5.347 9.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.322 -5.885 11.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.557 -6.477 10.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.976 -5.071 10.879 1.00 0.00 H new ATOM 431 N GLU A 26 -6.749 -6.214 3.470 1.00 0.00 N ATOM 432 CA GLU A 26 -7.061 -7.213 2.409 1.00 0.00 C ATOM 433 C GLU A 26 -6.026 -8.339 2.449 1.00 0.00 C ATOM 434 O GLU A 26 -6.294 -9.456 2.049 1.00 0.00 O ATOM 435 CB GLU A 26 -7.023 -6.532 1.040 1.00 0.00 C ATOM 436 CG GLU A 26 -8.206 -7.012 0.197 1.00 0.00 C ATOM 437 CD GLU A 26 -8.678 -5.877 -0.715 1.00 0.00 C ATOM 438 OE1 GLU A 26 -9.065 -4.845 -0.190 1.00 0.00 O ATOM 439 OE2 GLU A 26 -8.642 -6.058 -1.920 1.00 0.00 O ATOM 0 H GLU A 26 -6.135 -5.452 3.182 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.055 -7.627 2.580 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.064 -5.449 1.160 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.085 -6.762 0.534 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.913 -7.875 -0.401 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.021 -7.335 0.845 1.00 0.00 H new ATOM 446 N GLY A 27 -4.846 -8.057 2.927 1.00 0.00 N ATOM 447 CA GLY A 27 -3.796 -9.112 2.991 1.00 0.00 C ATOM 448 C GLY A 27 -2.753 -8.863 1.901 1.00 0.00 C ATOM 449 O GLY A 27 -2.633 -9.622 0.959 1.00 0.00 O ATOM 0 H GLY A 27 -4.563 -7.141 3.276 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.320 -9.107 3.972 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.246 -10.096 2.860 1.00 0.00 H new ATOM 453 N TYR A 28 -1.997 -7.806 2.018 1.00 0.00 N ATOM 454 CA TYR A 28 -0.964 -7.511 0.986 1.00 0.00 C ATOM 455 C TYR A 28 0.153 -6.669 1.609 1.00 0.00 C ATOM 456 O TYR A 28 -0.097 -5.718 2.322 1.00 0.00 O ATOM 457 CB TYR A 28 -1.601 -6.734 -0.167 1.00 0.00 C ATOM 458 CG TYR A 28 -2.676 -7.575 -0.811 1.00 0.00 C ATOM 459 CD1 TYR A 28 -3.973 -7.576 -0.283 1.00 0.00 C ATOM 460 CD2 TYR A 28 -2.377 -8.353 -1.936 1.00 0.00 C ATOM 461 CE1 TYR A 28 -4.971 -8.355 -0.881 1.00 0.00 C ATOM 462 CE2 TYR A 28 -3.375 -9.132 -2.533 1.00 0.00 C ATOM 463 CZ TYR A 28 -4.672 -9.133 -2.005 1.00 0.00 C ATOM 464 OH TYR A 28 -5.656 -9.902 -2.594 1.00 0.00 O ATOM 0 H TYR A 28 -2.050 -7.134 2.784 1.00 0.00 H new ATOM 0 HA TYR A 28 -0.550 -8.447 0.610 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -2.027 -5.801 0.201 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.842 -6.469 -0.903 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -4.203 -6.976 0.585 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -1.377 -8.352 -2.343 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -5.972 -8.355 -0.475 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -3.145 -9.732 -3.401 1.00 0.00 H new ATOM 0 HH TYR A 28 -5.475 -9.986 -3.554 1.00 0.00 H new ATOM 474 N GLN A 29 1.385 -7.011 1.342 1.00 0.00 N ATOM 475 CA GLN A 29 2.515 -6.228 1.916 1.00 0.00 C ATOM 476 C GLN A 29 2.913 -5.121 0.937 1.00 0.00 C ATOM 477 O GLN A 29 3.850 -5.261 0.176 1.00 0.00 O ATOM 478 CB GLN A 29 3.709 -7.155 2.152 1.00 0.00 C ATOM 479 CG GLN A 29 3.260 -8.369 2.965 1.00 0.00 C ATOM 480 CD GLN A 29 3.823 -8.271 4.385 1.00 0.00 C ATOM 481 OE1 GLN A 29 4.829 -8.876 4.695 1.00 0.00 O ATOM 482 NE2 GLN A 29 3.211 -7.527 5.265 1.00 0.00 N ATOM 0 H GLN A 29 1.657 -7.798 0.752 1.00 0.00 H new ATOM 0 HA GLN A 29 2.208 -5.784 2.863 1.00 0.00 H new ATOM 0 HB2 GLN A 29 4.127 -7.477 1.198 1.00 0.00 H new ATOM 0 HB3 GLN A 29 4.498 -6.621 2.682 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.171 -8.416 2.997 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.605 -9.287 2.488 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.366 -7.019 5.004 1.00 0.00 H new ATOM 0 HE22 GLN A 29 3.578 -7.453 6.214 1.00 0.00 H new ATOM 491 N THR A 30 2.207 -4.025 0.948 1.00 0.00 N ATOM 492 CA THR A 30 2.543 -2.912 0.016 1.00 0.00 C ATOM 493 C THR A 30 3.546 -1.969 0.683 1.00 0.00 C ATOM 494 O THR A 30 3.519 -1.761 1.880 1.00 0.00 O ATOM 495 CB THR A 30 1.271 -2.136 -0.331 1.00 0.00 C ATOM 496 OG1 THR A 30 0.963 -1.238 0.726 1.00 0.00 O ATOM 497 CG2 THR A 30 0.111 -3.113 -0.527 1.00 0.00 C ATOM 0 H THR A 30 1.411 -3.851 1.562 1.00 0.00 H new ATOM 0 HA THR A 30 2.980 -3.323 -0.894 1.00 0.00 H new ATOM 0 HB THR A 30 1.428 -1.574 -1.252 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.006 -1.227 0.874 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.794 -2.558 -0.774 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.348 -3.801 -1.339 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.049 -3.677 0.392 1.00 0.00 H new ATOM 505 N PHE A 31 4.430 -1.392 -0.085 1.00 0.00 N ATOM 506 CA PHE A 31 5.432 -0.458 0.502 1.00 0.00 C ATOM 507 C PHE A 31 5.070 0.978 0.115 1.00 0.00 C ATOM 508 O PHE A 31 4.035 1.231 -0.467 1.00 0.00 O ATOM 509 CB PHE A 31 6.823 -0.798 -0.034 1.00 0.00 C ATOM 510 CG PHE A 31 7.174 -2.218 0.342 1.00 0.00 C ATOM 511 CD1 PHE A 31 7.290 -2.577 1.690 1.00 0.00 C ATOM 512 CD2 PHE A 31 7.383 -3.175 -0.658 1.00 0.00 C ATOM 513 CE1 PHE A 31 7.615 -3.893 2.039 1.00 0.00 C ATOM 514 CE2 PHE A 31 7.708 -4.491 -0.309 1.00 0.00 C ATOM 515 CZ PHE A 31 7.824 -4.851 1.038 1.00 0.00 C ATOM 0 H PHE A 31 4.501 -1.527 -1.093 1.00 0.00 H new ATOM 0 HA PHE A 31 5.431 -0.555 1.588 1.00 0.00 H new ATOM 0 HB2 PHE A 31 6.845 -0.681 -1.117 1.00 0.00 H new ATOM 0 HB3 PHE A 31 7.561 -0.109 0.376 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.129 -1.838 2.461 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.294 -2.898 -1.698 1.00 0.00 H new ATOM 0 HE1 PHE A 31 7.705 -4.170 3.079 1.00 0.00 H new ATOM 0 HE2 PHE A 31 7.869 -5.229 -1.080 1.00 0.00 H new ATOM 0 HZ PHE A 31 8.075 -5.867 1.306 1.00 0.00 H new ATOM 525 N GLN A 32 5.915 1.921 0.432 1.00 0.00 N ATOM 526 CA GLN A 32 5.612 3.337 0.080 1.00 0.00 C ATOM 527 C GLN A 32 6.826 3.969 -0.603 1.00 0.00 C ATOM 528 O GLN A 32 7.955 3.590 -0.361 1.00 0.00 O ATOM 529 CB GLN A 32 5.279 4.118 1.353 1.00 0.00 C ATOM 530 CG GLN A 32 3.974 3.587 1.951 1.00 0.00 C ATOM 531 CD GLN A 32 3.588 4.433 3.167 1.00 0.00 C ATOM 532 OE1 GLN A 32 3.983 5.577 3.275 1.00 0.00 O ATOM 533 NE2 GLN A 32 2.829 3.914 4.092 1.00 0.00 N ATOM 0 H GLN A 32 6.799 1.773 0.918 1.00 0.00 H new ATOM 0 HA GLN A 32 4.760 3.366 -0.599 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.089 4.019 2.075 1.00 0.00 H new ATOM 0 HB3 GLN A 32 5.182 5.180 1.126 1.00 0.00 H new ATOM 0 HG2 GLN A 32 3.180 3.620 1.205 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.094 2.544 2.244 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.498 2.954 4.001 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.567 4.469 4.907 1.00 0.00 H new ATOM 542 N ALA A 33 6.602 4.932 -1.455 1.00 0.00 N ATOM 543 CA ALA A 33 7.740 5.591 -2.154 1.00 0.00 C ATOM 544 C ALA A 33 7.283 6.949 -2.696 1.00 0.00 C ATOM 545 O ALA A 33 6.266 7.477 -2.292 1.00 0.00 O ATOM 546 CB ALA A 33 8.208 4.710 -3.313 1.00 0.00 C ATOM 0 H ALA A 33 5.678 5.291 -1.697 1.00 0.00 H new ATOM 0 HA ALA A 33 8.564 5.735 -1.455 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.041 5.193 -3.824 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.531 3.743 -2.928 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.387 4.565 -4.015 1.00 0.00 H new ATOM 552 N ALA A 34 8.025 7.518 -3.606 1.00 0.00 N ATOM 553 CA ALA A 34 7.626 8.839 -4.169 1.00 0.00 C ATOM 554 C ALA A 34 8.815 9.465 -4.901 1.00 0.00 C ATOM 555 O ALA A 34 8.682 9.981 -5.993 1.00 0.00 O ATOM 556 CB ALA A 34 7.184 9.764 -3.033 1.00 0.00 C ATOM 0 H ALA A 34 8.888 7.127 -3.983 1.00 0.00 H new ATOM 0 HA ALA A 34 6.802 8.700 -4.869 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.892 10.731 -3.444 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.336 9.320 -2.511 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.009 9.901 -2.334 1.00 0.00 H new ATOM 562 N ASN A 35 9.978 9.424 -4.309 1.00 0.00 N ATOM 563 CA ASN A 35 11.173 10.018 -4.972 1.00 0.00 C ATOM 564 C ASN A 35 11.522 9.207 -6.221 1.00 0.00 C ATOM 565 O ASN A 35 12.368 9.589 -7.005 1.00 0.00 O ATOM 566 CB ASN A 35 12.356 9.997 -4.003 1.00 0.00 C ATOM 567 CG ASN A 35 12.753 8.549 -3.712 1.00 0.00 C ATOM 568 OD1 ASN A 35 11.996 7.635 -3.970 1.00 0.00 O ATOM 569 ND2 ASN A 35 13.920 8.299 -3.182 1.00 0.00 N ATOM 0 H ASN A 35 10.152 9.005 -3.395 1.00 0.00 H new ATOM 0 HA ASN A 35 10.955 11.047 -5.258 1.00 0.00 H new ATOM 0 HB2 ASN A 35 13.200 10.537 -4.432 1.00 0.00 H new ATOM 0 HB3 ASN A 35 12.089 10.505 -3.076 1.00 0.00 H new ATOM 0 HD21 ASN A 35 14.195 7.337 -2.985 1.00 0.00 H new ATOM 0 HD22 ASN A 35 14.556 9.066 -2.965 1.00 0.00 H new ATOM 576 N GLY A 36 10.881 8.086 -6.413 1.00 0.00 N ATOM 577 CA GLY A 36 11.180 7.253 -7.611 1.00 0.00 C ATOM 578 C GLY A 36 12.337 6.304 -7.297 1.00 0.00 C ATOM 579 O GLY A 36 12.166 5.104 -7.222 1.00 0.00 O ATOM 0 H GLY A 36 10.164 7.712 -5.792 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.297 6.683 -7.901 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.439 7.892 -8.456 1.00 0.00 H new ATOM 583 N LEU A 37 13.516 6.833 -7.112 1.00 0.00 N ATOM 584 CA LEU A 37 14.683 5.961 -6.801 1.00 0.00 C ATOM 585 C LEU A 37 14.281 4.934 -5.741 1.00 0.00 C ATOM 586 O LEU A 37 14.452 3.743 -5.918 1.00 0.00 O ATOM 587 CB LEU A 37 15.834 6.818 -6.271 1.00 0.00 C ATOM 588 CG LEU A 37 17.091 6.553 -7.102 1.00 0.00 C ATOM 589 CD1 LEU A 37 17.997 7.786 -7.063 1.00 0.00 C ATOM 590 CD2 LEU A 37 17.841 5.352 -6.522 1.00 0.00 C ATOM 0 H LEU A 37 13.721 7.831 -7.163 1.00 0.00 H new ATOM 0 HA LEU A 37 15.003 5.444 -7.706 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.568 7.874 -6.320 1.00 0.00 H new ATOM 0 HB3 LEU A 37 16.022 6.585 -5.223 1.00 0.00 H new ATOM 0 HG LEU A 37 16.808 6.342 -8.133 1.00 0.00 H new ATOM 0 HD11 LEU A 37 18.893 7.598 -7.655 1.00 0.00 H new ATOM 0 HD12 LEU A 37 17.463 8.643 -7.474 1.00 0.00 H new ATOM 0 HD13 LEU A 37 18.281 7.996 -6.032 1.00 0.00 H new ATOM 0 HD21 LEU A 37 18.737 5.162 -7.113 1.00 0.00 H new ATOM 0 HD22 LEU A 37 18.125 5.564 -5.491 1.00 0.00 H new ATOM 0 HD23 LEU A 37 17.196 4.473 -6.548 1.00 0.00 H new ATOM 602 N GLN A 38 13.749 5.384 -4.638 1.00 0.00 N ATOM 603 CA GLN A 38 13.336 4.434 -3.568 1.00 0.00 C ATOM 604 C GLN A 38 12.499 3.309 -4.180 1.00 0.00 C ATOM 605 O GLN A 38 12.810 2.143 -4.039 1.00 0.00 O ATOM 606 CB GLN A 38 12.505 5.175 -2.518 1.00 0.00 C ATOM 607 CG GLN A 38 12.857 4.652 -1.124 1.00 0.00 C ATOM 608 CD GLN A 38 14.363 4.789 -0.893 1.00 0.00 C ATOM 609 OE1 GLN A 38 14.838 5.838 -0.506 1.00 0.00 O ATOM 610 NE2 GLN A 38 15.140 3.764 -1.116 1.00 0.00 N ATOM 0 H GLN A 38 13.583 6.369 -4.432 1.00 0.00 H new ATOM 0 HA GLN A 38 14.223 4.012 -3.096 1.00 0.00 H new ATOM 0 HB2 GLN A 38 12.699 6.246 -2.575 1.00 0.00 H new ATOM 0 HB3 GLN A 38 11.442 5.032 -2.714 1.00 0.00 H new ATOM 0 HG2 GLN A 38 12.310 5.211 -0.365 1.00 0.00 H new ATOM 0 HG3 GLN A 38 12.557 3.608 -1.029 1.00 0.00 H new ATOM 0 HE21 GLN A 38 14.741 2.883 -1.441 1.00 0.00 H new ATOM 0 HE22 GLN A 38 16.146 3.844 -0.965 1.00 0.00 H new ATOM 619 N ALA A 39 11.439 3.650 -4.860 1.00 0.00 N ATOM 620 CA ALA A 39 10.582 2.601 -5.482 1.00 0.00 C ATOM 621 C ALA A 39 11.469 1.550 -6.153 1.00 0.00 C ATOM 622 O ALA A 39 11.311 0.364 -5.941 1.00 0.00 O ATOM 623 CB ALA A 39 9.670 3.242 -6.529 1.00 0.00 C ATOM 0 H ALA A 39 11.129 4.610 -5.012 1.00 0.00 H new ATOM 0 HA ALA A 39 9.973 2.126 -4.713 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.043 2.475 -6.984 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.038 3.991 -6.052 1.00 0.00 H new ATOM 0 HB3 ALA A 39 10.278 3.718 -7.299 1.00 0.00 H new ATOM 629 N LEU A 40 12.402 1.975 -6.960 1.00 0.00 N ATOM 630 CA LEU A 40 13.299 1.000 -7.641 1.00 0.00 C ATOM 631 C LEU A 40 13.978 0.115 -6.594 1.00 0.00 C ATOM 632 O LEU A 40 14.085 -1.084 -6.756 1.00 0.00 O ATOM 633 CB LEU A 40 14.364 1.756 -8.439 1.00 0.00 C ATOM 634 CG LEU A 40 13.692 2.563 -9.550 1.00 0.00 C ATOM 635 CD1 LEU A 40 14.745 3.393 -10.287 1.00 0.00 C ATOM 636 CD2 LEU A 40 13.016 1.608 -10.536 1.00 0.00 C ATOM 0 H LEU A 40 12.582 2.955 -7.177 1.00 0.00 H new ATOM 0 HA LEU A 40 12.713 0.378 -8.318 1.00 0.00 H new ATOM 0 HB2 LEU A 40 14.924 2.420 -7.780 1.00 0.00 H new ATOM 0 HB3 LEU A 40 15.080 1.054 -8.867 1.00 0.00 H new ATOM 0 HG LEU A 40 12.945 3.227 -9.115 1.00 0.00 H new ATOM 0 HD11 LEU A 40 14.266 3.968 -11.079 1.00 0.00 H new ATOM 0 HD12 LEU A 40 15.228 4.073 -9.586 1.00 0.00 H new ATOM 0 HD13 LEU A 40 15.492 2.729 -10.722 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.537 2.183 -11.328 1.00 0.00 H new ATOM 0 HD22 LEU A 40 13.764 0.944 -10.970 1.00 0.00 H new ATOM 0 HD23 LEU A 40 12.266 1.016 -10.012 1.00 0.00 H new ATOM 648 N ASP A 41 14.434 0.697 -5.519 1.00 0.00 N ATOM 649 CA ASP A 41 15.106 -0.111 -4.462 1.00 0.00 C ATOM 650 C ASP A 41 14.111 -1.120 -3.885 1.00 0.00 C ATOM 651 O ASP A 41 14.484 -2.181 -3.427 1.00 0.00 O ATOM 652 CB ASP A 41 15.597 0.816 -3.348 1.00 0.00 C ATOM 653 CG ASP A 41 16.694 1.732 -3.891 1.00 0.00 C ATOM 654 OD1 ASP A 41 16.783 1.864 -5.101 1.00 0.00 O ATOM 655 OD2 ASP A 41 17.429 2.285 -3.089 1.00 0.00 O ATOM 0 H ASP A 41 14.370 1.697 -5.327 1.00 0.00 H new ATOM 0 HA ASP A 41 15.955 -0.642 -4.893 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.768 1.411 -2.965 1.00 0.00 H new ATOM 0 HB3 ASP A 41 15.980 0.228 -2.514 1.00 0.00 H new ATOM 660 N ILE A 42 12.846 -0.798 -3.903 1.00 0.00 N ATOM 661 CA ILE A 42 11.830 -1.739 -3.356 1.00 0.00 C ATOM 662 C ILE A 42 11.604 -2.880 -4.350 1.00 0.00 C ATOM 663 O ILE A 42 11.281 -3.989 -3.974 1.00 0.00 O ATOM 664 CB ILE A 42 10.513 -0.993 -3.130 1.00 0.00 C ATOM 665 CG1 ILE A 42 10.793 0.328 -2.410 1.00 0.00 C ATOM 666 CG2 ILE A 42 9.581 -1.851 -2.272 1.00 0.00 C ATOM 667 CD1 ILE A 42 11.602 0.058 -1.139 1.00 0.00 C ATOM 0 H ILE A 42 12.473 0.076 -4.273 1.00 0.00 H new ATOM 0 HA ILE A 42 12.185 -2.146 -2.409 1.00 0.00 H new ATOM 0 HB ILE A 42 10.040 -0.792 -4.091 1.00 0.00 H new ATOM 0 HG12 ILE A 42 11.343 1.002 -3.067 1.00 0.00 H new ATOM 0 HG13 ILE A 42 9.855 0.823 -2.158 1.00 0.00 H new ATOM 0 HG21 ILE A 42 8.643 -1.320 -2.111 1.00 0.00 H new ATOM 0 HG22 ILE A 42 9.381 -2.793 -2.782 1.00 0.00 H new ATOM 0 HG23 ILE A 42 10.054 -2.052 -1.311 1.00 0.00 H new ATOM 0 HD11 ILE A 42 11.801 1.000 -0.627 1.00 0.00 H new ATOM 0 HD12 ILE A 42 11.036 -0.601 -0.480 1.00 0.00 H new ATOM 0 HD13 ILE A 42 12.546 -0.418 -1.403 1.00 0.00 H new ATOM 679 N VAL A 43 11.770 -2.616 -5.617 1.00 0.00 N ATOM 680 CA VAL A 43 11.564 -3.685 -6.635 1.00 0.00 C ATOM 681 C VAL A 43 12.817 -4.562 -6.713 1.00 0.00 C ATOM 682 O VAL A 43 12.756 -5.714 -7.095 1.00 0.00 O ATOM 683 CB VAL A 43 11.303 -3.048 -7.999 1.00 0.00 C ATOM 684 CG1 VAL A 43 11.299 -4.133 -9.078 1.00 0.00 C ATOM 685 CG2 VAL A 43 9.943 -2.345 -7.980 1.00 0.00 C ATOM 0 H VAL A 43 12.039 -1.706 -5.991 1.00 0.00 H new ATOM 0 HA VAL A 43 10.708 -4.297 -6.351 1.00 0.00 H new ATOM 0 HB VAL A 43 12.087 -2.322 -8.217 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.113 -3.678 -10.051 1.00 0.00 H new ATOM 0 HG12 VAL A 43 12.266 -4.636 -9.092 1.00 0.00 H new ATOM 0 HG13 VAL A 43 10.515 -4.859 -8.861 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.755 -1.890 -8.952 1.00 0.00 H new ATOM 0 HG22 VAL A 43 9.161 -3.072 -7.762 1.00 0.00 H new ATOM 0 HG23 VAL A 43 9.944 -1.572 -7.212 1.00 0.00 H new ATOM 695 N THR A 44 13.951 -4.027 -6.353 1.00 0.00 N ATOM 696 CA THR A 44 15.204 -4.830 -6.407 1.00 0.00 C ATOM 697 C THR A 44 15.374 -5.601 -5.096 1.00 0.00 C ATOM 698 O THR A 44 15.936 -6.677 -5.067 1.00 0.00 O ATOM 699 CB THR A 44 16.400 -3.896 -6.610 1.00 0.00 C ATOM 700 OG1 THR A 44 16.067 -2.904 -7.569 1.00 0.00 O ATOM 701 CG2 THR A 44 17.603 -4.703 -7.102 1.00 0.00 C ATOM 0 H THR A 44 14.064 -3.068 -6.024 1.00 0.00 H new ATOM 0 HA THR A 44 15.148 -5.535 -7.237 1.00 0.00 H new ATOM 0 HB THR A 44 16.651 -3.416 -5.664 1.00 0.00 H new ATOM 0 HG1 THR A 44 15.468 -2.244 -7.162 1.00 0.00 H new ATOM 0 HG21 THR A 44 18.454 -4.037 -7.246 1.00 0.00 H new ATOM 0 HG22 THR A 44 17.858 -5.463 -6.363 1.00 0.00 H new ATOM 0 HG23 THR A 44 17.355 -5.185 -8.048 1.00 0.00 H new ATOM 709 N LYS A 45 14.892 -5.057 -4.013 1.00 0.00 N ATOM 710 CA LYS A 45 15.025 -5.759 -2.705 1.00 0.00 C ATOM 711 C LYS A 45 13.811 -6.663 -2.484 1.00 0.00 C ATOM 712 O LYS A 45 13.878 -7.646 -1.772 1.00 0.00 O ATOM 713 CB LYS A 45 15.106 -4.727 -1.578 1.00 0.00 C ATOM 714 CG LYS A 45 16.354 -3.863 -1.764 1.00 0.00 C ATOM 715 CD LYS A 45 16.836 -3.361 -0.402 1.00 0.00 C ATOM 716 CE LYS A 45 18.116 -4.101 -0.008 1.00 0.00 C ATOM 717 NZ LYS A 45 17.946 -4.704 1.344 1.00 0.00 N ATOM 0 H LYS A 45 14.412 -4.158 -3.977 1.00 0.00 H new ATOM 0 HA LYS A 45 15.931 -6.364 -2.709 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.214 -4.101 -1.580 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.140 -5.230 -0.612 1.00 0.00 H new ATOM 0 HG2 LYS A 45 17.140 -4.441 -2.249 1.00 0.00 H new ATOM 0 HG3 LYS A 45 16.131 -3.019 -2.416 1.00 0.00 H new ATOM 0 HD2 LYS A 45 17.022 -2.288 -0.443 1.00 0.00 H new ATOM 0 HD3 LYS A 45 16.064 -3.522 0.351 1.00 0.00 H new ATOM 0 HE2 LYS A 45 18.339 -4.878 -0.739 1.00 0.00 H new ATOM 0 HE3 LYS A 45 18.961 -3.412 -0.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 18.816 -5.207 1.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 17.753 -3.953 2.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 17.150 -5.373 1.328 1.00 0.00 H new ATOM 731 N GLU A 46 12.701 -6.340 -3.087 1.00 0.00 N ATOM 732 CA GLU A 46 11.484 -7.181 -2.911 1.00 0.00 C ATOM 733 C GLU A 46 10.981 -7.646 -4.278 1.00 0.00 C ATOM 734 O GLU A 46 10.423 -8.716 -4.415 1.00 0.00 O ATOM 735 CB GLU A 46 10.393 -6.362 -2.218 1.00 0.00 C ATOM 736 CG GLU A 46 10.920 -5.834 -0.881 1.00 0.00 C ATOM 737 CD GLU A 46 10.424 -6.733 0.254 1.00 0.00 C ATOM 738 OE1 GLU A 46 10.016 -7.846 -0.033 1.00 0.00 O ATOM 739 OE2 GLU A 46 10.462 -6.291 1.390 1.00 0.00 O ATOM 0 H GLU A 46 12.584 -5.529 -3.695 1.00 0.00 H new ATOM 0 HA GLU A 46 11.730 -8.050 -2.300 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.088 -5.531 -2.854 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.509 -6.979 -2.054 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.010 -5.811 -0.891 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.581 -4.810 -0.723 1.00 0.00 H new ATOM 746 N ARG A 47 11.175 -6.849 -5.294 1.00 0.00 N ATOM 747 CA ARG A 47 10.708 -7.246 -6.652 1.00 0.00 C ATOM 748 C ARG A 47 9.267 -7.759 -6.567 1.00 0.00 C ATOM 749 O ARG A 47 9.024 -8.941 -6.707 1.00 0.00 O ATOM 750 CB ARG A 47 11.613 -8.353 -7.198 1.00 0.00 C ATOM 751 CG ARG A 47 12.327 -7.856 -8.456 1.00 0.00 C ATOM 752 CD ARG A 47 13.837 -7.837 -8.212 1.00 0.00 C ATOM 753 NE ARG A 47 14.522 -8.623 -9.276 1.00 0.00 N ATOM 754 CZ ARG A 47 15.815 -8.803 -9.230 1.00 0.00 C ATOM 755 NH1 ARG A 47 16.514 -8.295 -8.251 1.00 0.00 N ATOM 756 NH2 ARG A 47 16.410 -9.492 -10.164 1.00 0.00 N ATOM 0 H ARG A 47 11.636 -5.941 -5.242 1.00 0.00 H new ATOM 0 HA ARG A 47 10.747 -6.383 -7.317 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.344 -8.645 -6.444 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.022 -9.239 -7.429 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.092 -8.504 -9.300 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.977 -6.857 -8.715 1.00 0.00 H new ATOM 0 HD2 ARG A 47 14.203 -6.810 -8.211 1.00 0.00 H new ATOM 0 HD3 ARG A 47 14.063 -8.257 -7.232 1.00 0.00 H new ATOM 0 HE ARG A 47 13.980 -9.022 -10.043 1.00 0.00 H new ATOM 0 HH11 ARG A 47 16.051 -7.756 -7.520 1.00 0.00 H new ATOM 0 HH12 ARG A 47 17.523 -8.437 -8.218 1.00 0.00 H new ATOM 0 HH21 ARG A 47 15.866 -9.890 -10.930 1.00 0.00 H new ATOM 0 HH22 ARG A 47 17.420 -9.633 -10.129 1.00 0.00 H new ATOM 770 N PRO A 48 8.356 -6.849 -6.340 1.00 0.00 N ATOM 771 CA PRO A 48 6.923 -7.169 -6.228 1.00 0.00 C ATOM 772 C PRO A 48 6.310 -7.386 -7.612 1.00 0.00 C ATOM 773 O PRO A 48 6.983 -7.312 -8.621 1.00 0.00 O ATOM 774 CB PRO A 48 6.325 -5.929 -5.559 1.00 0.00 C ATOM 775 CG PRO A 48 7.311 -4.768 -5.834 1.00 0.00 C ATOM 776 CD PRO A 48 8.669 -5.415 -6.171 1.00 0.00 C ATOM 0 HA PRO A 48 6.735 -8.084 -5.666 1.00 0.00 H new ATOM 0 HB2 PRO A 48 5.339 -5.706 -5.965 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.200 -6.087 -4.488 1.00 0.00 H new ATOM 0 HG2 PRO A 48 6.961 -4.149 -6.660 1.00 0.00 H new ATOM 0 HG3 PRO A 48 7.397 -4.118 -4.963 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.097 -4.991 -7.079 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.394 -5.257 -5.373 1.00 0.00 H new ATOM 784 N ASP A 49 5.034 -7.649 -7.664 1.00 0.00 N ATOM 785 CA ASP A 49 4.369 -7.868 -8.975 1.00 0.00 C ATOM 786 C ASP A 49 3.436 -6.694 -9.267 1.00 0.00 C ATOM 787 O ASP A 49 3.058 -6.450 -10.396 1.00 0.00 O ATOM 788 CB ASP A 49 3.557 -9.161 -8.920 1.00 0.00 C ATOM 789 CG ASP A 49 2.749 -9.202 -7.620 1.00 0.00 C ATOM 790 OD1 ASP A 49 2.139 -8.197 -7.294 1.00 0.00 O ATOM 791 OD2 ASP A 49 2.756 -10.236 -6.975 1.00 0.00 O ATOM 0 H ASP A 49 4.422 -7.722 -6.851 1.00 0.00 H new ATOM 0 HA ASP A 49 5.120 -7.943 -9.761 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.888 -9.219 -9.778 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.222 -10.023 -8.975 1.00 0.00 H new ATOM 796 N LEU A 50 3.059 -5.964 -8.253 1.00 0.00 N ATOM 797 CA LEU A 50 2.149 -4.804 -8.467 1.00 0.00 C ATOM 798 C LEU A 50 2.881 -3.507 -8.115 1.00 0.00 C ATOM 799 O LEU A 50 3.355 -3.330 -7.010 1.00 0.00 O ATOM 800 CB LEU A 50 0.916 -4.952 -7.574 1.00 0.00 C ATOM 801 CG LEU A 50 -0.299 -4.345 -8.276 1.00 0.00 C ATOM 802 CD1 LEU A 50 -0.636 -5.170 -9.519 1.00 0.00 C ATOM 803 CD2 LEU A 50 -1.495 -4.351 -7.321 1.00 0.00 C ATOM 0 H LEU A 50 3.342 -6.121 -7.286 1.00 0.00 H new ATOM 0 HA LEU A 50 1.840 -4.774 -9.512 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.735 -6.005 -7.357 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.084 -4.454 -6.619 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.073 -3.320 -8.571 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.502 -4.737 -10.019 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.215 -5.167 -10.200 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.862 -6.195 -9.225 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.362 -3.918 -7.821 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.720 -5.376 -7.026 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.256 -3.763 -6.435 1.00 0.00 H new ATOM 815 N VAL A 51 2.976 -2.598 -9.047 1.00 0.00 N ATOM 816 CA VAL A 51 3.675 -1.313 -8.766 1.00 0.00 C ATOM 817 C VAL A 51 2.750 -0.143 -9.107 1.00 0.00 C ATOM 818 O VAL A 51 2.385 0.060 -10.248 1.00 0.00 O ATOM 819 CB VAL A 51 4.944 -1.226 -9.617 1.00 0.00 C ATOM 820 CG1 VAL A 51 5.956 -0.308 -8.932 1.00 0.00 C ATOM 821 CG2 VAL A 51 5.548 -2.623 -9.773 1.00 0.00 C ATOM 0 H VAL A 51 2.600 -2.690 -9.991 1.00 0.00 H new ATOM 0 HA VAL A 51 3.942 -1.268 -7.710 1.00 0.00 H new ATOM 0 HB VAL A 51 4.696 -0.824 -10.599 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.860 -0.246 -9.538 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.526 0.687 -8.819 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.205 -0.710 -7.950 1.00 0.00 H new ATOM 0 HG21 VAL A 51 6.452 -2.563 -10.379 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.796 -3.024 -8.790 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.827 -3.279 -10.261 1.00 0.00 H new ATOM 831 N LEU A 52 2.367 0.628 -8.127 1.00 0.00 N ATOM 832 CA LEU A 52 1.467 1.784 -8.394 1.00 0.00 C ATOM 833 C LEU A 52 2.308 3.023 -8.701 1.00 0.00 C ATOM 834 O LEU A 52 2.939 3.589 -7.831 1.00 0.00 O ATOM 835 CB LEU A 52 0.598 2.049 -7.163 1.00 0.00 C ATOM 836 CG LEU A 52 -0.135 0.767 -6.769 1.00 0.00 C ATOM 837 CD1 LEU A 52 0.242 0.380 -5.338 1.00 0.00 C ATOM 838 CD2 LEU A 52 -1.645 0.999 -6.852 1.00 0.00 C ATOM 0 H LEU A 52 2.639 0.507 -7.151 1.00 0.00 H new ATOM 0 HA LEU A 52 0.828 1.558 -9.247 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.217 2.395 -6.335 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.121 2.840 -7.376 1.00 0.00 H new ATOM 0 HG LEU A 52 0.149 -0.037 -7.448 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.281 -0.534 -5.058 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.318 0.215 -5.277 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.041 1.183 -4.657 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.169 0.086 -6.571 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.927 1.803 -6.172 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.915 1.274 -7.872 1.00 0.00 H new ATOM 850 N LEU A 53 2.324 3.451 -9.934 1.00 0.00 N ATOM 851 CA LEU A 53 3.126 4.653 -10.296 1.00 0.00 C ATOM 852 C LEU A 53 2.215 5.882 -10.328 1.00 0.00 C ATOM 853 O LEU A 53 1.275 5.950 -11.095 1.00 0.00 O ATOM 854 CB LEU A 53 3.757 4.450 -11.675 1.00 0.00 C ATOM 855 CG LEU A 53 5.280 4.545 -11.557 1.00 0.00 C ATOM 856 CD1 LEU A 53 5.773 3.563 -10.494 1.00 0.00 C ATOM 857 CD2 LEU A 53 5.916 4.197 -12.905 1.00 0.00 C ATOM 0 H LEU A 53 1.816 3.020 -10.706 1.00 0.00 H new ATOM 0 HA LEU A 53 3.912 4.802 -9.556 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.472 3.478 -12.078 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.388 5.204 -12.371 1.00 0.00 H new ATOM 0 HG LEU A 53 5.560 5.559 -11.271 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.858 3.631 -10.411 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.319 3.808 -9.534 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.494 2.548 -10.779 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.001 4.264 -12.824 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.635 3.183 -13.189 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.565 4.896 -13.664 1.00 0.00 H new ATOM 869 N ASP A 54 2.488 6.855 -9.503 1.00 0.00 N ATOM 870 CA ASP A 54 1.638 8.079 -9.487 1.00 0.00 C ATOM 871 C ASP A 54 2.337 9.194 -10.267 1.00 0.00 C ATOM 872 O ASP A 54 3.275 9.802 -9.791 1.00 0.00 O ATOM 873 CB ASP A 54 1.418 8.527 -8.041 1.00 0.00 C ATOM 874 CG ASP A 54 0.527 9.771 -8.021 1.00 0.00 C ATOM 875 OD1 ASP A 54 -0.183 9.982 -8.991 1.00 0.00 O ATOM 876 OD2 ASP A 54 0.569 10.490 -7.037 1.00 0.00 O ATOM 0 H ASP A 54 3.263 6.856 -8.839 1.00 0.00 H new ATOM 0 HA ASP A 54 0.676 7.861 -9.950 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.953 7.725 -7.467 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.375 8.745 -7.567 1.00 0.00 H new ATOM 881 N MET A 55 1.889 9.466 -11.461 1.00 0.00 N ATOM 882 CA MET A 55 2.529 10.541 -12.270 1.00 0.00 C ATOM 883 C MET A 55 2.309 11.892 -11.587 1.00 0.00 C ATOM 884 O MET A 55 2.897 12.890 -11.958 1.00 0.00 O ATOM 885 CB MET A 55 1.907 10.568 -13.667 1.00 0.00 C ATOM 886 CG MET A 55 2.074 9.199 -14.329 1.00 0.00 C ATOM 887 SD MET A 55 3.806 8.683 -14.223 1.00 0.00 S ATOM 888 CE MET A 55 3.989 8.146 -15.940 1.00 0.00 C ATOM 0 H MET A 55 1.107 8.990 -11.912 1.00 0.00 H new ATOM 0 HA MET A 55 3.598 10.345 -12.353 1.00 0.00 H new ATOM 0 HB2 MET A 55 0.850 10.825 -13.601 1.00 0.00 H new ATOM 0 HB3 MET A 55 2.384 11.337 -14.274 1.00 0.00 H new ATOM 0 HG2 MET A 55 1.434 8.466 -13.838 1.00 0.00 H new ATOM 0 HG3 MET A 55 1.761 9.247 -15.372 1.00 0.00 H new ATOM 0 HE1 MET A 55 5.004 7.781 -16.101 1.00 0.00 H new ATOM 0 HE2 MET A 55 3.279 7.346 -16.149 1.00 0.00 H new ATOM 0 HE3 MET A 55 3.795 8.986 -16.607 1.00 0.00 H new ATOM 898 N LYS A 56 1.468 11.934 -10.590 1.00 0.00 N ATOM 899 CA LYS A 56 1.212 13.222 -9.884 1.00 0.00 C ATOM 900 C LYS A 56 2.484 13.668 -9.160 1.00 0.00 C ATOM 901 O LYS A 56 2.682 14.838 -8.900 1.00 0.00 O ATOM 902 CB LYS A 56 0.084 13.031 -8.867 1.00 0.00 C ATOM 903 CG LYS A 56 -1.264 13.047 -9.589 1.00 0.00 C ATOM 904 CD LYS A 56 -1.420 14.363 -10.353 1.00 0.00 C ATOM 905 CE LYS A 56 -2.905 14.705 -10.484 1.00 0.00 C ATOM 906 NZ LYS A 56 -3.206 15.924 -9.681 1.00 0.00 N ATOM 0 H LYS A 56 0.947 11.133 -10.234 1.00 0.00 H new ATOM 0 HA LYS A 56 0.922 13.983 -10.609 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.214 12.087 -8.338 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.117 13.823 -8.119 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.329 12.205 -10.278 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.075 12.934 -8.869 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.897 15.163 -9.830 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.967 14.278 -11.341 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.160 14.874 -11.530 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.514 13.869 -10.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.216 16.157 -9.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.978 15.747 -8.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.635 16.720 -10.031 1.00 0.00 H new ATOM 920 N ILE A 57 3.346 12.744 -8.833 1.00 0.00 N ATOM 921 CA ILE A 57 4.605 13.113 -8.126 1.00 0.00 C ATOM 922 C ILE A 57 5.204 14.371 -8.768 1.00 0.00 C ATOM 923 O ILE A 57 5.795 14.298 -9.827 1.00 0.00 O ATOM 924 CB ILE A 57 5.606 11.961 -8.242 1.00 0.00 C ATOM 925 CG1 ILE A 57 5.062 10.737 -7.503 1.00 0.00 C ATOM 926 CG2 ILE A 57 6.940 12.379 -7.620 1.00 0.00 C ATOM 927 CD1 ILE A 57 6.094 9.609 -7.552 1.00 0.00 C ATOM 0 H ILE A 57 3.232 11.749 -9.025 1.00 0.00 H new ATOM 0 HA ILE A 57 4.388 13.308 -7.076 1.00 0.00 H new ATOM 0 HB ILE A 57 5.756 11.715 -9.293 1.00 0.00 H new ATOM 0 HG12 ILE A 57 4.838 10.994 -6.468 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.128 10.409 -7.959 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.653 11.559 -7.703 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.329 13.252 -8.145 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.790 12.625 -6.569 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.706 8.737 -7.025 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.296 9.345 -8.590 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.017 9.939 -7.076 1.00 0.00 H new ATOM 939 N PRO A 58 5.031 15.490 -8.108 1.00 0.00 N ATOM 940 CA PRO A 58 5.545 16.782 -8.596 1.00 0.00 C ATOM 941 C PRO A 58 7.049 16.894 -8.327 1.00 0.00 C ATOM 942 O PRO A 58 7.493 16.844 -7.197 1.00 0.00 O ATOM 943 CB PRO A 58 4.765 17.812 -7.775 1.00 0.00 C ATOM 944 CG PRO A 58 4.283 17.080 -6.500 1.00 0.00 C ATOM 945 CD PRO A 58 4.313 15.574 -6.819 1.00 0.00 C ATOM 0 HA PRO A 58 5.418 16.917 -9.670 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.396 18.663 -7.519 1.00 0.00 H new ATOM 0 HB3 PRO A 58 3.920 18.201 -8.342 1.00 0.00 H new ATOM 0 HG2 PRO A 58 4.930 17.310 -5.653 1.00 0.00 H new ATOM 0 HG3 PRO A 58 3.277 17.398 -6.228 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.827 15.012 -6.039 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.306 15.163 -6.896 1.00 0.00 H new ATOM 953 N GLY A 59 7.835 17.045 -9.358 1.00 0.00 N ATOM 954 CA GLY A 59 9.308 17.160 -9.161 1.00 0.00 C ATOM 955 C GLY A 59 9.992 15.882 -9.654 1.00 0.00 C ATOM 956 O GLY A 59 11.183 15.705 -9.496 1.00 0.00 O ATOM 0 H GLY A 59 7.521 17.094 -10.327 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.692 18.023 -9.705 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.533 17.322 -8.107 1.00 0.00 H new ATOM 960 N MET A 60 9.248 14.989 -10.249 1.00 0.00 N ATOM 961 CA MET A 60 9.859 13.726 -10.750 1.00 0.00 C ATOM 962 C MET A 60 8.887 13.037 -11.711 1.00 0.00 C ATOM 963 O MET A 60 7.738 12.807 -11.389 1.00 0.00 O ATOM 964 CB MET A 60 10.150 12.798 -9.568 1.00 0.00 C ATOM 965 CG MET A 60 10.742 11.486 -10.085 1.00 0.00 C ATOM 966 SD MET A 60 10.389 10.158 -8.905 1.00 0.00 S ATOM 967 CE MET A 60 8.669 9.873 -9.394 1.00 0.00 C ATOM 0 H MET A 60 8.245 15.080 -10.409 1.00 0.00 H new ATOM 0 HA MET A 60 10.788 13.953 -11.272 1.00 0.00 H new ATOM 0 HB2 MET A 60 10.845 13.277 -8.878 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.234 12.602 -9.011 1.00 0.00 H new ATOM 0 HG2 MET A 60 10.319 11.243 -11.060 1.00 0.00 H new ATOM 0 HG3 MET A 60 11.818 11.589 -10.221 1.00 0.00 H new ATOM 0 HE1 MET A 60 8.207 9.167 -8.704 1.00 0.00 H new ATOM 0 HE2 MET A 60 8.123 10.816 -9.369 1.00 0.00 H new ATOM 0 HE3 MET A 60 8.641 9.464 -10.404 1.00 0.00 H new ATOM 977 N ASP A 61 9.339 12.706 -12.890 1.00 0.00 N ATOM 978 CA ASP A 61 8.441 12.032 -13.869 1.00 0.00 C ATOM 979 C ASP A 61 8.532 10.516 -13.683 1.00 0.00 C ATOM 980 O ASP A 61 9.586 9.927 -13.815 1.00 0.00 O ATOM 981 CB ASP A 61 8.870 12.398 -15.291 1.00 0.00 C ATOM 982 CG ASP A 61 8.957 13.920 -15.422 1.00 0.00 C ATOM 983 OD1 ASP A 61 8.094 14.593 -14.882 1.00 0.00 O ATOM 984 OD2 ASP A 61 9.886 14.387 -16.061 1.00 0.00 O ATOM 0 H ASP A 61 10.291 12.873 -13.217 1.00 0.00 H new ATOM 0 HA ASP A 61 7.414 12.358 -13.705 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.836 11.947 -15.518 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.155 12.001 -16.012 1.00 0.00 H new ATOM 989 N GLY A 62 7.435 9.879 -13.377 1.00 0.00 N ATOM 990 CA GLY A 62 7.460 8.402 -13.184 1.00 0.00 C ATOM 991 C GLY A 62 7.740 7.714 -14.522 1.00 0.00 C ATOM 992 O GLY A 62 7.945 6.519 -14.585 1.00 0.00 O ATOM 0 H GLY A 62 6.523 10.318 -13.252 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.227 8.133 -12.458 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.506 8.062 -12.781 1.00 0.00 H new ATOM 996 N ILE A 63 7.750 8.459 -15.594 1.00 0.00 N ATOM 997 CA ILE A 63 8.017 7.845 -16.924 1.00 0.00 C ATOM 998 C ILE A 63 9.319 7.045 -16.865 1.00 0.00 C ATOM 999 O ILE A 63 9.425 5.970 -17.420 1.00 0.00 O ATOM 1000 CB ILE A 63 8.142 8.947 -17.979 1.00 0.00 C ATOM 1001 CG1 ILE A 63 6.762 9.556 -18.244 1.00 0.00 C ATOM 1002 CG2 ILE A 63 8.693 8.352 -19.276 1.00 0.00 C ATOM 1003 CD1 ILE A 63 5.899 8.550 -19.009 1.00 0.00 C ATOM 0 H ILE A 63 7.585 9.465 -15.605 1.00 0.00 H new ATOM 0 HA ILE A 63 7.195 7.180 -17.189 1.00 0.00 H new ATOM 0 HB ILE A 63 8.819 9.721 -17.618 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.282 9.820 -17.302 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.863 10.476 -18.819 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.782 9.137 -20.027 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.674 7.916 -19.088 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.016 7.578 -19.638 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.917 8.983 -19.198 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.377 8.308 -19.958 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.787 7.642 -18.417 1.00 0.00 H new ATOM 1015 N GLU A 64 10.313 7.561 -16.194 1.00 0.00 N ATOM 1016 CA GLU A 64 11.607 6.829 -16.100 1.00 0.00 C ATOM 1017 C GLU A 64 11.420 5.573 -15.247 1.00 0.00 C ATOM 1018 O GLU A 64 11.892 4.506 -15.586 1.00 0.00 O ATOM 1019 CB GLU A 64 12.658 7.733 -15.453 1.00 0.00 C ATOM 1020 CG GLU A 64 12.694 9.079 -16.180 1.00 0.00 C ATOM 1021 CD GLU A 64 13.376 8.907 -17.538 1.00 0.00 C ATOM 1022 OE1 GLU A 64 12.903 8.097 -18.319 1.00 0.00 O ATOM 1023 OE2 GLU A 64 14.361 9.588 -17.774 1.00 0.00 O ATOM 0 H GLU A 64 10.284 8.457 -15.707 1.00 0.00 H new ATOM 0 HA GLU A 64 11.938 6.545 -17.099 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.424 7.883 -14.399 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.638 7.258 -15.497 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.681 9.459 -16.315 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.232 9.814 -15.581 1.00 0.00 H new ATOM 1030 N ILE A 65 10.735 5.690 -14.143 1.00 0.00 N ATOM 1031 CA ILE A 65 10.520 4.501 -13.271 1.00 0.00 C ATOM 1032 C ILE A 65 10.089 3.310 -14.129 1.00 0.00 C ATOM 1033 O ILE A 65 10.661 2.240 -14.055 1.00 0.00 O ATOM 1034 CB ILE A 65 9.428 4.812 -12.245 1.00 0.00 C ATOM 1035 CG1 ILE A 65 9.769 6.115 -11.519 1.00 0.00 C ATOM 1036 CG2 ILE A 65 9.340 3.672 -11.231 1.00 0.00 C ATOM 1037 CD1 ILE A 65 8.831 6.295 -10.324 1.00 0.00 C ATOM 0 H ILE A 65 10.315 6.557 -13.807 1.00 0.00 H new ATOM 0 HA ILE A 65 11.448 4.258 -12.753 1.00 0.00 H new ATOM 0 HB ILE A 65 8.470 4.918 -12.754 1.00 0.00 H new ATOM 0 HG12 ILE A 65 10.805 6.095 -11.181 1.00 0.00 H new ATOM 0 HG13 ILE A 65 9.672 6.960 -12.201 1.00 0.00 H new ATOM 0 HG21 ILE A 65 8.562 3.894 -10.500 1.00 0.00 H new ATOM 0 HG22 ILE A 65 9.098 2.743 -11.748 1.00 0.00 H new ATOM 0 HG23 ILE A 65 10.297 3.564 -10.721 1.00 0.00 H new ATOM 0 HD11 ILE A 65 9.074 7.223 -9.807 1.00 0.00 H new ATOM 0 HD12 ILE A 65 7.799 6.334 -10.674 1.00 0.00 H new ATOM 0 HD13 ILE A 65 8.950 5.456 -9.638 1.00 0.00 H new ATOM 1049 N LEU A 66 9.085 3.487 -14.944 1.00 0.00 N ATOM 1050 CA LEU A 66 8.619 2.365 -15.806 1.00 0.00 C ATOM 1051 C LEU A 66 9.785 1.859 -16.657 1.00 0.00 C ATOM 1052 O LEU A 66 9.959 0.671 -16.844 1.00 0.00 O ATOM 1053 CB LEU A 66 7.496 2.858 -16.719 1.00 0.00 C ATOM 1054 CG LEU A 66 6.280 3.241 -15.875 1.00 0.00 C ATOM 1055 CD1 LEU A 66 5.113 3.609 -16.793 1.00 0.00 C ATOM 1056 CD2 LEU A 66 5.881 2.056 -14.992 1.00 0.00 C ATOM 0 H LEU A 66 8.568 4.360 -15.050 1.00 0.00 H new ATOM 0 HA LEU A 66 8.248 1.554 -15.180 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.835 3.717 -17.298 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.226 2.080 -17.433 1.00 0.00 H new ATOM 0 HG LEU A 66 6.529 4.097 -15.247 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.247 3.882 -16.189 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.397 4.453 -17.422 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.862 2.755 -17.423 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.014 2.327 -14.389 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.633 1.201 -15.621 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.712 1.795 -14.336 1.00 0.00 H new ATOM 1068 N LYS A 67 10.586 2.750 -17.175 1.00 0.00 N ATOM 1069 CA LYS A 67 11.739 2.318 -18.014 1.00 0.00 C ATOM 1070 C LYS A 67 12.596 1.321 -17.230 1.00 0.00 C ATOM 1071 O LYS A 67 13.065 0.336 -17.765 1.00 0.00 O ATOM 1072 CB LYS A 67 12.585 3.538 -18.383 1.00 0.00 C ATOM 1073 CG LYS A 67 13.339 3.261 -19.686 1.00 0.00 C ATOM 1074 CD LYS A 67 13.384 4.535 -20.532 1.00 0.00 C ATOM 1075 CE LYS A 67 14.564 4.462 -21.503 1.00 0.00 C ATOM 1076 NZ LYS A 67 15.588 5.473 -21.116 1.00 0.00 N ATOM 0 H LYS A 67 10.491 3.758 -17.053 1.00 0.00 H new ATOM 0 HA LYS A 67 11.370 1.843 -18.923 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.947 4.414 -18.499 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.290 3.760 -17.582 1.00 0.00 H new ATOM 0 HG2 LYS A 67 14.351 2.921 -19.467 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.847 2.461 -20.240 1.00 0.00 H new ATOM 0 HD2 LYS A 67 12.451 4.650 -21.084 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.483 5.409 -19.888 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.000 3.463 -21.488 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.223 4.646 -22.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.391 5.424 -21.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.168 6.424 -21.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 15.921 5.278 -20.150 1.00 0.00 H new ATOM 1090 N ARG A 68 12.804 1.570 -15.966 1.00 0.00 N ATOM 1091 CA ARG A 68 13.631 0.635 -15.150 1.00 0.00 C ATOM 1092 C ARG A 68 12.803 -0.601 -14.797 1.00 0.00 C ATOM 1093 O ARG A 68 13.337 -1.647 -14.482 1.00 0.00 O ATOM 1094 CB ARG A 68 14.074 1.338 -13.864 1.00 0.00 C ATOM 1095 CG ARG A 68 15.233 2.288 -14.174 1.00 0.00 C ATOM 1096 CD ARG A 68 14.689 3.699 -14.402 1.00 0.00 C ATOM 1097 NE ARG A 68 15.347 4.299 -15.598 1.00 0.00 N ATOM 1098 CZ ARG A 68 16.586 4.706 -15.530 1.00 0.00 C ATOM 1099 NH1 ARG A 68 17.255 4.590 -14.414 1.00 0.00 N ATOM 1100 NH2 ARG A 68 17.157 5.228 -16.580 1.00 0.00 N ATOM 0 H ARG A 68 12.438 2.379 -15.463 1.00 0.00 H new ATOM 0 HA ARG A 68 14.509 0.333 -15.720 1.00 0.00 H new ATOM 0 HB2 ARG A 68 13.240 1.893 -13.435 1.00 0.00 H new ATOM 0 HB3 ARG A 68 14.382 0.601 -13.122 1.00 0.00 H new ATOM 0 HG2 ARG A 68 15.946 2.290 -13.349 1.00 0.00 H new ATOM 0 HG3 ARG A 68 15.770 1.947 -15.059 1.00 0.00 H new ATOM 0 HD2 ARG A 68 13.609 3.665 -14.547 1.00 0.00 H new ATOM 0 HD3 ARG A 68 14.873 4.318 -13.524 1.00 0.00 H new ATOM 0 HE ARG A 68 14.828 4.392 -16.471 1.00 0.00 H new ATOM 0 HH11 ARG A 68 16.810 4.181 -13.593 1.00 0.00 H new ATOM 0 HH12 ARG A 68 18.223 4.909 -14.364 1.00 0.00 H new ATOM 0 HH21 ARG A 68 16.636 5.318 -17.452 1.00 0.00 H new ATOM 0 HH22 ARG A 68 18.125 5.547 -16.529 1.00 0.00 H new ATOM 1114 N MET A 69 11.504 -0.492 -14.846 1.00 0.00 N ATOM 1115 CA MET A 69 10.643 -1.661 -14.511 1.00 0.00 C ATOM 1116 C MET A 69 10.727 -2.695 -15.637 1.00 0.00 C ATOM 1117 O MET A 69 10.775 -3.885 -15.397 1.00 0.00 O ATOM 1118 CB MET A 69 9.195 -1.199 -14.350 1.00 0.00 C ATOM 1119 CG MET A 69 9.081 -0.293 -13.123 1.00 0.00 C ATOM 1120 SD MET A 69 7.440 -0.479 -12.384 1.00 0.00 S ATOM 1121 CE MET A 69 7.604 0.823 -11.137 1.00 0.00 C ATOM 0 H MET A 69 11.001 0.357 -15.104 1.00 0.00 H new ATOM 0 HA MET A 69 10.986 -2.110 -13.579 1.00 0.00 H new ATOM 0 HB2 MET A 69 8.872 -0.663 -15.242 1.00 0.00 H new ATOM 0 HB3 MET A 69 8.537 -2.061 -14.241 1.00 0.00 H new ATOM 0 HG2 MET A 69 9.850 -0.551 -12.395 1.00 0.00 H new ATOM 0 HG3 MET A 69 9.247 0.746 -13.408 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.731 0.814 -10.485 1.00 0.00 H new ATOM 0 HE2 MET A 69 8.502 0.648 -10.544 1.00 0.00 H new ATOM 0 HE3 MET A 69 7.679 1.792 -11.630 1.00 0.00 H new ATOM 1131 N LYS A 70 10.744 -2.250 -16.864 1.00 0.00 N ATOM 1132 CA LYS A 70 10.824 -3.208 -18.002 1.00 0.00 C ATOM 1133 C LYS A 70 12.272 -3.667 -18.183 1.00 0.00 C ATOM 1134 O LYS A 70 12.537 -4.812 -18.490 1.00 0.00 O ATOM 1135 CB LYS A 70 10.342 -2.521 -19.283 1.00 0.00 C ATOM 1136 CG LYS A 70 11.205 -1.288 -19.558 1.00 0.00 C ATOM 1137 CD LYS A 70 10.345 -0.196 -20.198 1.00 0.00 C ATOM 1138 CE LYS A 70 9.203 0.175 -19.251 1.00 0.00 C ATOM 1139 NZ LYS A 70 7.906 0.091 -19.982 1.00 0.00 N ATOM 0 H LYS A 70 10.706 -1.265 -17.127 1.00 0.00 H new ATOM 0 HA LYS A 70 10.193 -4.072 -17.794 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.400 -3.213 -20.123 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.296 -2.231 -19.181 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.643 -0.923 -18.629 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.031 -1.549 -20.219 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.954 0.682 -20.412 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.944 -0.545 -21.149 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.194 -0.498 -18.393 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.350 1.183 -18.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.161 -0.229 -19.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.658 1.028 -20.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.993 -0.585 -20.768 1.00 0.00 H new ATOM 1153 N VAL A 71 13.213 -2.782 -17.994 1.00 0.00 N ATOM 1154 CA VAL A 71 14.642 -3.169 -18.155 1.00 0.00 C ATOM 1155 C VAL A 71 15.018 -4.189 -17.078 1.00 0.00 C ATOM 1156 O VAL A 71 15.836 -5.061 -17.293 1.00 0.00 O ATOM 1157 CB VAL A 71 15.527 -1.929 -18.014 1.00 0.00 C ATOM 1158 CG1 VAL A 71 16.999 -2.339 -18.085 1.00 0.00 C ATOM 1159 CG2 VAL A 71 15.215 -0.951 -19.150 1.00 0.00 C ATOM 0 H VAL A 71 13.053 -1.808 -17.735 1.00 0.00 H new ATOM 0 HA VAL A 71 14.790 -3.609 -19.141 1.00 0.00 H new ATOM 0 HB VAL A 71 15.331 -1.450 -17.055 1.00 0.00 H new ATOM 0 HG11 VAL A 71 17.628 -1.455 -17.984 1.00 0.00 H new ATOM 0 HG12 VAL A 71 17.222 -3.037 -17.278 1.00 0.00 H new ATOM 0 HG13 VAL A 71 17.197 -2.818 -19.044 1.00 0.00 H new ATOM 0 HG21 VAL A 71 15.844 -0.066 -19.052 1.00 0.00 H new ATOM 0 HG22 VAL A 71 15.412 -1.432 -20.108 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.166 -0.658 -19.100 1.00 0.00 H new ATOM 1169 N ILE A 72 14.428 -4.086 -15.919 1.00 0.00 N ATOM 1170 CA ILE A 72 14.752 -5.049 -14.829 1.00 0.00 C ATOM 1171 C ILE A 72 13.816 -6.255 -14.920 1.00 0.00 C ATOM 1172 O ILE A 72 14.154 -7.348 -14.508 1.00 0.00 O ATOM 1173 CB ILE A 72 14.570 -4.364 -13.474 1.00 0.00 C ATOM 1174 CG1 ILE A 72 15.552 -3.199 -13.357 1.00 0.00 C ATOM 1175 CG2 ILE A 72 14.839 -5.369 -12.352 1.00 0.00 C ATOM 1176 CD1 ILE A 72 16.975 -3.733 -13.478 1.00 0.00 C ATOM 0 H ILE A 72 13.735 -3.376 -15.680 1.00 0.00 H new ATOM 0 HA ILE A 72 15.785 -5.382 -14.933 1.00 0.00 H new ATOM 0 HB ILE A 72 13.549 -3.991 -13.391 1.00 0.00 H new ATOM 0 HG12 ILE A 72 15.358 -2.464 -14.138 1.00 0.00 H new ATOM 0 HG13 ILE A 72 15.421 -2.691 -12.402 1.00 0.00 H new ATOM 0 HG21 ILE A 72 14.709 -4.880 -11.387 1.00 0.00 H new ATOM 0 HG22 ILE A 72 14.140 -6.202 -12.434 1.00 0.00 H new ATOM 0 HG23 ILE A 72 15.860 -5.742 -12.435 1.00 0.00 H new ATOM 0 HD11 ILE A 72 17.682 -2.907 -13.395 1.00 0.00 H new ATOM 0 HD12 ILE A 72 17.163 -4.452 -12.681 1.00 0.00 H new ATOM 0 HD13 ILE A 72 17.099 -4.222 -14.444 1.00 0.00 H new ATOM 1188 N ASP A 73 12.642 -6.067 -15.456 1.00 0.00 N ATOM 1189 CA ASP A 73 11.684 -7.204 -15.575 1.00 0.00 C ATOM 1190 C ASP A 73 10.588 -6.844 -16.578 1.00 0.00 C ATOM 1191 O ASP A 73 9.987 -5.791 -16.506 1.00 0.00 O ATOM 1192 CB ASP A 73 11.054 -7.483 -14.208 1.00 0.00 C ATOM 1193 CG ASP A 73 12.047 -8.250 -13.334 1.00 0.00 C ATOM 1194 OD1 ASP A 73 12.336 -9.390 -13.661 1.00 0.00 O ATOM 1195 OD2 ASP A 73 12.503 -7.686 -12.353 1.00 0.00 O ATOM 0 H ASP A 73 12.304 -5.175 -15.817 1.00 0.00 H new ATOM 0 HA ASP A 73 12.214 -8.092 -15.920 1.00 0.00 H new ATOM 0 HB2 ASP A 73 10.777 -6.546 -13.725 1.00 0.00 H new ATOM 0 HB3 ASP A 73 10.138 -8.061 -14.329 1.00 0.00 H new ATOM 1200 N GLU A 74 10.323 -7.712 -17.517 1.00 0.00 N ATOM 1201 CA GLU A 74 9.264 -7.420 -18.525 1.00 0.00 C ATOM 1202 C GLU A 74 7.918 -7.942 -18.017 1.00 0.00 C ATOM 1203 O GLU A 74 6.879 -7.648 -18.574 1.00 0.00 O ATOM 1204 CB GLU A 74 9.614 -8.110 -19.845 1.00 0.00 C ATOM 1205 CG GLU A 74 10.900 -7.507 -20.412 1.00 0.00 C ATOM 1206 CD GLU A 74 10.953 -7.744 -21.923 1.00 0.00 C ATOM 1207 OE1 GLU A 74 10.006 -8.304 -22.448 1.00 0.00 O ATOM 1208 OE2 GLU A 74 11.941 -7.361 -22.528 1.00 0.00 O ATOM 0 H GLU A 74 10.794 -8.610 -17.629 1.00 0.00 H new ATOM 0 HA GLU A 74 9.199 -6.344 -18.683 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.742 -9.181 -19.685 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.798 -7.989 -20.558 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.938 -6.439 -20.199 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.768 -7.958 -19.932 1.00 0.00 H new ATOM 1215 N ASN A 75 7.928 -8.713 -16.965 1.00 0.00 N ATOM 1216 CA ASN A 75 6.648 -9.253 -16.425 1.00 0.00 C ATOM 1217 C ASN A 75 6.298 -8.528 -15.123 1.00 0.00 C ATOM 1218 O ASN A 75 6.009 -9.145 -14.117 1.00 0.00 O ATOM 1219 CB ASN A 75 6.801 -10.749 -16.150 1.00 0.00 C ATOM 1220 CG ASN A 75 6.811 -11.514 -17.474 1.00 0.00 C ATOM 1221 OD1 ASN A 75 5.803 -12.053 -17.886 1.00 0.00 O ATOM 1222 ND2 ASN A 75 7.916 -11.585 -18.165 1.00 0.00 N ATOM 0 H ASN A 75 8.767 -8.993 -16.456 1.00 0.00 H new ATOM 0 HA ASN A 75 5.852 -9.097 -17.153 1.00 0.00 H new ATOM 0 HB2 ASN A 75 7.725 -10.936 -15.603 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.982 -11.099 -15.522 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.933 -12.092 -19.050 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.763 -11.133 -17.820 1.00 0.00 H new ATOM 1229 N ILE A 76 6.322 -7.223 -15.134 1.00 0.00 N ATOM 1230 CA ILE A 76 5.990 -6.462 -13.897 1.00 0.00 C ATOM 1231 C ILE A 76 4.751 -5.601 -14.144 1.00 0.00 C ATOM 1232 O ILE A 76 4.721 -4.783 -15.044 1.00 0.00 O ATOM 1233 CB ILE A 76 7.169 -5.564 -13.521 1.00 0.00 C ATOM 1234 CG1 ILE A 76 6.772 -4.668 -12.346 1.00 0.00 C ATOM 1235 CG2 ILE A 76 7.549 -4.692 -14.720 1.00 0.00 C ATOM 1236 CD1 ILE A 76 7.855 -4.730 -11.267 1.00 0.00 C ATOM 0 H ILE A 76 6.557 -6.652 -15.946 1.00 0.00 H new ATOM 0 HA ILE A 76 5.790 -7.159 -13.084 1.00 0.00 H new ATOM 0 HB ILE A 76 8.020 -6.182 -13.237 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.641 -3.641 -12.686 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.816 -4.992 -11.935 1.00 0.00 H new ATOM 0 HG21 ILE A 76 8.389 -4.052 -14.452 1.00 0.00 H new ATOM 0 HG22 ILE A 76 7.831 -5.329 -15.558 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.698 -4.073 -15.004 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.572 -4.092 -10.430 1.00 0.00 H new ATOM 0 HD12 ILE A 76 7.964 -5.757 -10.919 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.802 -4.385 -11.682 1.00 0.00 H new ATOM 1248 N ARG A 77 3.727 -5.775 -13.354 1.00 0.00 N ATOM 1249 CA ARG A 77 2.491 -4.965 -13.546 1.00 0.00 C ATOM 1250 C ARG A 77 2.694 -3.575 -12.939 1.00 0.00 C ATOM 1251 O ARG A 77 3.308 -3.424 -11.902 1.00 0.00 O ATOM 1252 CB ARG A 77 1.315 -5.657 -12.852 1.00 0.00 C ATOM 1253 CG ARG A 77 0.811 -6.807 -13.726 1.00 0.00 C ATOM 1254 CD ARG A 77 0.670 -8.071 -12.875 1.00 0.00 C ATOM 1255 NE ARG A 77 0.188 -9.193 -13.729 1.00 0.00 N ATOM 1256 CZ ARG A 77 0.009 -10.380 -13.214 1.00 0.00 C ATOM 1257 NH1 ARG A 77 0.251 -10.589 -11.948 1.00 0.00 N ATOM 1258 NH2 ARG A 77 -0.413 -11.359 -13.966 1.00 0.00 N ATOM 0 H ARG A 77 3.693 -6.443 -12.584 1.00 0.00 H new ATOM 0 HA ARG A 77 2.280 -4.870 -14.611 1.00 0.00 H new ATOM 0 HB2 ARG A 77 1.625 -6.035 -11.878 1.00 0.00 H new ATOM 0 HB3 ARG A 77 0.512 -4.942 -12.675 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.149 -6.546 -14.171 1.00 0.00 H new ATOM 0 HG3 ARG A 77 1.505 -6.984 -14.548 1.00 0.00 H new ATOM 0 HD2 ARG A 77 1.629 -8.328 -12.425 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -0.029 -7.896 -12.057 1.00 0.00 H new ATOM 0 HE ARG A 77 -0.003 -9.034 -14.718 1.00 0.00 H new ATOM 0 HH11 ARG A 77 0.581 -9.824 -11.359 1.00 0.00 H new ATOM 0 HH12 ARG A 77 0.110 -11.517 -11.548 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -0.603 -11.197 -14.955 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -0.553 -12.286 -13.565 1.00 0.00 H new ATOM 1272 N VAL A 78 2.186 -2.558 -13.580 1.00 0.00 N ATOM 1273 CA VAL A 78 2.353 -1.179 -13.039 1.00 0.00 C ATOM 1274 C VAL A 78 1.130 -0.334 -13.401 1.00 0.00 C ATOM 1275 O VAL A 78 0.827 -0.128 -14.560 1.00 0.00 O ATOM 1276 CB VAL A 78 3.607 -0.544 -13.642 1.00 0.00 C ATOM 1277 CG1 VAL A 78 4.062 0.623 -12.766 1.00 0.00 C ATOM 1278 CG2 VAL A 78 4.722 -1.590 -13.717 1.00 0.00 C ATOM 0 H VAL A 78 1.663 -2.622 -14.454 1.00 0.00 H new ATOM 0 HA VAL A 78 2.453 -1.225 -11.955 1.00 0.00 H new ATOM 0 HB VAL A 78 3.382 -0.178 -14.644 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.956 1.075 -13.197 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.269 1.369 -12.712 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.287 0.259 -11.763 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.616 -1.138 -14.147 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.946 -1.956 -12.715 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.399 -2.422 -14.343 1.00 0.00 H new ATOM 1288 N ILE A 79 0.425 0.157 -12.420 1.00 0.00 N ATOM 1289 CA ILE A 79 -0.776 0.991 -12.707 1.00 0.00 C ATOM 1290 C ILE A 79 -0.359 2.460 -12.809 1.00 0.00 C ATOM 1291 O ILE A 79 0.759 2.819 -12.500 1.00 0.00 O ATOM 1292 CB ILE A 79 -1.796 0.825 -11.579 1.00 0.00 C ATOM 1293 CG1 ILE A 79 -2.044 -0.666 -11.334 1.00 0.00 C ATOM 1294 CG2 ILE A 79 -3.109 1.501 -11.972 1.00 0.00 C ATOM 1295 CD1 ILE A 79 -2.641 -0.863 -9.940 1.00 0.00 C ATOM 0 H ILE A 79 0.629 0.017 -11.430 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.225 0.673 -13.648 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.410 1.286 -10.670 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.722 -1.062 -12.090 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.109 -1.220 -11.422 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.835 1.382 -11.167 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.933 2.562 -12.148 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.497 1.042 -12.881 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.817 -1.925 -9.766 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.947 -0.483 -9.190 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -3.585 -0.322 -9.869 1.00 0.00 H new ATOM 1307 N ILE A 80 -1.248 3.313 -13.241 1.00 0.00 N ATOM 1308 CA ILE A 80 -0.892 4.759 -13.361 1.00 0.00 C ATOM 1309 C ILE A 80 -2.023 5.611 -12.784 1.00 0.00 C ATOM 1310 O ILE A 80 -3.171 5.478 -13.161 1.00 0.00 O ATOM 1311 CB ILE A 80 -0.677 5.139 -14.834 1.00 0.00 C ATOM 1312 CG1 ILE A 80 -0.790 3.900 -15.731 1.00 0.00 C ATOM 1313 CG2 ILE A 80 0.713 5.755 -14.999 1.00 0.00 C ATOM 1314 CD1 ILE A 80 -0.286 4.236 -17.136 1.00 0.00 C ATOM 0 H ILE A 80 -2.201 3.074 -13.515 1.00 0.00 H new ATOM 0 HA ILE A 80 0.031 4.939 -12.809 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.443 5.857 -15.127 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.207 3.080 -15.311 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.826 3.564 -15.776 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.869 6.026 -16.043 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.792 6.647 -14.377 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.470 5.032 -14.695 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.367 3.355 -17.772 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.888 5.042 -17.555 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.756 4.551 -17.083 1.00 0.00 H new ATOM 1326 N MET A 81 -1.706 6.492 -11.875 1.00 0.00 N ATOM 1327 CA MET A 81 -2.759 7.360 -11.278 1.00 0.00 C ATOM 1328 C MET A 81 -2.561 8.797 -11.764 1.00 0.00 C ATOM 1329 O MET A 81 -1.943 9.607 -11.102 1.00 0.00 O ATOM 1330 CB MET A 81 -2.652 7.317 -9.752 1.00 0.00 C ATOM 1331 CG MET A 81 -2.369 5.883 -9.300 1.00 0.00 C ATOM 1332 SD MET A 81 -2.426 5.797 -7.494 1.00 0.00 S ATOM 1333 CE MET A 81 -0.657 6.043 -7.199 1.00 0.00 C ATOM 0 H MET A 81 -0.763 6.648 -11.520 1.00 0.00 H new ATOM 0 HA MET A 81 -3.743 7.003 -11.581 1.00 0.00 H new ATOM 0 HB2 MET A 81 -1.856 7.980 -9.414 1.00 0.00 H new ATOM 0 HB3 MET A 81 -3.578 7.675 -9.302 1.00 0.00 H new ATOM 0 HG2 MET A 81 -3.104 5.203 -9.730 1.00 0.00 H new ATOM 0 HG3 MET A 81 -1.391 5.564 -9.659 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.213 5.110 -6.851 1.00 0.00 H new ATOM 0 HE2 MET A 81 -0.173 6.352 -8.126 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.518 6.815 -6.442 1.00 0.00 H new ATOM 1343 N THR A 82 -3.075 9.119 -12.919 1.00 0.00 N ATOM 1344 CA THR A 82 -2.910 10.501 -13.450 1.00 0.00 C ATOM 1345 C THR A 82 -4.117 10.862 -14.318 1.00 0.00 C ATOM 1346 O THR A 82 -5.226 10.437 -14.062 1.00 0.00 O ATOM 1347 CB THR A 82 -1.621 10.572 -14.281 1.00 0.00 C ATOM 1348 OG1 THR A 82 -1.231 11.929 -14.431 1.00 0.00 O ATOM 1349 CG2 THR A 82 -1.852 9.948 -15.659 1.00 0.00 C ATOM 0 H THR A 82 -3.602 8.484 -13.518 1.00 0.00 H new ATOM 0 HA THR A 82 -2.844 11.210 -12.624 1.00 0.00 H new ATOM 0 HB THR A 82 -0.833 10.020 -13.769 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.407 11.976 -14.960 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.933 10.003 -16.242 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.146 8.905 -15.541 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.643 10.491 -16.177 1.00 0.00 H new ATOM 1357 N ALA A 83 -3.909 11.648 -15.338 1.00 0.00 N ATOM 1358 CA ALA A 83 -5.038 12.046 -16.225 1.00 0.00 C ATOM 1359 C ALA A 83 -5.953 10.845 -16.475 1.00 0.00 C ATOM 1360 O ALA A 83 -5.531 9.707 -16.410 1.00 0.00 O ATOM 1361 CB ALA A 83 -4.471 12.546 -17.551 1.00 0.00 C ATOM 0 H ALA A 83 -3.001 12.034 -15.596 1.00 0.00 H new ATOM 0 HA ALA A 83 -5.618 12.836 -15.748 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.289 12.840 -18.209 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.824 13.405 -17.370 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -3.894 11.751 -18.023 1.00 0.00 H new ATOM 1458 N ILE A 90 0.487 7.057 -22.747 1.00 0.00 N ATOM 1459 CA ILE A 90 -0.324 5.880 -22.324 1.00 0.00 C ATOM 1460 C ILE A 90 -0.380 4.864 -23.466 1.00 0.00 C ATOM 1461 O ILE A 90 -0.154 3.686 -23.272 1.00 0.00 O ATOM 1462 CB ILE A 90 -1.743 6.335 -21.978 1.00 0.00 C ATOM 1463 CG1 ILE A 90 -1.685 7.680 -21.251 1.00 0.00 C ATOM 1464 CG2 ILE A 90 -2.405 5.295 -21.072 1.00 0.00 C ATOM 1465 CD1 ILE A 90 -3.106 8.207 -21.040 1.00 0.00 C ATOM 0 HA ILE A 90 0.133 5.420 -21.448 1.00 0.00 H new ATOM 0 HB ILE A 90 -2.323 6.442 -22.894 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.182 7.565 -20.291 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -1.103 8.395 -21.832 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.416 5.619 -20.825 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.447 4.336 -21.589 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.824 5.188 -20.156 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -3.066 9.165 -20.522 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.593 8.337 -22.006 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -3.673 7.494 -20.441 1.00 0.00 H new ATOM 1477 N GLN A 91 -0.681 5.309 -24.654 1.00 0.00 N ATOM 1478 CA GLN A 91 -0.752 4.367 -25.807 1.00 0.00 C ATOM 1479 C GLN A 91 0.503 3.493 -25.830 1.00 0.00 C ATOM 1480 O GLN A 91 0.447 2.316 -26.131 1.00 0.00 O ATOM 1481 CB GLN A 91 -0.843 5.163 -27.111 1.00 0.00 C ATOM 1482 CG GLN A 91 -1.914 4.546 -28.011 1.00 0.00 C ATOM 1483 CD GLN A 91 -1.427 4.549 -29.462 1.00 0.00 C ATOM 1484 OE1 GLN A 91 -0.432 3.931 -29.782 1.00 0.00 O ATOM 1485 NE2 GLN A 91 -2.092 5.226 -30.359 1.00 0.00 N ATOM 0 H GLN A 91 -0.881 6.284 -24.877 1.00 0.00 H new ATOM 0 HA GLN A 91 -1.634 3.734 -25.705 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -1.087 6.204 -26.898 1.00 0.00 H new ATOM 0 HB3 GLN A 91 0.121 5.159 -27.620 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -2.130 3.527 -27.691 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -2.843 5.110 -27.927 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -2.928 5.745 -30.090 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -1.776 5.236 -31.329 1.00 0.00 H new ATOM 1494 N GLU A 92 1.637 4.057 -25.514 1.00 0.00 N ATOM 1495 CA GLU A 92 2.894 3.257 -25.518 1.00 0.00 C ATOM 1496 C GLU A 92 3.111 2.639 -24.135 1.00 0.00 C ATOM 1497 O GLU A 92 3.563 1.519 -24.009 1.00 0.00 O ATOM 1498 CB GLU A 92 4.076 4.165 -25.862 1.00 0.00 C ATOM 1499 CG GLU A 92 3.711 5.046 -27.059 1.00 0.00 C ATOM 1500 CD GLU A 92 4.583 4.666 -28.257 1.00 0.00 C ATOM 1501 OE1 GLU A 92 5.774 4.924 -28.204 1.00 0.00 O ATOM 1502 OE2 GLU A 92 4.045 4.122 -29.208 1.00 0.00 O ATOM 0 H GLU A 92 1.747 5.037 -25.253 1.00 0.00 H new ATOM 0 HA GLU A 92 2.817 2.464 -26.262 1.00 0.00 H new ATOM 0 HB2 GLU A 92 4.333 4.787 -25.004 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.955 3.564 -26.094 1.00 0.00 H new ATOM 0 HG2 GLU A 92 2.657 4.921 -27.308 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.857 6.097 -26.808 1.00 0.00 H new ATOM 1509 N SER A 93 2.794 3.362 -23.096 1.00 0.00 N ATOM 1510 CA SER A 93 2.984 2.816 -21.722 1.00 0.00 C ATOM 1511 C SER A 93 2.087 1.591 -21.529 1.00 0.00 C ATOM 1512 O SER A 93 2.228 0.852 -20.575 1.00 0.00 O ATOM 1513 CB SER A 93 2.614 3.885 -20.693 1.00 0.00 C ATOM 1514 OG SER A 93 3.672 4.829 -20.595 1.00 0.00 O ATOM 0 H SER A 93 2.412 4.307 -23.139 1.00 0.00 H new ATOM 0 HA SER A 93 4.026 2.527 -21.588 1.00 0.00 H new ATOM 0 HB2 SER A 93 1.691 4.385 -20.987 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.431 3.424 -19.722 1.00 0.00 H new ATOM 0 HG SER A 93 3.437 5.517 -19.937 1.00 0.00 H new ATOM 1520 N LYS A 94 1.166 1.370 -22.427 1.00 0.00 N ATOM 1521 CA LYS A 94 0.263 0.193 -22.292 1.00 0.00 C ATOM 1522 C LYS A 94 1.047 -1.088 -22.588 1.00 0.00 C ATOM 1523 O LYS A 94 1.338 -1.866 -21.702 1.00 0.00 O ATOM 1524 CB LYS A 94 -0.897 0.323 -23.280 1.00 0.00 C ATOM 1525 CG LYS A 94 -2.035 -0.610 -22.859 1.00 0.00 C ATOM 1526 CD LYS A 94 -3.260 0.219 -22.471 1.00 0.00 C ATOM 1527 CE LYS A 94 -4.520 -0.431 -23.045 1.00 0.00 C ATOM 1528 NZ LYS A 94 -4.687 -1.792 -22.461 1.00 0.00 N ATOM 0 H LYS A 94 1.000 1.953 -23.247 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.130 0.151 -21.276 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.250 1.354 -23.309 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.561 0.073 -24.286 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -2.285 -1.287 -23.676 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -1.720 -1.228 -22.018 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.336 0.289 -21.386 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -3.158 1.236 -22.849 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.393 0.182 -22.821 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.446 -0.496 -24.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -5.636 -2.153 -22.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.970 -2.431 -22.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -4.572 -1.743 -21.429 1.00 0.00 H new ATOM 1542 N GLU A 95 1.390 -1.311 -23.827 1.00 0.00 N ATOM 1543 CA GLU A 95 2.155 -2.540 -24.177 1.00 0.00 C ATOM 1544 C GLU A 95 3.546 -2.470 -23.546 1.00 0.00 C ATOM 1545 O GLU A 95 4.264 -3.449 -23.488 1.00 0.00 O ATOM 1546 CB GLU A 95 2.289 -2.641 -25.698 1.00 0.00 C ATOM 1547 CG GLU A 95 2.972 -1.382 -26.235 1.00 0.00 C ATOM 1548 CD GLU A 95 3.602 -1.684 -27.597 1.00 0.00 C ATOM 1549 OE1 GLU A 95 3.441 -2.797 -28.069 1.00 0.00 O ATOM 1550 OE2 GLU A 95 4.234 -0.795 -28.145 1.00 0.00 O ATOM 0 H GLU A 95 1.174 -0.696 -24.611 1.00 0.00 H new ATOM 0 HA GLU A 95 1.628 -3.417 -23.800 1.00 0.00 H new ATOM 0 HB2 GLU A 95 2.869 -3.524 -25.965 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.305 -2.756 -26.153 1.00 0.00 H new ATOM 0 HG2 GLU A 95 2.247 -0.574 -26.329 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.737 -1.044 -25.536 1.00 0.00 H new ATOM 1557 N LEU A 96 3.934 -1.318 -23.070 1.00 0.00 N ATOM 1558 CA LEU A 96 5.279 -1.184 -22.442 1.00 0.00 C ATOM 1559 C LEU A 96 5.261 -1.838 -21.059 1.00 0.00 C ATOM 1560 O LEU A 96 6.111 -2.643 -20.732 1.00 0.00 O ATOM 1561 CB LEU A 96 5.630 0.298 -22.301 1.00 0.00 C ATOM 1562 CG LEU A 96 6.123 0.836 -23.645 1.00 0.00 C ATOM 1563 CD1 LEU A 96 6.278 2.356 -23.561 1.00 0.00 C ATOM 1564 CD2 LEU A 96 7.476 0.205 -23.980 1.00 0.00 C ATOM 0 H LEU A 96 3.377 -0.464 -23.089 1.00 0.00 H new ATOM 0 HA LEU A 96 6.024 -1.675 -23.068 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.756 0.860 -21.971 1.00 0.00 H new ATOM 0 HB3 LEU A 96 6.399 0.430 -21.540 1.00 0.00 H new ATOM 0 HG LEU A 96 5.401 0.587 -24.423 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.629 2.739 -24.519 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.315 2.807 -23.321 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.000 2.606 -22.783 1.00 0.00 H new ATOM 0 HD21 LEU A 96 7.829 0.588 -24.938 1.00 0.00 H new ATOM 0 HD22 LEU A 96 8.197 0.455 -23.202 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.368 -0.878 -24.040 1.00 0.00 H new ATOM 1576 N GLY A 97 4.301 -1.500 -20.243 1.00 0.00 N ATOM 1577 CA GLY A 97 4.232 -2.103 -18.883 1.00 0.00 C ATOM 1578 C GLY A 97 3.130 -1.417 -18.073 1.00 0.00 C ATOM 1579 O GLY A 97 3.317 -1.062 -16.927 1.00 0.00 O ATOM 0 H GLY A 97 3.561 -0.832 -20.460 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.031 -3.172 -18.958 1.00 0.00 H new ATOM 0 HA3 GLY A 97 5.191 -1.994 -18.377 1.00 0.00 H new ATOM 1583 N ALA A 98 1.979 -1.229 -18.661 1.00 0.00 N ATOM 1584 CA ALA A 98 0.867 -0.566 -17.923 1.00 0.00 C ATOM 1585 C ALA A 98 -0.417 -1.382 -18.097 1.00 0.00 C ATOM 1586 O ALA A 98 -0.646 -1.984 -19.126 1.00 0.00 O ATOM 1587 CB ALA A 98 0.654 0.843 -18.481 1.00 0.00 C ATOM 0 H ALA A 98 1.762 -1.505 -19.618 1.00 0.00 H new ATOM 0 HA ALA A 98 1.119 -0.504 -16.864 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -0.159 1.329 -17.942 1.00 0.00 H new ATOM 0 HB2 ALA A 98 1.568 1.424 -18.360 1.00 0.00 H new ATOM 0 HB3 ALA A 98 0.401 0.781 -19.539 1.00 0.00 H new ATOM 1593 N LEU A 99 -1.254 -1.406 -17.096 1.00 0.00 N ATOM 1594 CA LEU A 99 -2.521 -2.183 -17.205 1.00 0.00 C ATOM 1595 C LEU A 99 -3.704 -1.285 -16.836 1.00 0.00 C ATOM 1596 O LEU A 99 -4.595 -1.059 -17.631 1.00 0.00 O ATOM 1597 CB LEU A 99 -2.472 -3.377 -16.249 1.00 0.00 C ATOM 1598 CG LEU A 99 -1.078 -4.005 -16.284 1.00 0.00 C ATOM 1599 CD1 LEU A 99 -0.467 -3.970 -14.881 1.00 0.00 C ATOM 1600 CD2 LEU A 99 -1.186 -5.457 -16.755 1.00 0.00 C ATOM 0 H LEU A 99 -1.116 -0.922 -16.209 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.640 -2.540 -18.228 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.711 -3.055 -15.236 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.222 -4.115 -16.534 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.444 -3.445 -16.971 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.527 -4.418 -14.906 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -0.391 -2.937 -14.543 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.101 -4.531 -14.194 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.193 -5.906 -16.781 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.820 -6.017 -16.067 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.622 -5.484 -17.754 1.00 0.00 H new ATOM 1612 N THR A 100 -3.722 -0.774 -15.635 1.00 0.00 N ATOM 1613 CA THR A 100 -4.848 0.104 -15.216 1.00 0.00 C ATOM 1614 C THR A 100 -4.397 1.567 -15.248 1.00 0.00 C ATOM 1615 O THR A 100 -3.244 1.877 -15.024 1.00 0.00 O ATOM 1616 CB THR A 100 -5.281 -0.264 -13.795 1.00 0.00 C ATOM 1617 OG1 THR A 100 -5.946 -1.519 -13.816 1.00 0.00 O ATOM 1618 CG2 THR A 100 -6.225 0.809 -13.252 1.00 0.00 C ATOM 0 H THR A 100 -3.005 -0.928 -14.926 1.00 0.00 H new ATOM 0 HA THR A 100 -5.686 -0.032 -15.899 1.00 0.00 H new ATOM 0 HB THR A 100 -4.403 -0.328 -13.152 1.00 0.00 H new ATOM 0 HG1 THR A 100 -6.797 -1.447 -13.335 1.00 0.00 H new ATOM 0 HG21 THR A 100 -6.532 0.545 -12.240 1.00 0.00 H new ATOM 0 HG22 THR A 100 -5.712 1.771 -13.236 1.00 0.00 H new ATOM 0 HG23 THR A 100 -7.105 0.877 -13.892 1.00 0.00 H new ATOM 1626 N HIS A 101 -5.299 2.468 -15.525 1.00 0.00 N ATOM 1627 CA HIS A 101 -4.926 3.910 -15.571 1.00 0.00 C ATOM 1628 C HIS A 101 -6.091 4.752 -15.046 1.00 0.00 C ATOM 1629 O HIS A 101 -6.991 5.109 -15.781 1.00 0.00 O ATOM 1630 CB HIS A 101 -4.616 4.311 -17.014 1.00 0.00 C ATOM 1631 CG HIS A 101 -3.729 5.526 -17.018 1.00 0.00 C ATOM 1632 ND1 HIS A 101 -2.683 5.675 -17.915 1.00 0.00 N ATOM 1633 CD2 HIS A 101 -3.720 6.657 -16.240 1.00 0.00 C ATOM 1634 CE1 HIS A 101 -2.093 6.856 -17.657 1.00 0.00 C ATOM 1635 NE2 HIS A 101 -2.686 7.496 -16.645 1.00 0.00 N ATOM 0 H HIS A 101 -6.280 2.268 -15.722 1.00 0.00 H new ATOM 0 HA HIS A 101 -4.046 4.079 -14.951 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -4.126 3.488 -17.534 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -5.541 4.521 -17.551 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -2.410 5.010 -18.639 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -4.410 6.864 -15.436 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -1.243 7.240 -18.202 1.00 0.00 H new ATOM 1643 N PHE A 102 -6.083 5.071 -13.781 1.00 0.00 N ATOM 1644 CA PHE A 102 -7.193 5.887 -13.212 1.00 0.00 C ATOM 1645 C PHE A 102 -6.665 7.268 -12.819 1.00 0.00 C ATOM 1646 O PHE A 102 -5.477 7.470 -12.666 1.00 0.00 O ATOM 1647 CB PHE A 102 -7.756 5.187 -11.973 1.00 0.00 C ATOM 1648 CG PHE A 102 -8.236 3.804 -12.346 1.00 0.00 C ATOM 1649 CD1 PHE A 102 -8.671 3.538 -13.651 1.00 0.00 C ATOM 1650 CD2 PHE A 102 -8.244 2.785 -11.385 1.00 0.00 C ATOM 1651 CE1 PHE A 102 -9.115 2.256 -13.993 1.00 0.00 C ATOM 1652 CE2 PHE A 102 -8.688 1.503 -11.728 1.00 0.00 C ATOM 1653 CZ PHE A 102 -9.123 1.237 -13.032 1.00 0.00 C ATOM 0 H PHE A 102 -5.357 4.802 -13.117 1.00 0.00 H new ATOM 0 HA PHE A 102 -7.980 5.998 -13.958 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -6.990 5.121 -11.201 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -8.579 5.768 -11.557 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -8.664 4.323 -14.393 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -7.907 2.989 -10.379 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -9.452 2.052 -14.999 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -8.695 0.718 -10.986 1.00 0.00 H new ATOM 0 HZ PHE A 102 -9.464 0.247 -13.297 1.00 0.00 H new ATOM 1663 N ALA A 103 -7.542 8.221 -12.654 1.00 0.00 N ATOM 1664 CA ALA A 103 -7.095 9.589 -12.270 1.00 0.00 C ATOM 1665 C ALA A 103 -7.599 9.913 -10.863 1.00 0.00 C ATOM 1666 O ALA A 103 -7.934 9.033 -10.095 1.00 0.00 O ATOM 1667 CB ALA A 103 -7.663 10.607 -13.261 1.00 0.00 C ATOM 0 H ALA A 103 -8.549 8.110 -12.769 1.00 0.00 H new ATOM 0 HA ALA A 103 -6.006 9.634 -12.286 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.337 11.609 -12.981 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.306 10.376 -14.265 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.752 10.562 -13.244 1.00 0.00 H new ATOM 1673 N LYS A 104 -7.657 11.171 -10.518 1.00 0.00 N ATOM 1674 CA LYS A 104 -8.140 11.549 -9.160 1.00 0.00 C ATOM 1675 C LYS A 104 -9.601 12.004 -9.245 1.00 0.00 C ATOM 1676 O LYS A 104 -10.037 12.492 -10.269 1.00 0.00 O ATOM 1677 CB LYS A 104 -7.283 12.693 -8.614 1.00 0.00 C ATOM 1678 CG LYS A 104 -6.596 12.244 -7.322 1.00 0.00 C ATOM 1679 CD LYS A 104 -5.176 12.813 -7.273 1.00 0.00 C ATOM 1680 CE LYS A 104 -4.449 12.266 -6.044 1.00 0.00 C ATOM 1681 NZ LYS A 104 -3.264 13.121 -5.747 1.00 0.00 N ATOM 0 H LYS A 104 -7.391 11.952 -11.118 1.00 0.00 H new ATOM 0 HA LYS A 104 -8.065 10.688 -8.496 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -6.537 12.987 -9.352 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -7.904 13.568 -8.423 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -7.166 12.585 -6.458 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -6.565 11.156 -7.274 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -4.634 12.544 -8.179 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -5.210 13.902 -7.234 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -5.123 12.249 -5.187 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -4.134 11.238 -6.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -2.769 12.750 -4.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -2.619 13.115 -6.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -3.577 14.095 -5.560 1.00 0.00 H new ATOM 1695 N PRO A 105 -10.312 11.832 -8.159 1.00 0.00 N ATOM 1696 CA PRO A 105 -9.772 11.238 -6.921 1.00 0.00 C ATOM 1697 C PRO A 105 -9.763 9.706 -7.001 1.00 0.00 C ATOM 1698 O PRO A 105 -9.854 9.030 -5.995 1.00 0.00 O ATOM 1699 CB PRO A 105 -10.751 11.711 -5.845 1.00 0.00 C ATOM 1700 CG PRO A 105 -12.076 12.040 -6.576 1.00 0.00 C ATOM 1701 CD PRO A 105 -11.727 12.235 -8.064 1.00 0.00 C ATOM 0 HA PRO A 105 -8.741 11.534 -6.727 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -10.904 10.938 -5.092 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -10.365 12.589 -5.327 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -12.797 11.233 -6.451 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -12.531 12.941 -6.164 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -12.360 11.621 -8.705 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -11.868 13.270 -8.374 1.00 0.00 H new ATOM 1709 N PHE A 106 -9.655 9.158 -8.180 1.00 0.00 N ATOM 1710 CA PHE A 106 -9.640 7.675 -8.323 1.00 0.00 C ATOM 1711 C PHE A 106 -10.682 7.052 -7.389 1.00 0.00 C ATOM 1712 O PHE A 106 -11.564 7.723 -6.891 1.00 0.00 O ATOM 1713 CB PHE A 106 -8.249 7.137 -7.974 1.00 0.00 C ATOM 1714 CG PHE A 106 -7.954 7.398 -6.517 1.00 0.00 C ATOM 1715 CD1 PHE A 106 -8.327 6.458 -5.548 1.00 0.00 C ATOM 1716 CD2 PHE A 106 -7.307 8.578 -6.134 1.00 0.00 C ATOM 1717 CE1 PHE A 106 -8.053 6.701 -4.196 1.00 0.00 C ATOM 1718 CE2 PHE A 106 -7.033 8.820 -4.783 1.00 0.00 C ATOM 1719 CZ PHE A 106 -7.407 7.881 -3.814 1.00 0.00 C ATOM 0 H PHE A 106 -9.576 9.677 -9.055 1.00 0.00 H new ATOM 0 HA PHE A 106 -9.880 7.413 -9.353 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -8.200 6.068 -8.179 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -7.496 7.616 -8.599 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -8.826 5.546 -5.843 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -7.019 9.303 -6.881 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -8.341 5.977 -3.448 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -6.533 9.731 -4.488 1.00 0.00 H new ATOM 0 HZ PHE A 106 -7.197 8.068 -2.771 1.00 0.00 H new ATOM 1729 N ASP A 107 -10.587 5.772 -7.151 1.00 0.00 N ATOM 1730 CA ASP A 107 -11.571 5.107 -6.251 1.00 0.00 C ATOM 1731 C ASP A 107 -10.902 3.922 -5.551 1.00 0.00 C ATOM 1732 O ASP A 107 -10.456 2.986 -6.184 1.00 0.00 O ATOM 1733 CB ASP A 107 -12.759 4.607 -7.076 1.00 0.00 C ATOM 1734 CG ASP A 107 -13.958 4.370 -6.155 1.00 0.00 C ATOM 1735 OD1 ASP A 107 -13.978 4.950 -5.082 1.00 0.00 O ATOM 1736 OD2 ASP A 107 -14.835 3.614 -6.539 1.00 0.00 O ATOM 0 H ASP A 107 -9.871 5.159 -7.541 1.00 0.00 H new ATOM 0 HA ASP A 107 -11.921 5.820 -5.504 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -13.015 5.338 -7.843 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -12.495 3.683 -7.591 1.00 0.00 H new ATOM 1741 N ILE A 108 -10.830 3.954 -4.248 1.00 0.00 N ATOM 1742 CA ILE A 108 -10.190 2.829 -3.510 1.00 0.00 C ATOM 1743 C ILE A 108 -10.850 1.511 -3.921 1.00 0.00 C ATOM 1744 O ILE A 108 -10.293 0.445 -3.742 1.00 0.00 O ATOM 1745 CB ILE A 108 -10.364 3.041 -2.005 1.00 0.00 C ATOM 1746 CG1 ILE A 108 -9.455 4.182 -1.544 1.00 0.00 C ATOM 1747 CG2 ILE A 108 -9.988 1.759 -1.259 1.00 0.00 C ATOM 1748 CD1 ILE A 108 -8.025 3.919 -2.018 1.00 0.00 C ATOM 0 H ILE A 108 -11.186 4.710 -3.663 1.00 0.00 H new ATOM 0 HA ILE A 108 -9.127 2.794 -3.750 1.00 0.00 H new ATOM 0 HB ILE A 108 -11.403 3.292 -1.793 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -9.813 5.131 -1.944 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -9.480 4.264 -0.457 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -10.113 1.912 -0.187 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -10.634 0.945 -1.587 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -8.949 1.506 -1.471 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -7.377 4.732 -1.690 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -7.669 2.979 -1.597 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -8.008 3.858 -3.106 1.00 0.00 H new ATOM 1760 N ASP A 109 -12.032 1.572 -4.470 1.00 0.00 N ATOM 1761 CA ASP A 109 -12.725 0.322 -4.891 1.00 0.00 C ATOM 1762 C ASP A 109 -12.094 -0.199 -6.183 1.00 0.00 C ATOM 1763 O ASP A 109 -11.625 -1.317 -6.250 1.00 0.00 O ATOM 1764 CB ASP A 109 -14.206 0.616 -5.129 1.00 0.00 C ATOM 1765 CG ASP A 109 -14.813 1.239 -3.869 1.00 0.00 C ATOM 1766 OD1 ASP A 109 -14.094 1.373 -2.894 1.00 0.00 O ATOM 1767 OD2 ASP A 109 -15.986 1.571 -3.904 1.00 0.00 O ATOM 0 H ASP A 109 -12.548 2.434 -4.645 1.00 0.00 H new ATOM 0 HA ASP A 109 -12.626 -0.430 -4.109 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -14.322 1.294 -5.974 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -14.734 -0.303 -5.383 1.00 0.00 H new ATOM 1772 N GLU A 110 -12.078 0.603 -7.212 1.00 0.00 N ATOM 1773 CA GLU A 110 -11.477 0.152 -8.499 1.00 0.00 C ATOM 1774 C GLU A 110 -10.006 -0.205 -8.278 1.00 0.00 C ATOM 1775 O GLU A 110 -9.429 -0.981 -9.014 1.00 0.00 O ATOM 1776 CB GLU A 110 -11.579 1.278 -9.531 1.00 0.00 C ATOM 1777 CG GLU A 110 -12.002 0.695 -10.882 1.00 0.00 C ATOM 1778 CD GLU A 110 -12.938 1.675 -11.590 1.00 0.00 C ATOM 1779 OE1 GLU A 110 -13.956 2.015 -11.010 1.00 0.00 O ATOM 1780 OE2 GLU A 110 -12.623 2.068 -12.701 1.00 0.00 O ATOM 0 H GLU A 110 -12.455 1.551 -7.217 1.00 0.00 H new ATOM 0 HA GLU A 110 -12.013 -0.725 -8.863 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -12.303 2.023 -9.202 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -10.620 1.786 -9.627 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -11.124 0.504 -11.499 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -12.503 -0.262 -10.736 1.00 0.00 H new ATOM 1787 N ILE A 111 -9.396 0.353 -7.269 1.00 0.00 N ATOM 1788 CA ILE A 111 -7.962 0.044 -7.003 1.00 0.00 C ATOM 1789 C ILE A 111 -7.845 -1.361 -6.410 1.00 0.00 C ATOM 1790 O ILE A 111 -7.149 -2.210 -6.931 1.00 0.00 O ATOM 1791 CB ILE A 111 -7.396 1.063 -6.012 1.00 0.00 C ATOM 1792 CG1 ILE A 111 -7.532 2.472 -6.598 1.00 0.00 C ATOM 1793 CG2 ILE A 111 -5.920 0.758 -5.753 1.00 0.00 C ATOM 1794 CD1 ILE A 111 -6.536 2.644 -7.746 1.00 0.00 C ATOM 0 H ILE A 111 -9.827 1.009 -6.618 1.00 0.00 H new ATOM 0 HA ILE A 111 -7.401 0.093 -7.936 1.00 0.00 H new ATOM 0 HB ILE A 111 -7.948 1.004 -5.074 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -8.549 2.632 -6.957 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -7.346 3.218 -5.826 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -5.517 1.484 -5.047 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -5.823 -0.245 -5.337 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -5.366 0.817 -6.690 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -6.632 3.646 -8.164 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -5.522 2.502 -7.372 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -6.743 1.906 -8.521 1.00 0.00 H new ATOM 1806 N ARG A 112 -8.522 -1.615 -5.324 1.00 0.00 N ATOM 1807 CA ARG A 112 -8.449 -2.966 -4.699 1.00 0.00 C ATOM 1808 C ARG A 112 -8.943 -4.018 -5.695 1.00 0.00 C ATOM 1809 O ARG A 112 -8.598 -5.179 -5.607 1.00 0.00 O ATOM 1810 CB ARG A 112 -9.329 -2.997 -3.447 1.00 0.00 C ATOM 1811 CG ARG A 112 -10.759 -2.600 -3.818 1.00 0.00 C ATOM 1812 CD ARG A 112 -11.645 -2.653 -2.572 1.00 0.00 C ATOM 1813 NE ARG A 112 -12.896 -3.400 -2.884 1.00 0.00 N ATOM 1814 CZ ARG A 112 -13.744 -3.685 -1.932 1.00 0.00 C ATOM 1815 NH1 ARG A 112 -13.500 -3.317 -0.703 1.00 0.00 N ATOM 1816 NH2 ARG A 112 -14.838 -4.339 -2.210 1.00 0.00 N ATOM 0 H ARG A 112 -9.122 -0.946 -4.842 1.00 0.00 H new ATOM 0 HA ARG A 112 -7.417 -3.183 -4.424 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -9.320 -3.995 -3.008 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -8.934 -2.314 -2.695 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -10.770 -1.596 -4.242 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -11.148 -3.273 -4.582 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -11.113 -3.139 -1.754 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -11.885 -1.643 -2.240 1.00 0.00 H new ATOM 0 HE ARG A 112 -13.091 -3.689 -3.843 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -12.645 -2.805 -0.484 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -14.164 -3.541 0.038 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -15.030 -4.627 -3.169 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -15.501 -4.562 -1.468 1.00 0.00 H new ATOM 1830 N ASP A 113 -9.746 -3.619 -6.643 1.00 0.00 N ATOM 1831 CA ASP A 113 -10.259 -4.597 -7.644 1.00 0.00 C ATOM 1832 C ASP A 113 -9.156 -4.921 -8.652 1.00 0.00 C ATOM 1833 O ASP A 113 -8.707 -6.045 -8.755 1.00 0.00 O ATOM 1834 CB ASP A 113 -11.460 -3.993 -8.376 1.00 0.00 C ATOM 1835 CG ASP A 113 -12.707 -4.114 -7.498 1.00 0.00 C ATOM 1836 OD1 ASP A 113 -12.741 -5.010 -6.672 1.00 0.00 O ATOM 1837 OD2 ASP A 113 -13.608 -3.309 -7.669 1.00 0.00 O ATOM 0 H ASP A 113 -10.069 -2.659 -6.768 1.00 0.00 H new ATOM 0 HA ASP A 113 -10.565 -5.511 -7.136 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -11.268 -2.946 -8.610 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -11.618 -4.508 -9.324 1.00 0.00 H new ATOM 1842 N ALA A 114 -8.716 -3.945 -9.399 1.00 0.00 N ATOM 1843 CA ALA A 114 -7.642 -4.198 -10.400 1.00 0.00 C ATOM 1844 C ALA A 114 -6.474 -4.915 -9.721 1.00 0.00 C ATOM 1845 O ALA A 114 -5.781 -5.708 -10.329 1.00 0.00 O ATOM 1846 CB ALA A 114 -7.159 -2.868 -10.978 1.00 0.00 C ATOM 0 H ALA A 114 -9.054 -2.984 -9.359 1.00 0.00 H new ATOM 0 HA ALA A 114 -8.033 -4.821 -11.204 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -6.373 -3.053 -11.710 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -7.992 -2.357 -11.461 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -6.767 -2.243 -10.175 1.00 0.00 H new ATOM 1852 N VAL A 115 -6.248 -4.643 -8.465 1.00 0.00 N ATOM 1853 CA VAL A 115 -5.124 -5.307 -7.748 1.00 0.00 C ATOM 1854 C VAL A 115 -5.509 -6.753 -7.427 1.00 0.00 C ATOM 1855 O VAL A 115 -4.689 -7.648 -7.470 1.00 0.00 O ATOM 1856 CB VAL A 115 -4.834 -4.557 -6.448 1.00 0.00 C ATOM 1857 CG1 VAL A 115 -3.787 -5.322 -5.637 1.00 0.00 C ATOM 1858 CG2 VAL A 115 -4.302 -3.159 -6.775 1.00 0.00 C ATOM 0 H VAL A 115 -6.794 -3.989 -7.904 1.00 0.00 H new ATOM 0 HA VAL A 115 -4.235 -5.298 -8.378 1.00 0.00 H new ATOM 0 HB VAL A 115 -5.752 -4.472 -5.866 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -3.581 -4.786 -4.711 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -4.164 -6.318 -5.404 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -2.869 -5.408 -6.218 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -4.095 -2.623 -5.849 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -3.385 -3.246 -7.357 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -5.047 -2.612 -7.352 1.00 0.00 H new ATOM 1868 N LYS A 116 -6.752 -6.989 -7.108 1.00 0.00 N ATOM 1869 CA LYS A 116 -7.189 -8.376 -6.785 1.00 0.00 C ATOM 1870 C LYS A 116 -7.161 -9.228 -8.055 1.00 0.00 C ATOM 1871 O LYS A 116 -7.103 -10.440 -8.000 1.00 0.00 O ATOM 1872 CB LYS A 116 -8.612 -8.345 -6.224 1.00 0.00 C ATOM 1873 CG LYS A 116 -8.567 -8.003 -4.733 1.00 0.00 C ATOM 1874 CD LYS A 116 -9.356 -9.049 -3.944 1.00 0.00 C ATOM 1875 CE LYS A 116 -8.823 -10.446 -4.272 1.00 0.00 C ATOM 1876 NZ LYS A 116 -9.203 -11.390 -3.185 1.00 0.00 N ATOM 0 H LYS A 116 -7.484 -6.281 -7.057 1.00 0.00 H new ATOM 0 HA LYS A 116 -6.515 -8.806 -6.044 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -9.209 -7.607 -6.759 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -9.093 -9.312 -6.372 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -7.534 -7.975 -4.387 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -8.987 -7.012 -4.564 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -9.267 -8.856 -2.875 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -10.415 -8.985 -4.193 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -9.230 -10.788 -5.224 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -7.739 -10.417 -4.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -8.841 -12.339 -3.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -8.795 -11.066 -2.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -10.239 -11.425 -3.102 1.00 0.00 H new ATOM 1890 N LYS A 117 -7.202 -8.604 -9.201 1.00 0.00 N ATOM 1891 CA LYS A 117 -7.178 -9.379 -10.472 1.00 0.00 C ATOM 1892 C LYS A 117 -5.729 -9.588 -10.916 1.00 0.00 C ATOM 1893 O LYS A 117 -5.361 -10.647 -11.389 1.00 0.00 O ATOM 1894 CB LYS A 117 -7.937 -8.607 -11.555 1.00 0.00 C ATOM 1895 CG LYS A 117 -9.442 -8.727 -11.308 1.00 0.00 C ATOM 1896 CD LYS A 117 -10.195 -8.491 -12.618 1.00 0.00 C ATOM 1897 CE LYS A 117 -11.671 -8.845 -12.430 1.00 0.00 C ATOM 1898 NZ LYS A 117 -12.496 -7.608 -12.535 1.00 0.00 N ATOM 0 H LYS A 117 -7.251 -7.591 -9.311 1.00 0.00 H new ATOM 0 HA LYS A 117 -7.653 -10.348 -10.315 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -7.639 -7.559 -11.546 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -7.687 -9.001 -12.540 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -9.679 -9.715 -10.913 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -9.757 -8.001 -10.559 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -10.096 -7.449 -12.924 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -9.763 -9.099 -13.413 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -11.982 -9.567 -13.185 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -11.822 -9.315 -11.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -13.500 -7.848 -12.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -12.205 -6.933 -11.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -12.360 -7.178 -13.472 1.00 0.00 H new ATOM 1912 N TYR A 118 -4.902 -8.589 -10.768 1.00 0.00 N ATOM 1913 CA TYR A 118 -3.478 -8.734 -11.182 1.00 0.00 C ATOM 1914 C TYR A 118 -2.727 -9.568 -10.143 1.00 0.00 C ATOM 1915 O TYR A 118 -2.240 -10.644 -10.431 1.00 0.00 O ATOM 1916 CB TYR A 118 -2.835 -7.349 -11.288 1.00 0.00 C ATOM 1917 CG TYR A 118 -3.531 -6.551 -12.364 1.00 0.00 C ATOM 1918 CD1 TYR A 118 -3.797 -7.136 -13.608 1.00 0.00 C ATOM 1919 CD2 TYR A 118 -3.910 -5.227 -12.117 1.00 0.00 C ATOM 1920 CE1 TYR A 118 -4.442 -6.396 -14.606 1.00 0.00 C ATOM 1921 CE2 TYR A 118 -4.556 -4.486 -13.114 1.00 0.00 C ATOM 1922 CZ TYR A 118 -4.822 -5.070 -14.359 1.00 0.00 C ATOM 1923 OH TYR A 118 -5.458 -4.341 -15.343 1.00 0.00 O ATOM 0 H TYR A 118 -5.151 -7.680 -10.379 1.00 0.00 H new ATOM 0 HA TYR A 118 -3.429 -9.232 -12.150 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -2.906 -6.830 -10.332 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -1.775 -7.446 -11.521 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -3.505 -8.158 -13.798 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -3.704 -4.777 -11.157 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -4.647 -6.847 -15.566 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -4.849 -3.464 -12.923 1.00 0.00 H new ATOM 0 HH TYR A 118 -5.668 -3.446 -15.003 1.00 0.00 H new ATOM 1933 N LEU A 119 -2.629 -9.082 -8.936 1.00 0.00 N ATOM 1934 CA LEU A 119 -1.909 -9.847 -7.879 1.00 0.00 C ATOM 1935 C LEU A 119 -2.899 -10.764 -7.148 1.00 0.00 C ATOM 1936 O LEU A 119 -3.774 -10.289 -6.452 1.00 0.00 O ATOM 1937 CB LEU A 119 -1.293 -8.867 -6.877 1.00 0.00 C ATOM 1938 CG LEU A 119 -0.200 -9.576 -6.076 1.00 0.00 C ATOM 1939 CD1 LEU A 119 0.484 -8.573 -5.145 1.00 0.00 C ATOM 1940 CD2 LEU A 119 -0.825 -10.697 -5.243 1.00 0.00 C ATOM 0 H LEU A 119 -3.017 -8.188 -8.636 1.00 0.00 H new ATOM 0 HA LEU A 119 -1.123 -10.449 -8.335 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -0.875 -8.008 -7.402 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -2.062 -8.486 -6.205 1.00 0.00 H new ATOM 0 HG LEU A 119 0.536 -9.997 -6.761 1.00 0.00 H new ATOM 0 HD11 LEU A 119 1.263 -9.079 -4.574 1.00 0.00 H new ATOM 0 HD12 LEU A 119 0.929 -7.773 -5.736 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -0.252 -8.152 -4.460 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -0.047 -11.203 -4.672 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -1.561 -10.275 -4.559 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -1.313 -11.413 -5.904 1.00 0.00 H new ATOM 1952 N PRO A 120 -2.735 -12.053 -7.324 1.00 0.00 N ATOM 1953 CA PRO A 120 -3.608 -13.055 -6.687 1.00 0.00 C ATOM 1954 C PRO A 120 -3.221 -13.243 -5.217 1.00 0.00 C ATOM 1955 O PRO A 120 -2.081 -13.059 -4.837 1.00 0.00 O ATOM 1956 CB PRO A 120 -3.339 -14.330 -7.491 1.00 0.00 C ATOM 1957 CG PRO A 120 -1.950 -14.147 -8.147 1.00 0.00 C ATOM 1958 CD PRO A 120 -1.670 -12.632 -8.170 1.00 0.00 C ATOM 0 HA PRO A 120 -4.660 -12.771 -6.689 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -3.350 -15.207 -6.844 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -4.109 -14.482 -8.247 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -1.182 -14.674 -7.581 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -1.941 -14.558 -9.157 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -0.680 -12.404 -7.775 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -1.708 -12.235 -9.185 1.00 0.00 H new ATOM 1966 N LEU A 121 -4.160 -13.609 -4.389 1.00 0.00 N ATOM 1967 CA LEU A 121 -3.845 -13.810 -2.946 1.00 0.00 C ATOM 1968 C LEU A 121 -4.516 -15.092 -2.451 1.00 0.00 C ATOM 1969 O LEU A 121 -4.747 -15.267 -1.271 1.00 0.00 O ATOM 1970 CB LEU A 121 -4.365 -12.617 -2.140 1.00 0.00 C ATOM 1971 CG LEU A 121 -3.190 -11.895 -1.478 1.00 0.00 C ATOM 1972 CD1 LEU A 121 -2.623 -12.762 -0.353 1.00 0.00 C ATOM 1973 CD2 LEU A 121 -2.099 -11.639 -2.521 1.00 0.00 C ATOM 0 H LEU A 121 -5.132 -13.778 -4.649 1.00 0.00 H new ATOM 0 HA LEU A 121 -2.766 -13.893 -2.817 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -4.905 -11.931 -2.793 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -5.070 -12.957 -1.382 1.00 0.00 H new ATOM 0 HG LEU A 121 -3.533 -10.946 -1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -1.786 -12.246 0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -3.399 -12.947 0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -2.279 -13.712 -0.763 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -1.260 -11.124 -2.052 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -1.758 -12.589 -2.931 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -2.501 -11.021 -3.324 1.00 0.00 H new