USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 855 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 104 SER OG : rot -76:sc= 1.85 USER MOD Set 1.2: A 111 GLN : amide:sc= 0.669 K(o=3.8,f=-1.3) USER MOD Set 1.3: A 113 TYR OH : rot -20:sc= 1.26 USER MOD Set 2.1: A 59 LYS NZ :NH3+ -131:sc= 0.0113 (180deg=0) USER MOD Set 2.2: A 108 THR OG1 : rot 60:sc= 1.22 USER MOD Set 3.1: A 80 HIS : no HD1:sc= 0.862 K(o=1.6,f=-7.8!) USER MOD Set 3.2: A 129 HIS : no HD1:sc= -0.565 K(o=1.6,f=-4.6) USER MOD Set 3.3: A 145 SER OG : rot 83:sc= 1.27 USER MOD Set 4.1: A 61 THR OG1 : rot -146:sc= 0.703 USER MOD Set 4.2: A 64 GLN : amide:sc= 0.641 X(o=1.3,f=1.1) USER MOD Single : A 44 GLN : amide:sc= 0.703 K(o=0.7,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 178:sc= 1.15 (180deg=1.15) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -172:sc= 2.23 (180deg=2.01) USER MOD Single : A 66 GLN : amide:sc= -1.21! C(o=-1.2!,f=-6.5!) USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -104:sc= 0.44 USER MOD Single : A 71 ASN : amide:sc= -0.172 K(o=-0.17,f=-3!) USER MOD Single : A 75 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.11) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= 0.234 K(o=0.23,f=-2.8!) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= 0.0314 X(o=0.031,f=0) USER MOD Single : A 115 ASN : amide:sc= -0.191 K(o=-0.19,f=-1.7!) USER MOD Single : A 122 CYS SG : rot -37:sc= -2.24 USER MOD Single : A 127 GLN : amide:sc= 0.913 K(o=0.91,f=-0.091) USER MOD Single : A 128 MET CE :methyl 171:sc= -1.09 (180deg=-1.27) USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 139 LYS NZ :NH3+ 172:sc= 1.23 (180deg=1.15) USER MOD Single : A 140 LYS NZ :NH3+ -104:sc= 0.738 (180deg=-0.378) USER MOD Single : A 144 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 128 N ALA A 42 -1.826 -3.726 -17.764 1.00 0.80 N ATOM 129 CA ALA A 42 -2.323 -2.733 -16.819 1.00 0.67 C ATOM 130 C ALA A 42 -3.767 -2.997 -16.331 1.00 0.57 C ATOM 131 O ALA A 42 -4.109 -2.672 -15.197 1.00 0.52 O ATOM 132 CB ALA A 42 -2.221 -1.396 -17.550 1.00 0.85 C ATOM 0 HA ALA A 42 -1.730 -2.760 -15.905 1.00 0.67 H new ATOM 0 HB1 ALA A 42 -2.578 -0.598 -16.900 1.00 0.85 H new ATOM 0 HB2 ALA A 42 -1.182 -1.207 -17.819 1.00 0.85 H new ATOM 0 HB3 ALA A 42 -2.830 -1.428 -18.454 1.00 0.85 H new ATOM 138 N GLU A 43 -4.606 -3.637 -17.148 1.00 0.62 N ATOM 139 CA GLU A 43 -5.971 -4.063 -16.790 1.00 0.63 C ATOM 140 C GLU A 43 -6.032 -5.228 -15.780 1.00 0.52 C ATOM 141 O GLU A 43 -7.010 -5.346 -15.042 1.00 0.57 O ATOM 142 CB GLU A 43 -6.736 -4.396 -18.080 1.00 0.77 C ATOM 143 CG GLU A 43 -6.102 -5.535 -18.892 1.00 0.83 C ATOM 144 CD GLU A 43 -6.770 -5.649 -20.260 1.00 1.72 C ATOM 145 OE1 GLU A 43 -7.817 -6.329 -20.351 1.00 3.30 O ATOM 146 OE2 GLU A 43 -6.275 -5.034 -21.237 1.00 2.10 O ATOM 0 H GLU A 43 -4.353 -3.883 -18.105 1.00 0.62 H new ATOM 0 HA GLU A 43 -6.444 -3.231 -16.269 1.00 0.63 H new ATOM 0 HB2 GLU A 43 -7.760 -4.668 -17.825 1.00 0.77 H new ATOM 0 HB3 GLU A 43 -6.789 -3.503 -18.702 1.00 0.77 H new ATOM 0 HG2 GLU A 43 -5.035 -5.352 -19.016 1.00 0.83 H new ATOM 0 HG3 GLU A 43 -6.203 -6.476 -18.351 1.00 0.83 H new ATOM 153 N GLN A 44 -4.988 -6.062 -15.692 1.00 0.47 N ATOM 154 CA GLN A 44 -4.833 -7.073 -14.639 1.00 0.45 C ATOM 155 C GLN A 44 -4.411 -6.416 -13.327 1.00 0.37 C ATOM 156 O GLN A 44 -5.009 -6.678 -12.285 1.00 0.41 O ATOM 157 CB GLN A 44 -3.780 -8.099 -15.083 1.00 0.52 C ATOM 158 CG GLN A 44 -3.206 -9.026 -13.996 1.00 0.68 C ATOM 159 CD GLN A 44 -4.214 -9.996 -13.399 1.00 0.79 C ATOM 160 OE1 GLN A 44 -4.250 -11.166 -13.752 1.00 1.15 O ATOM 161 NE2 GLN A 44 -5.060 -9.556 -12.496 1.00 0.77 N ATOM 0 H GLN A 44 -4.217 -6.053 -16.360 1.00 0.47 H new ATOM 0 HA GLN A 44 -5.787 -7.575 -14.475 1.00 0.45 H new ATOM 0 HB2 GLN A 44 -4.221 -8.722 -15.861 1.00 0.52 H new ATOM 0 HB3 GLN A 44 -2.951 -7.558 -15.539 1.00 0.52 H new ATOM 0 HG2 GLN A 44 -2.380 -9.596 -14.421 1.00 0.68 H new ATOM 0 HG3 GLN A 44 -2.792 -8.413 -13.195 1.00 0.68 H new ATOM 0 HE21 GLN A 44 -5.030 -8.580 -12.202 1.00 0.77 H new ATOM 0 HE22 GLN A 44 -5.747 -10.190 -12.089 1.00 0.77 H new ATOM 170 N LEU A 45 -3.374 -5.579 -13.359 1.00 0.32 N ATOM 171 CA LEU A 45 -2.877 -4.866 -12.184 1.00 0.27 C ATOM 172 C LEU A 45 -3.946 -3.932 -11.596 1.00 0.26 C ATOM 173 O LEU A 45 -4.060 -3.840 -10.377 1.00 0.27 O ATOM 174 CB LEU A 45 -1.625 -4.100 -12.609 1.00 0.29 C ATOM 175 CG LEU A 45 -0.321 -4.913 -12.722 1.00 0.37 C ATOM 176 CD1 LEU A 45 0.280 -5.145 -11.333 1.00 0.40 C ATOM 177 CD2 LEU A 45 -0.420 -6.270 -13.424 1.00 0.53 C ATOM 0 H LEU A 45 -2.851 -5.375 -14.210 1.00 0.32 H new ATOM 0 HA LEU A 45 -2.631 -5.571 -11.390 1.00 0.27 H new ATOM 0 HB2 LEU A 45 -1.822 -3.636 -13.576 1.00 0.29 H new ATOM 0 HB3 LEU A 45 -1.462 -3.292 -11.895 1.00 0.29 H new ATOM 0 HG LEU A 45 0.310 -4.292 -13.358 1.00 0.37 H new ATOM 0 HD11 LEU A 45 1.201 -5.721 -11.427 1.00 0.40 H new ATOM 0 HD12 LEU A 45 0.498 -4.185 -10.866 1.00 0.40 H new ATOM 0 HD13 LEU A 45 -0.431 -5.695 -10.716 1.00 0.40 H new ATOM 0 HD21 LEU A 45 0.561 -6.744 -13.440 1.00 0.53 H new ATOM 0 HD22 LEU A 45 -1.122 -6.907 -12.886 1.00 0.53 H new ATOM 0 HD23 LEU A 45 -0.770 -6.126 -14.446 1.00 0.53 H new ATOM 189 N ASP A 46 -4.798 -3.344 -12.441 1.00 0.30 N ATOM 190 CA ASP A 46 -5.975 -2.564 -12.020 1.00 0.34 C ATOM 191 C ASP A 46 -6.960 -3.428 -11.194 1.00 0.36 C ATOM 192 O ASP A 46 -7.466 -3.051 -10.133 1.00 0.37 O ATOM 193 CB ASP A 46 -6.679 -2.035 -13.279 1.00 0.48 C ATOM 194 CG ASP A 46 -7.941 -1.206 -13.007 1.00 0.83 C ATOM 195 OD1 ASP A 46 -8.019 -0.514 -11.965 1.00 1.86 O ATOM 196 OD2 ASP A 46 -8.847 -1.236 -13.879 1.00 2.16 O ATOM 0 H ASP A 46 -4.691 -3.395 -13.454 1.00 0.30 H new ATOM 0 HA ASP A 46 -5.647 -1.740 -11.386 1.00 0.34 H new ATOM 0 HB2 ASP A 46 -5.974 -1.424 -13.843 1.00 0.48 H new ATOM 0 HB3 ASP A 46 -6.946 -2.881 -13.912 1.00 0.48 H new ATOM 201 N ALA A 47 -7.180 -4.659 -11.661 1.00 0.41 N ATOM 202 CA ALA A 47 -8.080 -5.618 -11.020 1.00 0.48 C ATOM 203 C ALA A 47 -7.462 -6.142 -9.716 1.00 0.49 C ATOM 204 O ALA A 47 -8.179 -6.432 -8.759 1.00 0.60 O ATOM 205 CB ALA A 47 -8.402 -6.745 -12.011 1.00 0.53 C ATOM 0 H ALA A 47 -6.733 -5.021 -12.504 1.00 0.41 H new ATOM 0 HA ALA A 47 -9.017 -5.131 -10.748 1.00 0.48 H new ATOM 0 HB1 ALA A 47 -9.073 -7.463 -11.540 1.00 0.53 H new ATOM 0 HB2 ALA A 47 -8.883 -6.326 -12.895 1.00 0.53 H new ATOM 0 HB3 ALA A 47 -7.480 -7.247 -12.303 1.00 0.53 H new ATOM 211 N LEU A 48 -6.130 -6.190 -9.659 1.00 0.43 N ATOM 212 CA LEU A 48 -5.351 -6.511 -8.470 1.00 0.42 C ATOM 213 C LEU A 48 -5.442 -5.410 -7.401 1.00 0.39 C ATOM 214 O LEU A 48 -5.725 -5.719 -6.247 1.00 0.45 O ATOM 215 CB LEU A 48 -3.907 -6.791 -8.913 1.00 0.41 C ATOM 216 CG LEU A 48 -3.442 -8.237 -8.676 1.00 0.57 C ATOM 217 CD1 LEU A 48 -2.415 -8.652 -9.730 1.00 0.51 C ATOM 218 CD2 LEU A 48 -2.801 -8.347 -7.302 1.00 1.10 C ATOM 0 H LEU A 48 -5.545 -5.998 -10.473 1.00 0.43 H new ATOM 0 HA LEU A 48 -5.759 -7.400 -7.988 1.00 0.42 H new ATOM 0 HB2 LEU A 48 -3.814 -6.561 -9.974 1.00 0.41 H new ATOM 0 HB3 LEU A 48 -3.238 -6.115 -8.380 1.00 0.41 H new ATOM 0 HG LEU A 48 -4.310 -8.892 -8.742 1.00 0.57 H new ATOM 0 HD11 LEU A 48 -2.098 -9.678 -9.545 1.00 0.51 H new ATOM 0 HD12 LEU A 48 -2.863 -8.584 -10.721 1.00 0.51 H new ATOM 0 HD13 LEU A 48 -1.551 -7.990 -9.676 1.00 0.51 H new ATOM 0 HD21 LEU A 48 -2.472 -9.373 -7.135 1.00 1.10 H new ATOM 0 HD22 LEU A 48 -1.943 -7.677 -7.246 1.00 1.10 H new ATOM 0 HD23 LEU A 48 -3.528 -8.070 -6.538 1.00 1.10 H new ATOM 230 N VAL A 49 -5.301 -4.128 -7.759 1.00 0.34 N ATOM 231 CA VAL A 49 -5.546 -3.023 -6.808 1.00 0.35 C ATOM 232 C VAL A 49 -7.025 -2.843 -6.458 1.00 0.37 C ATOM 233 O VAL A 49 -7.324 -2.182 -5.468 1.00 0.50 O ATOM 234 CB VAL A 49 -4.948 -1.681 -7.268 1.00 0.38 C ATOM 235 CG1 VAL A 49 -3.441 -1.726 -7.465 1.00 0.40 C ATOM 236 CG2 VAL A 49 -5.551 -1.184 -8.575 1.00 0.35 C ATOM 0 H VAL A 49 -5.021 -3.826 -8.692 1.00 0.34 H new ATOM 0 HA VAL A 49 -5.023 -3.330 -5.902 1.00 0.35 H new ATOM 0 HB VAL A 49 -5.193 -1.001 -6.452 1.00 0.38 H new ATOM 0 HG11 VAL A 49 -3.087 -0.747 -7.789 1.00 0.40 H new ATOM 0 HG12 VAL A 49 -2.959 -1.993 -6.525 1.00 0.40 H new ATOM 0 HG13 VAL A 49 -3.195 -2.470 -8.223 1.00 0.40 H new ATOM 0 HG21 VAL A 49 -5.091 -0.235 -8.850 1.00 0.35 H new ATOM 0 HG22 VAL A 49 -5.369 -1.916 -9.361 1.00 0.35 H new ATOM 0 HG23 VAL A 49 -6.625 -1.045 -8.450 1.00 0.35 H new ATOM 246 N LYS A 50 -7.961 -3.438 -7.214 1.00 0.38 N ATOM 247 CA LYS A 50 -9.392 -3.457 -6.859 1.00 0.43 C ATOM 248 C LYS A 50 -9.894 -4.594 -5.970 1.00 0.51 C ATOM 249 O LYS A 50 -11.046 -4.581 -5.533 1.00 0.72 O ATOM 250 CB LYS A 50 -10.211 -3.368 -8.150 1.00 0.54 C ATOM 251 CG LYS A 50 -10.861 -1.998 -8.181 1.00 1.04 C ATOM 252 CD LYS A 50 -9.850 -0.833 -8.205 1.00 1.06 C ATOM 253 CE LYS A 50 -10.272 0.377 -9.047 1.00 2.43 C ATOM 254 NZ LYS A 50 -10.301 0.065 -10.495 1.00 3.92 N ATOM 0 H LYS A 50 -7.749 -3.919 -8.088 1.00 0.38 H new ATOM 0 HA LYS A 50 -9.530 -2.590 -6.213 1.00 0.43 H new ATOM 0 HB2 LYS A 50 -9.571 -3.509 -9.021 1.00 0.54 H new ATOM 0 HB3 LYS A 50 -10.967 -4.152 -8.180 1.00 0.54 H new ATOM 0 HG2 LYS A 50 -11.502 -1.929 -9.060 1.00 1.04 H new ATOM 0 HG3 LYS A 50 -11.505 -1.891 -7.308 1.00 1.04 H new ATOM 0 HD2 LYS A 50 -9.677 -0.501 -7.181 1.00 1.06 H new ATOM 0 HD3 LYS A 50 -8.898 -1.206 -8.584 1.00 1.06 H new ATOM 0 HE2 LYS A 50 -11.259 0.713 -8.729 1.00 2.43 H new ATOM 0 HE3 LYS A 50 -9.582 1.201 -8.868 1.00 2.43 H new ATOM 0 HZ1 LYS A 50 -10.624 0.900 -11.024 1.00 3.92 H new ATOM 0 HZ2 LYS A 50 -9.346 -0.198 -10.813 1.00 3.92 H new ATOM 0 HZ3 LYS A 50 -10.953 -0.727 -10.667 1.00 3.92 H new ATOM 268 N LYS A 51 -9.033 -5.559 -5.676 1.00 0.43 N ATOM 269 CA LYS A 51 -9.322 -6.734 -4.843 1.00 0.48 C ATOM 270 C LYS A 51 -9.462 -6.417 -3.360 1.00 0.78 C ATOM 271 O LYS A 51 -10.001 -7.240 -2.620 1.00 1.20 O ATOM 272 CB LYS A 51 -8.246 -7.792 -5.096 1.00 0.58 C ATOM 273 CG LYS A 51 -8.669 -8.683 -6.270 1.00 0.77 C ATOM 274 CD LYS A 51 -7.492 -9.524 -6.754 1.00 1.40 C ATOM 275 CE LYS A 51 -7.765 -10.192 -8.107 1.00 0.90 C ATOM 276 NZ LYS A 51 -8.805 -11.243 -8.014 1.00 1.19 N ATOM 0 H LYS A 51 -8.074 -5.551 -6.022 1.00 0.43 H new ATOM 0 HA LYS A 51 -10.300 -7.117 -5.135 1.00 0.48 H new ATOM 0 HB2 LYS A 51 -7.293 -7.311 -5.316 1.00 0.58 H new ATOM 0 HB3 LYS A 51 -8.099 -8.397 -4.201 1.00 0.58 H new ATOM 0 HG2 LYS A 51 -9.487 -9.335 -5.963 1.00 0.77 H new ATOM 0 HG3 LYS A 51 -9.042 -8.065 -7.087 1.00 0.77 H new ATOM 0 HD2 LYS A 51 -6.608 -8.892 -6.836 1.00 1.40 H new ATOM 0 HD3 LYS A 51 -7.268 -10.291 -6.012 1.00 1.40 H new ATOM 0 HE2 LYS A 51 -8.079 -9.436 -8.827 1.00 0.90 H new ATOM 0 HE3 LYS A 51 -6.842 -10.630 -8.487 1.00 0.90 H new ATOM 0 HZ1 LYS A 51 -8.956 -11.666 -8.952 1.00 1.19 H new ATOM 0 HZ2 LYS A 51 -8.496 -11.979 -7.348 1.00 1.19 H new ATOM 0 HZ3 LYS A 51 -9.694 -10.822 -7.677 1.00 1.19 H new ATOM 290 N ASP A 52 -9.020 -5.239 -2.932 1.00 0.60 N ATOM 291 CA ASP A 52 -9.410 -4.646 -1.653 1.00 0.55 C ATOM 292 C ASP A 52 -9.504 -3.120 -1.769 1.00 0.48 C ATOM 293 O ASP A 52 -9.275 -2.541 -2.829 1.00 0.44 O ATOM 294 CB ASP A 52 -8.399 -5.071 -0.578 1.00 0.55 C ATOM 295 CG ASP A 52 -9.065 -5.277 0.783 1.00 0.64 C ATOM 296 OD1 ASP A 52 -9.272 -4.264 1.483 1.00 1.91 O ATOM 297 OD2 ASP A 52 -9.439 -6.422 1.125 1.00 1.69 O ATOM 0 H ASP A 52 -8.373 -4.661 -3.468 1.00 0.60 H new ATOM 0 HA ASP A 52 -10.399 -5.004 -1.367 1.00 0.55 H new ATOM 0 HB2 ASP A 52 -7.909 -5.995 -0.886 1.00 0.55 H new ATOM 0 HB3 ASP A 52 -7.622 -4.312 -0.490 1.00 0.55 H new ATOM 302 N LYS A 53 -9.796 -2.452 -0.654 1.00 0.50 N ATOM 303 CA LYS A 53 -9.721 -0.987 -0.537 1.00 0.47 C ATOM 304 C LYS A 53 -8.390 -0.460 -0.033 1.00 0.39 C ATOM 305 O LYS A 53 -8.155 0.741 -0.094 1.00 0.35 O ATOM 306 CB LYS A 53 -10.871 -0.409 0.271 1.00 0.49 C ATOM 307 CG LYS A 53 -11.687 -1.358 1.131 1.00 0.82 C ATOM 308 CD LYS A 53 -10.996 -1.720 2.449 1.00 0.57 C ATOM 309 CE LYS A 53 -11.695 -2.896 3.136 1.00 0.90 C ATOM 310 NZ LYS A 53 -10.723 -3.774 3.827 1.00 1.58 N ATOM 0 H LYS A 53 -10.095 -2.913 0.205 1.00 0.50 H new ATOM 0 HA LYS A 53 -9.812 -0.636 -1.565 1.00 0.47 H new ATOM 0 HB2 LYS A 53 -10.465 0.366 0.922 1.00 0.49 H new ATOM 0 HB3 LYS A 53 -11.553 0.082 -0.423 1.00 0.49 H new ATOM 0 HG2 LYS A 53 -12.653 -0.903 1.348 1.00 0.82 H new ATOM 0 HG3 LYS A 53 -11.884 -2.271 0.568 1.00 0.82 H new ATOM 0 HD2 LYS A 53 -9.953 -1.974 2.258 1.00 0.57 H new ATOM 0 HD3 LYS A 53 -10.997 -0.855 3.112 1.00 0.57 H new ATOM 0 HE2 LYS A 53 -12.422 -2.519 3.855 1.00 0.90 H new ATOM 0 HE3 LYS A 53 -12.248 -3.475 2.396 1.00 0.90 H new ATOM 0 HZ1 LYS A 53 -11.208 -4.630 4.166 1.00 1.58 H new ATOM 0 HZ2 LYS A 53 -9.967 -4.043 3.166 1.00 1.58 H new ATOM 0 HZ3 LYS A 53 -10.311 -3.267 4.636 1.00 1.58 H new ATOM 324 N VAL A 54 -7.545 -1.354 0.466 1.00 0.42 N ATOM 325 CA VAL A 54 -6.219 -1.064 1.025 1.00 0.39 C ATOM 326 C VAL A 54 -5.319 -2.167 0.509 1.00 0.48 C ATOM 327 O VAL A 54 -5.057 -3.172 1.168 1.00 0.84 O ATOM 328 CB VAL A 54 -6.186 -0.981 2.570 1.00 0.32 C ATOM 329 CG1 VAL A 54 -5.229 0.098 3.056 1.00 0.36 C ATOM 330 CG2 VAL A 54 -7.552 -0.748 3.194 1.00 0.32 C ATOM 0 H VAL A 54 -7.771 -2.348 0.496 1.00 0.42 H new ATOM 0 HA VAL A 54 -5.892 -0.073 0.711 1.00 0.39 H new ATOM 0 HB VAL A 54 -5.833 -1.960 2.895 1.00 0.32 H new ATOM 0 HG11 VAL A 54 -5.234 0.125 4.146 1.00 0.36 H new ATOM 0 HG12 VAL A 54 -4.222 -0.123 2.703 1.00 0.36 H new ATOM 0 HG13 VAL A 54 -5.545 1.066 2.668 1.00 0.36 H new ATOM 0 HG21 VAL A 54 -7.453 -0.701 4.278 1.00 0.32 H new ATOM 0 HG22 VAL A 54 -7.965 0.191 2.826 1.00 0.32 H new ATOM 0 HG23 VAL A 54 -8.219 -1.567 2.926 1.00 0.32 H new ATOM 340 N VAL A 55 -4.944 -2.041 -0.752 1.00 0.31 N ATOM 341 CA VAL A 55 -4.121 -3.079 -1.371 1.00 0.30 C ATOM 342 C VAL A 55 -2.659 -2.677 -1.245 1.00 0.28 C ATOM 343 O VAL A 55 -2.250 -1.626 -1.743 1.00 0.27 O ATOM 344 CB VAL A 55 -4.561 -3.429 -2.801 1.00 0.32 C ATOM 345 CG1 VAL A 55 -4.052 -4.830 -3.100 1.00 0.97 C ATOM 346 CG2 VAL A 55 -6.071 -3.602 -2.955 1.00 0.99 C ATOM 0 H VAL A 55 -5.185 -1.256 -1.357 1.00 0.31 H new ATOM 0 HA VAL A 55 -4.262 -4.019 -0.837 1.00 0.30 H new ATOM 0 HB VAL A 55 -4.194 -2.622 -3.434 1.00 0.32 H new ATOM 0 HG11 VAL A 55 -4.345 -5.116 -4.110 1.00 0.97 H new ATOM 0 HG12 VAL A 55 -2.965 -4.847 -3.019 1.00 0.97 H new ATOM 0 HG13 VAL A 55 -4.480 -5.533 -2.385 1.00 0.97 H new ATOM 0 HG21 VAL A 55 -6.305 -3.848 -3.991 1.00 0.99 H new ATOM 0 HG22 VAL A 55 -6.413 -4.407 -2.305 1.00 0.99 H new ATOM 0 HG23 VAL A 55 -6.573 -2.675 -2.679 1.00 0.99 H new ATOM 356 N VAL A 56 -1.891 -3.492 -0.519 1.00 0.28 N ATOM 357 CA VAL A 56 -0.503 -3.210 -0.135 1.00 0.28 C ATOM 358 C VAL A 56 0.443 -4.162 -0.840 1.00 0.27 C ATOM 359 O VAL A 56 0.083 -5.290 -1.150 1.00 0.29 O ATOM 360 CB VAL A 56 -0.344 -3.260 1.393 1.00 0.26 C ATOM 361 CG1 VAL A 56 1.027 -2.859 1.894 1.00 0.28 C ATOM 362 CG2 VAL A 56 -1.243 -2.203 2.017 1.00 0.31 C ATOM 0 H VAL A 56 -2.225 -4.391 -0.172 1.00 0.28 H new ATOM 0 HA VAL A 56 -0.244 -2.200 -0.452 1.00 0.28 H new ATOM 0 HB VAL A 56 -0.564 -4.294 1.657 1.00 0.26 H new ATOM 0 HG11 VAL A 56 1.050 -2.923 2.982 1.00 0.28 H new ATOM 0 HG12 VAL A 56 1.778 -3.529 1.475 1.00 0.28 H new ATOM 0 HG13 VAL A 56 1.242 -1.836 1.586 1.00 0.28 H new ATOM 0 HG21 VAL A 56 -1.138 -2.230 3.102 1.00 0.31 H new ATOM 0 HG22 VAL A 56 -0.956 -1.218 1.649 1.00 0.31 H new ATOM 0 HG23 VAL A 56 -2.280 -2.403 1.748 1.00 0.31 H new ATOM 372 N PHE A 57 1.647 -3.685 -1.118 1.00 0.25 N ATOM 373 CA PHE A 57 2.523 -4.252 -2.135 1.00 0.26 C ATOM 374 C PHE A 57 3.972 -4.170 -1.685 1.00 0.26 C ATOM 375 O PHE A 57 4.516 -3.070 -1.559 1.00 0.28 O ATOM 376 CB PHE A 57 2.331 -3.377 -3.365 1.00 0.30 C ATOM 377 CG PHE A 57 1.081 -3.702 -4.150 1.00 0.27 C ATOM 378 CD1 PHE A 57 1.062 -4.762 -5.078 1.00 1.79 C ATOM 379 CD2 PHE A 57 -0.075 -2.944 -3.929 1.00 1.60 C ATOM 380 CE1 PHE A 57 -0.111 -5.033 -5.810 1.00 1.76 C ATOM 381 CE2 PHE A 57 -1.247 -3.212 -4.656 1.00 1.64 C ATOM 382 CZ PHE A 57 -1.262 -4.250 -5.604 1.00 0.30 C ATOM 0 H PHE A 57 2.050 -2.881 -0.637 1.00 0.25 H new ATOM 0 HA PHE A 57 2.290 -5.300 -2.326 1.00 0.26 H new ATOM 0 HB2 PHE A 57 2.294 -2.333 -3.055 1.00 0.30 H new ATOM 0 HB3 PHE A 57 3.198 -3.486 -4.017 1.00 0.30 H new ATOM 0 HD1 PHE A 57 1.945 -5.366 -5.228 1.00 1.79 H new ATOM 0 HD2 PHE A 57 -0.066 -2.150 -3.197 1.00 1.60 H new ATOM 0 HE1 PHE A 57 -0.127 -5.840 -6.528 1.00 1.76 H new ATOM 0 HE2 PHE A 57 -2.135 -2.621 -4.487 1.00 1.64 H new ATOM 0 HZ PHE A 57 -2.158 -4.447 -6.175 1.00 0.30 H new ATOM 392 N LEU A 58 4.580 -5.316 -1.377 1.00 0.27 N ATOM 393 CA LEU A 58 5.919 -5.349 -0.796 1.00 0.26 C ATOM 394 C LEU A 58 6.636 -6.658 -1.208 1.00 0.30 C ATOM 395 O LEU A 58 5.991 -7.684 -1.454 1.00 0.34 O ATOM 396 CB LEU A 58 5.849 -5.058 0.743 1.00 0.30 C ATOM 397 CG LEU A 58 4.442 -5.034 1.430 1.00 0.24 C ATOM 398 CD1 LEU A 58 4.005 -6.392 1.964 1.00 0.24 C ATOM 399 CD2 LEU A 58 4.423 -3.992 2.534 1.00 0.38 C ATOM 0 H LEU A 58 4.163 -6.236 -1.522 1.00 0.27 H new ATOM 0 HA LEU A 58 6.544 -4.550 -1.194 1.00 0.26 H new ATOM 0 HB2 LEU A 58 6.455 -5.808 1.251 1.00 0.30 H new ATOM 0 HB3 LEU A 58 6.322 -4.092 0.921 1.00 0.30 H new ATOM 0 HG LEU A 58 3.719 -4.768 0.659 1.00 0.24 H new ATOM 0 HD11 LEU A 58 3.022 -6.302 2.427 1.00 0.24 H new ATOM 0 HD12 LEU A 58 3.955 -7.107 1.143 1.00 0.24 H new ATOM 0 HD13 LEU A 58 4.724 -6.740 2.705 1.00 0.24 H new ATOM 0 HD21 LEU A 58 3.441 -3.981 3.007 1.00 0.38 H new ATOM 0 HD22 LEU A 58 5.182 -4.236 3.278 1.00 0.38 H new ATOM 0 HD23 LEU A 58 4.633 -3.010 2.111 1.00 0.38 H new ATOM 411 N LYS A 59 7.973 -6.662 -1.320 1.00 0.33 N ATOM 412 CA LYS A 59 8.750 -7.897 -1.578 1.00 0.40 C ATOM 413 C LYS A 59 8.975 -8.636 -0.255 1.00 0.43 C ATOM 414 O LYS A 59 10.100 -8.849 0.194 1.00 0.50 O ATOM 415 CB LYS A 59 10.050 -7.572 -2.345 1.00 0.49 C ATOM 416 CG LYS A 59 10.957 -6.492 -1.717 1.00 0.59 C ATOM 417 CD LYS A 59 12.382 -6.507 -2.290 1.00 1.05 C ATOM 418 CE LYS A 59 12.389 -6.354 -3.814 1.00 1.38 C ATOM 419 NZ LYS A 59 13.756 -6.168 -4.346 1.00 1.92 N ATOM 0 H LYS A 59 8.546 -5.823 -1.236 1.00 0.33 H new ATOM 0 HA LYS A 59 8.192 -8.571 -2.228 1.00 0.40 H new ATOM 0 HB2 LYS A 59 10.628 -8.490 -2.444 1.00 0.49 H new ATOM 0 HB3 LYS A 59 9.783 -7.253 -3.352 1.00 0.49 H new ATOM 0 HG2 LYS A 59 10.514 -5.510 -1.883 1.00 0.59 H new ATOM 0 HG3 LYS A 59 11.002 -6.644 -0.639 1.00 0.59 H new ATOM 0 HD2 LYS A 59 12.961 -5.700 -1.842 1.00 1.05 H new ATOM 0 HD3 LYS A 59 12.873 -7.441 -2.017 1.00 1.05 H new ATOM 0 HE2 LYS A 59 11.940 -7.237 -4.269 1.00 1.38 H new ATOM 0 HE3 LYS A 59 11.771 -5.501 -4.096 1.00 1.38 H new ATOM 0 HZ1 LYS A 59 13.769 -5.355 -4.994 1.00 1.92 H new ATOM 0 HZ2 LYS A 59 14.414 -5.994 -3.560 1.00 1.92 H new ATOM 0 HZ3 LYS A 59 14.048 -7.024 -4.859 1.00 1.92 H new ATOM 433 N GLY A 60 7.865 -9.051 0.351 1.00 0.42 N ATOM 434 CA GLY A 60 7.790 -9.208 1.798 1.00 0.50 C ATOM 435 C GLY A 60 6.368 -9.357 2.338 1.00 0.56 C ATOM 436 O GLY A 60 5.411 -9.527 1.583 1.00 0.73 O ATOM 0 H GLY A 60 7.003 -9.285 -0.142 1.00 0.42 H new ATOM 0 HA2 GLY A 60 8.371 -10.084 2.088 1.00 0.50 H new ATOM 0 HA3 GLY A 60 8.258 -8.345 2.271 1.00 0.50 H new ATOM 440 N THR A 61 6.237 -9.305 3.658 1.00 0.59 N ATOM 441 CA THR A 61 4.980 -9.524 4.404 1.00 0.55 C ATOM 442 C THR A 61 4.863 -8.551 5.586 1.00 0.52 C ATOM 443 O THR A 61 5.874 -8.006 6.039 1.00 0.56 O ATOM 444 CB THR A 61 4.910 -10.979 4.911 1.00 0.63 C ATOM 445 OG1 THR A 61 6.076 -11.333 5.612 1.00 0.84 O ATOM 446 CG2 THR A 61 4.756 -11.997 3.792 1.00 0.63 C ATOM 0 H THR A 61 7.026 -9.102 4.271 1.00 0.59 H new ATOM 0 HA THR A 61 4.147 -9.339 3.725 1.00 0.55 H new ATOM 0 HB THR A 61 4.031 -11.004 5.554 1.00 0.63 H new ATOM 0 HG1 THR A 61 6.276 -12.280 5.457 1.00 0.84 H new ATOM 0 HG21 THR A 61 4.713 -13.000 4.216 1.00 0.63 H new ATOM 0 HG22 THR A 61 3.837 -11.796 3.241 1.00 0.63 H new ATOM 0 HG23 THR A 61 5.607 -11.925 3.115 1.00 0.63 H new ATOM 454 N PRO A 62 3.646 -8.298 6.105 1.00 0.47 N ATOM 455 CA PRO A 62 3.395 -7.246 7.097 1.00 0.53 C ATOM 456 C PRO A 62 4.088 -7.445 8.455 1.00 0.86 C ATOM 457 O PRO A 62 4.229 -6.488 9.216 1.00 1.04 O ATOM 458 CB PRO A 62 1.865 -7.215 7.254 1.00 0.40 C ATOM 459 CG PRO A 62 1.416 -8.608 6.828 1.00 0.53 C ATOM 460 CD PRO A 62 2.385 -8.899 5.695 1.00 0.45 C ATOM 0 HA PRO A 62 3.819 -6.306 6.745 1.00 0.53 H new ATOM 0 HB2 PRO A 62 1.575 -7.000 8.282 1.00 0.40 H new ATOM 0 HB3 PRO A 62 1.416 -6.443 6.628 1.00 0.40 H new ATOM 0 HG2 PRO A 62 1.501 -9.333 7.638 1.00 0.53 H new ATOM 0 HG3 PRO A 62 0.378 -8.622 6.495 1.00 0.53 H new ATOM 0 HD2 PRO A 62 2.494 -9.972 5.536 1.00 0.45 H new ATOM 0 HD3 PRO A 62 2.032 -8.472 4.756 1.00 0.45 H new ATOM 468 N GLU A 63 4.492 -8.678 8.775 1.00 1.09 N ATOM 469 CA GLU A 63 5.140 -9.052 10.040 1.00 1.45 C ATOM 470 C GLU A 63 6.633 -9.443 9.907 1.00 1.38 C ATOM 471 O GLU A 63 7.273 -9.727 10.926 1.00 1.46 O ATOM 472 CB GLU A 63 4.301 -10.156 10.708 1.00 1.68 C ATOM 473 CG GLU A 63 2.854 -9.753 11.069 1.00 3.34 C ATOM 474 CD GLU A 63 2.723 -8.757 12.234 1.00 5.63 C ATOM 475 OE1 GLU A 63 3.613 -8.687 13.117 1.00 6.86 O ATOM 476 OE2 GLU A 63 1.667 -8.086 12.348 1.00 6.74 O ATOM 0 H GLU A 63 4.374 -9.469 8.142 1.00 1.09 H new ATOM 0 HA GLU A 63 5.168 -8.166 10.675 1.00 1.45 H new ATOM 0 HB2 GLU A 63 4.266 -11.017 10.041 1.00 1.68 H new ATOM 0 HB3 GLU A 63 4.810 -10.477 11.617 1.00 1.68 H new ATOM 0 HG2 GLU A 63 2.384 -9.319 10.187 1.00 3.34 H new ATOM 0 HG3 GLU A 63 2.294 -10.654 11.318 1.00 3.34 H new ATOM 483 N GLN A 64 7.214 -9.478 8.692 1.00 1.30 N ATOM 484 CA GLN A 64 8.637 -9.766 8.462 1.00 1.27 C ATOM 485 C GLN A 64 9.312 -8.662 7.605 1.00 1.35 C ATOM 486 O GLN A 64 8.886 -8.421 6.471 1.00 1.39 O ATOM 487 CB GLN A 64 8.792 -11.129 7.786 1.00 1.27 C ATOM 488 CG GLN A 64 8.505 -12.389 8.631 1.00 1.30 C ATOM 489 CD GLN A 64 7.066 -12.602 9.099 1.00 2.39 C ATOM 490 OE1 GLN A 64 6.814 -13.025 10.222 1.00 3.72 O ATOM 491 NE2 GLN A 64 6.079 -12.382 8.259 1.00 3.23 N ATOM 0 H GLN A 64 6.696 -9.304 7.831 1.00 1.30 H new ATOM 0 HA GLN A 64 9.136 -9.784 9.431 1.00 1.27 H new ATOM 0 HB2 GLN A 64 8.132 -11.150 6.919 1.00 1.27 H new ATOM 0 HB3 GLN A 64 9.813 -11.203 7.411 1.00 1.27 H new ATOM 0 HG2 GLN A 64 8.804 -13.261 8.050 1.00 1.30 H new ATOM 0 HG3 GLN A 64 9.146 -12.358 9.512 1.00 1.30 H new ATOM 0 HE21 GLN A 64 6.276 -12.030 7.322 1.00 3.23 H new ATOM 0 HE22 GLN A 64 5.117 -12.563 8.544 1.00 3.23 H new ATOM 500 N PRO A 65 10.388 -7.998 8.078 1.00 1.58 N ATOM 501 CA PRO A 65 10.991 -6.842 7.402 1.00 1.62 C ATOM 502 C PRO A 65 11.974 -7.209 6.266 1.00 1.54 C ATOM 503 O PRO A 65 13.085 -6.688 6.221 1.00 2.18 O ATOM 504 CB PRO A 65 11.621 -6.013 8.526 1.00 1.88 C ATOM 505 CG PRO A 65 12.095 -7.095 9.495 1.00 2.18 C ATOM 506 CD PRO A 65 10.980 -8.140 9.405 1.00 1.93 C ATOM 0 HA PRO A 65 10.239 -6.270 6.859 1.00 1.62 H new ATOM 0 HB2 PRO A 65 12.446 -5.399 8.166 1.00 1.88 H new ATOM 0 HB3 PRO A 65 10.900 -5.339 8.989 1.00 1.88 H new ATOM 0 HG2 PRO A 65 13.060 -7.507 9.201 1.00 2.18 H new ATOM 0 HG3 PRO A 65 12.208 -6.710 10.508 1.00 2.18 H new ATOM 0 HD2 PRO A 65 11.377 -9.145 9.547 1.00 1.93 H new ATOM 0 HD3 PRO A 65 10.233 -7.979 10.183 1.00 1.93 H new ATOM 514 N GLN A 66 11.524 -8.041 5.313 1.00 1.09 N ATOM 515 CA GLN A 66 12.040 -8.278 3.946 1.00 0.93 C ATOM 516 C GLN A 66 13.348 -7.550 3.592 1.00 1.14 C ATOM 517 O GLN A 66 14.411 -8.150 3.431 1.00 1.27 O ATOM 518 CB GLN A 66 10.950 -7.871 2.936 1.00 0.70 C ATOM 519 CG GLN A 66 10.140 -6.606 3.282 1.00 1.14 C ATOM 520 CD GLN A 66 9.854 -5.666 2.110 1.00 0.86 C ATOM 521 OE1 GLN A 66 9.195 -5.991 1.143 1.00 1.79 O ATOM 522 NE2 GLN A 66 10.213 -4.406 2.202 1.00 1.18 N ATOM 0 H GLN A 66 10.708 -8.625 5.494 1.00 1.09 H new ATOM 0 HA GLN A 66 12.283 -9.340 3.901 1.00 0.93 H new ATOM 0 HB2 GLN A 66 11.422 -7.721 1.965 1.00 0.70 H new ATOM 0 HB3 GLN A 66 10.255 -8.704 2.828 1.00 0.70 H new ATOM 0 HG2 GLN A 66 9.190 -6.913 3.719 1.00 1.14 H new ATOM 0 HG3 GLN A 66 10.679 -6.049 4.049 1.00 1.14 H new ATOM 0 HE21 GLN A 66 10.767 -4.090 2.998 1.00 1.18 H new ATOM 0 HE22 GLN A 66 9.938 -3.743 1.477 1.00 1.18 H new ATOM 531 N CYS A 67 13.225 -6.231 3.467 1.00 1.23 N ATOM 532 CA CYS A 67 14.272 -5.303 3.031 1.00 1.48 C ATOM 533 C CYS A 67 14.088 -3.954 3.753 1.00 1.53 C ATOM 534 O CYS A 67 14.063 -2.887 3.134 1.00 3.21 O ATOM 535 CB CYS A 67 14.216 -5.209 1.495 1.00 1.50 C ATOM 536 SG CYS A 67 15.754 -4.506 0.833 1.00 1.98 S ATOM 0 H CYS A 67 12.349 -5.753 3.677 1.00 1.23 H new ATOM 0 HA CYS A 67 15.270 -5.651 3.297 1.00 1.48 H new ATOM 0 HB2 CYS A 67 14.053 -6.200 1.072 1.00 1.50 H new ATOM 0 HB3 CYS A 67 13.370 -4.591 1.195 1.00 1.50 H new ATOM 0 HG CYS A 67 15.679 -4.441 -0.463 1.00 1.98 H new ATOM 542 N GLY A 68 13.794 -4.013 5.057 1.00 1.21 N ATOM 543 CA GLY A 68 13.191 -2.897 5.786 1.00 1.48 C ATOM 544 C GLY A 68 11.726 -2.666 5.397 1.00 1.62 C ATOM 545 O GLY A 68 11.123 -3.516 4.734 1.00 2.36 O ATOM 0 H GLY A 68 13.968 -4.836 5.634 1.00 1.21 H new ATOM 0 HA2 GLY A 68 13.253 -3.091 6.857 1.00 1.48 H new ATOM 0 HA3 GLY A 68 13.763 -1.989 5.592 1.00 1.48 H new ATOM 549 N PHE A 69 11.192 -1.493 5.761 1.00 1.43 N ATOM 550 CA PHE A 69 9.979 -0.762 5.313 1.00 1.24 C ATOM 551 C PHE A 69 8.633 -1.457 4.984 1.00 0.96 C ATOM 552 O PHE A 69 7.619 -0.778 4.835 1.00 0.89 O ATOM 553 CB PHE A 69 10.290 0.484 4.476 1.00 1.63 C ATOM 554 CG PHE A 69 10.927 0.424 3.119 1.00 1.19 C ATOM 555 CD1 PHE A 69 11.560 -0.712 2.610 1.00 2.51 C ATOM 556 CD2 PHE A 69 10.865 1.591 2.355 1.00 1.62 C ATOM 557 CE1 PHE A 69 12.165 -0.673 1.344 1.00 3.38 C ATOM 558 CE2 PHE A 69 11.354 1.607 1.045 1.00 2.08 C ATOM 559 CZ PHE A 69 12.048 0.485 0.548 1.00 2.86 C ATOM 0 H PHE A 69 11.665 -0.949 6.482 1.00 1.43 H new ATOM 0 HA PHE A 69 9.648 -0.482 6.313 1.00 1.24 H new ATOM 0 HB2 PHE A 69 9.346 1.015 4.350 1.00 1.63 H new ATOM 0 HB3 PHE A 69 10.932 1.116 5.090 1.00 1.63 H new ATOM 0 HD1 PHE A 69 11.584 -1.622 3.191 1.00 2.51 H new ATOM 0 HD2 PHE A 69 10.437 2.487 2.779 1.00 1.62 H new ATOM 0 HE1 PHE A 69 12.718 -1.527 0.981 1.00 3.38 H new ATOM 0 HE2 PHE A 69 11.201 2.473 0.418 1.00 2.08 H new ATOM 0 HZ PHE A 69 12.488 0.512 -0.438 1.00 2.86 H new ATOM 569 N SER A 70 8.536 -2.785 4.987 1.00 1.03 N ATOM 570 CA SER A 70 7.263 -3.519 4.867 1.00 1.00 C ATOM 571 C SER A 70 6.451 -3.504 6.169 1.00 1.02 C ATOM 572 O SER A 70 5.226 -3.573 6.167 1.00 1.04 O ATOM 573 CB SER A 70 7.577 -4.934 4.382 1.00 1.11 C ATOM 574 OG SER A 70 6.516 -5.862 4.407 1.00 2.88 O ATOM 0 H SER A 70 9.347 -3.397 5.074 1.00 1.03 H new ATOM 0 HA SER A 70 6.622 -3.022 4.139 1.00 1.00 H new ATOM 0 HB2 SER A 70 7.948 -4.869 3.359 1.00 1.11 H new ATOM 0 HB3 SER A 70 8.390 -5.330 4.991 1.00 1.11 H new ATOM 0 HG SER A 70 6.635 -6.475 5.162 1.00 2.88 H new ATOM 580 N ASN A 71 7.136 -3.295 7.290 1.00 1.02 N ATOM 581 CA ASN A 71 6.553 -2.905 8.560 1.00 0.91 C ATOM 582 C ASN A 71 6.104 -1.439 8.579 1.00 0.89 C ATOM 583 O ASN A 71 5.034 -1.158 9.091 1.00 0.90 O ATOM 584 CB ASN A 71 7.606 -3.198 9.630 1.00 0.88 C ATOM 585 CG ASN A 71 8.784 -2.257 9.515 1.00 2.02 C ATOM 586 OD1 ASN A 71 9.482 -2.212 8.508 1.00 3.65 O ATOM 587 ND2 ASN A 71 8.914 -1.359 10.448 1.00 2.55 N ATOM 0 H ASN A 71 8.150 -3.398 7.335 1.00 1.02 H new ATOM 0 HA ASN A 71 5.641 -3.472 8.747 1.00 0.91 H new ATOM 0 HB2 ASN A 71 7.158 -3.104 10.619 1.00 0.88 H new ATOM 0 HB3 ASN A 71 7.950 -4.228 9.532 1.00 0.88 H new ATOM 0 HD21 ASN A 71 9.600 -0.611 10.344 1.00 2.55 H new ATOM 0 HD22 ASN A 71 8.330 -1.403 11.283 1.00 2.55 H new ATOM 594 N ALA A 72 6.864 -0.508 7.997 1.00 0.88 N ATOM 595 CA ALA A 72 6.589 0.932 8.080 1.00 0.84 C ATOM 596 C ALA A 72 5.200 1.297 7.560 1.00 0.78 C ATOM 597 O ALA A 72 4.459 2.037 8.206 1.00 0.80 O ATOM 598 CB ALA A 72 7.690 1.691 7.335 1.00 0.88 C ATOM 0 H ALA A 72 7.695 -0.732 7.450 1.00 0.88 H new ATOM 0 HA ALA A 72 6.592 1.224 9.130 1.00 0.84 H new ATOM 0 HB1 ALA A 72 7.495 2.762 7.391 1.00 0.88 H new ATOM 0 HB2 ALA A 72 8.655 1.474 7.792 1.00 0.88 H new ATOM 0 HB3 ALA A 72 7.705 1.379 6.291 1.00 0.88 H new ATOM 604 N VAL A 73 4.797 0.688 6.447 1.00 0.73 N ATOM 605 CA VAL A 73 3.464 0.824 5.910 1.00 0.72 C ATOM 606 C VAL A 73 2.385 0.269 6.843 1.00 0.69 C ATOM 607 O VAL A 73 1.341 0.886 7.021 1.00 0.64 O ATOM 608 CB VAL A 73 3.434 0.162 4.528 1.00 0.82 C ATOM 609 CG1 VAL A 73 4.310 0.903 3.520 1.00 0.87 C ATOM 610 CG2 VAL A 73 3.913 -1.275 4.526 1.00 0.95 C ATOM 0 H VAL A 73 5.402 0.081 5.893 1.00 0.73 H new ATOM 0 HA VAL A 73 3.227 1.884 5.815 1.00 0.72 H new ATOM 0 HB VAL A 73 2.381 0.199 4.250 1.00 0.82 H new ATOM 0 HG11 VAL A 73 4.259 0.400 2.555 1.00 0.87 H new ATOM 0 HG12 VAL A 73 3.955 1.928 3.414 1.00 0.87 H new ATOM 0 HG13 VAL A 73 5.342 0.911 3.871 1.00 0.87 H new ATOM 0 HG21 VAL A 73 3.862 -1.674 3.513 1.00 0.95 H new ATOM 0 HG22 VAL A 73 4.943 -1.316 4.881 1.00 0.95 H new ATOM 0 HG23 VAL A 73 3.279 -1.871 5.183 1.00 0.95 H new ATOM 620 N VAL A 74 2.665 -0.859 7.493 1.00 0.72 N ATOM 621 CA VAL A 74 1.754 -1.588 8.386 1.00 0.71 C ATOM 622 C VAL A 74 1.602 -0.903 9.742 1.00 0.66 C ATOM 623 O VAL A 74 0.488 -0.836 10.257 1.00 0.66 O ATOM 624 CB VAL A 74 2.211 -3.051 8.485 1.00 0.72 C ATOM 625 CG1 VAL A 74 1.593 -3.831 9.650 1.00 0.70 C ATOM 626 CG2 VAL A 74 1.842 -3.747 7.169 1.00 0.93 C ATOM 0 H VAL A 74 3.574 -1.314 7.410 1.00 0.72 H new ATOM 0 HA VAL A 74 0.750 -1.579 7.963 1.00 0.71 H new ATOM 0 HB VAL A 74 3.285 -3.039 8.670 1.00 0.72 H new ATOM 0 HG11 VAL A 74 1.971 -4.854 9.644 1.00 0.70 H new ATOM 0 HG12 VAL A 74 1.860 -3.351 10.592 1.00 0.70 H new ATOM 0 HG13 VAL A 74 0.508 -3.844 9.544 1.00 0.70 H new ATOM 0 HG21 VAL A 74 2.155 -4.790 7.209 1.00 0.93 H new ATOM 0 HG22 VAL A 74 0.763 -3.697 7.021 1.00 0.93 H new ATOM 0 HG23 VAL A 74 2.345 -3.249 6.340 1.00 0.93 H new ATOM 636 N GLN A 75 2.681 -0.320 10.270 1.00 0.63 N ATOM 637 CA GLN A 75 2.661 0.550 11.441 1.00 0.60 C ATOM 638 C GLN A 75 1.837 1.808 11.154 1.00 0.50 C ATOM 639 O GLN A 75 0.907 2.092 11.903 1.00 0.50 O ATOM 640 CB GLN A 75 4.087 0.893 11.910 1.00 0.70 C ATOM 641 CG GLN A 75 4.968 -0.309 12.315 1.00 0.74 C ATOM 642 CD GLN A 75 4.239 -1.420 13.066 1.00 1.62 C ATOM 643 OE1 GLN A 75 4.141 -2.560 12.624 1.00 3.57 O ATOM 644 NE2 GLN A 75 3.731 -1.139 14.240 1.00 1.12 N ATOM 0 H GLN A 75 3.616 -0.445 9.882 1.00 0.63 H new ATOM 0 HA GLN A 75 2.181 0.014 12.260 1.00 0.60 H new ATOM 0 HB2 GLN A 75 4.591 1.436 11.111 1.00 0.70 H new ATOM 0 HB3 GLN A 75 4.016 1.571 12.761 1.00 0.70 H new ATOM 0 HG2 GLN A 75 5.415 -0.732 11.415 1.00 0.74 H new ATOM 0 HG3 GLN A 75 5.786 0.053 12.937 1.00 0.74 H new ATOM 0 HE21 GLN A 75 3.808 -0.194 14.616 1.00 1.12 H new ATOM 0 HE22 GLN A 75 3.259 -1.865 14.778 1.00 1.12 H new ATOM 653 N ILE A 76 2.085 2.520 10.046 1.00 0.45 N ATOM 654 CA ILE A 76 1.327 3.752 9.742 1.00 0.37 C ATOM 655 C ILE A 76 -0.162 3.438 9.536 1.00 0.34 C ATOM 656 O ILE A 76 -1.013 4.150 10.070 1.00 0.34 O ATOM 657 CB ILE A 76 1.972 4.528 8.569 1.00 0.40 C ATOM 658 CG1 ILE A 76 3.346 5.060 9.037 1.00 0.54 C ATOM 659 CG2 ILE A 76 1.092 5.714 8.120 1.00 0.58 C ATOM 660 CD1 ILE A 76 4.164 5.663 7.897 1.00 0.58 C ATOM 0 H ILE A 76 2.791 2.274 9.353 1.00 0.45 H new ATOM 0 HA ILE A 76 1.377 4.422 10.600 1.00 0.37 H new ATOM 0 HB ILE A 76 2.080 3.854 7.719 1.00 0.40 H new ATOM 0 HG12 ILE A 76 3.195 5.815 9.809 1.00 0.54 H new ATOM 0 HG13 ILE A 76 3.910 4.246 9.493 1.00 0.54 H new ATOM 0 HG21 ILE A 76 1.577 6.235 7.295 1.00 0.58 H new ATOM 0 HG22 ILE A 76 0.120 5.343 7.794 1.00 0.58 H new ATOM 0 HG23 ILE A 76 0.956 6.402 8.954 1.00 0.58 H new ATOM 0 HD11 ILE A 76 5.119 6.020 8.283 1.00 0.58 H new ATOM 0 HD12 ILE A 76 4.342 4.904 7.136 1.00 0.58 H new ATOM 0 HD13 ILE A 76 3.616 6.496 7.457 1.00 0.58 H new ATOM 672 N LEU A 77 -0.483 2.334 8.856 1.00 0.37 N ATOM 673 CA LEU A 77 -1.858 1.836 8.730 1.00 0.42 C ATOM 674 C LEU A 77 -2.513 1.524 10.095 1.00 0.48 C ATOM 675 O LEU A 77 -3.537 2.136 10.411 1.00 0.50 O ATOM 676 CB LEU A 77 -1.895 0.643 7.754 1.00 0.47 C ATOM 677 CG LEU A 77 -1.732 1.046 6.273 1.00 0.43 C ATOM 678 CD1 LEU A 77 -1.503 -0.192 5.405 1.00 0.56 C ATOM 679 CD2 LEU A 77 -2.971 1.763 5.730 1.00 0.46 C ATOM 0 H LEU A 77 0.206 1.757 8.374 1.00 0.37 H new ATOM 0 HA LEU A 77 -2.471 2.633 8.309 1.00 0.42 H new ATOM 0 HB2 LEU A 77 -1.103 -0.057 8.020 1.00 0.47 H new ATOM 0 HB3 LEU A 77 -2.841 0.115 7.875 1.00 0.47 H new ATOM 0 HG LEU A 77 -0.876 1.720 6.231 1.00 0.43 H new ATOM 0 HD11 LEU A 77 -1.390 0.110 4.364 1.00 0.56 H new ATOM 0 HD12 LEU A 77 -0.599 -0.705 5.734 1.00 0.56 H new ATOM 0 HD13 LEU A 77 -2.356 -0.864 5.498 1.00 0.56 H new ATOM 0 HD21 LEU A 77 -2.810 2.027 4.685 1.00 0.46 H new ATOM 0 HD22 LEU A 77 -3.836 1.105 5.809 1.00 0.46 H new ATOM 0 HD23 LEU A 77 -3.151 2.669 6.310 1.00 0.46 H new ATOM 691 N ARG A 78 -1.946 0.657 10.950 1.00 0.55 N ATOM 692 CA ARG A 78 -2.543 0.296 12.236 1.00 0.66 C ATOM 693 C ARG A 78 -2.603 1.441 13.256 1.00 0.61 C ATOM 694 O ARG A 78 -3.559 1.502 14.036 1.00 0.67 O ATOM 695 CB ARG A 78 -1.842 -0.966 12.745 1.00 0.82 C ATOM 696 CG ARG A 78 -0.489 -0.733 13.435 1.00 0.79 C ATOM 697 CD ARG A 78 0.112 -1.982 14.094 1.00 1.11 C ATOM 698 NE ARG A 78 0.249 -3.138 13.184 1.00 2.02 N ATOM 699 CZ ARG A 78 0.938 -4.241 13.430 1.00 2.75 C ATOM 700 NH1 ARG A 78 1.712 -4.356 14.470 1.00 2.79 N ATOM 701 NH2 ARG A 78 0.835 -5.267 12.630 1.00 4.31 N ATOM 0 H ARG A 78 -1.059 0.189 10.764 1.00 0.55 H new ATOM 0 HA ARG A 78 -3.601 0.081 12.085 1.00 0.66 H new ATOM 0 HB2 ARG A 78 -2.506 -1.473 13.445 1.00 0.82 H new ATOM 0 HB3 ARG A 78 -1.690 -1.642 11.903 1.00 0.82 H new ATOM 0 HG2 ARG A 78 0.218 -0.349 12.700 1.00 0.79 H new ATOM 0 HG3 ARG A 78 -0.611 0.040 14.194 1.00 0.79 H new ATOM 0 HD2 ARG A 78 1.094 -1.731 14.495 1.00 1.11 H new ATOM 0 HD3 ARG A 78 -0.513 -2.270 14.939 1.00 1.11 H new ATOM 0 HE ARG A 78 -0.230 -3.081 12.286 1.00 2.02 H new ATOM 0 HH11 ARG A 78 1.802 -3.581 15.127 1.00 2.79 H new ATOM 0 HH12 ARG A 78 2.228 -5.221 14.628 1.00 2.79 H new ATOM 0 HH21 ARG A 78 0.223 -5.219 11.815 1.00 4.31 H new ATOM 0 HH22 ARG A 78 1.366 -6.117 12.820 1.00 4.31 H new ATOM 715 N LEU A 79 -1.665 2.395 13.204 1.00 0.52 N ATOM 716 CA LEU A 79 -1.709 3.649 13.961 1.00 0.48 C ATOM 717 C LEU A 79 -2.905 4.513 13.541 1.00 0.46 C ATOM 718 O LEU A 79 -3.553 5.116 14.392 1.00 0.52 O ATOM 719 CB LEU A 79 -0.403 4.419 13.707 1.00 0.43 C ATOM 720 CG LEU A 79 0.847 3.877 14.427 1.00 0.49 C ATOM 721 CD1 LEU A 79 2.068 4.615 13.869 1.00 0.48 C ATOM 722 CD2 LEU A 79 0.786 4.119 15.935 1.00 0.56 C ATOM 0 H LEU A 79 -0.834 2.312 12.619 1.00 0.52 H new ATOM 0 HA LEU A 79 -1.820 3.418 15.020 1.00 0.48 H new ATOM 0 HB2 LEU A 79 -0.208 4.422 12.635 1.00 0.43 H new ATOM 0 HB3 LEU A 79 -0.551 5.456 14.007 1.00 0.43 H new ATOM 0 HG LEU A 79 0.906 2.802 14.259 1.00 0.49 H new ATOM 0 HD11 LEU A 79 2.970 4.251 14.362 1.00 0.48 H new ATOM 0 HD12 LEU A 79 2.143 4.436 12.796 1.00 0.48 H new ATOM 0 HD13 LEU A 79 1.962 5.684 14.051 1.00 0.48 H new ATOM 0 HD21 LEU A 79 1.686 3.722 16.404 1.00 0.56 H new ATOM 0 HD22 LEU A 79 0.718 5.189 16.129 1.00 0.56 H new ATOM 0 HD23 LEU A 79 -0.090 3.619 16.349 1.00 0.56 H new ATOM 734 N HIS A 80 -3.246 4.509 12.251 1.00 0.41 N ATOM 735 CA HIS A 80 -4.468 5.102 11.706 1.00 0.42 C ATOM 736 C HIS A 80 -5.737 4.254 11.909 1.00 0.53 C ATOM 737 O HIS A 80 -6.820 4.729 11.574 1.00 0.62 O ATOM 738 CB HIS A 80 -4.239 5.467 10.231 1.00 0.38 C ATOM 739 CG HIS A 80 -3.631 6.835 10.067 1.00 0.38 C ATOM 740 ND1 HIS A 80 -4.289 8.018 10.289 1.00 0.40 N ATOM 741 CD2 HIS A 80 -2.347 7.151 9.717 1.00 0.39 C ATOM 742 CE1 HIS A 80 -3.442 9.029 10.067 1.00 0.40 C ATOM 743 NE2 HIS A 80 -2.238 8.553 9.695 1.00 0.41 N ATOM 0 H HIS A 80 -2.661 4.079 11.535 1.00 0.41 H new ATOM 0 HA HIS A 80 -4.669 6.007 12.280 1.00 0.42 H new ATOM 0 HB2 HIS A 80 -3.586 4.724 9.773 1.00 0.38 H new ATOM 0 HB3 HIS A 80 -5.189 5.428 9.698 1.00 0.38 H new ATOM 0 HD2 HIS A 80 -1.557 6.448 9.497 1.00 0.39 H new ATOM 0 HE1 HIS A 80 -3.688 10.076 10.171 1.00 0.40 H new ATOM 0 HE2 HIS A 80 -1.413 9.099 9.447 1.00 0.41 H new ATOM 751 N GLY A 81 -5.649 3.058 12.500 1.00 0.57 N ATOM 752 CA GLY A 81 -6.803 2.189 12.768 1.00 0.71 C ATOM 753 C GLY A 81 -7.058 1.103 11.712 1.00 0.69 C ATOM 754 O GLY A 81 -8.111 0.465 11.743 1.00 0.89 O ATOM 0 H GLY A 81 -4.763 2.660 12.810 1.00 0.57 H new ATOM 0 HA2 GLY A 81 -6.659 1.707 13.735 1.00 0.71 H new ATOM 0 HA3 GLY A 81 -7.695 2.810 12.851 1.00 0.71 H new ATOM 758 N VAL A 82 -6.140 0.910 10.758 1.00 0.52 N ATOM 759 CA VAL A 82 -6.313 0.066 9.560 1.00 0.48 C ATOM 760 C VAL A 82 -5.398 -1.154 9.626 1.00 0.47 C ATOM 761 O VAL A 82 -4.182 -1.016 9.731 1.00 0.57 O ATOM 762 CB VAL A 82 -6.041 0.894 8.284 1.00 0.45 C ATOM 763 CG1 VAL A 82 -6.369 0.107 7.007 1.00 0.44 C ATOM 764 CG2 VAL A 82 -6.856 2.197 8.271 1.00 0.48 C ATOM 0 H VAL A 82 -5.221 1.351 10.796 1.00 0.52 H new ATOM 0 HA VAL A 82 -7.343 -0.290 9.526 1.00 0.48 H new ATOM 0 HB VAL A 82 -4.976 1.126 8.301 1.00 0.45 H new ATOM 0 HG11 VAL A 82 -6.163 0.727 6.134 1.00 0.44 H new ATOM 0 HG12 VAL A 82 -5.755 -0.793 6.966 1.00 0.44 H new ATOM 0 HG13 VAL A 82 -7.422 -0.173 7.013 1.00 0.44 H new ATOM 0 HG21 VAL A 82 -6.639 2.753 7.359 1.00 0.48 H new ATOM 0 HG22 VAL A 82 -7.920 1.961 8.308 1.00 0.48 H new ATOM 0 HG23 VAL A 82 -6.588 2.802 9.137 1.00 0.48 H new ATOM 774 N ARG A 83 -5.956 -2.366 9.532 1.00 0.39 N ATOM 775 CA ARG A 83 -5.221 -3.632 9.634 1.00 0.48 C ATOM 776 C ARG A 83 -5.694 -4.668 8.619 1.00 0.49 C ATOM 777 O ARG A 83 -5.211 -5.792 8.554 1.00 0.72 O ATOM 778 CB ARG A 83 -5.257 -4.141 11.073 1.00 0.69 C ATOM 779 CG ARG A 83 -6.636 -4.240 11.720 1.00 0.81 C ATOM 780 CD ARG A 83 -7.452 -5.467 11.301 1.00 1.73 C ATOM 781 NE ARG A 83 -8.793 -5.426 11.901 1.00 2.22 N ATOM 782 CZ ARG A 83 -9.845 -6.124 11.524 1.00 3.20 C ATOM 783 NH1 ARG A 83 -9.786 -7.038 10.598 1.00 4.25 N ATOM 784 NH2 ARG A 83 -10.993 -5.893 12.082 1.00 3.81 N ATOM 0 H ARG A 83 -6.956 -2.497 9.379 1.00 0.39 H new ATOM 0 HA ARG A 83 -4.179 -3.445 9.375 1.00 0.48 H new ATOM 0 HB2 ARG A 83 -4.795 -5.128 11.099 1.00 0.69 H new ATOM 0 HB3 ARG A 83 -4.638 -3.484 11.684 1.00 0.69 H new ATOM 0 HG2 ARG A 83 -6.514 -4.254 12.803 1.00 0.81 H new ATOM 0 HG3 ARG A 83 -7.203 -3.342 11.474 1.00 0.81 H new ATOM 0 HD2 ARG A 83 -7.535 -5.502 10.215 1.00 1.73 H new ATOM 0 HD3 ARG A 83 -6.937 -6.376 11.611 1.00 1.73 H new ATOM 0 HE ARG A 83 -8.923 -4.792 12.690 1.00 2.22 H new ATOM 0 HH11 ARG A 83 -8.900 -7.237 10.134 1.00 4.25 H new ATOM 0 HH12 ARG A 83 -10.626 -7.555 10.337 1.00 4.25 H new ATOM 0 HH21 ARG A 83 -11.074 -5.177 12.804 1.00 3.81 H new ATOM 0 HH22 ARG A 83 -11.815 -6.427 11.798 1.00 3.81 H new ATOM 798 N ASP A 84 -6.685 -4.254 7.849 1.00 0.50 N ATOM 799 CA ASP A 84 -7.566 -5.005 6.994 1.00 0.60 C ATOM 800 C ASP A 84 -7.228 -4.798 5.508 1.00 0.50 C ATOM 801 O ASP A 84 -8.079 -4.968 4.632 1.00 0.59 O ATOM 802 CB ASP A 84 -8.977 -4.577 7.412 1.00 0.86 C ATOM 803 CG ASP A 84 -9.271 -3.092 7.203 1.00 2.35 C ATOM 804 OD1 ASP A 84 -8.645 -2.259 7.901 1.00 3.84 O ATOM 805 OD2 ASP A 84 -10.141 -2.775 6.353 1.00 3.22 O ATOM 0 H ASP A 84 -6.912 -3.260 7.810 1.00 0.50 H new ATOM 0 HA ASP A 84 -7.464 -6.084 7.109 1.00 0.60 H new ATOM 0 HB2 ASP A 84 -9.704 -5.162 6.848 1.00 0.86 H new ATOM 0 HB3 ASP A 84 -9.121 -4.819 8.465 1.00 0.86 H new ATOM 810 N TYR A 85 -5.962 -4.464 5.229 1.00 0.39 N ATOM 811 CA TYR A 85 -5.388 -4.473 3.892 1.00 0.33 C ATOM 812 C TYR A 85 -5.270 -5.913 3.372 1.00 0.35 C ATOM 813 O TYR A 85 -5.291 -6.885 4.131 1.00 0.40 O ATOM 814 CB TYR A 85 -3.961 -3.853 3.907 1.00 0.33 C ATOM 815 CG TYR A 85 -3.090 -4.309 5.055 1.00 0.35 C ATOM 816 CD1 TYR A 85 -2.394 -5.512 4.892 1.00 1.76 C ATOM 817 CD2 TYR A 85 -3.041 -3.611 6.283 1.00 1.68 C ATOM 818 CE1 TYR A 85 -1.716 -6.081 5.989 1.00 1.78 C ATOM 819 CE2 TYR A 85 -2.337 -4.164 7.371 1.00 1.68 C ATOM 820 CZ TYR A 85 -1.706 -5.419 7.239 1.00 0.43 C ATOM 821 OH TYR A 85 -1.087 -5.986 8.309 1.00 0.50 O ATOM 0 H TYR A 85 -5.299 -4.174 5.948 1.00 0.39 H new ATOM 0 HA TYR A 85 -6.044 -3.889 3.246 1.00 0.33 H new ATOM 0 HB2 TYR A 85 -3.462 -4.099 2.970 1.00 0.33 H new ATOM 0 HB3 TYR A 85 -4.051 -2.767 3.945 1.00 0.33 H new ATOM 0 HD1 TYR A 85 -2.376 -6.002 3.930 1.00 1.76 H new ATOM 0 HD2 TYR A 85 -3.540 -2.659 6.387 1.00 1.68 H new ATOM 0 HE1 TYR A 85 -1.203 -7.025 5.875 1.00 1.78 H new ATOM 0 HE2 TYR A 85 -2.280 -3.627 8.306 1.00 1.68 H new ATOM 0 HH TYR A 85 -1.174 -5.397 9.087 1.00 0.50 H new ATOM 831 N ALA A 86 -5.054 -6.028 2.066 1.00 0.34 N ATOM 832 CA ALA A 86 -4.533 -7.233 1.430 1.00 0.30 C ATOM 833 C ALA A 86 -3.060 -6.975 1.098 1.00 0.32 C ATOM 834 O ALA A 86 -2.767 -6.169 0.214 1.00 0.41 O ATOM 835 CB ALA A 86 -5.400 -7.560 0.206 1.00 0.32 C ATOM 0 H ALA A 86 -5.240 -5.272 1.407 1.00 0.34 H new ATOM 0 HA ALA A 86 -4.577 -8.109 2.078 1.00 0.30 H new ATOM 0 HB1 ALA A 86 -5.021 -8.460 -0.279 1.00 0.32 H new ATOM 0 HB2 ALA A 86 -6.430 -7.725 0.523 1.00 0.32 H new ATOM 0 HB3 ALA A 86 -5.366 -6.727 -0.497 1.00 0.32 H new ATOM 841 N ALA A 87 -2.136 -7.577 1.857 1.00 0.27 N ATOM 842 CA ALA A 87 -0.707 -7.324 1.695 1.00 0.26 C ATOM 843 C ALA A 87 -0.105 -8.348 0.698 1.00 0.30 C ATOM 844 O ALA A 87 0.147 -9.496 1.073 1.00 0.41 O ATOM 845 CB ALA A 87 0.018 -7.430 3.051 1.00 0.29 C ATOM 0 H ALA A 87 -2.359 -8.247 2.593 1.00 0.27 H new ATOM 0 HA ALA A 87 -0.573 -6.315 1.306 1.00 0.26 H new ATOM 0 HB1 ALA A 87 1.082 -7.238 2.911 1.00 0.29 H new ATOM 0 HB2 ALA A 87 -0.395 -6.696 3.743 1.00 0.29 H new ATOM 0 HB3 ALA A 87 -0.120 -8.431 3.460 1.00 0.29 H new ATOM 851 N TYR A 88 0.132 -7.965 -0.555 1.00 0.30 N ATOM 852 CA TYR A 88 0.766 -8.798 -1.580 1.00 0.39 C ATOM 853 C TYR A 88 2.288 -8.897 -1.437 1.00 0.36 C ATOM 854 O TYR A 88 3.014 -7.907 -1.586 1.00 0.33 O ATOM 855 CB TYR A 88 0.386 -8.278 -2.973 1.00 0.48 C ATOM 856 CG TYR A 88 -1.021 -8.649 -3.392 1.00 0.66 C ATOM 857 CD1 TYR A 88 -2.101 -7.794 -3.096 1.00 1.55 C ATOM 858 CD2 TYR A 88 -1.241 -9.836 -4.115 1.00 2.21 C ATOM 859 CE1 TYR A 88 -3.397 -8.119 -3.552 1.00 1.57 C ATOM 860 CE2 TYR A 88 -2.538 -10.175 -4.543 1.00 2.33 C ATOM 861 CZ TYR A 88 -3.625 -9.334 -4.236 1.00 1.03 C ATOM 862 OH TYR A 88 -4.887 -9.686 -4.599 1.00 1.21 O ATOM 0 H TYR A 88 -0.119 -7.038 -0.898 1.00 0.30 H new ATOM 0 HA TYR A 88 0.389 -9.812 -1.442 1.00 0.39 H new ATOM 0 HB2 TYR A 88 0.487 -7.193 -2.987 1.00 0.48 H new ATOM 0 HB3 TYR A 88 1.091 -8.673 -3.705 1.00 0.48 H new ATOM 0 HD1 TYR A 88 -1.938 -6.893 -2.522 1.00 1.55 H new ATOM 0 HD2 TYR A 88 -0.411 -10.489 -4.342 1.00 2.21 H new ATOM 0 HE1 TYR A 88 -4.216 -7.437 -3.378 1.00 1.57 H new ATOM 0 HE2 TYR A 88 -2.700 -11.081 -5.108 1.00 2.33 H new ATOM 0 HH TYR A 88 -4.865 -10.550 -5.061 1.00 1.21 H new ATOM 872 N ASN A 89 2.747 -10.140 -1.255 1.00 0.42 N ATOM 873 CA ASN A 89 4.105 -10.587 -1.437 1.00 0.41 C ATOM 874 C ASN A 89 4.442 -10.715 -2.929 1.00 0.35 C ATOM 875 O ASN A 89 4.012 -11.666 -3.589 1.00 0.39 O ATOM 876 CB ASN A 89 4.215 -11.949 -0.731 1.00 0.53 C ATOM 877 CG ASN A 89 5.650 -12.393 -0.618 1.00 1.18 C ATOM 878 OD1 ASN A 89 6.204 -13.095 -1.452 1.00 2.18 O ATOM 879 ND2 ASN A 89 6.301 -11.893 0.393 1.00 1.19 N ATOM 0 H ASN A 89 2.131 -10.897 -0.958 1.00 0.42 H new ATOM 0 HA ASN A 89 4.812 -9.872 -1.017 1.00 0.41 H new ATOM 0 HB2 ASN A 89 3.773 -11.882 0.263 1.00 0.53 H new ATOM 0 HB3 ASN A 89 3.644 -12.695 -1.284 1.00 0.53 H new ATOM 0 HD21 ASN A 89 7.297 -12.084 0.503 1.00 1.19 H new ATOM 0 HD22 ASN A 89 5.815 -11.310 1.075 1.00 1.19 H new ATOM 886 N VAL A 90 5.230 -9.786 -3.472 1.00 0.35 N ATOM 887 CA VAL A 90 5.589 -9.815 -4.908 1.00 0.42 C ATOM 888 C VAL A 90 6.721 -10.796 -5.248 1.00 0.61 C ATOM 889 O VAL A 90 7.043 -10.988 -6.416 1.00 0.88 O ATOM 890 CB VAL A 90 5.827 -8.409 -5.490 1.00 0.43 C ATOM 891 CG1 VAL A 90 4.615 -7.510 -5.201 1.00 0.41 C ATOM 892 CG2 VAL A 90 7.093 -7.730 -4.961 1.00 0.52 C ATOM 0 H VAL A 90 5.634 -9.007 -2.952 1.00 0.35 H new ATOM 0 HA VAL A 90 4.708 -10.214 -5.411 1.00 0.42 H new ATOM 0 HB VAL A 90 5.964 -8.545 -6.563 1.00 0.43 H new ATOM 0 HG11 VAL A 90 4.791 -6.517 -5.616 1.00 0.41 H new ATOM 0 HG12 VAL A 90 3.725 -7.942 -5.658 1.00 0.41 H new ATOM 0 HG13 VAL A 90 4.468 -7.432 -4.124 1.00 0.41 H new ATOM 0 HG21 VAL A 90 7.194 -6.744 -5.415 1.00 0.52 H new ATOM 0 HG22 VAL A 90 7.024 -7.625 -3.878 1.00 0.52 H new ATOM 0 HG23 VAL A 90 7.963 -8.336 -5.212 1.00 0.52 H new ATOM 902 N LEU A 91 7.311 -11.461 -4.248 1.00 0.58 N ATOM 903 CA LEU A 91 8.348 -12.481 -4.450 1.00 0.74 C ATOM 904 C LEU A 91 7.760 -13.839 -4.860 1.00 0.68 C ATOM 905 O LEU A 91 8.393 -14.572 -5.619 1.00 0.82 O ATOM 906 CB LEU A 91 9.199 -12.603 -3.176 1.00 0.91 C ATOM 907 CG LEU A 91 10.008 -11.346 -2.843 1.00 1.18 C ATOM 908 CD1 LEU A 91 10.661 -11.495 -1.471 1.00 1.32 C ATOM 909 CD2 LEU A 91 11.097 -11.061 -3.882 1.00 1.65 C ATOM 0 H LEU A 91 7.080 -11.305 -3.267 1.00 0.58 H new ATOM 0 HA LEU A 91 8.982 -12.162 -5.278 1.00 0.74 H new ATOM 0 HB2 LEU A 91 8.545 -12.834 -2.335 1.00 0.91 H new ATOM 0 HB3 LEU A 91 9.884 -13.444 -3.288 1.00 0.91 H new ATOM 0 HG LEU A 91 9.310 -10.509 -2.846 1.00 1.18 H new ATOM 0 HD11 LEU A 91 11.235 -10.597 -1.242 1.00 1.32 H new ATOM 0 HD12 LEU A 91 9.889 -11.636 -0.714 1.00 1.32 H new ATOM 0 HD13 LEU A 91 11.326 -12.359 -1.476 1.00 1.32 H new ATOM 0 HD21 LEU A 91 11.642 -10.160 -3.600 1.00 1.65 H new ATOM 0 HD22 LEU A 91 11.787 -11.904 -3.926 1.00 1.65 H new ATOM 0 HD23 LEU A 91 10.638 -10.916 -4.860 1.00 1.65 H new ATOM 921 N ASP A 92 6.535 -14.148 -4.432 1.00 0.60 N ATOM 922 CA ASP A 92 5.858 -15.428 -4.715 1.00 0.65 C ATOM 923 C ASP A 92 5.475 -15.617 -6.196 1.00 0.61 C ATOM 924 O ASP A 92 5.473 -16.732 -6.724 1.00 0.77 O ATOM 925 CB ASP A 92 4.599 -15.520 -3.863 1.00 0.77 C ATOM 926 CG ASP A 92 4.221 -16.974 -3.579 1.00 1.04 C ATOM 927 OD1 ASP A 92 3.574 -17.619 -4.434 1.00 2.15 O ATOM 928 OD2 ASP A 92 4.605 -17.514 -2.514 1.00 1.95 O ATOM 0 H ASP A 92 5.971 -13.510 -3.870 1.00 0.60 H new ATOM 0 HA ASP A 92 6.569 -16.218 -4.473 1.00 0.65 H new ATOM 0 HB2 ASP A 92 4.756 -14.993 -2.922 1.00 0.77 H new ATOM 0 HB3 ASP A 92 3.775 -15.022 -4.374 1.00 0.77 H new ATOM 933 N ASP A 93 5.162 -14.510 -6.867 1.00 0.52 N ATOM 934 CA ASP A 93 4.773 -14.444 -8.273 1.00 0.56 C ATOM 935 C ASP A 93 5.631 -13.433 -9.062 1.00 0.54 C ATOM 936 O ASP A 93 5.483 -12.219 -8.870 1.00 0.47 O ATOM 937 CB ASP A 93 3.298 -14.042 -8.339 1.00 0.67 C ATOM 938 CG ASP A 93 2.362 -15.241 -8.205 1.00 0.84 C ATOM 939 OD1 ASP A 93 2.254 -16.004 -9.199 1.00 2.00 O ATOM 940 OD2 ASP A 93 1.754 -15.458 -7.134 1.00 1.40 O ATOM 0 H ASP A 93 5.174 -13.592 -6.423 1.00 0.52 H new ATOM 0 HA ASP A 93 4.931 -15.421 -8.730 1.00 0.56 H new ATOM 0 HB2 ASP A 93 3.083 -13.326 -7.545 1.00 0.67 H new ATOM 0 HB3 ASP A 93 3.104 -13.537 -9.285 1.00 0.67 H new ATOM 945 N PRO A 94 6.457 -13.875 -10.031 1.00 0.63 N ATOM 946 CA PRO A 94 7.230 -12.941 -10.848 1.00 0.64 C ATOM 947 C PRO A 94 6.325 -12.147 -11.804 1.00 0.60 C ATOM 948 O PRO A 94 6.653 -11.038 -12.211 1.00 0.59 O ATOM 949 CB PRO A 94 8.258 -13.811 -11.556 1.00 0.80 C ATOM 950 CG PRO A 94 7.501 -15.120 -11.778 1.00 0.86 C ATOM 951 CD PRO A 94 6.686 -15.243 -10.485 1.00 0.76 C ATOM 0 HA PRO A 94 7.722 -12.167 -10.259 1.00 0.64 H new ATOM 0 HB2 PRO A 94 8.583 -13.368 -12.497 1.00 0.80 H new ATOM 0 HB3 PRO A 94 9.150 -13.958 -10.948 1.00 0.80 H new ATOM 0 HG2 PRO A 94 6.862 -15.077 -12.660 1.00 0.86 H new ATOM 0 HG3 PRO A 94 8.177 -15.964 -11.915 1.00 0.86 H new ATOM 0 HD2 PRO A 94 5.743 -15.759 -10.664 1.00 0.76 H new ATOM 0 HD3 PRO A 94 7.227 -15.819 -9.734 1.00 0.76 H new ATOM 959 N GLU A 95 5.123 -12.663 -12.075 1.00 0.62 N ATOM 960 CA GLU A 95 4.022 -11.970 -12.711 1.00 0.63 C ATOM 961 C GLU A 95 3.623 -10.684 -11.960 1.00 0.54 C ATOM 962 O GLU A 95 3.483 -9.626 -12.586 1.00 0.57 O ATOM 963 CB GLU A 95 2.846 -12.934 -12.772 1.00 0.71 C ATOM 964 CG GLU A 95 3.139 -14.333 -13.326 1.00 0.88 C ATOM 965 CD GLU A 95 3.847 -14.383 -14.687 1.00 1.70 C ATOM 966 OE1 GLU A 95 3.196 -14.135 -15.732 1.00 2.77 O ATOM 967 OE2 GLU A 95 5.044 -14.760 -14.714 1.00 2.97 O ATOM 0 H GLU A 95 4.889 -13.628 -11.840 1.00 0.62 H new ATOM 0 HA GLU A 95 4.328 -11.657 -13.709 1.00 0.63 H new ATOM 0 HB2 GLU A 95 2.441 -13.043 -11.766 1.00 0.71 H new ATOM 0 HB3 GLU A 95 2.065 -12.482 -13.383 1.00 0.71 H new ATOM 0 HG2 GLU A 95 3.751 -14.869 -12.600 1.00 0.88 H new ATOM 0 HG3 GLU A 95 2.196 -14.874 -13.409 1.00 0.88 H new ATOM 974 N LEU A 96 3.506 -10.770 -10.623 1.00 0.46 N ATOM 975 CA LEU A 96 3.295 -9.619 -9.730 1.00 0.41 C ATOM 976 C LEU A 96 4.527 -8.712 -9.747 1.00 0.40 C ATOM 977 O LEU A 96 4.382 -7.505 -9.912 1.00 0.45 O ATOM 978 CB LEU A 96 3.042 -10.021 -8.254 1.00 0.44 C ATOM 979 CG LEU A 96 1.741 -10.747 -7.873 1.00 0.49 C ATOM 980 CD1 LEU A 96 1.765 -11.039 -6.364 1.00 0.59 C ATOM 981 CD2 LEU A 96 0.496 -9.911 -8.159 1.00 0.65 C ATOM 0 H LEU A 96 3.557 -11.658 -10.125 1.00 0.46 H new ATOM 0 HA LEU A 96 2.407 -9.112 -10.108 1.00 0.41 H new ATOM 0 HB2 LEU A 96 3.872 -10.656 -7.943 1.00 0.44 H new ATOM 0 HB3 LEU A 96 3.094 -9.112 -7.656 1.00 0.44 H new ATOM 0 HG LEU A 96 1.690 -11.656 -8.472 1.00 0.49 H new ATOM 0 HD11 LEU A 96 0.848 -11.554 -6.078 1.00 0.59 H new ATOM 0 HD12 LEU A 96 2.623 -11.669 -6.129 1.00 0.59 H new ATOM 0 HD13 LEU A 96 1.841 -10.102 -5.813 1.00 0.59 H new ATOM 0 HD21 LEU A 96 -0.393 -10.472 -7.871 1.00 0.65 H new ATOM 0 HD22 LEU A 96 0.541 -8.984 -7.587 1.00 0.65 H new ATOM 0 HD23 LEU A 96 0.450 -9.679 -9.223 1.00 0.65 H new ATOM 993 N ARG A 97 5.730 -9.290 -9.596 1.00 0.39 N ATOM 994 CA ARG A 97 7.013 -8.549 -9.556 1.00 0.43 C ATOM 995 C ARG A 97 7.171 -7.631 -10.768 1.00 0.43 C ATOM 996 O ARG A 97 7.271 -6.409 -10.642 1.00 0.43 O ATOM 997 CB ARG A 97 8.167 -9.566 -9.466 1.00 0.54 C ATOM 998 CG ARG A 97 9.558 -8.951 -9.268 1.00 0.84 C ATOM 999 CD ARG A 97 10.600 -10.045 -8.993 1.00 0.92 C ATOM 1000 NE ARG A 97 10.911 -10.888 -10.163 1.00 2.11 N ATOM 1001 CZ ARG A 97 11.637 -11.991 -10.139 1.00 2.44 C ATOM 1002 NH1 ARG A 97 12.249 -12.411 -9.071 1.00 1.64 N ATOM 1003 NH2 ARG A 97 11.774 -12.694 -11.222 1.00 3.91 N ATOM 0 H ARG A 97 5.846 -10.298 -9.496 1.00 0.39 H new ATOM 0 HA ARG A 97 7.028 -7.904 -8.678 1.00 0.43 H new ATOM 0 HB2 ARG A 97 7.967 -10.248 -8.640 1.00 0.54 H new ATOM 0 HB3 ARG A 97 8.177 -10.164 -10.378 1.00 0.54 H new ATOM 0 HG2 ARG A 97 9.842 -8.387 -10.156 1.00 0.84 H new ATOM 0 HG3 ARG A 97 9.535 -8.246 -8.437 1.00 0.84 H new ATOM 0 HD2 ARG A 97 11.519 -9.576 -8.642 1.00 0.92 H new ATOM 0 HD3 ARG A 97 10.238 -10.682 -8.186 1.00 0.92 H new ATOM 0 HE ARG A 97 10.534 -10.595 -11.065 1.00 2.11 H new ATOM 0 HH11 ARG A 97 12.180 -11.882 -8.202 1.00 1.64 H new ATOM 0 HH12 ARG A 97 12.798 -13.270 -9.102 1.00 1.64 H new ATOM 0 HH21 ARG A 97 11.322 -12.394 -12.086 1.00 3.91 H new ATOM 0 HH22 ARG A 97 12.334 -13.547 -11.209 1.00 3.91 H new ATOM 1017 N GLN A 98 7.114 -8.224 -11.955 1.00 0.45 N ATOM 1018 CA GLN A 98 7.236 -7.520 -13.224 1.00 0.50 C ATOM 1019 C GLN A 98 6.055 -6.581 -13.455 1.00 0.51 C ATOM 1020 O GLN A 98 6.248 -5.409 -13.815 1.00 0.54 O ATOM 1021 CB GLN A 98 7.360 -8.588 -14.326 1.00 0.57 C ATOM 1022 CG GLN A 98 7.905 -8.095 -15.671 1.00 0.98 C ATOM 1023 CD GLN A 98 7.980 -9.251 -16.669 1.00 1.83 C ATOM 1024 OE1 GLN A 98 8.987 -9.936 -16.804 1.00 2.44 O ATOM 1025 NE2 GLN A 98 6.913 -9.550 -17.372 1.00 2.49 N ATOM 0 H GLN A 98 6.979 -9.229 -12.063 1.00 0.45 H new ATOM 0 HA GLN A 98 8.119 -6.881 -13.229 1.00 0.50 H new ATOM 0 HB2 GLN A 98 8.008 -9.385 -13.962 1.00 0.57 H new ATOM 0 HB3 GLN A 98 6.377 -9.028 -14.492 1.00 0.57 H new ATOM 0 HG2 GLN A 98 7.263 -7.307 -16.064 1.00 0.98 H new ATOM 0 HG3 GLN A 98 8.895 -7.660 -15.533 1.00 0.98 H new ATOM 0 HE21 GLN A 98 6.065 -8.992 -17.274 1.00 2.49 H new ATOM 0 HE22 GLN A 98 6.932 -10.340 -18.016 1.00 2.49 H new ATOM 1034 N GLY A 99 4.852 -7.082 -13.147 1.00 0.48 N ATOM 1035 CA GLY A 99 3.622 -6.309 -13.238 1.00 0.50 C ATOM 1036 C GLY A 99 3.676 -5.003 -12.446 1.00 0.48 C ATOM 1037 O GLY A 99 3.284 -3.966 -12.977 1.00 0.52 O ATOM 0 H GLY A 99 4.711 -8.040 -12.827 1.00 0.48 H new ATOM 0 HA2 GLY A 99 3.418 -6.084 -14.285 1.00 0.50 H new ATOM 0 HA3 GLY A 99 2.792 -6.914 -12.874 1.00 0.50 H new ATOM 1041 N ILE A 100 4.207 -5.017 -11.217 1.00 0.45 N ATOM 1042 CA ILE A 100 4.188 -3.865 -10.311 1.00 0.46 C ATOM 1043 C ILE A 100 5.364 -2.922 -10.548 1.00 0.48 C ATOM 1044 O ILE A 100 5.185 -1.698 -10.520 1.00 0.56 O ATOM 1045 CB ILE A 100 4.060 -4.334 -8.864 1.00 0.46 C ATOM 1046 CG1 ILE A 100 3.422 -3.252 -7.988 1.00 0.48 C ATOM 1047 CG2 ILE A 100 5.385 -4.776 -8.218 1.00 0.49 C ATOM 1048 CD1 ILE A 100 2.069 -2.660 -8.408 1.00 0.55 C ATOM 0 H ILE A 100 4.666 -5.837 -10.821 1.00 0.45 H new ATOM 0 HA ILE A 100 3.305 -3.265 -10.531 1.00 0.46 H new ATOM 0 HB ILE A 100 3.420 -5.215 -8.917 1.00 0.46 H new ATOM 0 HG12 ILE A 100 3.304 -3.666 -6.987 1.00 0.48 H new ATOM 0 HG13 ILE A 100 4.132 -2.429 -7.911 1.00 0.48 H new ATOM 0 HG21 ILE A 100 5.201 -5.093 -7.191 1.00 0.49 H new ATOM 0 HG22 ILE A 100 5.807 -5.606 -8.784 1.00 0.49 H new ATOM 0 HG23 ILE A 100 6.087 -3.942 -8.220 1.00 0.49 H new ATOM 0 HD11 ILE A 100 1.759 -1.909 -7.681 1.00 0.55 H new ATOM 0 HD12 ILE A 100 2.164 -2.197 -9.390 1.00 0.55 H new ATOM 0 HD13 ILE A 100 1.323 -3.453 -8.451 1.00 0.55 H new ATOM 1060 N LYS A 101 6.543 -3.485 -10.865 1.00 0.46 N ATOM 1061 CA LYS A 101 7.711 -2.709 -11.297 1.00 0.52 C ATOM 1062 C LYS A 101 7.411 -1.909 -12.560 1.00 0.56 C ATOM 1063 O LYS A 101 7.901 -0.785 -12.672 1.00 0.64 O ATOM 1064 CB LYS A 101 8.921 -3.633 -11.506 1.00 0.56 C ATOM 1065 CG LYS A 101 9.538 -4.088 -10.171 1.00 0.61 C ATOM 1066 CD LYS A 101 10.651 -5.129 -10.370 1.00 0.71 C ATOM 1067 CE LYS A 101 11.889 -4.535 -11.056 1.00 1.20 C ATOM 1068 NZ LYS A 101 12.700 -5.576 -11.724 1.00 1.41 N ATOM 0 H LYS A 101 6.710 -4.491 -10.828 1.00 0.46 H new ATOM 0 HA LYS A 101 7.953 -1.996 -10.509 1.00 0.52 H new ATOM 0 HB2 LYS A 101 8.614 -4.507 -12.080 1.00 0.56 H new ATOM 0 HB3 LYS A 101 9.676 -3.113 -12.096 1.00 0.56 H new ATOM 0 HG2 LYS A 101 9.942 -3.223 -9.646 1.00 0.61 H new ATOM 0 HG3 LYS A 101 8.758 -4.510 -9.537 1.00 0.61 H new ATOM 0 HD2 LYS A 101 10.937 -5.541 -9.402 1.00 0.71 H new ATOM 0 HD3 LYS A 101 10.269 -5.956 -10.968 1.00 0.71 H new ATOM 0 HE2 LYS A 101 11.576 -3.792 -11.789 1.00 1.20 H new ATOM 0 HE3 LYS A 101 12.500 -4.017 -10.317 1.00 1.20 H new ATOM 0 HZ1 LYS A 101 13.527 -5.135 -12.175 1.00 1.41 H new ATOM 0 HZ2 LYS A 101 13.020 -6.272 -11.020 1.00 1.41 H new ATOM 0 HZ3 LYS A 101 12.125 -6.054 -12.447 1.00 1.41 H new ATOM 1082 N ASP A 102 6.583 -2.423 -13.477 1.00 0.55 N ATOM 1083 CA ASP A 102 6.132 -1.618 -14.621 1.00 0.63 C ATOM 1084 C ASP A 102 4.942 -0.689 -14.285 1.00 0.67 C ATOM 1085 O ASP A 102 5.008 0.505 -14.579 1.00 0.76 O ATOM 1086 CB ASP A 102 5.892 -2.514 -15.843 1.00 0.78 C ATOM 1087 CG ASP A 102 5.895 -1.702 -17.142 1.00 1.11 C ATOM 1088 OD1 ASP A 102 6.972 -1.188 -17.531 1.00 2.25 O ATOM 1089 OD2 ASP A 102 4.823 -1.594 -17.784 1.00 1.43 O ATOM 0 H ASP A 102 6.217 -3.375 -13.453 1.00 0.55 H new ATOM 0 HA ASP A 102 6.936 -0.928 -14.879 1.00 0.63 H new ATOM 0 HB2 ASP A 102 6.665 -3.282 -15.890 1.00 0.78 H new ATOM 0 HB3 ASP A 102 4.937 -3.029 -15.736 1.00 0.78 H new ATOM 1094 N TYR A 103 3.891 -1.166 -13.597 1.00 0.63 N ATOM 1095 CA TYR A 103 2.677 -0.383 -13.293 1.00 0.68 C ATOM 1096 C TYR A 103 2.946 0.883 -12.468 1.00 0.78 C ATOM 1097 O TYR A 103 2.339 1.927 -12.713 1.00 0.91 O ATOM 1098 CB TYR A 103 1.680 -1.275 -12.548 1.00 0.60 C ATOM 1099 CG TYR A 103 0.277 -0.720 -12.409 1.00 0.55 C ATOM 1100 CD1 TYR A 103 -0.077 0.079 -11.305 1.00 1.61 C ATOM 1101 CD2 TYR A 103 -0.695 -1.091 -13.353 1.00 1.91 C ATOM 1102 CE1 TYR A 103 -1.425 0.474 -11.128 1.00 1.62 C ATOM 1103 CE2 TYR A 103 -2.043 -0.727 -13.158 1.00 1.92 C ATOM 1104 CZ TYR A 103 -2.407 0.064 -12.056 1.00 0.64 C ATOM 1105 OH TYR A 103 -3.706 0.445 -11.950 1.00 0.77 O ATOM 0 H TYR A 103 3.858 -2.118 -13.231 1.00 0.63 H new ATOM 0 HA TYR A 103 2.273 -0.047 -14.248 1.00 0.68 H new ATOM 0 HB2 TYR A 103 1.622 -2.233 -13.064 1.00 0.60 H new ATOM 0 HB3 TYR A 103 2.073 -1.473 -11.551 1.00 0.60 H new ATOM 0 HD1 TYR A 103 0.677 0.389 -10.596 1.00 1.61 H new ATOM 0 HD2 TYR A 103 -0.409 -1.655 -14.228 1.00 1.91 H new ATOM 0 HE1 TYR A 103 -1.702 1.088 -10.284 1.00 1.62 H new ATOM 0 HE2 TYR A 103 -2.797 -1.057 -13.857 1.00 1.92 H new ATOM 0 HH TYR A 103 -4.222 0.058 -12.688 1.00 0.77 H new ATOM 1115 N SER A 104 3.886 0.815 -11.522 1.00 0.76 N ATOM 1116 CA SER A 104 4.360 1.968 -10.735 1.00 0.87 C ATOM 1117 C SER A 104 5.593 2.664 -11.330 1.00 0.95 C ATOM 1118 O SER A 104 6.038 3.703 -10.834 1.00 1.15 O ATOM 1119 CB SER A 104 4.674 1.502 -9.319 1.00 0.90 C ATOM 1120 OG SER A 104 5.811 0.646 -9.298 1.00 2.15 O ATOM 0 H SER A 104 4.351 -0.058 -11.273 1.00 0.76 H new ATOM 0 HA SER A 104 3.559 2.707 -10.745 1.00 0.87 H new ATOM 0 HB2 SER A 104 4.855 2.367 -8.681 1.00 0.90 H new ATOM 0 HB3 SER A 104 3.812 0.977 -8.907 1.00 0.90 H new ATOM 0 HG SER A 104 5.560 -0.240 -9.634 1.00 2.15 H new ATOM 1126 N ASN A 105 6.157 2.068 -12.384 1.00 0.87 N ATOM 1127 CA ASN A 105 7.432 2.382 -13.024 1.00 0.93 C ATOM 1128 C ASN A 105 8.694 2.354 -12.122 1.00 0.88 C ATOM 1129 O ASN A 105 9.773 2.703 -12.609 1.00 1.15 O ATOM 1130 CB ASN A 105 7.272 3.702 -13.796 1.00 1.14 C ATOM 1131 CG ASN A 105 7.702 3.602 -15.238 1.00 1.47 C ATOM 1132 OD1 ASN A 105 6.883 3.543 -16.147 1.00 1.59 O ATOM 1133 ND2 ASN A 105 8.981 3.551 -15.493 1.00 1.91 N ATOM 0 H ASN A 105 5.692 1.288 -12.849 1.00 0.87 H new ATOM 0 HA ASN A 105 7.647 1.559 -13.705 1.00 0.93 H new ATOM 0 HB2 ASN A 105 6.229 4.015 -13.755 1.00 1.14 H new ATOM 0 HB3 ASN A 105 7.857 4.478 -13.302 1.00 1.14 H new ATOM 0 HD21 ASN A 105 9.306 3.461 -16.456 1.00 1.91 H new ATOM 0 HD22 ASN A 105 9.656 3.601 -14.730 1.00 1.91 H new ATOM 1140 N TRP A 106 8.602 1.967 -10.839 1.00 0.83 N ATOM 1141 CA TRP A 106 9.712 2.025 -9.876 1.00 0.80 C ATOM 1142 C TRP A 106 10.291 0.624 -9.600 1.00 0.78 C ATOM 1143 O TRP A 106 9.515 -0.308 -9.370 1.00 0.87 O ATOM 1144 CB TRP A 106 9.273 2.724 -8.573 1.00 0.90 C ATOM 1145 CG TRP A 106 10.201 3.810 -8.123 1.00 0.87 C ATOM 1146 CD1 TRP A 106 11.039 3.746 -7.065 1.00 0.88 C ATOM 1147 CD2 TRP A 106 10.432 5.117 -8.735 1.00 1.00 C ATOM 1148 NE1 TRP A 106 11.746 4.928 -6.948 1.00 0.94 N ATOM 1149 CE2 TRP A 106 11.441 5.791 -7.980 1.00 1.06 C ATOM 1150 CE3 TRP A 106 9.918 5.787 -9.869 1.00 1.20 C ATOM 1151 CZ2 TRP A 106 11.922 7.059 -8.337 1.00 1.34 C ATOM 1152 CZ3 TRP A 106 10.400 7.061 -10.236 1.00 1.51 C ATOM 1153 CH2 TRP A 106 11.404 7.692 -9.479 1.00 1.59 C ATOM 0 H TRP A 106 7.740 1.599 -10.436 1.00 0.83 H new ATOM 0 HA TRP A 106 10.510 2.621 -10.320 1.00 0.80 H new ATOM 0 HB2 TRP A 106 8.278 3.146 -8.716 1.00 0.90 H new ATOM 0 HB3 TRP A 106 9.192 1.978 -7.782 1.00 0.90 H new ATOM 0 HD1 TRP A 106 11.141 2.896 -6.407 1.00 0.88 H new ATOM 0 HE1 TRP A 106 12.406 5.135 -6.198 1.00 0.94 H new ATOM 0 HE3 TRP A 106 9.147 5.318 -10.462 1.00 1.20 H new ATOM 0 HZ2 TRP A 106 12.682 7.543 -7.741 1.00 1.34 H new ATOM 0 HZ3 TRP A 106 9.995 7.556 -11.106 1.00 1.51 H new ATOM 0 HH2 TRP A 106 11.776 8.662 -9.775 1.00 1.59 H new ATOM 1164 N PRO A 107 11.629 0.448 -9.572 1.00 0.75 N ATOM 1165 CA PRO A 107 12.255 -0.877 -9.506 1.00 0.76 C ATOM 1166 C PRO A 107 12.083 -1.624 -8.170 1.00 0.68 C ATOM 1167 O PRO A 107 12.087 -2.852 -8.185 1.00 0.70 O ATOM 1168 CB PRO A 107 13.732 -0.651 -9.855 1.00 0.84 C ATOM 1169 CG PRO A 107 13.978 0.820 -9.525 1.00 0.98 C ATOM 1170 CD PRO A 107 12.635 1.473 -9.822 1.00 0.79 C ATOM 0 HA PRO A 107 11.755 -1.544 -10.208 1.00 0.76 H new ATOM 0 HB2 PRO A 107 14.383 -1.303 -9.272 1.00 0.84 H new ATOM 0 HB3 PRO A 107 13.929 -0.861 -10.906 1.00 0.84 H new ATOM 0 HG2 PRO A 107 14.270 0.956 -8.484 1.00 0.98 H new ATOM 0 HG3 PRO A 107 14.775 1.242 -10.137 1.00 0.98 H new ATOM 0 HD2 PRO A 107 12.474 2.342 -9.185 1.00 0.79 H new ATOM 0 HD3 PRO A 107 12.590 1.822 -10.854 1.00 0.79 H new ATOM 1178 N THR A 108 11.918 -0.922 -7.038 1.00 0.68 N ATOM 1179 CA THR A 108 11.432 -1.446 -5.730 1.00 0.91 C ATOM 1180 C THR A 108 11.273 -0.306 -4.714 1.00 0.77 C ATOM 1181 O THR A 108 12.249 0.289 -4.247 1.00 1.29 O ATOM 1182 CB THR A 108 12.348 -2.505 -5.079 1.00 1.43 C ATOM 1183 OG1 THR A 108 12.255 -3.740 -5.756 1.00 2.68 O ATOM 1184 CG2 THR A 108 11.983 -2.857 -3.629 1.00 2.38 C ATOM 0 H THR A 108 12.127 0.076 -6.997 1.00 0.68 H new ATOM 0 HA THR A 108 10.481 -1.922 -5.970 1.00 0.91 H new ATOM 0 HB THR A 108 13.335 -2.045 -5.126 1.00 1.43 H new ATOM 0 HG1 THR A 108 12.529 -3.623 -6.690 1.00 2.68 H new ATOM 0 HG21 THR A 108 12.677 -3.607 -3.251 1.00 2.38 H new ATOM 0 HG22 THR A 108 12.045 -1.961 -3.011 1.00 2.38 H new ATOM 0 HG23 THR A 108 10.968 -3.252 -3.595 1.00 2.38 H new ATOM 1192 N ILE A 109 10.023 -0.048 -4.346 1.00 0.74 N ATOM 1193 CA ILE A 109 9.524 0.692 -3.172 1.00 0.71 C ATOM 1194 C ILE A 109 8.245 -0.019 -2.665 1.00 0.77 C ATOM 1195 O ILE A 109 7.460 -0.441 -3.515 1.00 1.25 O ATOM 1196 CB ILE A 109 9.249 2.159 -3.603 1.00 1.10 C ATOM 1197 CG1 ILE A 109 10.517 3.044 -3.641 1.00 2.12 C ATOM 1198 CG2 ILE A 109 8.170 2.861 -2.772 1.00 1.27 C ATOM 1199 CD1 ILE A 109 11.200 3.305 -2.294 1.00 3.65 C ATOM 0 H ILE A 109 9.246 -0.383 -4.916 1.00 0.74 H new ATOM 0 HA ILE A 109 10.249 0.710 -2.358 1.00 0.71 H new ATOM 0 HB ILE A 109 8.875 2.049 -4.621 1.00 1.10 H new ATOM 0 HG12 ILE A 109 11.242 2.576 -4.308 1.00 2.12 H new ATOM 0 HG13 ILE A 109 10.251 4.005 -4.082 1.00 2.12 H new ATOM 0 HG21 ILE A 109 8.037 3.880 -3.135 1.00 1.27 H new ATOM 0 HG22 ILE A 109 7.230 2.318 -2.863 1.00 1.27 H new ATOM 0 HG23 ILE A 109 8.475 2.885 -1.726 1.00 1.27 H new ATOM 0 HD11 ILE A 109 12.076 3.936 -2.446 1.00 3.65 H new ATOM 0 HD12 ILE A 109 10.503 3.808 -1.624 1.00 3.65 H new ATOM 0 HD13 ILE A 109 11.508 2.357 -1.853 1.00 3.65 H new ATOM 1211 N PRO A 110 7.951 -0.143 -1.347 1.00 0.63 N ATOM 1212 CA PRO A 110 6.645 -0.657 -0.916 1.00 0.68 C ATOM 1213 C PRO A 110 5.540 0.356 -1.189 1.00 0.45 C ATOM 1214 O PRO A 110 5.741 1.547 -0.946 1.00 0.50 O ATOM 1215 CB PRO A 110 6.744 -0.960 0.578 1.00 1.01 C ATOM 1216 CG PRO A 110 8.243 -1.100 0.777 1.00 0.54 C ATOM 1217 CD PRO A 110 8.831 -0.074 -0.188 1.00 0.61 C ATOM 0 HA PRO A 110 6.392 -1.559 -1.474 1.00 0.68 H new ATOM 0 HB2 PRO A 110 6.326 -0.157 1.185 1.00 1.01 H new ATOM 0 HB3 PRO A 110 6.211 -1.872 0.845 1.00 1.01 H new ATOM 0 HG2 PRO A 110 8.532 -0.893 1.807 1.00 0.54 H new ATOM 0 HG3 PRO A 110 8.585 -2.109 0.547 1.00 0.54 H new ATOM 0 HD2 PRO A 110 8.841 0.925 0.248 1.00 0.61 H new ATOM 0 HD3 PRO A 110 9.860 -0.317 -0.452 1.00 0.61 H new ATOM 1225 N GLN A 111 4.381 -0.093 -1.671 1.00 0.35 N ATOM 1226 CA GLN A 111 3.322 0.792 -2.164 1.00 0.40 C ATOM 1227 C GLN A 111 1.968 0.458 -1.539 1.00 0.35 C ATOM 1228 O GLN A 111 1.751 -0.661 -1.060 1.00 0.34 O ATOM 1229 CB GLN A 111 3.263 0.705 -3.697 1.00 0.70 C ATOM 1230 CG GLN A 111 4.501 1.317 -4.373 1.00 0.99 C ATOM 1231 CD GLN A 111 4.672 0.888 -5.824 1.00 1.14 C ATOM 1232 OE1 GLN A 111 3.835 0.226 -6.426 1.00 1.94 O ATOM 1233 NE2 GLN A 111 5.767 1.264 -6.445 1.00 1.60 N ATOM 0 H GLN A 111 4.148 -1.084 -1.731 1.00 0.35 H new ATOM 0 HA GLN A 111 3.557 1.815 -1.870 1.00 0.40 H new ATOM 0 HB2 GLN A 111 3.171 -0.340 -3.994 1.00 0.70 H new ATOM 0 HB3 GLN A 111 2.369 1.218 -4.052 1.00 0.70 H new ATOM 0 HG2 GLN A 111 4.430 2.404 -4.329 1.00 0.99 H new ATOM 0 HG3 GLN A 111 5.391 1.033 -3.811 1.00 0.99 H new ATOM 0 HE21 GLN A 111 6.469 1.815 -5.952 1.00 1.60 H new ATOM 0 HE22 GLN A 111 5.915 1.005 -7.420 1.00 1.60 H new ATOM 1242 N VAL A 112 1.038 1.417 -1.559 1.00 0.37 N ATOM 1243 CA VAL A 112 -0.336 1.193 -1.133 1.00 0.29 C ATOM 1244 C VAL A 112 -1.285 1.926 -2.066 1.00 0.33 C ATOM 1245 O VAL A 112 -1.056 3.082 -2.435 1.00 0.55 O ATOM 1246 CB VAL A 112 -0.514 1.541 0.352 1.00 0.33 C ATOM 1247 CG1 VAL A 112 -0.334 3.021 0.702 1.00 0.43 C ATOM 1248 CG2 VAL A 112 -1.873 1.055 0.865 1.00 0.34 C ATOM 0 H VAL A 112 1.222 2.370 -1.872 1.00 0.37 H new ATOM 0 HA VAL A 112 -0.585 0.134 -1.207 1.00 0.29 H new ATOM 0 HB VAL A 112 0.299 1.016 0.854 1.00 0.33 H new ATOM 0 HG11 VAL A 112 -0.480 3.162 1.773 1.00 0.43 H new ATOM 0 HG12 VAL A 112 0.671 3.340 0.428 1.00 0.43 H new ATOM 0 HG13 VAL A 112 -1.065 3.616 0.155 1.00 0.43 H new ATOM 0 HG21 VAL A 112 -1.977 1.312 1.919 1.00 0.34 H new ATOM 0 HG22 VAL A 112 -2.669 1.533 0.294 1.00 0.34 H new ATOM 0 HG23 VAL A 112 -1.941 -0.026 0.747 1.00 0.34 H new ATOM 1258 N TYR A 113 -2.332 1.213 -2.467 1.00 0.26 N ATOM 1259 CA TYR A 113 -3.352 1.697 -3.387 1.00 0.28 C ATOM 1260 C TYR A 113 -4.685 1.710 -2.639 1.00 0.32 C ATOM 1261 O TYR A 113 -5.144 0.669 -2.155 1.00 0.45 O ATOM 1262 CB TYR A 113 -3.373 0.832 -4.659 1.00 0.35 C ATOM 1263 CG TYR A 113 -2.078 0.838 -5.467 1.00 0.45 C ATOM 1264 CD1 TYR A 113 -0.945 0.151 -4.989 1.00 1.51 C ATOM 1265 CD2 TYR A 113 -2.009 1.489 -6.714 1.00 1.43 C ATOM 1266 CE1 TYR A 113 0.254 0.127 -5.725 1.00 1.59 C ATOM 1267 CE2 TYR A 113 -0.814 1.450 -7.464 1.00 1.48 C ATOM 1268 CZ TYR A 113 0.325 0.785 -6.969 1.00 0.77 C ATOM 1269 OH TYR A 113 1.476 0.790 -7.694 1.00 0.96 O ATOM 0 H TYR A 113 -2.498 0.257 -2.152 1.00 0.26 H new ATOM 0 HA TYR A 113 -3.140 2.712 -3.724 1.00 0.28 H new ATOM 0 HB2 TYR A 113 -3.603 -0.196 -4.377 1.00 0.35 H new ATOM 0 HB3 TYR A 113 -4.185 1.176 -5.300 1.00 0.35 H new ATOM 0 HD1 TYR A 113 -0.997 -0.366 -4.042 1.00 1.51 H new ATOM 0 HD2 TYR A 113 -2.870 2.018 -7.096 1.00 1.43 H new ATOM 0 HE1 TYR A 113 1.117 -0.394 -5.338 1.00 1.59 H new ATOM 0 HE2 TYR A 113 -0.772 1.935 -8.428 1.00 1.48 H new ATOM 0 HH TYR A 113 2.234 0.587 -7.106 1.00 0.96 H new ATOM 1279 N LEU A 114 -5.283 2.897 -2.497 1.00 0.26 N ATOM 1280 CA LEU A 114 -6.549 3.075 -1.786 1.00 0.27 C ATOM 1281 C LEU A 114 -7.696 3.159 -2.772 1.00 0.30 C ATOM 1282 O LEU A 114 -7.685 4.006 -3.666 1.00 0.33 O ATOM 1283 CB LEU A 114 -6.522 4.248 -0.793 1.00 0.30 C ATOM 1284 CG LEU A 114 -6.258 3.808 0.660 1.00 0.32 C ATOM 1285 CD1 LEU A 114 -4.872 3.210 0.857 1.00 0.33 C ATOM 1286 CD2 LEU A 114 -6.439 4.996 1.602 1.00 0.43 C ATOM 0 H LEU A 114 -4.900 3.764 -2.874 1.00 0.26 H new ATOM 0 HA LEU A 114 -6.708 2.193 -1.165 1.00 0.27 H new ATOM 0 HB2 LEU A 114 -5.751 4.955 -1.097 1.00 0.30 H new ATOM 0 HB3 LEU A 114 -7.475 4.776 -0.838 1.00 0.30 H new ATOM 0 HG LEU A 114 -6.982 3.026 0.889 1.00 0.32 H new ATOM 0 HD11 LEU A 114 -4.746 2.919 1.900 1.00 0.33 H new ATOM 0 HD12 LEU A 114 -4.760 2.333 0.220 1.00 0.33 H new ATOM 0 HD13 LEU A 114 -4.116 3.949 0.592 1.00 0.33 H new ATOM 0 HD21 LEU A 114 -6.251 4.679 2.628 1.00 0.43 H new ATOM 0 HD22 LEU A 114 -5.737 5.785 1.332 1.00 0.43 H new ATOM 0 HD23 LEU A 114 -7.458 5.373 1.520 1.00 0.43 H new ATOM 1298 N ASN A 115 -8.687 2.278 -2.596 1.00 0.33 N ATOM 1299 CA ASN A 115 -9.822 2.164 -3.514 1.00 0.37 C ATOM 1300 C ASN A 115 -9.390 1.842 -4.972 1.00 0.41 C ATOM 1301 O ASN A 115 -10.065 2.202 -5.938 1.00 0.57 O ATOM 1302 CB ASN A 115 -10.643 3.453 -3.358 1.00 0.41 C ATOM 1303 CG ASN A 115 -12.129 3.234 -3.215 1.00 0.65 C ATOM 1304 OD1 ASN A 115 -12.650 2.129 -3.205 1.00 1.06 O ATOM 1305 ND2 ASN A 115 -12.847 4.287 -2.942 1.00 0.66 N ATOM 0 H ASN A 115 -8.723 1.625 -1.813 1.00 0.33 H new ATOM 0 HA ASN A 115 -10.448 1.308 -3.261 1.00 0.37 H new ATOM 0 HB2 ASN A 115 -10.282 3.995 -2.484 1.00 0.41 H new ATOM 0 HB3 ASN A 115 -10.464 4.090 -4.224 1.00 0.41 H new ATOM 0 HD21 ASN A 115 -13.838 4.186 -2.722 1.00 0.66 H new ATOM 0 HD22 ASN A 115 -12.418 5.212 -2.949 1.00 0.66 H new ATOM 1312 N GLY A 116 -8.223 1.204 -5.127 1.00 0.39 N ATOM 1313 CA GLY A 116 -7.460 1.030 -6.362 1.00 0.44 C ATOM 1314 C GLY A 116 -6.579 2.189 -6.844 1.00 0.51 C ATOM 1315 O GLY A 116 -5.768 1.970 -7.740 1.00 0.90 O ATOM 0 H GLY A 116 -7.757 0.765 -4.333 1.00 0.39 H new ATOM 0 HA2 GLY A 116 -6.820 0.156 -6.237 1.00 0.44 H new ATOM 0 HA3 GLY A 116 -8.166 0.796 -7.159 1.00 0.44 H new ATOM 1319 N GLU A 117 -6.686 3.404 -6.306 1.00 0.37 N ATOM 1320 CA GLU A 117 -5.934 4.556 -6.806 1.00 0.42 C ATOM 1321 C GLU A 117 -4.578 4.647 -6.119 1.00 0.38 C ATOM 1322 O GLU A 117 -4.438 4.383 -4.924 1.00 0.33 O ATOM 1323 CB GLU A 117 -6.788 5.822 -6.703 1.00 0.53 C ATOM 1324 CG GLU A 117 -6.130 7.115 -7.149 1.00 0.71 C ATOM 1325 CD GLU A 117 -7.090 8.313 -7.042 1.00 1.03 C ATOM 1326 OE1 GLU A 117 -8.037 8.442 -7.857 1.00 1.56 O ATOM 1327 OE2 GLU A 117 -6.906 9.180 -6.154 1.00 1.80 O ATOM 0 H GLU A 117 -7.293 3.617 -5.515 1.00 0.37 H new ATOM 0 HA GLU A 117 -5.711 4.433 -7.866 1.00 0.42 H new ATOM 0 HB2 GLU A 117 -7.691 5.675 -7.296 1.00 0.53 H new ATOM 0 HB3 GLU A 117 -7.103 5.939 -5.666 1.00 0.53 H new ATOM 0 HG2 GLU A 117 -5.246 7.302 -6.539 1.00 0.71 H new ATOM 0 HG3 GLU A 117 -5.790 7.013 -8.180 1.00 0.71 H new ATOM 1334 N PHE A 118 -3.565 4.996 -6.904 1.00 0.49 N ATOM 1335 CA PHE A 118 -2.193 5.111 -6.440 1.00 0.54 C ATOM 1336 C PHE A 118 -1.930 6.461 -5.788 1.00 0.61 C ATOM 1337 O PHE A 118 -2.364 7.530 -6.223 1.00 0.82 O ATOM 1338 CB PHE A 118 -1.240 4.860 -7.597 1.00 0.73 C ATOM 1339 CG PHE A 118 0.242 4.708 -7.286 1.00 0.87 C ATOM 1340 CD1 PHE A 118 0.767 4.339 -6.023 1.00 1.95 C ATOM 1341 CD2 PHE A 118 1.112 4.910 -8.367 1.00 1.91 C ATOM 1342 CE1 PHE A 118 2.156 4.170 -5.874 1.00 2.06 C ATOM 1343 CE2 PHE A 118 2.500 4.748 -8.213 1.00 2.00 C ATOM 1344 CZ PHE A 118 3.021 4.367 -6.965 1.00 1.25 C ATOM 0 H PHE A 118 -3.679 5.210 -7.895 1.00 0.49 H new ATOM 0 HA PHE A 118 -2.023 4.355 -5.673 1.00 0.54 H new ATOM 0 HB2 PHE A 118 -1.568 3.955 -8.108 1.00 0.73 H new ATOM 0 HB3 PHE A 118 -1.350 5.683 -8.304 1.00 0.73 H new ATOM 0 HD1 PHE A 118 0.107 4.189 -5.182 1.00 1.95 H new ATOM 0 HD2 PHE A 118 0.711 5.193 -9.329 1.00 1.91 H new ATOM 0 HE1 PHE A 118 2.561 3.887 -4.914 1.00 2.06 H new ATOM 0 HE2 PHE A 118 3.162 4.916 -9.050 1.00 2.00 H new ATOM 0 HZ PHE A 118 4.085 4.226 -6.844 1.00 1.25 H new ATOM 1354 N VAL A 119 -1.231 6.334 -4.675 1.00 0.48 N ATOM 1355 CA VAL A 119 -1.569 6.997 -3.424 1.00 0.45 C ATOM 1356 C VAL A 119 -0.337 7.110 -2.550 1.00 0.48 C ATOM 1357 O VAL A 119 -0.169 8.124 -1.877 1.00 0.74 O ATOM 1358 CB VAL A 119 -2.676 6.135 -2.780 1.00 0.64 C ATOM 1359 CG1 VAL A 119 -2.643 5.887 -1.285 1.00 0.68 C ATOM 1360 CG2 VAL A 119 -4.008 6.818 -3.090 1.00 1.58 C ATOM 0 H VAL A 119 -0.394 5.755 -4.612 1.00 0.48 H new ATOM 0 HA VAL A 119 -1.926 8.017 -3.570 1.00 0.45 H new ATOM 0 HB VAL A 119 -2.520 5.146 -3.211 1.00 0.64 H new ATOM 0 HG11 VAL A 119 -3.491 5.264 -1.001 1.00 0.68 H new ATOM 0 HG12 VAL A 119 -1.715 5.379 -1.021 1.00 0.68 H new ATOM 0 HG13 VAL A 119 -2.699 6.839 -0.757 1.00 0.68 H new ATOM 0 HG21 VAL A 119 -4.823 6.241 -2.653 1.00 1.58 H new ATOM 0 HG22 VAL A 119 -4.008 7.823 -2.669 1.00 1.58 H new ATOM 0 HG23 VAL A 119 -4.144 6.877 -4.170 1.00 1.58 H new ATOM 1370 N GLY A 120 0.547 6.108 -2.603 1.00 0.46 N ATOM 1371 CA GLY A 120 1.736 6.103 -1.781 1.00 1.14 C ATOM 1372 C GLY A 120 2.806 5.086 -2.167 1.00 0.49 C ATOM 1373 O GLY A 120 2.485 3.920 -2.387 1.00 0.68 O ATOM 0 H GLY A 120 0.451 5.295 -3.211 1.00 0.46 H new ATOM 0 HA2 GLY A 120 2.180 7.098 -1.811 1.00 1.14 H new ATOM 0 HA3 GLY A 120 1.440 5.917 -0.749 1.00 1.14 H new ATOM 1377 N GLY A 121 4.072 5.514 -2.148 1.00 0.69 N ATOM 1378 CA GLY A 121 5.233 4.657 -1.863 1.00 0.48 C ATOM 1379 C GLY A 121 5.764 4.910 -0.446 1.00 0.46 C ATOM 1380 O GLY A 121 5.405 5.914 0.170 1.00 0.53 O ATOM 0 H GLY A 121 4.326 6.484 -2.334 1.00 0.69 H new ATOM 0 HA2 GLY A 121 4.952 3.609 -1.969 1.00 0.48 H new ATOM 0 HA3 GLY A 121 6.021 4.851 -2.591 1.00 0.48 H new ATOM 1384 N CYS A 122 6.606 4.031 0.105 1.00 0.42 N ATOM 1385 CA CYS A 122 6.991 4.102 1.520 1.00 0.46 C ATOM 1386 C CYS A 122 7.848 5.306 1.958 1.00 0.64 C ATOM 1387 O CYS A 122 7.909 5.615 3.151 1.00 0.95 O ATOM 1388 CB CYS A 122 7.591 2.754 1.930 1.00 0.59 C ATOM 1389 SG CYS A 122 7.309 2.600 3.711 1.00 1.01 S ATOM 0 H CYS A 122 7.035 3.260 -0.407 1.00 0.42 H new ATOM 0 HA CYS A 122 6.072 4.300 2.072 1.00 0.46 H new ATOM 0 HB2 CYS A 122 7.117 1.936 1.388 1.00 0.59 H new ATOM 0 HB3 CYS A 122 8.656 2.715 1.699 1.00 0.59 H new ATOM 0 HG CYS A 122 7.452 3.762 4.275 1.00 1.01 H new ATOM 1395 N ASP A 123 8.490 6.006 1.029 1.00 0.59 N ATOM 1396 CA ASP A 123 9.114 7.310 1.327 1.00 0.69 C ATOM 1397 C ASP A 123 8.086 8.453 1.344 1.00 0.71 C ATOM 1398 O ASP A 123 8.152 9.346 2.189 1.00 0.91 O ATOM 1399 CB ASP A 123 10.249 7.593 0.334 1.00 0.81 C ATOM 1400 CG ASP A 123 11.262 8.588 0.898 1.00 1.24 C ATOM 1401 OD1 ASP A 123 11.850 8.296 1.967 1.00 2.50 O ATOM 1402 OD2 ASP A 123 11.500 9.639 0.259 1.00 1.74 O ATOM 0 H ASP A 123 8.597 5.701 0.062 1.00 0.59 H new ATOM 0 HA ASP A 123 9.535 7.257 2.331 1.00 0.69 H new ATOM 0 HB2 ASP A 123 10.755 6.660 0.086 1.00 0.81 H new ATOM 0 HB3 ASP A 123 9.831 7.986 -0.593 1.00 0.81 H new ATOM 1407 N ILE A 124 7.086 8.381 0.462 1.00 0.59 N ATOM 1408 CA ILE A 124 5.986 9.353 0.355 1.00 0.60 C ATOM 1409 C ILE A 124 5.029 9.230 1.547 1.00 0.56 C ATOM 1410 O ILE A 124 4.605 10.235 2.116 1.00 0.53 O ATOM 1411 CB ILE A 124 5.273 9.204 -1.000 1.00 0.61 C ATOM 1412 CG1 ILE A 124 6.346 9.441 -2.093 1.00 0.77 C ATOM 1413 CG2 ILE A 124 4.081 10.176 -1.063 1.00 0.66 C ATOM 1414 CD1 ILE A 124 5.805 9.871 -3.444 1.00 1.50 C ATOM 0 H ILE A 124 7.014 7.625 -0.219 1.00 0.59 H new ATOM 0 HA ILE A 124 6.396 10.362 0.392 1.00 0.60 H new ATOM 0 HB ILE A 124 4.844 8.213 -1.151 1.00 0.61 H new ATOM 0 HG12 ILE A 124 7.041 10.202 -1.739 1.00 0.77 H new ATOM 0 HG13 ILE A 124 6.918 8.522 -2.224 1.00 0.77 H new ATOM 0 HG21 ILE A 124 3.576 10.070 -2.023 1.00 0.66 H new ATOM 0 HG22 ILE A 124 3.382 9.948 -0.258 1.00 0.66 H new ATOM 0 HG23 ILE A 124 4.440 11.199 -0.952 1.00 0.66 H new ATOM 0 HD11 ILE A 124 6.633 10.011 -4.139 1.00 1.50 H new ATOM 0 HD12 ILE A 124 5.134 9.103 -3.828 1.00 1.50 H new ATOM 0 HD13 ILE A 124 5.259 10.808 -3.336 1.00 1.50 H new ATOM 1426 N LEU A 125 4.739 8.001 1.985 1.00 0.56 N ATOM 1427 CA LEU A 125 3.860 7.719 3.121 1.00 0.49 C ATOM 1428 C LEU A 125 4.335 8.417 4.407 1.00 0.49 C ATOM 1429 O LEU A 125 3.510 8.891 5.188 1.00 0.46 O ATOM 1430 CB LEU A 125 3.789 6.191 3.315 1.00 0.50 C ATOM 1431 CG LEU A 125 2.671 5.734 4.271 1.00 0.74 C ATOM 1432 CD1 LEU A 125 1.277 5.970 3.689 1.00 1.01 C ATOM 1433 CD2 LEU A 125 2.788 4.234 4.524 1.00 0.63 C ATOM 0 H LEU A 125 5.117 7.159 1.551 1.00 0.56 H new ATOM 0 HA LEU A 125 2.867 8.115 2.907 1.00 0.49 H new ATOM 0 HB2 LEU A 125 3.639 5.718 2.344 1.00 0.50 H new ATOM 0 HB3 LEU A 125 4.747 5.838 3.697 1.00 0.50 H new ATOM 0 HG LEU A 125 2.790 6.316 5.185 1.00 0.74 H new ATOM 0 HD11 LEU A 125 0.524 5.632 4.400 1.00 1.01 H new ATOM 0 HD12 LEU A 125 1.140 7.033 3.493 1.00 1.01 H new ATOM 0 HD13 LEU A 125 1.173 5.413 2.758 1.00 1.01 H new ATOM 0 HD21 LEU A 125 1.995 3.916 5.201 1.00 0.63 H new ATOM 0 HD22 LEU A 125 2.696 3.697 3.580 1.00 0.63 H new ATOM 0 HD23 LEU A 125 3.757 4.015 4.973 1.00 0.63 H new ATOM 1445 N LEU A 126 5.658 8.537 4.585 1.00 0.57 N ATOM 1446 CA LEU A 126 6.258 9.242 5.727 1.00 0.64 C ATOM 1447 C LEU A 126 5.964 10.746 5.667 1.00 0.61 C ATOM 1448 O LEU A 126 5.687 11.358 6.691 1.00 0.83 O ATOM 1449 CB LEU A 126 7.784 8.988 5.800 1.00 0.81 C ATOM 1450 CG LEU A 126 8.370 8.669 7.188 1.00 0.95 C ATOM 1451 CD1 LEU A 126 8.191 9.815 8.182 1.00 0.95 C ATOM 1452 CD2 LEU A 126 7.772 7.403 7.802 1.00 1.02 C ATOM 0 H LEU A 126 6.344 8.147 3.939 1.00 0.57 H new ATOM 0 HA LEU A 126 5.803 8.844 6.634 1.00 0.64 H new ATOM 0 HB2 LEU A 126 8.023 8.160 5.132 1.00 0.81 H new ATOM 0 HB3 LEU A 126 8.294 9.869 5.410 1.00 0.81 H new ATOM 0 HG LEU A 126 9.434 8.514 7.007 1.00 0.95 H new ATOM 0 HD11 LEU A 126 8.623 9.534 9.143 1.00 0.95 H new ATOM 0 HD12 LEU A 126 8.694 10.706 7.805 1.00 0.95 H new ATOM 0 HD13 LEU A 126 7.129 10.024 8.309 1.00 0.95 H new ATOM 0 HD21 LEU A 126 8.221 7.226 8.779 1.00 1.02 H new ATOM 0 HD22 LEU A 126 6.695 7.527 7.914 1.00 1.02 H new ATOM 0 HD23 LEU A 126 7.973 6.553 7.151 1.00 1.02 H new ATOM 1464 N GLN A 127 5.951 11.353 4.483 1.00 0.57 N ATOM 1465 CA GLN A 127 5.567 12.755 4.323 1.00 0.55 C ATOM 1466 C GLN A 127 4.080 12.937 4.666 1.00 0.52 C ATOM 1467 O GLN A 127 3.698 13.693 5.563 1.00 0.53 O ATOM 1468 CB GLN A 127 5.841 13.206 2.881 1.00 0.59 C ATOM 1469 CG GLN A 127 7.177 12.766 2.260 1.00 0.65 C ATOM 1470 CD GLN A 127 8.384 12.869 3.186 1.00 0.73 C ATOM 1471 OE1 GLN A 127 8.725 13.911 3.732 1.00 0.86 O ATOM 1472 NE2 GLN A 127 9.057 11.767 3.427 1.00 0.74 N ATOM 0 H GLN A 127 6.205 10.890 3.610 1.00 0.57 H new ATOM 0 HA GLN A 127 6.158 13.368 5.003 1.00 0.55 H new ATOM 0 HB2 GLN A 127 5.034 12.834 2.250 1.00 0.59 H new ATOM 0 HB3 GLN A 127 5.794 14.295 2.851 1.00 0.59 H new ATOM 0 HG2 GLN A 127 7.082 11.733 1.925 1.00 0.65 H new ATOM 0 HG3 GLN A 127 7.365 13.372 1.374 1.00 0.65 H new ATOM 0 HE21 GLN A 127 8.782 10.893 2.978 1.00 0.74 H new ATOM 0 HE22 GLN A 127 9.854 11.785 4.063 1.00 0.74 H new ATOM 1481 N MET A 128 3.232 12.156 3.994 1.00 0.49 N ATOM 1482 CA MET A 128 1.785 12.323 4.008 1.00 0.47 C ATOM 1483 C MET A 128 1.138 12.043 5.364 1.00 0.49 C ATOM 1484 O MET A 128 0.116 12.651 5.687 1.00 0.51 O ATOM 1485 CB MET A 128 1.201 11.378 2.971 1.00 0.47 C ATOM 1486 CG MET A 128 1.590 11.756 1.542 1.00 0.50 C ATOM 1487 SD MET A 128 0.705 10.781 0.307 1.00 0.54 S ATOM 1488 CE MET A 128 -0.917 11.516 0.576 1.00 0.54 C ATOM 0 H MET A 128 3.542 11.376 3.415 1.00 0.49 H new ATOM 0 HA MET A 128 1.574 13.369 3.786 1.00 0.47 H new ATOM 0 HB2 MET A 128 1.540 10.363 3.179 1.00 0.47 H new ATOM 0 HB3 MET A 128 0.115 11.376 3.059 1.00 0.47 H new ATOM 0 HG2 MET A 128 1.385 12.814 1.380 1.00 0.50 H new ATOM 0 HG3 MET A 128 2.663 11.615 1.411 1.00 0.50 H new ATOM 0 HE1 MET A 128 -1.604 11.174 -0.198 1.00 0.54 H new ATOM 0 HE2 MET A 128 -1.294 11.217 1.554 1.00 0.54 H new ATOM 0 HE3 MET A 128 -0.836 12.602 0.535 1.00 0.54 H new ATOM 1498 N HIS A 129 1.733 11.153 6.165 1.00 0.53 N ATOM 1499 CA HIS A 129 1.299 10.872 7.548 1.00 0.55 C ATOM 1500 C HIS A 129 1.247 12.143 8.382 1.00 0.59 C ATOM 1501 O HIS A 129 0.286 12.424 9.100 1.00 0.60 O ATOM 1502 CB HIS A 129 2.310 9.948 8.234 1.00 0.61 C ATOM 1503 CG HIS A 129 1.886 9.410 9.576 1.00 0.61 C ATOM 1504 ND1 HIS A 129 0.717 8.774 9.921 1.00 0.49 N ATOM 1505 CD2 HIS A 129 2.654 9.455 10.700 1.00 0.76 C ATOM 1506 CE1 HIS A 129 0.818 8.388 11.202 1.00 0.56 C ATOM 1507 NE2 HIS A 129 1.981 8.799 11.736 1.00 0.73 N ATOM 0 H HIS A 129 2.538 10.599 5.874 1.00 0.53 H new ATOM 0 HA HIS A 129 0.310 10.418 7.484 1.00 0.55 H new ATOM 0 HB2 HIS A 129 2.515 9.106 7.572 1.00 0.61 H new ATOM 0 HB3 HIS A 129 3.247 10.491 8.359 1.00 0.61 H new ATOM 0 HD2 HIS A 129 3.625 9.921 10.779 1.00 0.76 H new ATOM 0 HE1 HIS A 129 0.066 7.823 11.733 1.00 0.56 H new ATOM 0 HE2 HIS A 129 2.304 8.662 12.694 1.00 0.73 H new ATOM 1515 N GLN A 130 2.357 12.864 8.294 1.00 0.63 N ATOM 1516 CA GLN A 130 2.766 13.880 9.242 1.00 0.72 C ATOM 1517 C GLN A 130 2.284 15.273 8.784 1.00 0.71 C ATOM 1518 O GLN A 130 2.050 16.171 9.597 1.00 0.86 O ATOM 1519 CB GLN A 130 4.277 13.717 9.438 1.00 0.83 C ATOM 1520 CG GLN A 130 4.671 12.277 9.756 1.00 0.89 C ATOM 1521 CD GLN A 130 5.911 12.118 10.630 1.00 1.05 C ATOM 1522 OE1 GLN A 130 5.826 11.706 11.781 1.00 1.18 O ATOM 1523 NE2 GLN A 130 7.081 12.394 10.104 1.00 1.15 N ATOM 0 H GLN A 130 3.020 12.749 7.528 1.00 0.63 H new ATOM 0 HA GLN A 130 2.300 13.767 10.221 1.00 0.72 H new ATOM 0 HB2 GLN A 130 4.795 14.041 8.535 1.00 0.83 H new ATOM 0 HB3 GLN A 130 4.608 14.368 10.247 1.00 0.83 H new ATOM 0 HG2 GLN A 130 3.832 11.789 10.252 1.00 0.89 H new ATOM 0 HG3 GLN A 130 4.838 11.748 8.818 1.00 0.89 H new ATOM 0 HE21 GLN A 130 7.141 12.736 9.145 1.00 1.15 H new ATOM 0 HE22 GLN A 130 7.930 12.266 10.654 1.00 1.15 H new ATOM 1532 N ASN A 131 2.043 15.410 7.470 1.00 0.61 N ATOM 1533 CA ASN A 131 1.251 16.441 6.825 1.00 0.66 C ATOM 1534 C ASN A 131 -0.265 16.220 7.011 1.00 0.72 C ATOM 1535 O ASN A 131 -1.018 17.187 7.089 1.00 0.91 O ATOM 1536 CB ASN A 131 1.684 16.398 5.373 1.00 0.64 C ATOM 1537 CG ASN A 131 1.075 17.485 4.530 1.00 1.09 C ATOM 1538 OD1 ASN A 131 0.735 18.577 4.974 1.00 2.27 O ATOM 1539 ND2 ASN A 131 0.933 17.207 3.269 1.00 1.36 N ATOM 0 H ASN A 131 2.429 14.751 6.793 1.00 0.61 H new ATOM 0 HA ASN A 131 1.419 17.425 7.263 1.00 0.66 H new ATOM 0 HB2 ASN A 131 2.770 16.477 5.324 1.00 0.64 H new ATOM 0 HB3 ASN A 131 1.416 15.429 4.951 1.00 0.64 H new ATOM 0 HD21 ASN A 131 0.535 17.900 2.636 1.00 1.36 H new ATOM 0 HD22 ASN A 131 1.220 16.295 2.912 1.00 1.36 H new ATOM 1546 N GLY A 132 -0.724 14.964 7.112 1.00 0.64 N ATOM 1547 CA GLY A 132 -2.107 14.602 7.439 1.00 0.67 C ATOM 1548 C GLY A 132 -3.007 14.428 6.214 1.00 0.62 C ATOM 1549 O GLY A 132 -4.226 14.353 6.350 1.00 0.66 O ATOM 0 H GLY A 132 -0.126 14.151 6.964 1.00 0.64 H new ATOM 0 HA2 GLY A 132 -2.104 13.674 8.011 1.00 0.67 H new ATOM 0 HA3 GLY A 132 -2.531 15.372 8.083 1.00 0.67 H new ATOM 1553 N ASP A 133 -2.435 14.309 5.016 1.00 0.56 N ATOM 1554 CA ASP A 133 -3.203 14.070 3.781 1.00 0.54 C ATOM 1555 C ASP A 133 -3.704 12.613 3.681 1.00 0.51 C ATOM 1556 O ASP A 133 -4.603 12.316 2.892 1.00 0.58 O ATOM 1557 CB ASP A 133 -2.357 14.469 2.557 1.00 0.59 C ATOM 1558 CG ASP A 133 -2.971 15.616 1.731 1.00 0.83 C ATOM 1559 OD1 ASP A 133 -3.428 16.623 2.320 1.00 1.71 O ATOM 1560 OD2 ASP A 133 -3.014 15.517 0.480 1.00 1.94 O ATOM 0 H ASP A 133 -1.428 14.375 4.868 1.00 0.56 H new ATOM 0 HA ASP A 133 -4.095 14.695 3.807 1.00 0.54 H new ATOM 0 HB2 ASP A 133 -1.364 14.766 2.893 1.00 0.59 H new ATOM 0 HB3 ASP A 133 -2.229 13.598 1.915 1.00 0.59 H new ATOM 1565 N LEU A 134 -3.192 11.703 4.528 1.00 0.49 N ATOM 1566 CA LEU A 134 -3.672 10.309 4.586 1.00 0.50 C ATOM 1567 C LEU A 134 -5.068 10.230 5.200 1.00 0.49 C ATOM 1568 O LEU A 134 -5.846 9.330 4.928 1.00 0.50 O ATOM 1569 CB LEU A 134 -2.734 9.424 5.432 1.00 0.56 C ATOM 1570 CG LEU A 134 -1.290 9.301 4.939 1.00 0.53 C ATOM 1571 CD1 LEU A 134 -0.529 8.295 5.803 1.00 0.58 C ATOM 1572 CD2 LEU A 134 -1.206 8.857 3.483 1.00 0.51 C ATOM 0 H LEU A 134 -2.441 11.909 5.186 1.00 0.49 H new ATOM 0 HA LEU A 134 -3.694 9.949 3.558 1.00 0.50 H new ATOM 0 HB2 LEU A 134 -2.716 9.818 6.448 1.00 0.56 H new ATOM 0 HB3 LEU A 134 -3.164 8.424 5.486 1.00 0.56 H new ATOM 0 HG LEU A 134 -0.844 10.293 5.017 1.00 0.53 H new ATOM 0 HD11 LEU A 134 0.498 8.213 5.446 1.00 0.58 H new ATOM 0 HD12 LEU A 134 -0.527 8.633 6.839 1.00 0.58 H new ATOM 0 HD13 LEU A 134 -1.014 7.321 5.740 1.00 0.58 H new ATOM 0 HD21 LEU A 134 -0.160 8.786 3.184 1.00 0.51 H new ATOM 0 HD22 LEU A 134 -1.682 7.883 3.372 1.00 0.51 H new ATOM 0 HD23 LEU A 134 -1.715 9.584 2.851 1.00 0.51 H new ATOM 1584 N VAL A 135 -5.367 11.203 6.044 1.00 0.49 N ATOM 1585 CA VAL A 135 -6.554 11.342 6.882 1.00 0.54 C ATOM 1586 C VAL A 135 -7.729 11.786 6.017 1.00 0.53 C ATOM 1587 O VAL A 135 -8.840 11.288 6.170 1.00 0.60 O ATOM 1588 CB VAL A 135 -6.213 12.381 7.957 1.00 0.60 C ATOM 1589 CG1 VAL A 135 -7.085 12.260 9.182 1.00 0.70 C ATOM 1590 CG2 VAL A 135 -4.833 12.089 8.545 1.00 0.66 C ATOM 0 H VAL A 135 -4.730 11.989 6.174 1.00 0.49 H new ATOM 0 HA VAL A 135 -6.839 10.403 7.356 1.00 0.54 H new ATOM 0 HB VAL A 135 -6.317 13.343 7.455 1.00 0.60 H new ATOM 0 HG11 VAL A 135 -6.799 13.020 9.909 1.00 0.70 H new ATOM 0 HG12 VAL A 135 -8.129 12.401 8.901 1.00 0.70 H new ATOM 0 HG13 VAL A 135 -6.959 11.271 9.622 1.00 0.70 H new ATOM 0 HG21 VAL A 135 -4.598 12.831 9.308 1.00 0.66 H new ATOM 0 HG22 VAL A 135 -4.831 11.095 8.993 1.00 0.66 H new ATOM 0 HG23 VAL A 135 -4.084 12.132 7.754 1.00 0.66 H new ATOM 1600 N GLU A 136 -7.445 12.639 5.031 1.00 0.50 N ATOM 1601 CA GLU A 136 -8.359 13.018 3.953 1.00 0.54 C ATOM 1602 C GLU A 136 -8.545 11.866 2.962 1.00 0.57 C ATOM 1603 O GLU A 136 -9.655 11.642 2.484 1.00 0.67 O ATOM 1604 CB GLU A 136 -7.821 14.257 3.220 1.00 0.63 C ATOM 1605 CG GLU A 136 -7.446 15.413 4.150 1.00 1.09 C ATOM 1606 CD GLU A 136 -8.645 15.922 4.963 1.00 1.49 C ATOM 1607 OE1 GLU A 136 -9.492 16.676 4.422 1.00 2.51 O ATOM 1608 OE2 GLU A 136 -8.742 15.620 6.172 1.00 2.15 O ATOM 0 H GLU A 136 -6.539 13.102 4.959 1.00 0.50 H new ATOM 0 HA GLU A 136 -9.328 13.251 4.393 1.00 0.54 H new ATOM 0 HB2 GLU A 136 -6.944 13.971 2.640 1.00 0.63 H new ATOM 0 HB3 GLU A 136 -8.573 14.603 2.511 1.00 0.63 H new ATOM 0 HG2 GLU A 136 -6.660 15.087 4.832 1.00 1.09 H new ATOM 0 HG3 GLU A 136 -7.036 16.233 3.560 1.00 1.09 H new ATOM 1615 N GLU A 137 -7.487 11.096 2.698 1.00 0.57 N ATOM 1616 CA GLU A 137 -7.566 9.878 1.873 1.00 0.63 C ATOM 1617 C GLU A 137 -8.448 8.795 2.525 1.00 0.57 C ATOM 1618 O GLU A 137 -9.285 8.195 1.854 1.00 0.64 O ATOM 1619 CB GLU A 137 -6.150 9.348 1.575 1.00 0.71 C ATOM 1620 CG GLU A 137 -6.057 8.575 0.248 1.00 0.94 C ATOM 1621 CD GLU A 137 -6.271 9.460 -0.989 1.00 0.90 C ATOM 1622 OE1 GLU A 137 -6.050 10.691 -0.926 1.00 1.63 O ATOM 1623 OE2 GLU A 137 -6.707 8.952 -2.049 1.00 1.69 O ATOM 0 H GLU A 137 -6.550 11.295 3.048 1.00 0.57 H new ATOM 0 HA GLU A 137 -8.044 10.141 0.929 1.00 0.63 H new ATOM 0 HB2 GLU A 137 -5.454 10.186 1.549 1.00 0.71 H new ATOM 0 HB3 GLU A 137 -5.834 8.697 2.390 1.00 0.71 H new ATOM 0 HG2 GLU A 137 -5.078 8.100 0.181 1.00 0.94 H new ATOM 0 HG3 GLU A 137 -6.800 7.777 0.248 1.00 0.94 H new ATOM 1630 N LEU A 138 -8.339 8.599 3.846 1.00 0.51 N ATOM 1631 CA LEU A 138 -9.178 7.677 4.622 1.00 0.48 C ATOM 1632 C LEU A 138 -10.664 8.080 4.596 1.00 0.45 C ATOM 1633 O LEU A 138 -11.538 7.215 4.490 1.00 0.47 O ATOM 1634 CB LEU A 138 -8.622 7.612 6.062 1.00 0.53 C ATOM 1635 CG LEU A 138 -7.338 6.767 6.196 1.00 0.65 C ATOM 1636 CD1 LEU A 138 -6.701 7.001 7.567 1.00 0.76 C ATOM 1637 CD2 LEU A 138 -7.586 5.268 6.043 1.00 0.71 C ATOM 0 H LEU A 138 -7.650 9.088 4.417 1.00 0.51 H new ATOM 0 HA LEU A 138 -9.139 6.686 4.170 1.00 0.48 H new ATOM 0 HB2 LEU A 138 -8.417 8.625 6.408 1.00 0.53 H new ATOM 0 HB3 LEU A 138 -9.388 7.199 6.719 1.00 0.53 H new ATOM 0 HG LEU A 138 -6.680 7.087 5.388 1.00 0.65 H new ATOM 0 HD11 LEU A 138 -5.795 6.401 7.654 1.00 0.76 H new ATOM 0 HD12 LEU A 138 -6.450 8.056 7.676 1.00 0.76 H new ATOM 0 HD13 LEU A 138 -7.404 6.713 8.349 1.00 0.76 H new ATOM 0 HD21 LEU A 138 -6.643 4.731 6.148 1.00 0.71 H new ATOM 0 HD22 LEU A 138 -8.282 4.934 6.813 1.00 0.71 H new ATOM 0 HD23 LEU A 138 -8.010 5.068 5.059 1.00 0.71 H new ATOM 1649 N LYS A 139 -10.954 9.389 4.589 1.00 0.53 N ATOM 1650 CA LYS A 139 -12.318 9.941 4.495 1.00 0.68 C ATOM 1651 C LYS A 139 -13.009 9.610 3.157 1.00 0.78 C ATOM 1652 O LYS A 139 -14.230 9.420 3.158 1.00 0.87 O ATOM 1653 CB LYS A 139 -12.283 11.453 4.800 1.00 0.87 C ATOM 1654 CG LYS A 139 -11.995 11.736 6.287 1.00 0.76 C ATOM 1655 CD LYS A 139 -11.572 13.195 6.530 1.00 0.93 C ATOM 1656 CE LYS A 139 -10.743 13.347 7.813 1.00 0.85 C ATOM 1657 NZ LYS A 139 -10.497 14.775 8.111 1.00 0.98 N ATOM 0 H LYS A 139 -10.235 10.110 4.650 1.00 0.53 H new ATOM 0 HA LYS A 139 -12.939 9.455 5.248 1.00 0.68 H new ATOM 0 HB2 LYS A 139 -11.519 11.929 4.186 1.00 0.87 H new ATOM 0 HB3 LYS A 139 -13.238 11.901 4.524 1.00 0.87 H new ATOM 0 HG2 LYS A 139 -12.885 11.515 6.876 1.00 0.76 H new ATOM 0 HG3 LYS A 139 -11.207 11.068 6.636 1.00 0.76 H new ATOM 0 HD2 LYS A 139 -10.991 13.551 5.679 1.00 0.93 H new ATOM 0 HD3 LYS A 139 -12.460 13.824 6.595 1.00 0.93 H new ATOM 0 HE2 LYS A 139 -11.267 12.881 8.648 1.00 0.85 H new ATOM 0 HE3 LYS A 139 -9.793 12.825 7.702 1.00 0.85 H new ATOM 0 HZ1 LYS A 139 -10.055 14.863 9.048 1.00 0.98 H new ATOM 0 HZ2 LYS A 139 -9.864 15.176 7.390 1.00 0.98 H new ATOM 0 HZ3 LYS A 139 -11.400 15.291 8.105 1.00 0.98 H new ATOM 1671 N LYS A 140 -12.263 9.407 2.057 1.00 0.83 N ATOM 1672 CA LYS A 140 -12.792 8.898 0.768 1.00 1.01 C ATOM 1673 C LYS A 140 -13.353 7.473 0.858 1.00 0.92 C ATOM 1674 O LYS A 140 -14.285 7.126 0.135 1.00 1.12 O ATOM 1675 CB LYS A 140 -11.700 8.899 -0.315 1.00 1.28 C ATOM 1676 CG LYS A 140 -10.956 10.229 -0.431 1.00 1.52 C ATOM 1677 CD LYS A 140 -9.898 10.167 -1.529 1.00 1.76 C ATOM 1678 CE LYS A 140 -9.169 11.508 -1.584 1.00 1.85 C ATOM 1679 NZ LYS A 140 -8.149 11.541 -2.660 1.00 2.10 N ATOM 0 H LYS A 140 -11.260 9.593 2.032 1.00 0.83 H new ATOM 0 HA LYS A 140 -13.605 9.576 0.509 1.00 1.01 H new ATOM 0 HB2 LYS A 140 -10.982 8.108 -0.096 1.00 1.28 H new ATOM 0 HB3 LYS A 140 -12.154 8.661 -1.277 1.00 1.28 H new ATOM 0 HG2 LYS A 140 -11.664 11.029 -0.648 1.00 1.52 H new ATOM 0 HG3 LYS A 140 -10.484 10.470 0.521 1.00 1.52 H new ATOM 0 HD2 LYS A 140 -9.192 9.361 -1.328 1.00 1.76 H new ATOM 0 HD3 LYS A 140 -10.364 9.950 -2.490 1.00 1.76 H new ATOM 0 HE2 LYS A 140 -9.892 12.308 -1.745 1.00 1.85 H new ATOM 0 HE3 LYS A 140 -8.690 11.700 -0.624 1.00 1.85 H new ATOM 0 HZ1 LYS A 140 -7.201 11.441 -2.243 1.00 2.10 H new ATOM 0 HZ2 LYS A 140 -8.319 10.759 -3.324 1.00 2.10 H new ATOM 0 HZ3 LYS A 140 -8.210 12.446 -3.169 1.00 2.10 H new ATOM 1693 N LEU A 141 -12.787 6.650 1.744 1.00 0.76 N ATOM 1694 CA LEU A 141 -13.158 5.256 1.977 1.00 0.82 C ATOM 1695 C LEU A 141 -14.192 5.088 3.106 1.00 0.79 C ATOM 1696 O LEU A 141 -14.584 3.965 3.424 1.00 0.97 O ATOM 1697 CB LEU A 141 -11.865 4.477 2.280 1.00 0.82 C ATOM 1698 CG LEU A 141 -11.049 3.969 1.077 1.00 0.89 C ATOM 1699 CD1 LEU A 141 -11.845 3.000 0.205 1.00 1.15 C ATOM 1700 CD2 LEU A 141 -10.492 5.101 0.218 1.00 1.51 C ATOM 0 H LEU A 141 -12.022 6.954 2.346 1.00 0.76 H new ATOM 0 HA LEU A 141 -13.647 4.864 1.085 1.00 0.82 H new ATOM 0 HB2 LEU A 141 -11.218 5.117 2.880 1.00 0.82 H new ATOM 0 HB3 LEU A 141 -12.126 3.618 2.898 1.00 0.82 H new ATOM 0 HG LEU A 141 -10.205 3.432 1.510 1.00 0.89 H new ATOM 0 HD11 LEU A 141 -11.227 2.670 -0.630 1.00 1.15 H new ATOM 0 HD12 LEU A 141 -12.143 2.136 0.799 1.00 1.15 H new ATOM 0 HD13 LEU A 141 -12.734 3.501 -0.178 1.00 1.15 H new ATOM 0 HD21 LEU A 141 -9.926 4.682 -0.614 1.00 1.51 H new ATOM 0 HD22 LEU A 141 -11.314 5.703 -0.169 1.00 1.51 H new ATOM 0 HD23 LEU A 141 -9.837 5.728 0.823 1.00 1.51 H new ATOM 1712 N GLY A 142 -14.600 6.188 3.747 1.00 0.66 N ATOM 1713 CA GLY A 142 -15.475 6.182 4.922 1.00 0.64 C ATOM 1714 C GLY A 142 -14.779 5.785 6.233 1.00 0.51 C ATOM 1715 O GLY A 142 -15.453 5.627 7.254 1.00 0.67 O ATOM 0 H GLY A 142 -14.325 7.126 3.457 1.00 0.66 H new ATOM 0 HA2 GLY A 142 -15.908 7.175 5.042 1.00 0.64 H new ATOM 0 HA3 GLY A 142 -16.301 5.494 4.741 1.00 0.64 H new ATOM 1719 N ILE A 143 -13.452 5.618 6.228 1.00 0.40 N ATOM 1720 CA ILE A 143 -12.656 5.247 7.405 1.00 0.45 C ATOM 1721 C ILE A 143 -12.391 6.481 8.276 1.00 0.52 C ATOM 1722 O ILE A 143 -12.221 7.595 7.780 1.00 0.69 O ATOM 1723 CB ILE A 143 -11.338 4.529 7.009 1.00 0.56 C ATOM 1724 CG1 ILE A 143 -11.581 3.289 6.112 1.00 0.65 C ATOM 1725 CG2 ILE A 143 -10.590 4.127 8.298 1.00 0.72 C ATOM 1726 CD1 ILE A 143 -10.314 2.691 5.460 1.00 0.78 C ATOM 0 H ILE A 143 -12.888 5.740 5.387 1.00 0.40 H new ATOM 0 HA ILE A 143 -13.233 4.532 7.992 1.00 0.45 H new ATOM 0 HB ILE A 143 -10.736 5.220 6.419 1.00 0.56 H new ATOM 0 HG12 ILE A 143 -12.062 2.516 6.711 1.00 0.65 H new ATOM 0 HG13 ILE A 143 -12.282 3.563 5.323 1.00 0.65 H new ATOM 0 HG21 ILE A 143 -9.661 3.621 8.037 1.00 0.72 H new ATOM 0 HG22 ILE A 143 -10.365 5.020 8.882 1.00 0.72 H new ATOM 0 HG23 ILE A 143 -11.215 3.456 8.887 1.00 0.72 H new ATOM 0 HD11 ILE A 143 -10.590 1.829 4.853 1.00 0.78 H new ATOM 0 HD12 ILE A 143 -9.840 3.443 4.829 1.00 0.78 H new ATOM 0 HD13 ILE A 143 -9.617 2.379 6.238 1.00 0.78 H new ATOM 1738 N HIS A 144 -12.334 6.258 9.585 1.00 0.61 N ATOM 1739 CA HIS A 144 -11.946 7.233 10.599 1.00 0.78 C ATOM 1740 C HIS A 144 -10.511 6.966 11.064 1.00 0.80 C ATOM 1741 O HIS A 144 -10.231 5.899 11.620 1.00 0.87 O ATOM 1742 CB HIS A 144 -12.940 7.082 11.752 1.00 1.06 C ATOM 1743 CG HIS A 144 -13.092 8.268 12.675 1.00 1.45 C ATOM 1744 ND1 HIS A 144 -13.980 9.304 12.505 1.00 1.69 N ATOM 1745 CD2 HIS A 144 -12.515 8.436 13.907 1.00 1.81 C ATOM 1746 CE1 HIS A 144 -13.941 10.079 13.599 1.00 2.09 C ATOM 1747 NE2 HIS A 144 -13.079 9.577 14.505 1.00 2.14 N ATOM 0 H HIS A 144 -12.568 5.350 9.987 1.00 0.61 H new ATOM 0 HA HIS A 144 -11.969 8.250 10.207 1.00 0.78 H new ATOM 0 HB2 HIS A 144 -13.918 6.851 11.330 1.00 1.06 H new ATOM 0 HB3 HIS A 144 -12.640 6.222 12.350 1.00 1.06 H new ATOM 0 HD2 HIS A 144 -11.758 7.801 14.343 1.00 1.81 H new ATOM 0 HE1 HIS A 144 -14.520 10.980 13.735 1.00 2.09 H new ATOM 0 HE2 HIS A 144 -12.877 9.948 15.433 1.00 2.14 H new ATOM 1755 N SER A 145 -9.594 7.916 10.873 1.00 0.78 N ATOM 1756 CA SER A 145 -8.260 7.838 11.464 1.00 0.72 C ATOM 1757 C SER A 145 -8.347 7.702 12.992 1.00 0.62 C ATOM 1758 O SER A 145 -8.987 8.485 13.687 1.00 0.65 O ATOM 1759 CB SER A 145 -7.446 9.061 11.010 1.00 0.76 C ATOM 1760 OG SER A 145 -6.318 9.275 11.841 1.00 0.63 O ATOM 0 H SER A 145 -9.754 8.752 10.310 1.00 0.78 H new ATOM 0 HA SER A 145 -7.742 6.944 11.117 1.00 0.72 H new ATOM 0 HB2 SER A 145 -7.118 8.919 9.980 1.00 0.76 H new ATOM 0 HB3 SER A 145 -8.081 9.947 11.023 1.00 0.76 H new ATOM 0 HG SER A 145 -5.585 8.691 11.555 1.00 0.63 H new ATOM 1766 N ALA A 146 -7.668 6.709 13.554 1.00 0.55 N ATOM 1767 CA ALA A 146 -7.627 6.491 15.002 1.00 0.49 C ATOM 1768 C ALA A 146 -6.900 7.624 15.761 1.00 0.50 C ATOM 1769 O ALA A 146 -7.047 7.750 16.981 1.00 0.62 O ATOM 1770 CB ALA A 146 -7.005 5.119 15.256 1.00 0.48 C ATOM 0 H ALA A 146 -7.128 6.028 13.020 1.00 0.55 H new ATOM 0 HA ALA A 146 -8.642 6.510 15.398 1.00 0.49 H new ATOM 0 HB1 ALA A 146 -6.963 4.932 16.329 1.00 0.48 H new ATOM 0 HB2 ALA A 146 -7.611 4.350 14.777 1.00 0.48 H new ATOM 0 HB3 ALA A 146 -5.996 5.095 14.843 1.00 0.48 H new ATOM 1776 N LEU A 147 -6.148 8.479 15.054 1.00 0.49 N ATOM 1777 CA LEU A 147 -5.494 9.679 15.551 1.00 0.56 C ATOM 1778 C LEU A 147 -6.476 10.859 15.706 1.00 0.66 C ATOM 1779 O LEU A 147 -6.268 11.747 16.536 1.00 0.95 O ATOM 1780 CB LEU A 147 -4.394 10.006 14.535 1.00 0.56 C ATOM 1781 CG LEU A 147 -3.384 8.899 14.168 1.00 0.55 C ATOM 1782 CD1 LEU A 147 -2.175 9.494 13.450 1.00 0.63 C ATOM 1783 CD2 LEU A 147 -2.881 8.144 15.390 1.00 0.52 C ATOM 0 H LEU A 147 -5.975 8.334 14.059 1.00 0.49 H new ATOM 0 HA LEU A 147 -5.088 9.510 16.548 1.00 0.56 H new ATOM 0 HB2 LEU A 147 -4.878 10.333 13.615 1.00 0.56 H new ATOM 0 HB3 LEU A 147 -3.830 10.857 14.918 1.00 0.56 H new ATOM 0 HG LEU A 147 -3.916 8.204 13.519 1.00 0.55 H new ATOM 0 HD11 LEU A 147 -1.473 8.699 13.199 1.00 0.63 H new ATOM 0 HD12 LEU A 147 -2.502 9.991 12.537 1.00 0.63 H new ATOM 0 HD13 LEU A 147 -1.685 10.218 14.101 1.00 0.63 H new ATOM 0 HD21 LEU A 147 -2.173 7.376 15.077 1.00 0.52 H new ATOM 0 HD22 LEU A 147 -2.386 8.839 16.069 1.00 0.52 H new ATOM 0 HD23 LEU A 147 -3.723 7.676 15.900 1.00 0.52 H new ATOM 1795 N LEU A 148 -7.566 10.856 14.932 1.00 0.65 N ATOM 1796 CA LEU A 148 -8.724 11.746 15.076 1.00 0.69 C ATOM 1797 C LEU A 148 -9.585 11.425 16.308 1.00 1.04 C ATOM 1798 O LEU A 148 -10.231 12.320 16.855 1.00 1.48 O ATOM 1799 CB LEU A 148 -9.538 11.669 13.782 1.00 1.23 C ATOM 1800 CG LEU A 148 -9.184 12.730 12.736 1.00 1.88 C ATOM 1801 CD1 LEU A 148 -10.083 13.955 12.904 1.00 3.37 C ATOM 1802 CD2 LEU A 148 -7.716 13.170 12.681 1.00 4.03 C ATOM 0 H LEU A 148 -7.670 10.205 14.154 1.00 0.65 H new ATOM 0 HA LEU A 148 -8.368 12.763 15.243 1.00 0.69 H new ATOM 0 HB2 LEU A 148 -9.399 10.683 13.340 1.00 1.23 H new ATOM 0 HB3 LEU A 148 -10.596 11.761 14.029 1.00 1.23 H new ATOM 0 HG LEU A 148 -9.358 12.232 11.782 1.00 1.88 H new ATOM 0 HD11 LEU A 148 -9.822 14.703 12.155 1.00 3.37 H new ATOM 0 HD12 LEU A 148 -11.125 13.662 12.777 1.00 3.37 H new ATOM 0 HD13 LEU A 148 -9.943 14.375 13.900 1.00 3.37 H new ATOM 0 HD21 LEU A 148 -7.591 13.923 11.903 1.00 4.03 H new ATOM 0 HD22 LEU A 148 -7.426 13.591 13.644 1.00 4.03 H new ATOM 0 HD23 LEU A 148 -7.086 12.309 12.458 1.00 4.03 H new ATOM 1814 N ASP A 149 -9.545 10.180 16.788 1.00 1.48 N ATOM 1815 CA ASP A 149 -10.289 9.689 17.959 1.00 2.39 C ATOM 1816 C ASP A 149 -9.464 9.738 19.270 1.00 2.62 C ATOM 1817 O ASP A 149 -9.574 8.882 20.157 1.00 3.28 O ATOM 1818 CB ASP A 149 -10.864 8.300 17.641 1.00 2.99 C ATOM 1819 CG ASP A 149 -12.262 8.054 18.219 1.00 4.10 C ATOM 1820 OD1 ASP A 149 -12.729 8.789 19.123 1.00 4.20 O ATOM 1821 OD2 ASP A 149 -12.940 7.133 17.702 1.00 5.41 O ATOM 0 H ASP A 149 -8.972 9.455 16.357 1.00 1.48 H new ATOM 0 HA ASP A 149 -11.121 10.365 18.156 1.00 2.39 H new ATOM 0 HB2 ASP A 149 -10.903 8.174 16.559 1.00 2.99 H new ATOM 0 HB3 ASP A 149 -10.184 7.540 18.027 1.00 2.99 H new ATOM 1826 N GLU A 150 -8.571 10.727 19.354 1.00 2.35 N ATOM 1827 CA GLU A 150 -7.797 11.115 20.548 1.00 2.92 C ATOM 1828 C GLU A 150 -7.446 12.614 20.609 1.00 2.81 C ATOM 1829 O GLU A 150 -7.906 13.404 19.749 1.00 3.62 O ATOM 1830 CB GLU A 150 -6.541 10.231 20.667 1.00 3.52 C ATOM 1831 CG GLU A 150 -5.525 10.418 19.529 1.00 3.08 C ATOM 1832 CD GLU A 150 -4.149 9.870 19.927 1.00 3.41 C ATOM 1833 OE1 GLU A 150 -3.927 8.640 19.814 1.00 4.13 O ATOM 1834 OE2 GLU A 150 -3.296 10.669 20.396 1.00 3.81 O ATOM 0 H GLU A 150 -8.352 11.314 18.549 1.00 2.35 H new ATOM 0 HA GLU A 150 -8.442 10.946 21.410 1.00 2.92 H new ATOM 0 HB2 GLU A 150 -6.049 10.445 21.616 1.00 3.52 H new ATOM 0 HB3 GLU A 150 -6.848 9.186 20.696 1.00 3.52 H new ATOM 0 HG2 GLU A 150 -5.879 9.908 18.633 1.00 3.08 H new ATOM 0 HG3 GLU A 150 -5.441 11.476 19.281 1.00 3.08 H new