USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 614 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 18 HIS : no HD1:sc= -5.49! C(o=-7.5!,f=-8.2!) USER MOD Set 1.2: A 63 MET CE :methyl 179:sc= -2.05 (180deg=-1.94) USER MOD Set 2.1: A 13 LYS NZ :NH3+ -132:sc= -3.46 (180deg=-5.27!) USER MOD Set 2.2: A 16 ASN : amide:sc= -6.11 K(o=-9.6,f=-17!) USER MOD Single : A 3 HIS : no HD1:sc= -0.0383 X(o=-0.038,f=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN :FLIP amide:sc= -0.889 F(o=-2.1,f=-0.89) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -1.82 K(o=-1.8,f=-2.6!) USER MOD Single : A 27 ASN : amide:sc= -0.0416 K(o=-0.042,f=-0.79) USER MOD Single : A 28 GLN : amide:sc= -0.458 X(o=-0.46,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 99:sc= 1.2 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 39 GLN : amide:sc= -0.327 X(o=-0.33,f=-0.69) USER MOD Single : A 40 ASN :FLIP amide:sc= -1.07 F(o=-2,f=-1.1) USER MOD Single : A 42 SER OG : rot 46:sc= 0.478 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.108 X(o=-0.11,f=0.023) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -148:sc= -0.0611 (180deg=-0.862) USER MOD Single : A 52 GLN : amide:sc= -0.125 X(o=-0.12,f=-0.4) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HE2:sc= -0.406 X(o=-0.41,f=-0.21) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 40 N HIS A 3 -11.817 -5.125 8.491 1.00 0.00 N ATOM 41 CA HIS A 3 -10.685 -5.131 9.411 1.00 0.00 C ATOM 42 C HIS A 3 -9.423 -5.647 8.723 1.00 0.00 C ATOM 43 O HIS A 3 -8.309 -5.343 9.143 1.00 0.00 O ATOM 44 CB HIS A 3 -11.000 -5.996 10.633 1.00 0.00 C ATOM 45 CG HIS A 3 -11.916 -5.334 11.615 1.00 0.00 C ATOM 46 ND1 HIS A 3 -12.283 -5.915 12.812 1.00 0.00 N ATOM 47 CD2 HIS A 3 -12.542 -4.133 11.575 1.00 0.00 C ATOM 48 CE1 HIS A 3 -13.095 -5.101 13.464 1.00 0.00 C ATOM 49 NE2 HIS A 3 -13.267 -4.013 12.735 1.00 0.00 N ATOM 0 HA HIS A 3 -10.508 -4.105 9.733 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -11.452 -6.930 10.300 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -10.068 -6.254 11.135 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -12.482 -3.406 10.779 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -13.542 -5.293 14.428 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -13.845 -3.213 12.992 1.00 0.00 H new ATOM 58 N GLU A 4 -9.606 -6.429 7.663 1.00 0.00 N ATOM 59 CA GLU A 4 -8.486 -6.991 6.915 1.00 0.00 C ATOM 60 C GLU A 4 -7.786 -5.931 6.060 1.00 0.00 C ATOM 61 O GLU A 4 -6.771 -6.201 5.422 1.00 0.00 O ATOM 62 CB GLU A 4 -8.969 -8.139 6.025 1.00 0.00 C ATOM 63 CG GLU A 4 -10.090 -7.745 5.079 1.00 0.00 C ATOM 64 CD GLU A 4 -10.393 -8.820 4.054 1.00 0.00 C ATOM 65 OE1 GLU A 4 -10.343 -10.015 4.415 1.00 0.00 O ATOM 66 OE2 GLU A 4 -10.679 -8.467 2.891 1.00 0.00 O ATOM 0 H GLU A 4 -10.524 -6.689 7.302 1.00 0.00 H new ATOM 0 HA GLU A 4 -7.764 -7.369 7.639 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -8.128 -8.514 5.442 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -9.310 -8.959 6.657 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -10.990 -7.535 5.656 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.819 -6.823 4.564 1.00 0.00 H new ATOM 73 N PHE A 5 -8.329 -4.728 6.046 1.00 0.00 N ATOM 74 CA PHE A 5 -7.750 -3.644 5.275 1.00 0.00 C ATOM 75 C PHE A 5 -6.763 -2.860 6.120 1.00 0.00 C ATOM 76 O PHE A 5 -5.844 -2.232 5.604 1.00 0.00 O ATOM 77 CB PHE A 5 -8.842 -2.722 4.754 1.00 0.00 C ATOM 78 CG PHE A 5 -9.533 -3.238 3.524 1.00 0.00 C ATOM 79 CD1 PHE A 5 -10.562 -4.159 3.627 1.00 0.00 C ATOM 80 CD2 PHE A 5 -9.151 -2.802 2.266 1.00 0.00 C ATOM 81 CE1 PHE A 5 -11.199 -4.636 2.498 1.00 0.00 C ATOM 82 CE2 PHE A 5 -9.785 -3.275 1.132 1.00 0.00 C ATOM 83 CZ PHE A 5 -10.810 -4.194 1.248 1.00 0.00 C ATOM 0 H PHE A 5 -9.173 -4.477 6.561 1.00 0.00 H new ATOM 0 HA PHE A 5 -7.218 -4.072 4.425 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -9.583 -2.571 5.539 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.407 -1.747 4.534 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -10.870 -4.508 4.601 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.349 -2.085 2.170 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -12.000 -5.354 2.592 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -9.479 -2.926 0.157 1.00 0.00 H new ATOM 0 HZ PHE A 5 -11.306 -4.566 0.364 1.00 0.00 H new ATOM 93 N ARG A 6 -6.960 -2.906 7.426 1.00 0.00 N ATOM 94 CA ARG A 6 -6.080 -2.216 8.347 1.00 0.00 C ATOM 95 C ARG A 6 -5.340 -3.233 9.197 1.00 0.00 C ATOM 96 O ARG A 6 -4.202 -3.006 9.607 1.00 0.00 O ATOM 97 CB ARG A 6 -6.872 -1.249 9.232 1.00 0.00 C ATOM 98 CG ARG A 6 -6.028 -0.556 10.291 1.00 0.00 C ATOM 99 CD ARG A 6 -5.963 -1.370 11.574 1.00 0.00 C ATOM 100 NE ARG A 6 -6.385 -0.594 12.738 1.00 0.00 N ATOM 101 CZ ARG A 6 -7.657 -0.387 13.072 1.00 0.00 C ATOM 102 NH1 ARG A 6 -8.636 -0.893 12.333 1.00 0.00 N ATOM 103 NH2 ARG A 6 -7.950 0.328 14.150 1.00 0.00 N ATOM 0 H ARG A 6 -7.723 -3.415 7.871 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.357 -1.632 7.777 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.339 -0.493 8.601 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.677 -1.796 9.723 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -5.020 -0.398 9.908 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.446 0.428 10.504 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.597 -2.251 11.477 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -4.944 -1.726 11.726 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.661 -0.186 13.330 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -8.416 -1.444 11.503 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -9.608 -0.731 12.594 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -7.201 0.719 14.722 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -8.924 0.487 14.407 1.00 0.00 H new ATOM 117 N ASP A 7 -5.988 -4.366 9.442 1.00 0.00 N ATOM 118 CA ASP A 7 -5.377 -5.422 10.222 1.00 0.00 C ATOM 119 C ASP A 7 -4.622 -6.379 9.317 1.00 0.00 C ATOM 120 O ASP A 7 -3.599 -6.932 9.715 1.00 0.00 O ATOM 121 CB ASP A 7 -6.424 -6.175 11.043 1.00 0.00 C ATOM 122 CG ASP A 7 -7.220 -5.255 11.949 1.00 0.00 C ATOM 123 OD1 ASP A 7 -6.714 -4.908 13.036 1.00 0.00 O ATOM 124 OD2 ASP A 7 -8.351 -4.882 11.572 1.00 0.00 O ATOM 0 H ASP A 7 -6.931 -4.571 9.112 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.670 -4.966 10.915 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -7.105 -6.695 10.369 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -5.930 -6.936 11.647 1.00 0.00 H new ATOM 129 N GLU A 8 -5.099 -6.561 8.086 1.00 0.00 N ATOM 130 CA GLU A 8 -4.399 -7.441 7.163 1.00 0.00 C ATOM 131 C GLU A 8 -3.389 -6.639 6.360 1.00 0.00 C ATOM 132 O GLU A 8 -2.384 -7.174 5.900 1.00 0.00 O ATOM 133 CB GLU A 8 -5.360 -8.190 6.240 1.00 0.00 C ATOM 134 CG GLU A 8 -5.245 -9.702 6.346 1.00 0.00 C ATOM 135 CD GLU A 8 -5.648 -10.409 5.067 1.00 0.00 C ATOM 136 OE1 GLU A 8 -6.451 -9.836 4.302 1.00 0.00 O ATOM 137 OE2 GLU A 8 -5.160 -11.534 4.832 1.00 0.00 O ATOM 0 H GLU A 8 -5.943 -6.123 7.716 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.876 -8.197 7.749 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.382 -7.894 6.475 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -5.170 -7.890 5.209 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.218 -9.968 6.595 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.873 -10.054 7.165 1.00 0.00 H new ATOM 144 N ILE A 9 -3.645 -5.342 6.201 1.00 0.00 N ATOM 145 CA ILE A 9 -2.714 -4.502 5.463 1.00 0.00 C ATOM 146 C ILE A 9 -1.598 -4.001 6.366 1.00 0.00 C ATOM 147 O ILE A 9 -0.479 -3.772 5.908 1.00 0.00 O ATOM 148 CB ILE A 9 -3.410 -3.292 4.809 1.00 0.00 C ATOM 149 CG1 ILE A 9 -4.514 -3.762 3.860 1.00 0.00 C ATOM 150 CG2 ILE A 9 -2.390 -2.437 4.067 1.00 0.00 C ATOM 151 CD1 ILE A 9 -5.146 -2.646 3.054 1.00 0.00 C ATOM 0 H ILE A 9 -4.469 -4.862 6.564 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.297 -5.128 4.674 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.867 -2.684 5.590 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.100 -4.502 3.175 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.290 -4.262 4.440 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.893 -1.585 3.609 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.636 -2.079 4.768 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.910 -3.034 3.292 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.919 -3.058 2.405 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.591 -1.916 3.730 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.383 -2.160 2.446 1.00 0.00 H new ATOM 163 N SER A 10 -1.899 -3.808 7.645 1.00 0.00 N ATOM 164 CA SER A 10 -0.895 -3.311 8.571 1.00 0.00 C ATOM 165 C SER A 10 -0.123 -4.432 9.260 1.00 0.00 C ATOM 166 O SER A 10 0.977 -4.209 9.764 1.00 0.00 O ATOM 167 CB SER A 10 -1.537 -2.398 9.616 1.00 0.00 C ATOM 168 OG SER A 10 -0.586 -1.502 10.165 1.00 0.00 O ATOM 0 H SER A 10 -2.815 -3.985 8.057 1.00 0.00 H new ATOM 0 HA SER A 10 -0.177 -2.742 7.980 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.351 -1.834 9.160 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.974 -3.002 10.412 1.00 0.00 H new ATOM 0 HG SER A 10 -1.022 -0.928 10.829 1.00 0.00 H new ATOM 174 N VAL A 11 -0.694 -5.628 9.308 1.00 0.00 N ATOM 175 CA VAL A 11 -0.025 -6.745 9.970 1.00 0.00 C ATOM 176 C VAL A 11 0.852 -7.545 9.012 1.00 0.00 C ATOM 177 O VAL A 11 1.912 -8.034 9.396 1.00 0.00 O ATOM 178 CB VAL A 11 -1.034 -7.688 10.657 1.00 0.00 C ATOM 179 CG1 VAL A 11 -0.324 -8.882 11.283 1.00 0.00 C ATOM 180 CG2 VAL A 11 -1.833 -6.934 11.709 1.00 0.00 C ATOM 0 H VAL A 11 -1.604 -5.850 8.904 1.00 0.00 H new ATOM 0 HA VAL A 11 0.618 -6.301 10.730 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.721 -8.062 9.898 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.057 -9.532 11.761 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.204 -9.439 10.509 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.390 -8.531 12.028 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.540 -7.613 12.185 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.155 -6.531 12.461 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.377 -6.116 11.236 1.00 0.00 H new ATOM 190 N LEU A 12 0.402 -7.693 7.775 1.00 0.00 N ATOM 191 CA LEU A 12 1.155 -8.454 6.782 1.00 0.00 C ATOM 192 C LEU A 12 2.113 -7.569 6.005 1.00 0.00 C ATOM 193 O LEU A 12 3.233 -7.974 5.692 1.00 0.00 O ATOM 194 CB LEU A 12 0.205 -9.147 5.808 1.00 0.00 C ATOM 195 CG LEU A 12 -1.140 -9.553 6.400 1.00 0.00 C ATOM 196 CD1 LEU A 12 -2.114 -9.948 5.299 1.00 0.00 C ATOM 197 CD2 LEU A 12 -0.962 -10.690 7.397 1.00 0.00 C ATOM 0 H LEU A 12 -0.475 -7.300 7.434 1.00 0.00 H new ATOM 0 HA LEU A 12 1.737 -9.201 7.322 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.027 -8.483 4.962 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.696 -10.038 5.416 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.556 -8.696 6.929 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.068 -10.234 5.742 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.265 -9.103 4.627 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.707 -10.790 4.738 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.932 -10.967 7.810 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.523 -11.551 6.893 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.303 -10.367 8.203 1.00 0.00 H new ATOM 209 N LYS A 13 1.661 -6.370 5.672 1.00 0.00 N ATOM 210 CA LYS A 13 2.484 -5.444 4.900 1.00 0.00 C ATOM 211 C LYS A 13 3.501 -4.718 5.774 1.00 0.00 C ATOM 212 O LYS A 13 4.571 -4.335 5.302 1.00 0.00 O ATOM 213 CB LYS A 13 1.607 -4.435 4.166 1.00 0.00 C ATOM 214 CG LYS A 13 1.941 -4.307 2.690 1.00 0.00 C ATOM 215 CD LYS A 13 3.221 -3.516 2.475 1.00 0.00 C ATOM 216 CE LYS A 13 4.425 -4.428 2.323 1.00 0.00 C ATOM 217 NZ LYS A 13 5.669 -3.801 2.846 1.00 0.00 N ATOM 0 H LYS A 13 0.738 -6.015 5.920 1.00 0.00 H new ATOM 0 HA LYS A 13 3.038 -6.035 4.171 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.563 -4.729 4.270 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.713 -3.460 4.641 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.048 -5.300 2.253 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.118 -3.817 2.171 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.120 -2.895 1.585 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.379 -2.842 3.317 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.240 -5.363 2.852 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.560 -4.678 1.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.431 -3.907 2.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.500 -2.790 3.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.946 -4.267 3.733 1.00 0.00 H new ATOM 231 N ALA A 14 3.171 -4.534 7.043 1.00 0.00 N ATOM 232 CA ALA A 14 4.073 -3.858 7.966 1.00 0.00 C ATOM 233 C ALA A 14 5.028 -4.848 8.626 1.00 0.00 C ATOM 234 O ALA A 14 5.902 -4.459 9.399 1.00 0.00 O ATOM 235 CB ALA A 14 3.285 -3.096 9.021 1.00 0.00 C ATOM 0 H ALA A 14 2.291 -4.841 7.457 1.00 0.00 H new ATOM 0 HA ALA A 14 4.667 -3.146 7.393 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.975 -2.598 9.701 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.653 -2.352 8.536 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.661 -3.792 9.582 1.00 0.00 H new ATOM 241 N ASN A 15 4.843 -6.134 8.333 1.00 0.00 N ATOM 242 CA ASN A 15 5.683 -7.174 8.923 1.00 0.00 C ATOM 243 C ASN A 15 6.535 -7.898 7.889 1.00 0.00 C ATOM 244 O ASN A 15 7.505 -8.564 8.251 1.00 0.00 O ATOM 245 CB ASN A 15 4.824 -8.186 9.681 1.00 0.00 C ATOM 246 CG ASN A 15 4.289 -7.629 10.987 1.00 0.00 C ATOM 247 OD1 ASN A 15 3.442 -6.610 10.893 1.00 0.00 O flip ATOM 248 ND2 ASN A 15 4.633 -8.108 12.066 1.00 0.00 N flip ATOM 0 H ASN A 15 4.125 -6.479 7.696 1.00 0.00 H new ATOM 0 HA ASN A 15 6.362 -6.673 9.613 1.00 0.00 H new ATOM 0 HB2 ASN A 15 3.989 -8.493 9.051 1.00 0.00 H new ATOM 0 HB3 ASN A 15 5.415 -9.079 9.885 1.00 0.00 H new ATOM 0 HD21 ASN A 15 5.286 -8.891 12.091 1.00 0.00 H new ATOM 0 HD22 ASN A 15 4.265 -7.722 12.936 1.00 0.00 H new ATOM 255 N ASN A 16 6.191 -7.785 6.611 1.00 0.00 N ATOM 256 CA ASN A 16 6.980 -8.466 5.593 1.00 0.00 C ATOM 257 C ASN A 16 8.250 -7.680 5.272 1.00 0.00 C ATOM 258 O ASN A 16 8.251 -6.452 5.286 1.00 0.00 O ATOM 259 CB ASN A 16 6.169 -8.729 4.320 1.00 0.00 C ATOM 260 CG ASN A 16 5.272 -7.573 3.930 1.00 0.00 C ATOM 261 OD1 ASN A 16 5.404 -6.464 4.446 1.00 0.00 O ATOM 262 ND2 ASN A 16 4.352 -7.833 3.007 1.00 0.00 N ATOM 0 H ASN A 16 5.398 -7.247 6.263 1.00 0.00 H new ATOM 0 HA ASN A 16 7.266 -9.435 6.002 1.00 0.00 H new ATOM 0 HB2 ASN A 16 6.854 -8.941 3.499 1.00 0.00 H new ATOM 0 HB3 ASN A 16 5.559 -9.620 4.464 1.00 0.00 H new ATOM 0 HD21 ASN A 16 3.717 -7.097 2.698 1.00 0.00 H new ATOM 0 HD22 ASN A 16 4.281 -8.769 2.608 1.00 0.00 H new ATOM 269 N PRO A 17 9.361 -8.391 4.991 1.00 0.00 N ATOM 270 CA PRO A 17 10.654 -7.776 4.682 1.00 0.00 C ATOM 271 C PRO A 17 10.546 -6.583 3.745 1.00 0.00 C ATOM 272 O PRO A 17 11.377 -5.676 3.779 1.00 0.00 O ATOM 273 CB PRO A 17 11.458 -8.913 4.022 1.00 0.00 C ATOM 274 CG PRO A 17 10.526 -10.083 3.935 1.00 0.00 C ATOM 275 CD PRO A 17 9.453 -9.851 4.959 1.00 0.00 C ATOM 0 HA PRO A 17 11.120 -7.373 5.581 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.809 -8.619 3.033 1.00 0.00 H new ATOM 0 HB3 PRO A 17 12.340 -9.160 4.612 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.098 -10.164 2.936 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.055 -11.016 4.132 1.00 0.00 H new ATOM 0 HD2 PRO A 17 8.508 -10.311 4.669 1.00 0.00 H new ATOM 0 HD3 PRO A 17 9.723 -10.263 5.931 1.00 0.00 H new ATOM 283 N HIS A 18 9.523 -6.588 2.912 1.00 0.00 N ATOM 284 CA HIS A 18 9.307 -5.508 1.968 1.00 0.00 C ATOM 285 C HIS A 18 8.960 -4.209 2.691 1.00 0.00 C ATOM 286 O HIS A 18 9.265 -3.118 2.209 1.00 0.00 O ATOM 287 CB HIS A 18 8.192 -5.898 1.007 1.00 0.00 C ATOM 288 CG HIS A 18 8.549 -5.708 -0.434 1.00 0.00 C ATOM 289 ND1 HIS A 18 9.504 -4.809 -0.861 1.00 0.00 N ATOM 290 CD2 HIS A 18 8.079 -6.312 -1.552 1.00 0.00 C ATOM 291 CE1 HIS A 18 9.603 -4.866 -2.177 1.00 0.00 C ATOM 292 NE2 HIS A 18 8.751 -5.770 -2.620 1.00 0.00 N ATOM 0 H HIS A 18 8.826 -7.331 2.870 1.00 0.00 H new ATOM 0 HA HIS A 18 10.227 -5.338 1.408 1.00 0.00 H new ATOM 0 HB2 HIS A 18 7.930 -6.943 1.173 1.00 0.00 H new ATOM 0 HB3 HIS A 18 7.305 -5.307 1.234 1.00 0.00 H new ATOM 0 HD2 HIS A 18 7.318 -7.077 -1.595 1.00 0.00 H new ATOM 0 HE1 HIS A 18 10.269 -4.273 -2.787 1.00 0.00 H new ATOM 0 HE2 HIS A 18 8.613 -6.025 -3.598 1.00 0.00 H new ATOM 301 N PHE A 19 8.323 -4.330 3.853 1.00 0.00 N ATOM 302 CA PHE A 19 7.939 -3.162 4.640 1.00 0.00 C ATOM 303 C PHE A 19 9.146 -2.267 4.904 1.00 0.00 C ATOM 304 O PHE A 19 9.026 -1.051 5.012 1.00 0.00 O ATOM 305 CB PHE A 19 7.279 -3.601 5.962 1.00 0.00 C ATOM 306 CG PHE A 19 8.186 -3.564 7.168 1.00 0.00 C ATOM 307 CD1 PHE A 19 8.521 -2.359 7.765 1.00 0.00 C ATOM 308 CD2 PHE A 19 8.699 -4.736 7.704 1.00 0.00 C ATOM 309 CE1 PHE A 19 9.349 -2.322 8.871 1.00 0.00 C ATOM 310 CE2 PHE A 19 9.527 -4.704 8.809 1.00 0.00 C ATOM 311 CZ PHE A 19 9.853 -3.496 9.394 1.00 0.00 C ATOM 0 H PHE A 19 8.062 -5.224 4.270 1.00 0.00 H new ATOM 0 HA PHE A 19 7.212 -2.584 4.069 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.419 -2.959 6.153 1.00 0.00 H new ATOM 0 HB3 PHE A 19 6.899 -4.616 5.842 1.00 0.00 H new ATOM 0 HD1 PHE A 19 8.130 -1.437 7.361 1.00 0.00 H new ATOM 0 HD2 PHE A 19 8.448 -5.684 7.252 1.00 0.00 H new ATOM 0 HE1 PHE A 19 9.602 -1.375 9.326 1.00 0.00 H new ATOM 0 HE2 PHE A 19 9.920 -5.624 9.216 1.00 0.00 H new ATOM 0 HZ PHE A 19 10.500 -3.470 10.258 1.00 0.00 H new ATOM 321 N ASP A 20 10.312 -2.872 5.004 1.00 0.00 N ATOM 322 CA ASP A 20 11.530 -2.117 5.256 1.00 0.00 C ATOM 323 C ASP A 20 11.642 -0.926 4.314 1.00 0.00 C ATOM 324 O ASP A 20 11.825 0.208 4.749 1.00 0.00 O ATOM 325 CB ASP A 20 12.752 -3.012 5.091 1.00 0.00 C ATOM 326 CG ASP A 20 13.050 -3.825 6.336 1.00 0.00 C ATOM 327 OD1 ASP A 20 13.442 -3.224 7.358 1.00 0.00 O ATOM 328 OD2 ASP A 20 12.890 -5.063 6.288 1.00 0.00 O ATOM 0 H ASP A 20 10.446 -3.879 4.916 1.00 0.00 H new ATOM 0 HA ASP A 20 11.486 -1.748 6.281 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.593 -3.687 4.250 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.618 -2.397 4.847 1.00 0.00 H new ATOM 333 N LYS A 21 11.538 -1.196 3.022 1.00 0.00 N ATOM 334 CA LYS A 21 11.633 -0.151 2.012 1.00 0.00 C ATOM 335 C LYS A 21 10.267 0.439 1.678 1.00 0.00 C ATOM 336 O LYS A 21 10.114 1.657 1.575 1.00 0.00 O ATOM 337 CB LYS A 21 12.287 -0.703 0.744 1.00 0.00 C ATOM 338 CG LYS A 21 13.800 -0.557 0.728 1.00 0.00 C ATOM 339 CD LYS A 21 14.313 -0.225 -0.665 1.00 0.00 C ATOM 340 CE LYS A 21 15.582 -0.998 -0.992 1.00 0.00 C ATOM 341 NZ LYS A 21 15.369 -1.975 -2.095 1.00 0.00 N ATOM 0 H LYS A 21 11.387 -2.132 2.646 1.00 0.00 H new ATOM 0 HA LYS A 21 12.250 0.649 2.422 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.031 -1.758 0.642 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.871 -0.189 -0.123 1.00 0.00 H new ATOM 0 HG2 LYS A 21 14.098 0.228 1.423 1.00 0.00 H new ATOM 0 HG3 LYS A 21 14.260 -1.482 1.075 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.544 -0.458 -1.402 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.509 0.845 -0.736 1.00 0.00 H new ATOM 0 HE2 LYS A 21 16.370 -0.299 -1.273 1.00 0.00 H new ATOM 0 HE3 LYS A 21 15.926 -1.525 -0.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 16.257 -2.481 -2.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 14.635 -2.657 -1.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 15.066 -1.470 -2.952 1.00 0.00 H new ATOM 355 N ILE A 22 9.284 -0.430 1.492 1.00 0.00 N ATOM 356 CA ILE A 22 7.933 0.003 1.149 1.00 0.00 C ATOM 357 C ILE A 22 7.261 0.741 2.299 1.00 0.00 C ATOM 358 O ILE A 22 6.461 1.650 2.076 1.00 0.00 O ATOM 359 CB ILE A 22 7.042 -1.183 0.736 1.00 0.00 C ATOM 360 CG1 ILE A 22 7.774 -2.082 -0.262 1.00 0.00 C ATOM 361 CG2 ILE A 22 5.733 -0.678 0.148 1.00 0.00 C ATOM 362 CD1 ILE A 22 6.921 -3.213 -0.798 1.00 0.00 C ATOM 0 H ILE A 22 9.395 -1.441 1.572 1.00 0.00 H new ATOM 0 HA ILE A 22 8.043 0.684 0.305 1.00 0.00 H new ATOM 0 HB ILE A 22 6.816 -1.775 1.623 1.00 0.00 H new ATOM 0 HG12 ILE A 22 8.124 -1.475 -1.097 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.658 -2.501 0.219 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.112 -1.526 -0.140 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.207 -0.079 0.892 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.941 -0.066 -0.730 1.00 0.00 H new ATOM 0 HD11 ILE A 22 7.505 -3.809 -1.499 1.00 0.00 H new ATOM 0 HD12 ILE A 22 6.593 -3.844 0.028 1.00 0.00 H new ATOM 0 HD13 ILE A 22 6.050 -2.802 -1.309 1.00 0.00 H new ATOM 374 N PHE A 23 7.577 0.349 3.526 1.00 0.00 N ATOM 375 CA PHE A 23 6.981 0.986 4.695 1.00 0.00 C ATOM 376 C PHE A 23 7.816 2.170 5.165 1.00 0.00 C ATOM 377 O PHE A 23 7.276 3.146 5.684 1.00 0.00 O ATOM 378 CB PHE A 23 6.794 -0.021 5.833 1.00 0.00 C ATOM 379 CG PHE A 23 5.369 -0.154 6.287 1.00 0.00 C ATOM 380 CD1 PHE A 23 4.805 0.784 7.135 1.00 0.00 C ATOM 381 CD2 PHE A 23 4.596 -1.219 5.859 1.00 0.00 C ATOM 382 CE1 PHE A 23 3.492 0.660 7.551 1.00 0.00 C ATOM 383 CE2 PHE A 23 3.283 -1.350 6.270 1.00 0.00 C ATOM 384 CZ PHE A 23 2.730 -0.409 7.118 1.00 0.00 C ATOM 0 H PHE A 23 8.236 -0.400 3.738 1.00 0.00 H new ATOM 0 HA PHE A 23 6.000 1.359 4.401 1.00 0.00 H new ATOM 0 HB2 PHE A 23 7.156 -0.996 5.508 1.00 0.00 H new ATOM 0 HB3 PHE A 23 7.410 0.281 6.680 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.397 1.621 7.475 1.00 0.00 H new ATOM 0 HD2 PHE A 23 5.024 -1.956 5.196 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.063 1.397 8.213 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.690 -2.186 5.929 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.704 -0.509 7.442 1.00 0.00 H new ATOM 394 N GLU A 24 9.131 2.093 4.980 1.00 0.00 N ATOM 395 CA GLU A 24 10.003 3.187 5.392 1.00 0.00 C ATOM 396 C GLU A 24 9.786 4.399 4.500 1.00 0.00 C ATOM 397 O GLU A 24 9.715 5.530 4.980 1.00 0.00 O ATOM 398 CB GLU A 24 11.470 2.761 5.355 1.00 0.00 C ATOM 399 CG GLU A 24 12.442 3.875 5.710 1.00 0.00 C ATOM 400 CD GLU A 24 13.825 3.358 6.047 1.00 0.00 C ATOM 401 OE1 GLU A 24 13.946 2.562 7.002 1.00 0.00 O ATOM 402 OE2 GLU A 24 14.790 3.748 5.356 1.00 0.00 O ATOM 0 H GLU A 24 9.609 1.299 4.555 1.00 0.00 H new ATOM 0 HA GLU A 24 9.751 3.453 6.418 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.615 1.931 6.046 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.706 2.390 4.358 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.512 4.571 4.874 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.051 4.436 6.559 1.00 0.00 H new ATOM 409 N LYS A 25 9.666 4.156 3.202 1.00 0.00 N ATOM 410 CA LYS A 25 9.439 5.230 2.246 1.00 0.00 C ATOM 411 C LYS A 25 8.018 5.757 2.384 1.00 0.00 C ATOM 412 O LYS A 25 7.765 6.951 2.226 1.00 0.00 O ATOM 413 CB LYS A 25 9.685 4.739 0.818 1.00 0.00 C ATOM 414 CG LYS A 25 11.083 5.043 0.303 1.00 0.00 C ATOM 415 CD LYS A 25 12.144 4.315 1.112 1.00 0.00 C ATOM 416 CE LYS A 25 13.545 4.679 0.648 1.00 0.00 C ATOM 417 NZ LYS A 25 14.534 3.616 0.977 1.00 0.00 N ATOM 0 H LYS A 25 9.722 3.226 2.788 1.00 0.00 H new ATOM 0 HA LYS A 25 10.139 6.038 2.457 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.518 3.663 0.779 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.954 5.199 0.153 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.158 4.750 -0.744 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.263 6.117 0.348 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.033 4.564 2.167 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.998 3.239 1.021 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.538 4.847 -0.429 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.850 5.615 1.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 15.476 3.903 0.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 14.560 3.473 2.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.258 2.728 0.511 1.00 0.00 H new ATOM 431 N HIS A 26 7.093 4.854 2.697 1.00 0.00 N ATOM 432 CA HIS A 26 5.697 5.222 2.876 1.00 0.00 C ATOM 433 C HIS A 26 5.517 5.955 4.199 1.00 0.00 C ATOM 434 O HIS A 26 4.846 6.984 4.267 1.00 0.00 O ATOM 435 CB HIS A 26 4.808 3.974 2.834 1.00 0.00 C ATOM 436 CG HIS A 26 3.382 4.231 3.222 1.00 0.00 C ATOM 437 ND1 HIS A 26 2.721 3.500 4.186 1.00 0.00 N ATOM 438 CD2 HIS A 26 2.492 5.148 2.772 1.00 0.00 C ATOM 439 CE1 HIS A 26 1.487 3.955 4.312 1.00 0.00 C ATOM 440 NE2 HIS A 26 1.322 4.954 3.465 1.00 0.00 N ATOM 0 H HIS A 26 7.288 3.862 2.831 1.00 0.00 H new ATOM 0 HA HIS A 26 5.401 5.885 2.063 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.831 3.557 1.827 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.226 3.220 3.501 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.669 5.893 2.010 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.740 3.574 4.993 1.00 0.00 H new ATOM 0 HE2 HIS A 26 0.465 5.494 3.345 1.00 0.00 H new ATOM 449 N ASN A 27 6.124 5.413 5.247 1.00 0.00 N ATOM 450 CA ASN A 27 6.036 6.013 6.573 1.00 0.00 C ATOM 451 C ASN A 27 6.743 7.366 6.614 1.00 0.00 C ATOM 452 O ASN A 27 6.367 8.246 7.388 1.00 0.00 O ATOM 453 CB ASN A 27 6.635 5.077 7.624 1.00 0.00 C ATOM 454 CG ASN A 27 6.240 5.461 9.035 1.00 0.00 C ATOM 455 OD1 ASN A 27 6.739 6.442 9.587 1.00 0.00 O ATOM 456 ND2 ASN A 27 5.340 4.687 9.629 1.00 0.00 N ATOM 0 H ASN A 27 6.682 4.560 5.205 1.00 0.00 H new ATOM 0 HA ASN A 27 4.981 6.171 6.798 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.310 4.056 7.424 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.722 5.088 7.539 1.00 0.00 H new ATOM 0 HD21 ASN A 27 5.036 4.896 10.580 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.952 3.884 9.134 1.00 0.00 H new ATOM 463 N GLN A 28 7.759 7.534 5.773 1.00 0.00 N ATOM 464 CA GLN A 28 8.496 8.789 5.719 1.00 0.00 C ATOM 465 C GLN A 28 7.637 9.871 5.084 1.00 0.00 C ATOM 466 O GLN A 28 7.632 11.019 5.526 1.00 0.00 O ATOM 467 CB GLN A 28 9.800 8.623 4.934 1.00 0.00 C ATOM 468 CG GLN A 28 11.046 8.804 5.784 1.00 0.00 C ATOM 469 CD GLN A 28 11.342 10.262 6.081 1.00 0.00 C ATOM 470 OE1 GLN A 28 12.159 10.892 5.409 1.00 0.00 O ATOM 471 NE2 GLN A 28 10.678 10.807 7.095 1.00 0.00 N ATOM 0 H GLN A 28 8.088 6.820 5.123 1.00 0.00 H new ATOM 0 HA GLN A 28 8.746 9.084 6.738 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.819 7.631 4.482 1.00 0.00 H new ATOM 0 HB3 GLN A 28 9.818 9.346 4.118 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.923 8.263 6.722 1.00 0.00 H new ATOM 0 HG3 GLN A 28 11.899 8.361 5.271 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.010 10.249 7.626 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.837 11.784 7.342 1.00 0.00 H new ATOM 480 N LEU A 29 6.899 9.485 4.050 1.00 0.00 N ATOM 481 CA LEU A 29 6.017 10.410 3.358 1.00 0.00 C ATOM 482 C LEU A 29 4.937 10.897 4.306 1.00 0.00 C ATOM 483 O LEU A 29 4.748 12.098 4.488 1.00 0.00 O ATOM 484 CB LEU A 29 5.387 9.738 2.139 1.00 0.00 C ATOM 485 CG LEU A 29 4.811 10.699 1.099 1.00 0.00 C ATOM 486 CD1 LEU A 29 5.815 10.941 -0.018 1.00 0.00 C ATOM 487 CD2 LEU A 29 3.505 10.157 0.538 1.00 0.00 C ATOM 0 H LEU A 29 6.896 8.537 3.674 1.00 0.00 H new ATOM 0 HA LEU A 29 6.602 11.264 3.015 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.139 9.113 1.658 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.592 9.074 2.479 1.00 0.00 H new ATOM 0 HG LEU A 29 4.605 11.652 1.587 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.388 11.627 -0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.725 11.374 0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.053 9.995 -0.504 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.109 10.854 -0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.685 9.191 0.066 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.784 10.037 1.346 1.00 0.00 H new ATOM 499 N ASP A 30 4.246 9.951 4.932 1.00 0.00 N ATOM 500 CA ASP A 30 3.199 10.284 5.887 1.00 0.00 C ATOM 501 C ASP A 30 3.790 11.074 7.050 1.00 0.00 C ATOM 502 O ASP A 30 3.079 11.787 7.755 1.00 0.00 O ATOM 503 CB ASP A 30 2.514 9.016 6.399 1.00 0.00 C ATOM 504 CG ASP A 30 1.181 9.306 7.060 1.00 0.00 C ATOM 505 OD1 ASP A 30 1.104 10.279 7.841 1.00 0.00 O ATOM 506 OD2 ASP A 30 0.214 8.561 6.798 1.00 0.00 O ATOM 0 H ASP A 30 4.392 8.951 4.795 1.00 0.00 H new ATOM 0 HA ASP A 30 2.450 10.897 5.386 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.362 8.327 5.568 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.169 8.515 7.112 1.00 0.00 H new ATOM 511 N ASP A 31 5.104 10.959 7.232 1.00 0.00 N ATOM 512 CA ASP A 31 5.785 11.687 8.290 1.00 0.00 C ATOM 513 C ASP A 31 6.073 13.108 7.823 1.00 0.00 C ATOM 514 O ASP A 31 6.092 14.047 8.619 1.00 0.00 O ATOM 515 CB ASP A 31 7.084 10.981 8.685 1.00 0.00 C ATOM 516 CG ASP A 31 6.981 10.296 10.034 1.00 0.00 C ATOM 517 OD1 ASP A 31 6.545 9.127 10.075 1.00 0.00 O ATOM 518 OD2 ASP A 31 7.338 10.930 11.050 1.00 0.00 O ATOM 0 H ASP A 31 5.712 10.371 6.662 1.00 0.00 H new ATOM 0 HA ASP A 31 5.141 11.720 9.168 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.340 10.243 7.924 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.896 11.707 8.710 1.00 0.00 H new ATOM 523 N ASP A 32 6.272 13.257 6.515 1.00 0.00 N ATOM 524 CA ASP A 32 6.533 14.562 5.926 1.00 0.00 C ATOM 525 C ASP A 32 5.220 15.309 5.725 1.00 0.00 C ATOM 526 O ASP A 32 5.163 16.533 5.841 1.00 0.00 O ATOM 527 CB ASP A 32 7.263 14.411 4.590 1.00 0.00 C ATOM 528 CG ASP A 32 8.236 15.544 4.332 1.00 0.00 C ATOM 529 OD1 ASP A 32 7.977 16.669 4.810 1.00 0.00 O ATOM 530 OD2 ASP A 32 9.256 15.307 3.652 1.00 0.00 O ATOM 0 H ASP A 32 6.257 12.488 5.845 1.00 0.00 H new ATOM 0 HA ASP A 32 7.169 15.132 6.603 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.802 13.463 4.578 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.532 14.372 3.782 1.00 0.00 H new ATOM 535 N ILE A 33 4.161 14.555 5.433 1.00 0.00 N ATOM 536 CA ILE A 33 2.846 15.130 5.229 1.00 0.00 C ATOM 537 C ILE A 33 2.340 15.757 6.522 1.00 0.00 C ATOM 538 O ILE A 33 1.637 16.766 6.501 1.00 0.00 O ATOM 539 CB ILE A 33 1.839 14.068 4.722 1.00 0.00 C ATOM 540 CG1 ILE A 33 1.335 13.191 5.871 1.00 0.00 C ATOM 541 CG2 ILE A 33 2.465 13.216 3.627 1.00 0.00 C ATOM 542 CD1 ILE A 33 0.018 13.657 6.454 1.00 0.00 C ATOM 0 H ILE A 33 4.196 13.540 5.334 1.00 0.00 H new ATOM 0 HA ILE A 33 2.933 15.903 4.466 1.00 0.00 H new ATOM 0 HB ILE A 33 0.981 14.592 4.302 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.223 12.167 5.514 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.086 13.173 6.660 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.742 12.476 3.284 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.756 13.853 2.792 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.346 12.708 4.020 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.278 12.989 7.263 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.130 14.670 6.842 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.747 13.648 5.678 1.00 0.00 H new ATOM 554 N LYS A 34 2.724 15.162 7.651 1.00 0.00 N ATOM 555 CA LYS A 34 2.326 15.681 8.950 1.00 0.00 C ATOM 556 C LYS A 34 3.243 16.828 9.341 1.00 0.00 C ATOM 557 O LYS A 34 2.800 17.835 9.892 1.00 0.00 O ATOM 558 CB LYS A 34 2.374 14.583 10.012 1.00 0.00 C ATOM 559 CG LYS A 34 3.723 13.889 10.113 1.00 0.00 C ATOM 560 CD LYS A 34 3.820 13.043 11.373 1.00 0.00 C ATOM 561 CE LYS A 34 2.860 11.866 11.330 1.00 0.00 C ATOM 562 NZ LYS A 34 2.364 11.504 12.687 1.00 0.00 N ATOM 0 H LYS A 34 3.307 14.326 7.688 1.00 0.00 H new ATOM 0 HA LYS A 34 1.300 16.043 8.883 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.125 15.016 10.981 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.609 13.840 9.788 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.876 13.258 9.237 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.518 14.634 10.112 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.840 12.677 11.489 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.601 13.660 12.244 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.014 12.111 10.688 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.360 11.006 10.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.712 10.697 12.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.169 11.246 13.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.865 12.316 13.102 1.00 0.00 H new ATOM 576 N THR A 35 4.525 16.675 9.025 1.00 0.00 N ATOM 577 CA THR A 35 5.506 17.708 9.316 1.00 0.00 C ATOM 578 C THR A 35 5.210 18.945 8.479 1.00 0.00 C ATOM 579 O THR A 35 5.491 20.071 8.891 1.00 0.00 O ATOM 580 CB THR A 35 6.919 17.202 9.027 1.00 0.00 C ATOM 581 OG1 THR A 35 7.185 16.016 9.751 1.00 0.00 O ATOM 582 CG2 THR A 35 7.997 18.206 9.376 1.00 0.00 C ATOM 0 H THR A 35 4.906 15.846 8.568 1.00 0.00 H new ATOM 0 HA THR A 35 5.444 17.966 10.373 1.00 0.00 H new ATOM 0 HB THR A 35 6.947 17.022 7.952 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.061 15.240 9.165 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.975 17.784 9.147 1.00 0.00 H new ATOM 0 HG22 THR A 35 7.849 19.116 8.794 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.944 18.442 10.439 1.00 0.00 H new ATOM 590 N ALA A 36 4.624 18.723 7.304 1.00 0.00 N ATOM 591 CA ALA A 36 4.271 19.816 6.408 1.00 0.00 C ATOM 592 C ALA A 36 2.868 20.333 6.714 1.00 0.00 C ATOM 593 O ALA A 36 2.536 21.477 6.401 1.00 0.00 O ATOM 594 CB ALA A 36 4.366 19.362 4.959 1.00 0.00 C ATOM 0 H ALA A 36 4.385 17.796 6.953 1.00 0.00 H new ATOM 0 HA ALA A 36 4.977 20.632 6.565 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.100 20.189 4.300 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.385 19.041 4.744 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.681 18.530 4.793 1.00 0.00 H new ATOM 600 N GLU A 37 2.047 19.485 7.332 1.00 0.00 N ATOM 601 CA GLU A 37 0.682 19.861 7.683 1.00 0.00 C ATOM 602 C GLU A 37 0.647 20.607 9.015 1.00 0.00 C ATOM 603 O GLU A 37 -0.298 21.343 9.299 1.00 0.00 O ATOM 604 CB GLU A 37 -0.208 18.619 7.761 1.00 0.00 C ATOM 605 CG GLU A 37 -0.889 18.274 6.447 1.00 0.00 C ATOM 606 CD GLU A 37 -1.887 17.141 6.588 1.00 0.00 C ATOM 607 OE1 GLU A 37 -2.609 17.108 7.607 1.00 0.00 O ATOM 608 OE2 GLU A 37 -1.946 16.285 5.680 1.00 0.00 O ATOM 0 H GLU A 37 2.305 18.535 7.599 1.00 0.00 H new ATOM 0 HA GLU A 37 0.304 20.524 6.904 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.395 17.770 8.082 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.970 18.776 8.525 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.399 19.157 6.064 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.133 17.998 5.712 1.00 0.00 H new ATOM 615 N GLN A 38 1.679 20.408 9.828 1.00 0.00 N ATOM 616 CA GLN A 38 1.765 21.058 11.130 1.00 0.00 C ATOM 617 C GLN A 38 1.690 22.576 10.995 1.00 0.00 C ATOM 618 O GLN A 38 1.033 23.246 11.790 1.00 0.00 O ATOM 619 CB GLN A 38 3.061 20.660 11.837 1.00 0.00 C ATOM 620 CG GLN A 38 2.962 19.348 12.597 1.00 0.00 C ATOM 621 CD GLN A 38 4.320 18.763 12.931 1.00 0.00 C ATOM 622 OE1 GLN A 38 5.272 19.493 13.207 1.00 0.00 O ATOM 623 NE2 GLN A 38 4.416 17.439 12.908 1.00 0.00 N ATOM 0 H GLN A 38 2.468 19.801 9.608 1.00 0.00 H new ATOM 0 HA GLN A 38 0.915 20.726 11.727 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.859 20.583 11.098 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.344 21.452 12.531 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.403 19.508 13.519 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.398 18.630 12.002 1.00 0.00 H new ATOM 0 HE21 GLN A 38 3.601 16.873 12.674 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.305 16.988 13.125 1.00 0.00 H new ATOM 632 N GLN A 39 2.371 23.115 9.987 1.00 0.00 N ATOM 633 CA GLN A 39 2.378 24.555 9.760 1.00 0.00 C ATOM 634 C GLN A 39 1.787 24.903 8.398 1.00 0.00 C ATOM 635 O GLN A 39 1.302 26.015 8.190 1.00 0.00 O ATOM 636 CB GLN A 39 3.806 25.099 9.862 1.00 0.00 C ATOM 637 CG GLN A 39 4.686 24.744 8.672 1.00 0.00 C ATOM 638 CD GLN A 39 5.508 23.492 8.909 1.00 0.00 C ATOM 639 OE1 GLN A 39 6.102 23.317 9.973 1.00 0.00 O ATOM 640 NE2 GLN A 39 5.546 22.613 7.913 1.00 0.00 N ATOM 0 H GLN A 39 2.922 22.578 9.318 1.00 0.00 H new ATOM 0 HA GLN A 39 1.759 25.018 10.529 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.765 26.184 9.961 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.268 24.713 10.771 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.060 24.602 7.791 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.354 25.578 8.457 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.038 22.800 7.048 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.083 21.752 8.013 1.00 0.00 H new ATOM 649 N ASN A 40 1.847 23.953 7.467 1.00 0.00 N ATOM 650 CA ASN A 40 1.332 24.170 6.123 1.00 0.00 C ATOM 651 C ASN A 40 2.146 25.241 5.411 1.00 0.00 C ATOM 652 O ASN A 40 1.598 26.206 4.878 1.00 0.00 O ATOM 653 CB ASN A 40 -0.140 24.577 6.177 1.00 0.00 C ATOM 654 CG ASN A 40 -1.074 23.384 6.106 1.00 0.00 C ATOM 655 OD1 ASN A 40 -0.954 22.483 7.074 1.00 0.00 O flip ATOM 656 ND2 ASN A 40 -1.892 23.273 5.193 1.00 0.00 N flip ATOM 0 H ASN A 40 2.247 23.028 7.621 1.00 0.00 H new ATOM 0 HA ASN A 40 1.417 23.237 5.565 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.328 25.128 7.099 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -0.357 25.254 5.351 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -1.950 23.990 4.470 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -2.512 22.464 5.160 1.00 0.00 H new ATOM 663 N ALA A 41 3.466 25.061 5.412 1.00 0.00 N ATOM 664 CA ALA A 41 4.376 26.007 4.769 1.00 0.00 C ATOM 665 C ALA A 41 3.842 26.467 3.415 1.00 0.00 C ATOM 666 O ALA A 41 4.101 27.590 2.983 1.00 0.00 O ATOM 667 CB ALA A 41 5.754 25.384 4.609 1.00 0.00 C ATOM 0 H ALA A 41 3.930 24.266 5.852 1.00 0.00 H new ATOM 0 HA ALA A 41 4.453 26.885 5.411 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.423 26.098 4.129 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.150 25.119 5.590 1.00 0.00 H new ATOM 0 HB3 ALA A 41 5.679 24.487 3.994 1.00 0.00 H new ATOM 673 N SER A 42 3.094 25.592 2.751 1.00 0.00 N ATOM 674 CA SER A 42 2.520 25.909 1.450 1.00 0.00 C ATOM 675 C SER A 42 1.444 24.898 1.069 1.00 0.00 C ATOM 676 O SER A 42 1.712 23.701 0.958 1.00 0.00 O ATOM 677 CB SER A 42 3.614 25.937 0.380 1.00 0.00 C ATOM 678 OG SER A 42 4.036 27.265 0.116 1.00 0.00 O ATOM 0 H SER A 42 2.871 24.657 3.093 1.00 0.00 H new ATOM 0 HA SER A 42 2.059 26.895 1.514 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.465 25.341 0.710 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.241 25.481 -0.537 1.00 0.00 H new ATOM 0 HG SER A 42 4.173 27.739 0.963 1.00 0.00 H new ATOM 684 N ASP A 43 0.223 25.388 0.863 1.00 0.00 N ATOM 685 CA ASP A 43 -0.899 24.533 0.487 1.00 0.00 C ATOM 686 C ASP A 43 -0.504 23.607 -0.654 1.00 0.00 C ATOM 687 O ASP A 43 -0.678 22.391 -0.575 1.00 0.00 O ATOM 688 CB ASP A 43 -2.105 25.382 0.080 1.00 0.00 C ATOM 689 CG ASP A 43 -2.418 26.465 1.093 1.00 0.00 C ATOM 690 OD1 ASP A 43 -2.705 26.122 2.259 1.00 0.00 O ATOM 691 OD2 ASP A 43 -2.377 27.656 0.721 1.00 0.00 O ATOM 0 H ASP A 43 -0.014 26.376 0.951 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.172 23.927 1.351 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.912 25.840 -0.890 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.976 24.737 -0.039 1.00 0.00 H new ATOM 696 N ALA A 44 0.049 24.193 -1.708 1.00 0.00 N ATOM 697 CA ALA A 44 0.495 23.423 -2.858 1.00 0.00 C ATOM 698 C ALA A 44 1.566 22.427 -2.437 1.00 0.00 C ATOM 699 O ALA A 44 1.704 21.357 -3.028 1.00 0.00 O ATOM 700 CB ALA A 44 1.023 24.349 -3.945 1.00 0.00 C ATOM 0 H ALA A 44 0.199 25.199 -1.789 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.354 22.871 -3.262 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.353 23.757 -4.799 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.232 25.029 -4.259 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.863 24.924 -3.556 1.00 0.00 H new ATOM 706 N GLU A 45 2.316 22.788 -1.399 1.00 0.00 N ATOM 707 CA GLU A 45 3.370 21.929 -0.877 1.00 0.00 C ATOM 708 C GLU A 45 2.774 20.773 -0.090 1.00 0.00 C ATOM 709 O GLU A 45 3.200 19.626 -0.230 1.00 0.00 O ATOM 710 CB GLU A 45 4.316 22.732 0.019 1.00 0.00 C ATOM 711 CG GLU A 45 5.688 22.098 0.180 1.00 0.00 C ATOM 712 CD GLU A 45 6.807 23.121 0.177 1.00 0.00 C ATOM 713 OE1 GLU A 45 6.717 24.096 -0.599 1.00 0.00 O ATOM 714 OE2 GLU A 45 7.772 22.949 0.949 1.00 0.00 O ATOM 0 H GLU A 45 2.211 23.673 -0.903 1.00 0.00 H new ATOM 0 HA GLU A 45 3.933 21.528 -1.720 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.434 23.733 -0.397 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.861 22.847 1.003 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.717 21.536 1.113 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.851 21.384 -0.627 1.00 0.00 H new ATOM 721 N VAL A 46 1.783 21.083 0.735 1.00 0.00 N ATOM 722 CA VAL A 46 1.123 20.066 1.543 1.00 0.00 C ATOM 723 C VAL A 46 0.174 19.224 0.696 1.00 0.00 C ATOM 724 O VAL A 46 -0.161 18.096 1.060 1.00 0.00 O ATOM 725 CB VAL A 46 0.337 20.687 2.712 1.00 0.00 C ATOM 726 CG1 VAL A 46 -0.039 19.616 3.726 1.00 0.00 C ATOM 727 CG2 VAL A 46 1.140 21.800 3.373 1.00 0.00 C ATOM 0 H VAL A 46 1.419 22.027 0.862 1.00 0.00 H new ATOM 0 HA VAL A 46 1.910 19.430 1.949 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.580 21.124 2.317 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.594 20.071 4.546 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.658 18.860 3.244 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.866 19.149 4.115 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.565 22.224 4.196 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.077 21.395 3.756 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.354 22.579 2.641 1.00 0.00 H new ATOM 737 N SER A 47 -0.255 19.775 -0.436 1.00 0.00 N ATOM 738 CA SER A 47 -1.163 19.070 -1.332 1.00 0.00 C ATOM 739 C SER A 47 -0.397 18.164 -2.285 1.00 0.00 C ATOM 740 O SER A 47 -0.947 17.197 -2.813 1.00 0.00 O ATOM 741 CB SER A 47 -2.012 20.065 -2.123 1.00 0.00 C ATOM 742 OG SER A 47 -3.222 19.470 -2.559 1.00 0.00 O ATOM 0 H SER A 47 0.012 20.707 -0.753 1.00 0.00 H new ATOM 0 HA SER A 47 -1.820 18.449 -0.723 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.233 20.933 -1.502 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.449 20.424 -2.984 1.00 0.00 H new ATOM 0 HG SER A 47 -3.748 20.127 -3.061 1.00 0.00 H new ATOM 748 N HIS A 48 0.872 18.476 -2.497 1.00 0.00 N ATOM 749 CA HIS A 48 1.712 17.688 -3.381 1.00 0.00 C ATOM 750 C HIS A 48 2.251 16.460 -2.658 1.00 0.00 C ATOM 751 O HIS A 48 2.490 15.420 -3.272 1.00 0.00 O ATOM 752 CB HIS A 48 2.861 18.544 -3.894 1.00 0.00 C ATOM 753 CG HIS A 48 3.395 18.104 -5.221 1.00 0.00 C ATOM 754 ND1 HIS A 48 3.595 18.969 -6.276 1.00 0.00 N ATOM 755 CD2 HIS A 48 3.772 16.881 -5.663 1.00 0.00 C ATOM 756 CE1 HIS A 48 4.072 18.297 -7.310 1.00 0.00 C ATOM 757 NE2 HIS A 48 4.189 17.029 -6.963 1.00 0.00 N ATOM 0 H HIS A 48 1.343 19.272 -2.067 1.00 0.00 H new ATOM 0 HA HIS A 48 1.112 17.349 -4.226 1.00 0.00 H new ATOM 0 HB2 HIS A 48 2.525 19.578 -3.973 1.00 0.00 H new ATOM 0 HB3 HIS A 48 3.670 18.526 -3.163 1.00 0.00 H new ATOM 0 HD2 HIS A 48 3.749 15.961 -5.098 1.00 0.00 H new ATOM 0 HE1 HIS A 48 4.323 18.714 -8.274 1.00 0.00 H new ATOM 0 HE2 HIS A 48 4.534 16.280 -7.563 1.00 0.00 H new ATOM 766 N MET A 49 2.439 16.587 -1.348 1.00 0.00 N ATOM 767 CA MET A 49 2.946 15.487 -0.540 1.00 0.00 C ATOM 768 C MET A 49 1.879 14.420 -0.353 1.00 0.00 C ATOM 769 O MET A 49 2.176 13.226 -0.351 1.00 0.00 O ATOM 770 CB MET A 49 3.425 15.997 0.820 1.00 0.00 C ATOM 771 CG MET A 49 4.547 17.019 0.727 1.00 0.00 C ATOM 772 SD MET A 49 6.165 16.255 0.518 1.00 0.00 S ATOM 773 CE MET A 49 7.242 17.646 0.857 1.00 0.00 C ATOM 0 H MET A 49 2.247 17.441 -0.825 1.00 0.00 H new ATOM 0 HA MET A 49 3.792 15.043 -1.065 1.00 0.00 H new ATOM 0 HB2 MET A 49 2.582 16.442 1.349 1.00 0.00 H new ATOM 0 HB3 MET A 49 3.765 15.151 1.417 1.00 0.00 H new ATOM 0 HG2 MET A 49 4.355 17.689 -0.111 1.00 0.00 H new ATOM 0 HG3 MET A 49 4.552 17.631 1.629 1.00 0.00 H new ATOM 0 HE1 MET A 49 8.282 17.331 0.767 1.00 0.00 H new ATOM 0 HE2 MET A 49 7.041 18.444 0.142 1.00 0.00 H new ATOM 0 HE3 MET A 49 7.059 18.010 1.868 1.00 0.00 H new ATOM 783 N LYS A 50 0.632 14.854 -0.204 1.00 0.00 N ATOM 784 CA LYS A 50 -0.471 13.920 -0.029 1.00 0.00 C ATOM 785 C LYS A 50 -0.693 13.121 -1.301 1.00 0.00 C ATOM 786 O LYS A 50 -1.019 11.935 -1.250 1.00 0.00 O ATOM 787 CB LYS A 50 -1.755 14.649 0.342 1.00 0.00 C ATOM 788 CG LYS A 50 -1.713 15.307 1.711 1.00 0.00 C ATOM 789 CD LYS A 50 -3.077 15.850 2.108 1.00 0.00 C ATOM 790 CE LYS A 50 -3.351 17.196 1.458 1.00 0.00 C ATOM 791 NZ LYS A 50 -4.789 17.360 1.104 1.00 0.00 N ATOM 0 H LYS A 50 0.362 15.838 -0.201 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.207 13.244 0.784 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.960 15.410 -0.411 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.584 13.942 0.314 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.378 14.583 2.454 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.985 16.118 1.704 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.851 15.140 1.817 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.128 15.951 3.192 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.051 17.995 2.137 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.742 17.296 0.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.934 18.291 0.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.070 16.613 0.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.369 17.291 1.965 1.00 0.00 H new ATOM 805 N LYS A 51 -0.498 13.769 -2.446 1.00 0.00 N ATOM 806 CA LYS A 51 -0.661 13.094 -3.726 1.00 0.00 C ATOM 807 C LYS A 51 0.227 11.859 -3.769 1.00 0.00 C ATOM 808 O LYS A 51 -0.105 10.860 -4.405 1.00 0.00 O ATOM 809 CB LYS A 51 -0.319 14.039 -4.882 1.00 0.00 C ATOM 810 CG LYS A 51 -1.384 14.084 -5.967 1.00 0.00 C ATOM 811 CD LYS A 51 -2.129 15.410 -5.968 1.00 0.00 C ATOM 812 CE LYS A 51 -3.627 15.208 -6.122 1.00 0.00 C ATOM 813 NZ LYS A 51 -3.949 14.225 -7.195 1.00 0.00 N ATOM 0 H LYS A 51 -0.230 14.751 -2.512 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.702 12.789 -3.835 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.172 15.044 -4.487 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.627 13.729 -5.326 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.919 13.927 -6.940 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.092 13.269 -5.817 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.926 15.943 -5.039 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.760 16.035 -6.781 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.046 14.863 -5.177 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.100 16.163 -6.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.851 14.483 -7.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.194 14.231 -7.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.027 13.274 -6.782 1.00 0.00 H new ATOM 827 N GLN A 52 1.350 11.935 -3.061 1.00 0.00 N ATOM 828 CA GLN A 52 2.280 10.821 -2.985 1.00 0.00 C ATOM 829 C GLN A 52 1.829 9.829 -1.915 1.00 0.00 C ATOM 830 O GLN A 52 2.281 8.686 -1.888 1.00 0.00 O ATOM 831 CB GLN A 52 3.691 11.325 -2.681 1.00 0.00 C ATOM 832 CG GLN A 52 4.379 11.968 -3.874 1.00 0.00 C ATOM 833 CD GLN A 52 4.684 10.972 -4.976 1.00 0.00 C ATOM 834 OE1 GLN A 52 5.212 9.889 -4.722 1.00 0.00 O ATOM 835 NE2 GLN A 52 4.353 11.335 -6.210 1.00 0.00 N ATOM 0 H GLN A 52 1.635 12.759 -2.532 1.00 0.00 H new ATOM 0 HA GLN A 52 2.294 10.313 -3.949 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.642 12.049 -1.867 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.298 10.491 -2.329 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.745 12.761 -4.271 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.307 12.436 -3.545 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.917 12.242 -6.375 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.535 10.707 -6.993 1.00 0.00 H new ATOM 844 N LYS A 53 0.924 10.273 -1.037 1.00 0.00 N ATOM 845 CA LYS A 53 0.406 9.419 0.025 1.00 0.00 C ATOM 846 C LYS A 53 -0.389 8.264 -0.561 1.00 0.00 C ATOM 847 O LYS A 53 -0.043 7.097 -0.381 1.00 0.00 O ATOM 848 CB LYS A 53 -0.489 10.229 0.956 1.00 0.00 C ATOM 849 CG LYS A 53 -0.482 9.735 2.394 1.00 0.00 C ATOM 850 CD LYS A 53 -1.617 8.756 2.651 1.00 0.00 C ATOM 851 CE LYS A 53 -2.796 9.436 3.329 1.00 0.00 C ATOM 852 NZ LYS A 53 -3.599 10.242 2.368 1.00 0.00 N ATOM 0 H LYS A 53 0.539 11.217 -1.044 1.00 0.00 H new ATOM 0 HA LYS A 53 1.250 9.020 0.588 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.169 11.271 0.938 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.511 10.203 0.577 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.472 9.253 2.610 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.571 10.584 3.072 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.942 8.318 1.707 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.259 7.938 3.276 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.433 8.682 3.792 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.432 10.081 4.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.393 10.689 2.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.998 10.978 1.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.967 9.622 1.618 1.00 0.00 H new ATOM 866 N LEU A 54 -1.454 8.606 -1.276 1.00 0.00 N ATOM 867 CA LEU A 54 -2.304 7.612 -1.911 1.00 0.00 C ATOM 868 C LEU A 54 -1.483 6.766 -2.871 1.00 0.00 C ATOM 869 O LEU A 54 -1.834 5.625 -3.172 1.00 0.00 O ATOM 870 CB LEU A 54 -3.454 8.289 -2.658 1.00 0.00 C ATOM 871 CG LEU A 54 -4.426 7.335 -3.353 1.00 0.00 C ATOM 872 CD1 LEU A 54 -5.607 7.022 -2.446 1.00 0.00 C ATOM 873 CD2 LEU A 54 -4.905 7.928 -4.670 1.00 0.00 C ATOM 0 H LEU A 54 -1.749 9.570 -1.430 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.725 6.968 -1.139 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.014 8.903 -1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.035 8.963 -3.405 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.901 6.404 -3.566 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.288 6.342 -2.957 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.248 6.555 -1.529 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.132 7.945 -2.201 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.596 7.236 -5.151 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.413 8.874 -4.480 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.050 8.100 -5.324 1.00 0.00 H new ATOM 885 N LYS A 55 -0.372 7.332 -3.334 1.00 0.00 N ATOM 886 CA LYS A 55 0.516 6.624 -4.243 1.00 0.00 C ATOM 887 C LYS A 55 1.397 5.679 -3.451 1.00 0.00 C ATOM 888 O LYS A 55 1.524 4.501 -3.786 1.00 0.00 O ATOM 889 CB LYS A 55 1.367 7.606 -5.050 1.00 0.00 C ATOM 890 CG LYS A 55 0.877 7.804 -6.475 1.00 0.00 C ATOM 891 CD LYS A 55 1.887 8.575 -7.309 1.00 0.00 C ATOM 892 CE LYS A 55 1.214 9.333 -8.442 1.00 0.00 C ATOM 893 NZ LYS A 55 2.194 10.108 -9.250 1.00 0.00 N ATOM 0 H LYS A 55 -0.068 8.276 -3.094 1.00 0.00 H new ATOM 0 HA LYS A 55 -0.084 6.049 -4.948 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.377 8.570 -4.541 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.396 7.248 -5.075 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.689 6.834 -6.934 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.072 8.340 -6.463 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.427 9.276 -6.672 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.624 7.884 -7.719 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.687 8.630 -9.087 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.466 10.011 -8.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.695 10.610 -10.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.679 10.797 -8.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.894 9.459 -9.663 1.00 0.00 H new ATOM 907 N LEU A 56 1.967 6.192 -2.372 1.00 0.00 N ATOM 908 CA LEU A 56 2.791 5.376 -1.504 1.00 0.00 C ATOM 909 C LEU A 56 1.901 4.423 -0.721 1.00 0.00 C ATOM 910 O LEU A 56 2.383 3.496 -0.072 1.00 0.00 O ATOM 911 CB LEU A 56 3.612 6.249 -0.553 1.00 0.00 C ATOM 912 CG LEU A 56 4.990 6.653 -1.077 1.00 0.00 C ATOM 913 CD1 LEU A 56 4.854 7.628 -2.236 1.00 0.00 C ATOM 914 CD2 LEU A 56 5.828 7.260 0.039 1.00 0.00 C ATOM 0 H LEU A 56 1.873 7.165 -2.080 1.00 0.00 H new ATOM 0 HA LEU A 56 3.490 4.802 -2.112 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.044 7.153 -0.332 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.740 5.714 0.388 1.00 0.00 H new ATOM 0 HG LEU A 56 5.498 5.759 -1.439 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.845 7.905 -2.597 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.292 7.158 -3.043 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.327 8.521 -1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.806 7.542 -0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.326 8.144 0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.954 6.529 0.838 1.00 0.00 H new ATOM 926 N LYS A 57 0.585 4.638 -0.814 1.00 0.00 N ATOM 927 CA LYS A 57 -0.368 3.770 -0.143 1.00 0.00 C ATOM 928 C LYS A 57 -0.687 2.591 -1.047 1.00 0.00 C ATOM 929 O LYS A 57 -0.935 1.480 -0.580 1.00 0.00 O ATOM 930 CB LYS A 57 -1.653 4.526 0.202 1.00 0.00 C ATOM 931 CG LYS A 57 -2.773 3.627 0.709 1.00 0.00 C ATOM 932 CD LYS A 57 -4.129 4.305 0.590 1.00 0.00 C ATOM 933 CE LYS A 57 -4.559 4.925 1.909 1.00 0.00 C ATOM 934 NZ LYS A 57 -5.679 5.890 1.730 1.00 0.00 N ATOM 0 H LYS A 57 0.165 5.401 -1.345 1.00 0.00 H new ATOM 0 HA LYS A 57 0.074 3.416 0.789 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.430 5.277 0.960 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.999 5.059 -0.683 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.779 2.697 0.141 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.587 3.364 1.750 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.085 5.077 -0.179 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.874 3.577 0.269 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.865 4.137 2.598 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.710 5.435 2.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.943 6.291 2.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.379 6.655 1.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.498 5.399 1.319 1.00 0.00 H new ATOM 948 N ASP A 58 -0.667 2.847 -2.351 1.00 0.00 N ATOM 949 CA ASP A 58 -0.940 1.818 -3.338 1.00 0.00 C ATOM 950 C ASP A 58 0.007 0.643 -3.155 1.00 0.00 C ATOM 951 O ASP A 58 -0.378 -0.505 -3.343 1.00 0.00 O ATOM 952 CB ASP A 58 -0.805 2.386 -4.752 1.00 0.00 C ATOM 953 CG ASP A 58 -1.782 1.755 -5.724 1.00 0.00 C ATOM 954 OD1 ASP A 58 -2.999 1.997 -5.584 1.00 0.00 O ATOM 955 OD2 ASP A 58 -1.330 1.020 -6.627 1.00 0.00 O ATOM 0 H ASP A 58 -0.463 3.765 -2.747 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.963 1.469 -3.197 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.968 3.463 -4.725 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.212 2.227 -5.109 1.00 0.00 H new ATOM 960 N GLU A 59 1.247 0.936 -2.778 1.00 0.00 N ATOM 961 CA GLU A 59 2.236 -0.112 -2.565 1.00 0.00 C ATOM 962 C GLU A 59 1.911 -0.918 -1.312 1.00 0.00 C ATOM 963 O GLU A 59 2.080 -2.137 -1.286 1.00 0.00 O ATOM 964 CB GLU A 59 3.640 0.486 -2.458 1.00 0.00 C ATOM 965 CG GLU A 59 3.742 1.625 -1.459 1.00 0.00 C ATOM 966 CD GLU A 59 5.178 1.988 -1.134 1.00 0.00 C ATOM 967 OE1 GLU A 59 6.072 1.643 -1.935 1.00 0.00 O ATOM 968 OE2 GLU A 59 5.408 2.616 -0.080 1.00 0.00 O ATOM 0 H GLU A 59 1.588 1.883 -2.615 1.00 0.00 H new ATOM 0 HA GLU A 59 2.206 -0.782 -3.424 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.340 -0.300 -2.173 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.948 0.846 -3.440 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.231 2.501 -1.859 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.225 1.346 -0.541 1.00 0.00 H new ATOM 975 N ILE A 60 1.435 -0.234 -0.277 1.00 0.00 N ATOM 976 CA ILE A 60 1.078 -0.895 0.974 1.00 0.00 C ATOM 977 C ILE A 60 -0.284 -1.568 0.858 1.00 0.00 C ATOM 978 O ILE A 60 -0.536 -2.596 1.486 1.00 0.00 O ATOM 979 CB ILE A 60 1.061 0.098 2.157 1.00 0.00 C ATOM 980 CG1 ILE A 60 2.472 0.625 2.431 1.00 0.00 C ATOM 981 CG2 ILE A 60 0.486 -0.558 3.407 1.00 0.00 C ATOM 982 CD1 ILE A 60 3.419 -0.424 2.981 1.00 0.00 C ATOM 0 H ILE A 60 1.288 0.775 -0.279 1.00 0.00 H new ATOM 0 HA ILE A 60 1.840 -1.650 1.167 1.00 0.00 H new ATOM 0 HB ILE A 60 0.421 0.938 1.888 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.886 1.026 1.506 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.410 1.452 3.138 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.484 0.160 4.227 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.535 -0.886 3.209 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.097 -1.419 3.680 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.399 0.023 3.150 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.028 -0.809 3.923 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.512 -1.241 2.266 1.00 0.00 H new ATOM 994 N HIS A 61 -1.160 -0.989 0.046 1.00 0.00 N ATOM 995 CA HIS A 61 -2.491 -1.546 -0.153 1.00 0.00 C ATOM 996 C HIS A 61 -2.461 -2.607 -1.242 1.00 0.00 C ATOM 997 O HIS A 61 -3.233 -3.563 -1.211 1.00 0.00 O ATOM 998 CB HIS A 61 -3.488 -0.442 -0.512 1.00 0.00 C ATOM 999 CG HIS A 61 -4.887 -0.937 -0.707 1.00 0.00 C ATOM 1000 ND1 HIS A 61 -5.407 -1.252 -1.945 1.00 0.00 N ATOM 1001 CD2 HIS A 61 -5.879 -1.168 0.186 1.00 0.00 C ATOM 1002 CE1 HIS A 61 -6.658 -1.655 -1.805 1.00 0.00 C ATOM 1003 NE2 HIS A 61 -6.968 -1.615 -0.523 1.00 0.00 N ATOM 0 H HIS A 61 -0.973 -0.137 -0.483 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.814 -2.011 0.779 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.484 0.310 0.277 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -3.156 0.053 -1.425 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -4.905 -1.185 -2.830 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -5.824 -1.027 1.255 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -7.315 -1.965 -2.604 1.00 0.00 H new ATOM 1012 N SER A 62 -1.553 -2.442 -2.196 1.00 0.00 N ATOM 1013 CA SER A 62 -1.416 -3.406 -3.279 1.00 0.00 C ATOM 1014 C SER A 62 -0.601 -4.607 -2.816 1.00 0.00 C ATOM 1015 O SER A 62 -0.733 -5.704 -3.359 1.00 0.00 O ATOM 1016 CB SER A 62 -0.756 -2.769 -4.503 1.00 0.00 C ATOM 1017 OG SER A 62 -0.691 -3.684 -5.582 1.00 0.00 O ATOM 0 H SER A 62 -0.905 -1.656 -2.242 1.00 0.00 H new ATOM 0 HA SER A 62 -2.415 -3.738 -3.562 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.319 -1.886 -4.805 1.00 0.00 H new ATOM 0 HB3 SER A 62 0.249 -2.434 -4.245 1.00 0.00 H new ATOM 0 HG SER A 62 -0.266 -3.252 -6.352 1.00 0.00 H new ATOM 1023 N MET A 63 0.242 -4.398 -1.804 1.00 0.00 N ATOM 1024 CA MET A 63 1.067 -5.475 -1.275 1.00 0.00 C ATOM 1025 C MET A 63 0.222 -6.459 -0.472 1.00 0.00 C ATOM 1026 O MET A 63 0.573 -7.633 -0.352 1.00 0.00 O ATOM 1027 CB MET A 63 2.188 -4.909 -0.402 1.00 0.00 C ATOM 1028 CG MET A 63 3.449 -4.573 -1.182 1.00 0.00 C ATOM 1029 SD MET A 63 4.281 -6.039 -1.822 1.00 0.00 S ATOM 1030 CE MET A 63 5.021 -6.694 -0.328 1.00 0.00 C ATOM 0 H MET A 63 0.368 -3.499 -1.340 1.00 0.00 H new ATOM 0 HA MET A 63 1.511 -6.007 -2.116 1.00 0.00 H new ATOM 0 HB2 MET A 63 1.829 -4.010 0.099 1.00 0.00 H new ATOM 0 HB3 MET A 63 2.433 -5.632 0.376 1.00 0.00 H new ATOM 0 HG2 MET A 63 3.194 -3.914 -2.012 1.00 0.00 H new ATOM 0 HG3 MET A 63 4.135 -4.023 -0.537 1.00 0.00 H new ATOM 0 HE1 MET A 63 5.557 -7.614 -0.561 1.00 0.00 H new ATOM 0 HE2 MET A 63 5.717 -5.963 0.084 1.00 0.00 H new ATOM 0 HE3 MET A 63 4.240 -6.903 0.403 1.00 0.00 H new ATOM 1040 N ILE A 64 -0.893 -5.977 0.073 1.00 0.00 N ATOM 1041 CA ILE A 64 -1.780 -6.825 0.861 1.00 0.00 C ATOM 1042 C ILE A 64 -2.609 -7.730 -0.030 1.00 0.00 C ATOM 1043 O ILE A 64 -2.918 -8.862 0.335 1.00 0.00 O ATOM 1044 CB ILE A 64 -2.710 -5.985 1.749 1.00 0.00 C ATOM 1045 CG1 ILE A 64 -3.264 -6.837 2.901 1.00 0.00 C ATOM 1046 CG2 ILE A 64 -3.828 -5.339 0.934 1.00 0.00 C ATOM 1047 CD1 ILE A 64 -4.429 -7.725 2.515 1.00 0.00 C ATOM 0 H ILE A 64 -1.201 -5.009 -0.017 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.148 -7.443 1.499 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.127 -5.173 2.182 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.462 -7.461 3.295 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.578 -6.175 3.708 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.467 -4.752 1.594 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.395 -4.688 0.175 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.421 -6.115 0.451 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.759 -8.292 3.386 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.251 -7.109 2.151 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.117 -8.414 1.731 1.00 0.00 H new ATOM 1059 N ILE A 65 -2.948 -7.234 -1.209 1.00 0.00 N ATOM 1060 CA ILE A 65 -3.718 -8.012 -2.158 1.00 0.00 C ATOM 1061 C ILE A 65 -2.882 -9.187 -2.612 1.00 0.00 C ATOM 1062 O ILE A 65 -3.362 -10.315 -2.718 1.00 0.00 O ATOM 1063 CB ILE A 65 -4.121 -7.167 -3.374 1.00 0.00 C ATOM 1064 CG1 ILE A 65 -4.580 -5.771 -2.933 1.00 0.00 C ATOM 1065 CG2 ILE A 65 -5.212 -7.869 -4.169 1.00 0.00 C ATOM 1066 CD1 ILE A 65 -5.493 -5.774 -1.719 1.00 0.00 C ATOM 0 H ILE A 65 -2.701 -6.297 -1.529 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.631 -8.357 -1.672 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.250 -7.049 -4.018 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.702 -5.164 -2.712 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.099 -5.291 -3.763 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.487 -7.257 -5.028 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.846 -8.836 -4.514 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.086 -8.018 -3.535 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.773 -4.750 -1.471 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.390 -6.352 -1.940 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.972 -6.222 -0.873 1.00 0.00 H new ATOM 1078 N GLU A 66 -1.604 -8.909 -2.833 1.00 0.00 N ATOM 1079 CA GLU A 66 -0.662 -9.935 -3.225 1.00 0.00 C ATOM 1080 C GLU A 66 -0.341 -10.800 -2.015 1.00 0.00 C ATOM 1081 O GLU A 66 0.074 -11.951 -2.153 1.00 0.00 O ATOM 1082 CB GLU A 66 0.616 -9.308 -3.787 1.00 0.00 C ATOM 1083 CG GLU A 66 0.642 -9.237 -5.305 1.00 0.00 C ATOM 1084 CD GLU A 66 2.031 -8.972 -5.852 1.00 0.00 C ATOM 1085 OE1 GLU A 66 2.500 -7.819 -5.747 1.00 0.00 O ATOM 1086 OE2 GLU A 66 2.649 -9.916 -6.388 1.00 0.00 O ATOM 0 H GLU A 66 -1.200 -7.976 -2.746 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.104 -10.551 -4.008 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.725 -8.302 -3.383 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.475 -9.885 -3.444 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.267 -10.174 -5.715 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.033 -8.449 -5.640 1.00 0.00 H new ATOM 1093 N TYR A 67 -0.557 -10.244 -0.816 1.00 0.00 N ATOM 1094 CA TYR A 67 -0.306 -10.988 0.413 1.00 0.00 C ATOM 1095 C TYR A 67 -1.518 -11.845 0.760 1.00 0.00 C ATOM 1096 O TYR A 67 -1.388 -12.933 1.322 1.00 0.00 O ATOM 1097 CB TYR A 67 0.006 -10.037 1.570 1.00 0.00 C ATOM 1098 CG TYR A 67 0.760 -10.699 2.701 1.00 0.00 C ATOM 1099 CD1 TYR A 67 0.167 -11.692 3.471 1.00 0.00 C ATOM 1100 CD2 TYR A 67 2.068 -10.336 2.995 1.00 0.00 C ATOM 1101 CE1 TYR A 67 0.854 -12.303 4.502 1.00 0.00 C ATOM 1102 CE2 TYR A 67 2.763 -10.942 4.025 1.00 0.00 C ATOM 1103 CZ TYR A 67 2.152 -11.924 4.775 1.00 0.00 C ATOM 1104 OH TYR A 67 2.841 -12.531 5.801 1.00 0.00 O ATOM 0 H TYR A 67 -0.901 -9.294 -0.677 1.00 0.00 H new ATOM 0 HA TYR A 67 0.558 -11.633 0.253 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.592 -9.198 1.194 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.927 -9.627 1.956 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.849 -11.991 3.260 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.550 -9.567 2.409 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.378 -13.073 5.091 1.00 0.00 H new ATOM 0 HE2 TYR A 67 3.779 -10.648 4.241 1.00 0.00 H new ATOM 0 HH TYR A 67 3.742 -12.150 5.860 1.00 0.00 H new ATOM 1114 N ARG A 68 -2.696 -11.342 0.411 1.00 0.00 N ATOM 1115 CA ARG A 68 -3.944 -12.044 0.669 1.00 0.00 C ATOM 1116 C ARG A 68 -4.101 -13.223 -0.284 1.00 0.00 C ATOM 1117 O ARG A 68 -4.553 -14.297 0.109 1.00 0.00 O ATOM 1118 CB ARG A 68 -5.123 -11.077 0.518 1.00 0.00 C ATOM 1119 CG ARG A 68 -5.865 -10.803 1.813 1.00 0.00 C ATOM 1120 CD ARG A 68 -7.016 -11.774 2.013 1.00 0.00 C ATOM 1121 NE ARG A 68 -7.887 -11.841 0.841 1.00 0.00 N ATOM 1122 CZ ARG A 68 -8.757 -12.822 0.619 1.00 0.00 C ATOM 1123 NH1 ARG A 68 -8.878 -13.822 1.485 1.00 0.00 N ATOM 1124 NH2 ARG A 68 -9.509 -12.807 -0.474 1.00 0.00 N ATOM 0 H ARG A 68 -2.811 -10.442 -0.055 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.927 -12.429 1.689 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.756 -10.133 0.114 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.823 -11.485 -0.211 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.174 -10.879 2.652 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.246 -9.782 1.806 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.620 -12.767 2.227 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.600 -11.470 2.882 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.824 -11.091 0.153 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.302 -13.841 2.326 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.547 -14.571 1.309 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.420 -12.043 -1.144 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.176 -13.559 -0.644 1.00 0.00 H new ATOM 1138 N GLU A 69 -3.712 -13.014 -1.536 1.00 0.00 N ATOM 1139 CA GLU A 69 -3.795 -14.060 -2.549 1.00 0.00 C ATOM 1140 C GLU A 69 -2.640 -15.048 -2.400 1.00 0.00 C ATOM 1141 O GLU A 69 -2.662 -16.133 -2.976 1.00 0.00 O ATOM 1142 CB GLU A 69 -3.786 -13.446 -3.951 1.00 0.00 C ATOM 1143 CG GLU A 69 -5.092 -13.634 -4.705 1.00 0.00 C ATOM 1144 CD GLU A 69 -5.349 -12.529 -5.710 1.00 0.00 C ATOM 1145 OE1 GLU A 69 -4.379 -11.848 -6.105 1.00 0.00 O ATOM 1146 OE2 GLU A 69 -6.520 -12.343 -6.102 1.00 0.00 O ATOM 0 H GLU A 69 -3.335 -12.129 -1.875 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.732 -14.599 -2.407 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.573 -12.380 -3.871 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.975 -13.891 -4.528 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.074 -14.593 -5.222 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.916 -13.671 -3.993 1.00 0.00 H new ATOM 1153 N LYS A 70 -1.640 -14.667 -1.610 1.00 0.00 N ATOM 1154 CA LYS A 70 -0.488 -15.512 -1.364 1.00 0.00 C ATOM 1155 C LYS A 70 -0.747 -16.377 -0.142 1.00 0.00 C ATOM 1156 O LYS A 70 -0.499 -17.577 -0.157 1.00 0.00 O ATOM 1157 CB LYS A 70 0.765 -14.658 -1.155 1.00 0.00 C ATOM 1158 CG LYS A 70 1.979 -15.455 -0.707 1.00 0.00 C ATOM 1159 CD LYS A 70 3.276 -14.761 -1.089 1.00 0.00 C ATOM 1160 CE LYS A 70 3.500 -13.504 -0.263 1.00 0.00 C ATOM 1161 NZ LYS A 70 4.242 -12.462 -1.025 1.00 0.00 N ATOM 0 H LYS A 70 -1.610 -13.769 -1.128 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.324 -16.154 -2.230 1.00 0.00 H new ATOM 0 HB2 LYS A 70 1.003 -14.143 -2.086 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.551 -13.890 -0.412 1.00 0.00 H new ATOM 0 HG2 LYS A 70 1.945 -15.594 0.374 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.950 -16.447 -1.158 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.112 -15.446 -0.946 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.253 -14.503 -2.148 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.538 -13.104 0.056 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.055 -13.757 0.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.374 -11.622 -0.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.171 -12.834 -1.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.700 -12.201 -1.874 1.00 0.00 H new ATOM 1175 N GLN A 71 -1.265 -15.753 0.911 1.00 0.00 N ATOM 1176 CA GLN A 71 -1.576 -16.469 2.138 1.00 0.00 C ATOM 1177 C GLN A 71 -2.860 -17.259 1.974 1.00 0.00 C ATOM 1178 O GLN A 71 -3.044 -18.292 2.607 1.00 0.00 O ATOM 1179 CB GLN A 71 -1.699 -15.497 3.314 1.00 0.00 C ATOM 1180 CG GLN A 71 -1.856 -16.188 4.660 1.00 0.00 C ATOM 1181 CD GLN A 71 -3.146 -15.812 5.364 1.00 0.00 C ATOM 1182 OE1 GLN A 71 -4.232 -15.912 4.791 1.00 0.00 O ATOM 1183 NE2 GLN A 71 -3.032 -15.375 6.612 1.00 0.00 N ATOM 0 H GLN A 71 -1.477 -14.756 0.937 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.761 -17.162 2.348 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.815 -14.860 3.343 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -2.556 -14.845 3.147 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.827 -17.268 4.515 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.010 -15.930 5.297 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.112 -15.308 7.047 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.865 -15.106 7.136 1.00 0.00 H new ATOM 1192 N LYS A 72 -3.743 -16.787 1.108 1.00 0.00 N ATOM 1193 CA LYS A 72 -4.989 -17.494 0.874 1.00 0.00 C ATOM 1194 C LYS A 72 -4.775 -18.600 -0.146 1.00 0.00 C ATOM 1195 O LYS A 72 -5.474 -19.608 -0.141 1.00 0.00 O ATOM 1196 CB LYS A 72 -6.090 -16.538 0.414 1.00 0.00 C ATOM 1197 CG LYS A 72 -7.486 -17.132 0.499 1.00 0.00 C ATOM 1198 CD LYS A 72 -7.897 -17.782 -0.812 1.00 0.00 C ATOM 1199 CE LYS A 72 -9.408 -17.897 -0.929 1.00 0.00 C ATOM 1200 NZ LYS A 72 -9.897 -17.463 -2.267 1.00 0.00 N ATOM 0 H LYS A 72 -3.623 -15.932 0.565 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.313 -17.940 1.814 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.051 -15.634 1.021 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.893 -16.239 -0.616 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.519 -17.872 1.299 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.200 -16.350 0.758 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.510 -17.197 -1.646 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.449 -18.773 -0.884 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.708 -18.930 -0.750 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.879 -17.290 -0.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.932 -17.557 -2.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.633 -16.470 -2.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.468 -18.059 -3.004 1.00 0.00 H new ATOM 1214 N SER A 73 -3.778 -18.421 -0.998 1.00 0.00 N ATOM 1215 CA SER A 73 -3.450 -19.427 -1.989 1.00 0.00 C ATOM 1216 C SER A 73 -2.429 -20.384 -1.398 1.00 0.00 C ATOM 1217 O SER A 73 -2.441 -21.582 -1.682 1.00 0.00 O ATOM 1218 CB SER A 73 -2.896 -18.780 -3.253 1.00 0.00 C ATOM 1219 OG SER A 73 -2.631 -19.749 -4.252 1.00 0.00 O ATOM 0 H SER A 73 -3.185 -17.591 -1.022 1.00 0.00 H new ATOM 0 HA SER A 73 -4.354 -19.972 -2.261 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.609 -18.049 -3.633 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.980 -18.239 -3.016 1.00 0.00 H new ATOM 0 HG SER A 73 -2.278 -19.306 -5.052 1.00 0.00 H new ATOM 1225 N GLU A 74 -1.547 -19.839 -0.560 1.00 0.00 N ATOM 1226 CA GLU A 74 -0.518 -20.643 0.088 1.00 0.00 C ATOM 1227 C GLU A 74 -1.039 -21.272 1.379 1.00 0.00 C ATOM 1228 O GLU A 74 -0.764 -22.440 1.655 1.00 0.00 O ATOM 1229 CB GLU A 74 0.725 -19.800 0.385 1.00 0.00 C ATOM 1230 CG GLU A 74 1.930 -20.623 0.810 1.00 0.00 C ATOM 1231 CD GLU A 74 2.906 -20.856 -0.326 1.00 0.00 C ATOM 1232 OE1 GLU A 74 3.500 -19.870 -0.810 1.00 0.00 O ATOM 1233 OE2 GLU A 74 3.075 -22.025 -0.733 1.00 0.00 O ATOM 0 H GLU A 74 -1.526 -18.849 -0.317 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.246 -21.443 -0.601 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.984 -19.224 -0.503 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.489 -19.084 1.172 1.00 0.00 H new ATOM 0 HG2 GLU A 74 2.443 -20.115 1.626 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.591 -21.584 1.196 1.00 0.00 H new ATOM 1240 N ARG A 75 -1.798 -20.509 2.169 1.00 0.00 N ATOM 1241 CA ARG A 75 -2.344 -21.037 3.415 1.00 0.00 C ATOM 1242 C ARG A 75 -3.715 -21.644 3.172 1.00 0.00 C ATOM 1243 O ARG A 75 -4.107 -22.607 3.833 1.00 0.00 O ATOM 1244 CB ARG A 75 -2.431 -19.949 4.489 1.00 0.00 C ATOM 1245 CG ARG A 75 -2.324 -20.485 5.907 1.00 0.00 C ATOM 1246 CD ARG A 75 -0.987 -21.166 6.149 1.00 0.00 C ATOM 1247 NE ARG A 75 -0.576 -21.080 7.549 1.00 0.00 N ATOM 1248 CZ ARG A 75 0.311 -21.896 8.115 1.00 0.00 C ATOM 1249 NH1 ARG A 75 0.887 -22.858 7.404 1.00 0.00 N ATOM 1250 NH2 ARG A 75 0.625 -21.748 9.394 1.00 0.00 N ATOM 0 H ARG A 75 -2.044 -19.539 1.970 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.669 -21.813 3.775 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.636 -19.222 4.323 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.377 -19.418 4.381 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.450 -19.667 6.616 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.132 -21.193 6.091 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.055 -22.213 5.854 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.226 -20.706 5.519 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.994 -20.351 8.127 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.651 -22.975 6.419 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.566 -23.480 7.843 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.187 -21.009 9.944 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.304 -22.373 9.828 1.00 0.00 H new ATOM 1264 N ALA A 76 -4.443 -21.076 2.216 1.00 0.00 N ATOM 1265 CA ALA A 76 -5.776 -21.571 1.887 1.00 0.00 C ATOM 1266 C ALA A 76 -5.802 -22.198 0.496 1.00 0.00 C ATOM 1267 O ALA A 76 -6.901 -22.582 0.042 1.00 0.00 O ATOM 1268 CB ALA A 76 -6.800 -20.449 1.990 1.00 0.00 C ATOM 1269 OXT ALA A 76 -4.725 -22.298 -0.127 1.00 0.00 O ATOM 0 H ALA A 76 -4.136 -20.279 1.659 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.037 -22.346 2.608 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.789 -20.835 1.742 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.809 -20.057 3.007 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.537 -19.651 1.295 1.00 0.00 H new