USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 541 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 27 ASN : amide:sc= -1.3 K(o=-1.3,f=-1.9!) USER MOD Set 1.2: A 29 SER OG : rot 180:sc= 0.0305 USER MOD Single : A 3 ASN :FLIP amide:sc= 0 F(o=-0.97,f=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.00729 USER MOD Single : A 10 GLN : amide:sc= -0.387 X(o=-0.39,f=-0.36) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.51) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 145:sc= -0.415 (180deg=-1.42) USER MOD Single : A 17 THR OG1 : rot 180:sc=-0.00974 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 161:sc= -0.0318 (180deg=-0.223) USER MOD Single : A 42 SER OG : rot 7:sc= 0.334! USER MOD Single : A 50 ASN : amide:sc= -0.868 X(o=-0.87,f=-1.1) USER MOD Single : A 51 LYS NZ :NH3+ -170:sc=-0.00148 (180deg=-0.148) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -150:sc= -0.253 (180deg=-1.33!) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 5.470 -18.038 -17.059 1.00 74.24 N ATOM 2 CA PRO A 1 5.945 -16.678 -16.787 1.00 70.54 C ATOM 3 C PRO A 1 7.458 -16.554 -16.928 1.00 23.52 C ATOM 4 O PRO A 1 8.131 -17.495 -17.350 1.00 21.22 O ATOM 5 CB PRO A 1 5.521 -16.438 -15.336 1.00 61.22 C ATOM 6 CG PRO A 1 5.436 -17.799 -14.736 1.00 71.12 C ATOM 7 CD PRO A 1 4.986 -18.712 -15.843 1.00 35.11 C ATOM 0 H2 PRO A 1 6.227 -18.585 -17.470 1.00 74.24 H new ATOM 0 H3 PRO A 1 4.719 -18.003 -17.748 1.00 74.24 H new ATOM 0 HA PRO A 1 5.534 -15.954 -17.491 1.00 70.54 H new ATOM 0 HB2 PRO A 1 6.246 -15.818 -14.809 1.00 61.22 H new ATOM 0 HB3 PRO A 1 4.562 -15.922 -15.284 1.00 61.22 H new ATOM 0 HG2 PRO A 1 6.402 -18.112 -14.340 1.00 71.12 H new ATOM 0 HG3 PRO A 1 4.731 -17.816 -13.905 1.00 71.12 H new ATOM 0 HD2 PRO A 1 5.413 -19.710 -15.740 1.00 35.11 H new ATOM 0 HD3 PRO A 1 3.902 -18.828 -15.852 1.00 35.11 H new ATOM 15 N ARG A 2 7.987 -15.389 -16.571 1.00 45.31 N ATOM 16 CA ARG A 2 9.422 -15.142 -16.658 1.00 73.13 C ATOM 17 C ARG A 2 10.139 -15.657 -15.414 1.00 34.33 C ATOM 18 O ARG A 2 11.312 -16.023 -15.468 1.00 71.00 O ATOM 19 CB ARG A 2 9.694 -13.647 -16.835 1.00 30.14 C ATOM 20 CG ARG A 2 9.734 -13.203 -18.288 1.00 1.45 C ATOM 21 CD ARG A 2 8.335 -13.063 -18.866 1.00 52.41 C ATOM 22 NE ARG A 2 8.359 -12.600 -20.251 1.00 70.22 N ATOM 23 CZ ARG A 2 8.655 -13.384 -21.282 1.00 50.54 C ATOM 24 NH1 ARG A 2 8.950 -14.661 -21.086 1.00 31.15 N ATOM 25 NH2 ARG A 2 8.656 -12.889 -22.514 1.00 31.22 N ATOM 0 H ARG A 2 7.444 -14.601 -16.219 1.00 45.31 H new ATOM 0 HA ARG A 2 9.806 -15.679 -17.525 1.00 73.13 H new ATOM 0 HB2 ARG A 2 8.922 -13.082 -16.312 1.00 30.14 H new ATOM 0 HB3 ARG A 2 10.645 -13.401 -16.362 1.00 30.14 H new ATOM 0 HG2 ARG A 2 10.257 -12.250 -18.364 1.00 1.45 H new ATOM 0 HG3 ARG A 2 10.301 -13.926 -18.875 1.00 1.45 H new ATOM 0 HD2 ARG A 2 7.823 -14.024 -18.814 1.00 52.41 H new ATOM 0 HD3 ARG A 2 7.761 -12.363 -18.260 1.00 52.41 H new ATOM 0 HE ARG A 2 8.137 -11.622 -20.437 1.00 70.22 H new ATOM 0 HH11 ARG A 2 8.950 -15.045 -20.141 1.00 31.15 H new ATOM 0 HH12 ARG A 2 9.177 -15.260 -21.880 1.00 31.15 H new ATOM 0 HH21 ARG A 2 8.430 -11.907 -22.669 1.00 31.22 H new ATOM 0 HH22 ARG A 2 8.883 -13.491 -23.305 1.00 31.22 H new ATOM 39 N ASN A 3 9.424 -15.682 -14.293 1.00 61.23 N ATOM 40 CA ASN A 3 9.992 -16.151 -13.035 1.00 23.33 C ATOM 41 C ASN A 3 9.375 -17.484 -12.622 1.00 70.25 C ATOM 42 O ASN A 3 8.329 -17.523 -11.974 1.00 31.14 O ATOM 43 CB ASN A 3 9.773 -15.112 -11.933 1.00 75.32 C ATOM 44 CG ASN A 3 10.836 -14.031 -11.938 1.00 20.34 C ATOM 45 OD1 ASN A 3 11.077 -13.444 -13.104 1.00 21.14 O flip ATOM 46 ND2 ASN A 3 11.433 -13.728 -10.905 1.00 4.22 N flip ATOM 0 H ASN A 3 8.451 -15.383 -14.231 1.00 61.23 H new ATOM 0 HA ASN A 3 11.062 -16.296 -13.181 1.00 23.33 H new ATOM 0 HB2 ASN A 3 8.792 -14.654 -12.059 1.00 75.32 H new ATOM 0 HB3 ASN A 3 9.770 -15.610 -10.963 1.00 75.32 H new ATOM 0 HD21 ASN A 3 11.215 -14.206 -10.031 1.00 4.22 H new ATOM 0 HD22 ASN A 3 12.146 -12.999 -10.923 1.00 4.22 H new ATOM 53 N THR A 4 10.030 -18.577 -13.003 1.00 42.41 N ATOM 54 CA THR A 4 9.546 -19.911 -12.674 1.00 65.52 C ATOM 55 C THR A 4 9.596 -20.159 -11.171 1.00 33.21 C ATOM 56 O THR A 4 8.761 -20.879 -10.623 1.00 73.43 O ATOM 57 CB THR A 4 10.370 -20.999 -13.389 1.00 74.44 C ATOM 58 OG1 THR A 4 10.696 -20.573 -14.717 1.00 23.11 O ATOM 59 CG2 THR A 4 9.600 -22.310 -13.447 1.00 73.13 C ATOM 0 H THR A 4 10.897 -18.564 -13.540 1.00 42.41 H new ATOM 0 HA THR A 4 8.512 -19.965 -13.014 1.00 65.52 H new ATOM 0 HB THR A 4 11.288 -21.159 -12.823 1.00 74.44 H new ATOM 0 HG1 THR A 4 11.221 -21.269 -15.164 1.00 23.11 H new ATOM 0 HG21 THR A 4 10.202 -23.063 -13.956 1.00 73.13 H new ATOM 0 HG22 THR A 4 9.378 -22.647 -12.434 1.00 73.13 H new ATOM 0 HG23 THR A 4 8.668 -22.161 -13.992 1.00 73.13 H new ATOM 67 N ARG A 5 10.578 -19.558 -10.509 1.00 3.54 N ATOM 68 CA ARG A 5 10.736 -19.714 -9.068 1.00 1.33 C ATOM 69 C ARG A 5 9.658 -18.938 -8.316 1.00 25.35 C ATOM 70 O ARG A 5 9.150 -19.397 -7.293 1.00 70.34 O ATOM 71 CB ARG A 5 12.122 -19.236 -8.630 1.00 61.42 C ATOM 72 CG ARG A 5 13.185 -20.321 -8.686 1.00 24.13 C ATOM 73 CD ARG A 5 14.338 -20.021 -7.740 1.00 15.33 C ATOM 74 NE ARG A 5 15.098 -21.222 -7.405 1.00 43.50 N ATOM 75 CZ ARG A 5 16.342 -21.197 -6.938 1.00 35.42 C ATOM 76 NH1 ARG A 5 16.961 -20.040 -6.751 1.00 34.04 N ATOM 77 NH2 ARG A 5 16.968 -22.333 -6.656 1.00 51.23 N ATOM 0 H ARG A 5 11.277 -18.958 -10.947 1.00 3.54 H new ATOM 0 HA ARG A 5 10.632 -20.772 -8.829 1.00 1.33 H new ATOM 0 HB2 ARG A 5 12.429 -18.405 -9.266 1.00 61.42 H new ATOM 0 HB3 ARG A 5 12.060 -18.852 -7.612 1.00 61.42 H new ATOM 0 HG2 ARG A 5 12.740 -21.281 -8.426 1.00 24.13 H new ATOM 0 HG3 ARG A 5 13.562 -20.410 -9.705 1.00 24.13 H new ATOM 0 HD2 ARG A 5 15.002 -19.288 -8.199 1.00 15.33 H new ATOM 0 HD3 ARG A 5 13.950 -19.571 -6.826 1.00 15.33 H new ATOM 0 HE ARG A 5 14.650 -22.129 -7.536 1.00 43.50 H new ATOM 0 HH11 ARG A 5 16.483 -19.165 -6.966 1.00 34.04 H new ATOM 0 HH12 ARG A 5 17.916 -20.025 -6.392 1.00 34.04 H new ATOM 0 HH21 ARG A 5 16.494 -23.225 -6.798 1.00 51.23 H new ATOM 0 HH22 ARG A 5 17.923 -22.314 -6.298 1.00 51.23 H new ATOM 91 N GLU A 6 9.316 -17.761 -8.829 1.00 44.22 N ATOM 92 CA GLU A 6 8.300 -16.922 -8.205 1.00 4.24 C ATOM 93 C GLU A 6 8.741 -16.479 -6.812 1.00 42.25 C ATOM 94 O GLU A 6 9.630 -17.080 -6.210 1.00 25.11 O ATOM 95 CB GLU A 6 6.971 -17.674 -8.115 1.00 53.44 C ATOM 96 CG GLU A 6 6.552 -18.326 -9.422 1.00 32.50 C ATOM 97 CD GLU A 6 5.061 -18.595 -9.488 1.00 71.21 C ATOM 98 OE1 GLU A 6 4.437 -18.742 -8.416 1.00 61.31 O ATOM 99 OE2 GLU A 6 4.518 -18.659 -10.611 1.00 1.32 O ATOM 0 H GLU A 6 9.727 -17.367 -9.675 1.00 44.22 H new ATOM 0 HA GLU A 6 8.167 -16.035 -8.825 1.00 4.24 H new ATOM 0 HB2 GLU A 6 7.048 -18.441 -7.344 1.00 53.44 H new ATOM 0 HB3 GLU A 6 6.192 -16.981 -7.798 1.00 53.44 H new ATOM 0 HG2 GLU A 6 6.838 -17.682 -10.253 1.00 32.50 H new ATOM 0 HG3 GLU A 6 7.093 -19.264 -9.545 1.00 32.50 H new ATOM 106 N VAL A 7 8.113 -15.422 -6.307 1.00 54.05 N ATOM 107 CA VAL A 7 8.438 -14.898 -4.987 1.00 5.34 C ATOM 108 C VAL A 7 8.437 -16.006 -3.940 1.00 4.02 C ATOM 109 O VAL A 7 9.183 -15.951 -2.961 1.00 71.55 O ATOM 110 CB VAL A 7 7.446 -13.800 -4.558 1.00 22.52 C ATOM 111 CG1 VAL A 7 6.057 -14.386 -4.358 1.00 14.34 C ATOM 112 CG2 VAL A 7 7.930 -13.110 -3.292 1.00 24.13 C ATOM 0 H VAL A 7 7.376 -14.912 -6.793 1.00 54.05 H new ATOM 0 HA VAL A 7 9.437 -14.468 -5.055 1.00 5.34 H new ATOM 0 HB VAL A 7 7.390 -13.054 -5.351 1.00 22.52 H new ATOM 0 HG11 VAL A 7 5.369 -13.597 -4.055 1.00 14.34 H new ATOM 0 HG12 VAL A 7 5.712 -14.830 -5.292 1.00 14.34 H new ATOM 0 HG13 VAL A 7 6.093 -15.152 -3.584 1.00 14.34 H new ATOM 0 HG21 VAL A 7 7.217 -12.337 -3.003 1.00 24.13 H new ATOM 0 HG22 VAL A 7 8.017 -13.842 -2.489 1.00 24.13 H new ATOM 0 HG23 VAL A 7 8.904 -12.655 -3.475 1.00 24.13 H new ATOM 122 N PHE A 8 7.596 -17.012 -4.152 1.00 75.02 N ATOM 123 CA PHE A 8 7.497 -18.134 -3.226 1.00 75.45 C ATOM 124 C PHE A 8 8.872 -18.732 -2.947 1.00 64.13 C ATOM 125 O PHE A 8 9.122 -19.264 -1.866 1.00 2.42 O ATOM 126 CB PHE A 8 6.566 -19.209 -3.793 1.00 24.44 C ATOM 127 CG PHE A 8 6.245 -20.301 -2.812 1.00 52.21 C ATOM 128 CD1 PHE A 8 6.569 -21.619 -3.091 1.00 3.51 C ATOM 129 CD2 PHE A 8 5.617 -20.009 -1.612 1.00 3.23 C ATOM 130 CE1 PHE A 8 6.275 -22.625 -2.191 1.00 20.34 C ATOM 131 CE2 PHE A 8 5.321 -21.011 -0.707 1.00 60.14 C ATOM 132 CZ PHE A 8 5.649 -22.321 -0.998 1.00 21.13 C ATOM 0 H PHE A 8 6.973 -17.074 -4.957 1.00 75.02 H new ATOM 0 HA PHE A 8 7.085 -17.763 -2.288 1.00 75.45 H new ATOM 0 HB2 PHE A 8 5.638 -18.740 -4.119 1.00 24.44 H new ATOM 0 HB3 PHE A 8 7.028 -19.649 -4.677 1.00 24.44 H new ATOM 0 HD1 PHE A 8 7.057 -21.863 -4.023 1.00 3.51 H new ATOM 0 HD2 PHE A 8 5.356 -18.987 -1.381 1.00 3.23 H new ATOM 0 HE1 PHE A 8 6.534 -23.648 -2.420 1.00 20.34 H new ATOM 0 HE2 PHE A 8 4.834 -20.770 0.226 1.00 60.14 H new ATOM 0 HZ PHE A 8 5.416 -23.106 -0.294 1.00 21.13 H new ATOM 142 N ALA A 9 9.761 -18.641 -3.931 1.00 62.12 N ATOM 143 CA ALA A 9 11.112 -19.171 -3.792 1.00 11.11 C ATOM 144 C ALA A 9 12.038 -18.149 -3.142 1.00 44.44 C ATOM 145 O ALA A 9 12.985 -18.511 -2.445 1.00 22.41 O ATOM 146 CB ALA A 9 11.656 -19.592 -5.149 1.00 21.21 C ATOM 0 H ALA A 9 9.570 -18.205 -4.833 1.00 62.12 H new ATOM 0 HA ALA A 9 11.068 -20.046 -3.144 1.00 11.11 H new ATOM 0 HB1 ALA A 9 12.665 -19.986 -5.030 1.00 21.21 H new ATOM 0 HB2 ALA A 9 11.014 -20.363 -5.575 1.00 21.21 H new ATOM 0 HB3 ALA A 9 11.679 -18.730 -5.815 1.00 21.21 H new ATOM 152 N GLN A 10 11.759 -16.871 -3.377 1.00 41.43 N ATOM 153 CA GLN A 10 12.569 -15.796 -2.816 1.00 24.45 C ATOM 154 C GLN A 10 12.557 -15.845 -1.291 1.00 71.12 C ATOM 155 O GLN A 10 13.590 -15.669 -0.646 1.00 1.34 O ATOM 156 CB GLN A 10 12.059 -14.438 -3.298 1.00 53.34 C ATOM 157 CG GLN A 10 12.530 -14.072 -4.697 1.00 23.44 C ATOM 158 CD GLN A 10 14.039 -14.115 -4.833 1.00 65.12 C ATOM 159 OE1 GLN A 10 14.575 -14.769 -5.729 1.00 1.32 O ATOM 160 NE2 GLN A 10 14.735 -13.416 -3.943 1.00 73.44 N ATOM 0 H GLN A 10 10.978 -16.555 -3.952 1.00 41.43 H new ATOM 0 HA GLN A 10 13.595 -15.932 -3.158 1.00 24.45 H new ATOM 0 HB2 GLN A 10 10.969 -14.441 -3.280 1.00 53.34 H new ATOM 0 HB3 GLN A 10 12.387 -13.668 -2.600 1.00 53.34 H new ATOM 0 HG2 GLN A 10 12.084 -14.758 -5.418 1.00 23.44 H new ATOM 0 HG3 GLN A 10 12.175 -13.072 -4.946 1.00 23.44 H new ATOM 0 HE21 GLN A 10 14.250 -12.888 -3.217 1.00 73.44 H new ATOM 0 HE22 GLN A 10 15.754 -13.407 -3.986 1.00 73.44 H new ATOM 169 N VAL A 11 11.380 -16.085 -0.721 1.00 62.33 N ATOM 170 CA VAL A 11 11.233 -16.158 0.727 1.00 0.04 C ATOM 171 C VAL A 11 12.113 -17.256 1.315 1.00 52.23 C ATOM 172 O VAL A 11 12.494 -17.202 2.484 1.00 22.52 O ATOM 173 CB VAL A 11 9.769 -16.418 1.131 1.00 43.55 C ATOM 174 CG1 VAL A 11 8.865 -15.317 0.597 1.00 61.14 C ATOM 175 CG2 VAL A 11 9.314 -17.781 0.633 1.00 30.22 C ATOM 0 H VAL A 11 10.515 -16.232 -1.241 1.00 62.33 H new ATOM 0 HA VAL A 11 11.546 -15.193 1.125 1.00 0.04 H new ATOM 0 HB VAL A 11 9.703 -16.414 2.219 1.00 43.55 H new ATOM 0 HG11 VAL A 11 7.835 -15.517 0.892 1.00 61.14 H new ATOM 0 HG12 VAL A 11 9.180 -14.357 1.007 1.00 61.14 H new ATOM 0 HG13 VAL A 11 8.932 -15.287 -0.491 1.00 61.14 H new ATOM 0 HG21 VAL A 11 8.278 -17.948 0.927 1.00 30.22 H new ATOM 0 HG22 VAL A 11 9.393 -17.816 -0.454 1.00 30.22 H new ATOM 0 HG23 VAL A 11 9.944 -18.556 1.068 1.00 30.22 H new ATOM 185 N LYS A 12 12.433 -18.252 0.495 1.00 14.24 N ATOM 186 CA LYS A 12 13.269 -19.363 0.932 1.00 65.24 C ATOM 187 C LYS A 12 14.598 -18.859 1.487 1.00 35.02 C ATOM 188 O LYS A 12 15.226 -19.521 2.313 1.00 14.31 O ATOM 189 CB LYS A 12 13.523 -20.325 -0.232 1.00 3.42 C ATOM 190 CG LYS A 12 14.189 -21.624 0.187 1.00 33.11 C ATOM 191 CD LYS A 12 14.752 -22.373 -1.009 1.00 73.21 C ATOM 192 CE LYS A 12 13.664 -23.134 -1.753 1.00 4.44 C ATOM 193 NZ LYS A 12 14.130 -23.603 -3.087 1.00 75.21 N ATOM 0 H LYS A 12 12.126 -18.312 -0.476 1.00 14.24 H new ATOM 0 HA LYS A 12 12.741 -19.892 1.725 1.00 65.24 H new ATOM 0 HB2 LYS A 12 12.574 -20.553 -0.718 1.00 3.42 H new ATOM 0 HB3 LYS A 12 14.149 -19.828 -0.973 1.00 3.42 H new ATOM 0 HG2 LYS A 12 14.991 -21.411 0.894 1.00 33.11 H new ATOM 0 HG3 LYS A 12 13.466 -22.254 0.705 1.00 33.11 H new ATOM 0 HD2 LYS A 12 15.233 -21.668 -1.687 1.00 73.21 H new ATOM 0 HD3 LYS A 12 15.521 -23.069 -0.674 1.00 73.21 H new ATOM 0 HE2 LYS A 12 13.347 -23.990 -1.157 1.00 4.44 H new ATOM 0 HE3 LYS A 12 12.792 -22.492 -1.878 1.00 4.44 H new ATOM 0 HZ1 LYS A 12 13.361 -24.117 -3.563 1.00 75.21 H new ATOM 0 HZ2 LYS A 12 14.409 -22.784 -3.665 1.00 75.21 H new ATOM 0 HZ3 LYS A 12 14.946 -24.236 -2.967 1.00 75.21 H new ATOM 207 N GLN A 13 15.017 -17.684 1.030 1.00 44.05 N ATOM 208 CA GLN A 13 16.271 -17.092 1.482 1.00 15.14 C ATOM 209 C GLN A 13 16.304 -16.986 3.004 1.00 62.15 C ATOM 210 O GLN A 13 17.373 -17.000 3.613 1.00 45.34 O ATOM 211 CB GLN A 13 16.460 -15.708 0.859 1.00 51.02 C ATOM 212 CG GLN A 13 15.506 -14.658 1.406 1.00 21.40 C ATOM 213 CD GLN A 13 15.355 -13.468 0.480 1.00 52.22 C ATOM 214 OE1 GLN A 13 14.258 -13.173 0.003 1.00 4.21 O ATOM 215 NE2 GLN A 13 16.458 -12.776 0.220 1.00 52.32 N ATOM 0 H GLN A 13 14.507 -17.123 0.347 1.00 44.05 H new ATOM 0 HA GLN A 13 17.087 -17.741 1.162 1.00 15.14 H new ATOM 0 HB2 GLN A 13 17.485 -15.379 1.029 1.00 51.02 H new ATOM 0 HB3 GLN A 13 16.324 -15.783 -0.220 1.00 51.02 H new ATOM 0 HG2 GLN A 13 14.529 -15.111 1.571 1.00 21.40 H new ATOM 0 HG3 GLN A 13 15.866 -14.315 2.376 1.00 21.40 H new ATOM 0 HE21 GLN A 13 17.346 -13.056 0.637 1.00 52.32 H new ATOM 0 HE22 GLN A 13 16.417 -11.964 -0.397 1.00 52.32 H new ATOM 224 N MET A 14 15.127 -16.880 3.611 1.00 73.44 N ATOM 225 CA MET A 14 15.022 -16.773 5.061 1.00 22.02 C ATOM 226 C MET A 14 13.792 -17.515 5.574 1.00 22.30 C ATOM 227 O MET A 14 13.260 -17.194 6.637 1.00 61.40 O ATOM 228 CB MET A 14 14.958 -15.304 5.482 1.00 52.40 C ATOM 229 CG MET A 14 16.310 -14.608 5.471 1.00 75.45 C ATOM 230 SD MET A 14 16.211 -12.889 6.005 1.00 71.12 S ATOM 231 CE MET A 14 15.969 -12.060 4.436 1.00 74.35 C ATOM 0 H MET A 14 14.232 -16.866 3.121 1.00 73.44 H new ATOM 0 HA MET A 14 15.909 -17.231 5.499 1.00 22.02 H new ATOM 0 HB2 MET A 14 14.280 -14.773 4.814 1.00 52.40 H new ATOM 0 HB3 MET A 14 14.534 -15.240 6.484 1.00 52.40 H new ATOM 0 HG2 MET A 14 16.997 -15.148 6.122 1.00 75.45 H new ATOM 0 HG3 MET A 14 16.727 -14.648 4.465 1.00 75.45 H new ATOM 0 HE1 MET A 14 15.889 -10.985 4.601 1.00 74.35 H new ATOM 0 HE2 MET A 14 16.816 -12.265 3.782 1.00 74.35 H new ATOM 0 HE3 MET A 14 15.054 -12.424 3.969 1.00 74.35 H new ATOM 241 N TYR A 15 13.345 -18.508 4.812 1.00 5.44 N ATOM 242 CA TYR A 15 12.176 -19.293 5.189 1.00 63.32 C ATOM 243 C TYR A 15 12.551 -20.755 5.413 1.00 63.13 C ATOM 244 O TYR A 15 11.898 -21.467 6.176 1.00 0.42 O ATOM 245 CB TYR A 15 11.098 -19.192 4.109 1.00 40.53 C ATOM 246 CG TYR A 15 9.777 -19.807 4.512 1.00 40.30 C ATOM 247 CD1 TYR A 15 8.797 -19.046 5.138 1.00 33.50 C ATOM 248 CD2 TYR A 15 9.509 -21.148 4.268 1.00 24.01 C ATOM 249 CE1 TYR A 15 7.589 -19.604 5.509 1.00 75.30 C ATOM 250 CE2 TYR A 15 8.304 -21.714 4.634 1.00 14.12 C ATOM 251 CZ TYR A 15 7.347 -20.938 5.254 1.00 35.15 C ATOM 252 OH TYR A 15 6.145 -21.498 5.622 1.00 74.40 O ATOM 0 H TYR A 15 13.775 -18.788 3.930 1.00 5.44 H new ATOM 0 HA TYR A 15 11.785 -18.889 6.123 1.00 63.32 H new ATOM 0 HB2 TYR A 15 10.940 -18.142 3.862 1.00 40.53 H new ATOM 0 HB3 TYR A 15 11.456 -19.682 3.203 1.00 40.53 H new ATOM 0 HD1 TYR A 15 8.983 -18.001 5.338 1.00 33.50 H new ATOM 0 HD2 TYR A 15 10.256 -21.759 3.783 1.00 24.01 H new ATOM 0 HE1 TYR A 15 6.838 -18.999 5.996 1.00 75.30 H new ATOM 0 HE2 TYR A 15 8.112 -22.758 4.436 1.00 14.12 H new ATOM 0 HH TYR A 15 6.135 -22.445 5.370 1.00 74.40 H new ATOM 262 N LYS A 16 13.609 -21.197 4.742 1.00 45.05 N ATOM 263 CA LYS A 16 14.076 -22.573 4.866 1.00 15.15 C ATOM 264 C LYS A 16 14.429 -22.898 6.314 1.00 35.43 C ATOM 265 O LYS A 16 15.580 -22.765 6.729 1.00 45.11 O ATOM 266 CB LYS A 16 15.293 -22.804 3.969 1.00 24.01 C ATOM 267 CG LYS A 16 15.813 -24.231 4.004 1.00 14.01 C ATOM 268 CD LYS A 16 17.281 -24.281 4.393 1.00 14.13 C ATOM 269 CE LYS A 16 17.997 -25.440 3.718 1.00 21.32 C ATOM 270 NZ LYS A 16 19.301 -25.742 4.371 1.00 44.24 N ATOM 0 H LYS A 16 14.160 -20.621 4.106 1.00 45.05 H new ATOM 0 HA LYS A 16 13.269 -23.234 4.549 1.00 15.15 H new ATOM 0 HB2 LYS A 16 15.031 -22.547 2.943 1.00 24.01 H new ATOM 0 HB3 LYS A 16 16.092 -22.128 4.273 1.00 24.01 H new ATOM 0 HG2 LYS A 16 15.228 -24.815 4.714 1.00 14.01 H new ATOM 0 HG3 LYS A 16 15.679 -24.692 3.025 1.00 14.01 H new ATOM 0 HD2 LYS A 16 17.764 -23.343 4.117 1.00 14.13 H new ATOM 0 HD3 LYS A 16 17.369 -24.378 5.475 1.00 14.13 H new ATOM 0 HE2 LYS A 16 17.362 -26.326 3.747 1.00 21.32 H new ATOM 0 HE3 LYS A 16 18.163 -25.202 2.667 1.00 21.32 H new ATOM 0 HZ1 LYS A 16 19.473 -26.767 4.344 1.00 44.24 H new ATOM 0 HZ2 LYS A 16 20.065 -25.249 3.866 1.00 44.24 H new ATOM 0 HZ3 LYS A 16 19.277 -25.421 5.360 1.00 44.24 H new ATOM 284 N THR A 17 13.430 -23.328 7.080 1.00 1.31 N ATOM 285 CA THR A 17 13.635 -23.673 8.481 1.00 4.41 C ATOM 286 C THR A 17 14.527 -24.901 8.620 1.00 63.00 C ATOM 287 O THR A 17 15.585 -24.862 9.249 1.00 31.12 O ATOM 288 CB THR A 17 12.297 -23.940 9.196 1.00 63.54 C ATOM 289 OG1 THR A 17 11.212 -23.799 8.272 1.00 10.12 O ATOM 290 CG2 THR A 17 12.106 -22.983 10.362 1.00 35.01 C ATOM 0 H THR A 17 12.471 -23.445 6.753 1.00 1.31 H new ATOM 0 HA THR A 17 14.123 -22.818 8.949 1.00 4.41 H new ATOM 0 HB THR A 17 12.314 -24.959 9.583 1.00 63.54 H new ATOM 0 HG1 THR A 17 10.365 -23.972 8.733 1.00 10.12 H new ATOM 0 HG21 THR A 17 11.154 -23.191 10.851 1.00 35.01 H new ATOM 0 HG22 THR A 17 12.918 -23.114 11.077 1.00 35.01 H new ATOM 0 HG23 THR A 17 12.108 -21.957 9.995 1.00 35.01 H new ATOM 298 N PRO A 18 14.094 -26.019 8.019 1.00 71.01 N ATOM 299 CA PRO A 18 14.840 -27.280 8.061 1.00 73.34 C ATOM 300 C PRO A 18 16.125 -27.221 7.242 1.00 73.22 C ATOM 301 O PRO A 18 16.520 -26.158 6.762 1.00 11.02 O ATOM 302 CB PRO A 18 13.864 -28.290 7.452 1.00 54.14 C ATOM 303 CG PRO A 18 12.972 -27.476 6.578 1.00 5.13 C ATOM 304 CD PRO A 18 12.843 -26.138 7.252 1.00 55.32 C ATOM 0 HA PRO A 18 15.159 -27.531 9.073 1.00 73.34 H new ATOM 0 HB2 PRO A 18 14.391 -29.053 6.879 1.00 54.14 H new ATOM 0 HB3 PRO A 18 13.296 -28.807 8.225 1.00 54.14 H new ATOM 0 HG2 PRO A 18 13.395 -27.371 5.579 1.00 5.13 H new ATOM 0 HG3 PRO A 18 11.998 -27.951 6.464 1.00 5.13 H new ATOM 0 HD2 PRO A 18 12.738 -25.331 6.526 1.00 55.32 H new ATOM 0 HD3 PRO A 18 11.968 -26.098 7.901 1.00 55.32 H new ATOM 312 N THR A 19 16.774 -28.371 7.085 1.00 43.55 N ATOM 313 CA THR A 19 18.015 -28.449 6.324 1.00 22.22 C ATOM 314 C THR A 19 17.973 -29.595 5.320 1.00 72.12 C ATOM 315 O THR A 19 17.556 -30.707 5.648 1.00 54.33 O ATOM 316 CB THR A 19 19.231 -28.639 7.251 1.00 12.31 C ATOM 317 OG1 THR A 19 18.857 -29.411 8.398 1.00 40.42 O ATOM 318 CG2 THR A 19 19.786 -27.294 7.697 1.00 32.53 C ATOM 0 H THR A 19 16.461 -29.260 7.474 1.00 43.55 H new ATOM 0 HA THR A 19 18.118 -27.505 5.790 1.00 22.22 H new ATOM 0 HB THR A 19 20.005 -29.168 6.695 1.00 12.31 H new ATOM 0 HG1 THR A 19 19.636 -29.529 8.981 1.00 40.42 H new ATOM 0 HG21 THR A 19 20.644 -27.453 8.351 1.00 32.53 H new ATOM 0 HG22 THR A 19 20.097 -26.721 6.823 1.00 32.53 H new ATOM 0 HG23 THR A 19 19.016 -26.743 8.237 1.00 32.53 H new ATOM 326 N LEU A 20 18.408 -29.319 4.095 1.00 15.54 N ATOM 327 CA LEU A 20 18.420 -30.328 3.042 1.00 41.42 C ATOM 328 C LEU A 20 19.493 -31.379 3.308 1.00 75.13 C ATOM 329 O LEU A 20 20.674 -31.158 3.040 1.00 31.44 O ATOM 330 CB LEU A 20 18.660 -29.670 1.682 1.00 64.13 C ATOM 331 CG LEU A 20 17.685 -30.054 0.569 1.00 72.42 C ATOM 332 CD1 LEU A 20 17.626 -28.964 -0.489 1.00 54.34 C ATOM 333 CD2 LEU A 20 18.084 -31.384 -0.055 1.00 11.12 C ATOM 0 H LEU A 20 18.757 -28.405 3.807 1.00 15.54 H new ATOM 0 HA LEU A 20 17.448 -30.822 3.034 1.00 41.42 H new ATOM 0 HB2 LEU A 20 18.623 -28.588 1.813 1.00 64.13 H new ATOM 0 HB3 LEU A 20 19.670 -29.917 1.354 1.00 64.13 H new ATOM 0 HG LEU A 20 16.692 -30.163 1.005 1.00 72.42 H new ATOM 0 HD11 LEU A 20 16.927 -29.255 -1.273 1.00 54.34 H new ATOM 0 HD12 LEU A 20 17.292 -28.032 -0.033 1.00 54.34 H new ATOM 0 HD13 LEU A 20 18.617 -28.822 -0.921 1.00 54.34 H new ATOM 0 HD21 LEU A 20 17.379 -31.641 -0.845 1.00 11.12 H new ATOM 0 HD22 LEU A 20 19.086 -31.302 -0.476 1.00 11.12 H new ATOM 0 HD23 LEU A 20 18.073 -32.162 0.708 1.00 11.12 H new ATOM 345 N LYS A 21 19.073 -32.525 3.834 1.00 51.30 N ATOM 346 CA LYS A 21 19.996 -33.613 4.133 1.00 33.22 C ATOM 347 C LYS A 21 20.315 -34.417 2.877 1.00 40.34 C ATOM 348 O LYS A 21 21.377 -35.031 2.774 1.00 22.02 O ATOM 349 CB LYS A 21 19.402 -34.533 5.202 1.00 30.24 C ATOM 350 CG LYS A 21 18.024 -35.065 4.850 1.00 73.20 C ATOM 351 CD LYS A 21 17.760 -36.409 5.508 1.00 34.11 C ATOM 352 CE LYS A 21 17.322 -36.245 6.956 1.00 42.55 C ATOM 353 NZ LYS A 21 17.464 -37.511 7.725 1.00 24.33 N ATOM 0 H LYS A 21 18.099 -32.724 4.062 1.00 51.30 H new ATOM 0 HA LYS A 21 20.922 -33.178 4.509 1.00 33.22 H new ATOM 0 HB2 LYS A 21 20.077 -35.374 5.361 1.00 30.24 H new ATOM 0 HB3 LYS A 21 19.342 -33.989 6.145 1.00 30.24 H new ATOM 0 HG2 LYS A 21 17.265 -34.349 5.166 1.00 73.20 H new ATOM 0 HG3 LYS A 21 17.937 -35.165 3.768 1.00 73.20 H new ATOM 0 HD2 LYS A 21 16.989 -36.942 4.952 1.00 34.11 H new ATOM 0 HD3 LYS A 21 18.662 -37.019 5.467 1.00 34.11 H new ATOM 0 HE2 LYS A 21 17.917 -35.464 7.429 1.00 42.55 H new ATOM 0 HE3 LYS A 21 16.283 -35.916 6.986 1.00 42.55 H new ATOM 0 HZ1 LYS A 21 17.155 -37.358 8.706 1.00 24.33 H new ATOM 0 HZ2 LYS A 21 16.876 -38.250 7.289 1.00 24.33 H new ATOM 0 HZ3 LYS A 21 18.460 -37.812 7.718 1.00 24.33 H new ATOM 367 N TYR A 22 19.391 -34.407 1.923 1.00 54.22 N ATOM 368 CA TYR A 22 19.574 -35.135 0.673 1.00 33.53 C ATOM 369 C TYR A 22 20.715 -34.538 -0.144 1.00 1.32 C ATOM 370 O TYR A 22 21.348 -35.226 -0.945 1.00 34.10 O ATOM 371 CB TYR A 22 18.282 -35.118 -0.146 1.00 31.24 C ATOM 372 CG TYR A 22 17.251 -36.118 0.328 1.00 64.21 C ATOM 373 CD1 TYR A 22 17.268 -37.431 -0.127 1.00 45.03 C ATOM 374 CD2 TYR A 22 16.260 -35.750 1.229 1.00 22.43 C ATOM 375 CE1 TYR A 22 16.329 -38.348 0.302 1.00 74.11 C ATOM 376 CE2 TYR A 22 15.317 -36.661 1.665 1.00 63.00 C ATOM 377 CZ TYR A 22 15.355 -37.958 1.198 1.00 25.54 C ATOM 378 OH TYR A 22 14.417 -38.868 1.629 1.00 61.21 O ATOM 0 H TYR A 22 18.507 -33.902 1.991 1.00 54.22 H new ATOM 0 HA TYR A 22 19.828 -36.166 0.918 1.00 33.53 H new ATOM 0 HB2 TYR A 22 17.850 -34.118 -0.107 1.00 31.24 H new ATOM 0 HB3 TYR A 22 18.521 -35.322 -1.190 1.00 31.24 H new ATOM 0 HD1 TYR A 22 18.029 -37.740 -0.828 1.00 45.03 H new ATOM 0 HD2 TYR A 22 16.226 -34.734 1.595 1.00 22.43 H new ATOM 0 HE1 TYR A 22 16.357 -39.365 -0.062 1.00 74.11 H new ATOM 0 HE2 TYR A 22 14.554 -36.359 2.368 1.00 63.00 H new ATOM 0 HH TYR A 22 13.804 -38.433 2.258 1.00 61.21 H new ATOM 388 N PHE A 23 20.973 -33.251 0.066 1.00 62.13 N ATOM 389 CA PHE A 23 22.038 -32.558 -0.651 1.00 30.54 C ATOM 390 C PHE A 23 23.409 -33.006 -0.153 1.00 1.04 C ATOM 391 O PHE A 23 24.343 -33.169 -0.936 1.00 65.20 O ATOM 392 CB PHE A 23 21.892 -31.044 -0.485 1.00 71.40 C ATOM 393 CG PHE A 23 22.427 -30.260 -1.649 1.00 13.22 C ATOM 394 CD1 PHE A 23 21.987 -30.519 -2.937 1.00 15.42 C ATOM 395 CD2 PHE A 23 23.370 -29.264 -1.455 1.00 0.43 C ATOM 396 CE1 PHE A 23 22.476 -29.798 -4.010 1.00 23.21 C ATOM 397 CE2 PHE A 23 23.863 -28.540 -2.524 1.00 0.42 C ATOM 398 CZ PHE A 23 23.417 -28.808 -3.803 1.00 74.00 C ATOM 0 H PHE A 23 20.460 -32.667 0.726 1.00 62.13 H new ATOM 0 HA PHE A 23 21.955 -32.810 -1.708 1.00 30.54 H new ATOM 0 HB2 PHE A 23 20.838 -30.801 -0.347 1.00 71.40 H new ATOM 0 HB3 PHE A 23 22.412 -30.734 0.422 1.00 71.40 H new ATOM 0 HD1 PHE A 23 21.253 -31.293 -3.105 1.00 15.42 H new ATOM 0 HD2 PHE A 23 23.724 -29.051 -0.457 1.00 0.43 H new ATOM 0 HE1 PHE A 23 22.123 -30.008 -5.009 1.00 23.21 H new ATOM 0 HE2 PHE A 23 24.597 -27.765 -2.359 1.00 0.42 H new ATOM 0 HZ PHE A 23 23.803 -28.245 -4.640 1.00 74.00 H new ATOM 408 N GLY A 24 23.521 -33.202 1.158 1.00 62.22 N ATOM 409 CA GLY A 24 24.781 -33.628 1.739 1.00 71.10 C ATOM 410 C GLY A 24 25.314 -34.896 1.102 1.00 31.22 C ATOM 411 O GLY A 24 24.545 -35.741 0.646 1.00 14.02 O ATOM 0 H GLY A 24 22.762 -33.073 1.827 1.00 62.22 H new ATOM 0 HA2 GLY A 24 25.517 -32.832 1.627 1.00 71.10 H new ATOM 0 HA3 GLY A 24 24.648 -33.791 2.809 1.00 71.10 H new ATOM 415 N GLY A 25 26.636 -35.030 1.069 1.00 5.43 N ATOM 416 CA GLY A 25 27.249 -36.206 0.480 1.00 50.23 C ATOM 417 C GLY A 25 28.724 -36.320 0.812 1.00 54.43 C ATOM 418 O GLY A 25 29.524 -35.473 0.413 1.00 22.35 O ATOM 0 H GLY A 25 27.294 -34.345 1.440 1.00 5.43 H new ATOM 0 HA2 GLY A 25 26.731 -37.097 0.833 1.00 50.23 H new ATOM 0 HA3 GLY A 25 27.125 -36.173 -0.602 1.00 50.23 H new ATOM 422 N PHE A 26 29.084 -37.368 1.545 1.00 43.32 N ATOM 423 CA PHE A 26 30.473 -37.588 1.933 1.00 54.12 C ATOM 424 C PHE A 26 30.959 -38.954 1.460 1.00 64.54 C ATOM 425 O PHE A 26 30.280 -39.964 1.641 1.00 51.14 O ATOM 426 CB PHE A 26 30.623 -37.478 3.451 1.00 25.05 C ATOM 427 CG PHE A 26 29.600 -38.270 4.214 1.00 24.14 C ATOM 428 CD1 PHE A 26 29.875 -39.563 4.631 1.00 41.33 C ATOM 429 CD2 PHE A 26 28.364 -37.722 4.515 1.00 73.13 C ATOM 430 CE1 PHE A 26 28.936 -40.294 5.333 1.00 21.23 C ATOM 431 CE2 PHE A 26 27.421 -38.449 5.217 1.00 10.52 C ATOM 432 CZ PHE A 26 27.707 -39.737 5.626 1.00 50.40 C ATOM 0 H PHE A 26 28.434 -38.078 1.882 1.00 43.32 H new ATOM 0 HA PHE A 26 31.084 -36.820 1.458 1.00 54.12 H new ATOM 0 HB2 PHE A 26 31.619 -37.817 3.735 1.00 25.05 H new ATOM 0 HB3 PHE A 26 30.549 -36.430 3.740 1.00 25.05 H new ATOM 0 HD1 PHE A 26 30.834 -40.004 4.405 1.00 41.33 H new ATOM 0 HD2 PHE A 26 28.135 -36.715 4.198 1.00 73.13 H new ATOM 0 HE1 PHE A 26 29.163 -41.300 5.652 1.00 21.23 H new ATOM 0 HE2 PHE A 26 26.461 -38.010 5.446 1.00 10.52 H new ATOM 0 HZ PHE A 26 26.971 -40.307 6.174 1.00 50.40 H new ATOM 442 N ASN A 27 32.141 -38.977 0.852 1.00 62.11 N ATOM 443 CA ASN A 27 32.719 -40.219 0.351 1.00 4.21 C ATOM 444 C ASN A 27 34.082 -40.479 0.985 1.00 3.15 C ATOM 445 O ASN A 27 35.114 -40.410 0.317 1.00 73.34 O ATOM 446 CB ASN A 27 32.855 -40.165 -1.172 1.00 3.31 C ATOM 447 CG ASN A 27 33.420 -41.449 -1.748 1.00 51.11 C ATOM 448 OD1 ASN A 27 34.316 -41.422 -2.592 1.00 31.41 O ATOM 449 ND2 ASN A 27 32.896 -42.581 -1.293 1.00 64.45 N ATOM 0 H ASN A 27 32.717 -38.150 0.694 1.00 62.11 H new ATOM 0 HA ASN A 27 32.050 -41.036 0.621 1.00 4.21 H new ATOM 0 HB2 ASN A 27 31.878 -39.970 -1.615 1.00 3.31 H new ATOM 0 HB3 ASN A 27 33.501 -39.331 -1.447 1.00 3.31 H new ATOM 0 HD21 ASN A 27 33.235 -43.477 -1.644 1.00 64.45 H new ATOM 0 HD22 ASN A 27 32.155 -42.555 -0.593 1.00 64.45 H new ATOM 456 N PHE A 28 34.079 -40.778 2.280 1.00 33.42 N ATOM 457 CA PHE A 28 35.314 -41.049 3.006 1.00 44.22 C ATOM 458 C PHE A 28 35.809 -42.465 2.729 1.00 70.42 C ATOM 459 O PHE A 28 37.000 -42.754 2.850 1.00 15.34 O ATOM 460 CB PHE A 28 35.101 -40.856 4.509 1.00 50.34 C ATOM 461 CG PHE A 28 35.054 -39.414 4.927 1.00 11.00 C ATOM 462 CD1 PHE A 28 33.907 -38.879 5.490 1.00 35.44 C ATOM 463 CD2 PHE A 28 36.157 -38.593 4.756 1.00 21.14 C ATOM 464 CE1 PHE A 28 33.860 -37.553 5.877 1.00 70.11 C ATOM 465 CE2 PHE A 28 36.117 -37.266 5.141 1.00 34.34 C ATOM 466 CZ PHE A 28 34.966 -36.745 5.701 1.00 23.41 C ATOM 0 H PHE A 28 33.234 -40.839 2.848 1.00 33.42 H new ATOM 0 HA PHE A 28 36.070 -40.345 2.660 1.00 44.22 H new ATOM 0 HB2 PHE A 28 34.170 -41.341 4.801 1.00 50.34 H new ATOM 0 HB3 PHE A 28 35.905 -41.357 5.049 1.00 50.34 H new ATOM 0 HD1 PHE A 28 33.039 -39.506 5.628 1.00 35.44 H new ATOM 0 HD2 PHE A 28 37.058 -38.994 4.317 1.00 21.14 H new ATOM 0 HE1 PHE A 28 32.960 -37.149 6.316 1.00 70.11 H new ATOM 0 HE2 PHE A 28 36.984 -36.637 5.004 1.00 34.34 H new ATOM 0 HZ PHE A 28 34.932 -35.708 6.000 1.00 23.41 H new ATOM 476 N SER A 29 34.886 -43.346 2.356 1.00 14.12 N ATOM 477 CA SER A 29 35.226 -44.734 2.066 1.00 52.10 C ATOM 478 C SER A 29 36.329 -44.814 1.016 1.00 63.55 C ATOM 479 O SER A 29 37.095 -45.777 0.978 1.00 22.01 O ATOM 480 CB SER A 29 33.989 -45.494 1.582 1.00 2.24 C ATOM 481 OG SER A 29 33.142 -44.655 0.816 1.00 2.24 O ATOM 0 H SER A 29 33.897 -43.123 2.248 1.00 14.12 H new ATOM 0 HA SER A 29 35.589 -45.194 2.985 1.00 52.10 H new ATOM 0 HB2 SER A 29 34.296 -46.351 0.982 1.00 2.24 H new ATOM 0 HB3 SER A 29 33.440 -45.885 2.439 1.00 2.24 H new ATOM 0 HG SER A 29 32.360 -45.165 0.517 1.00 2.24 H new ATOM 487 N GLN A 30 36.403 -43.796 0.164 1.00 31.35 N ATOM 488 CA GLN A 30 37.412 -43.752 -0.887 1.00 52.23 C ATOM 489 C GLN A 30 38.808 -43.964 -0.312 1.00 1.14 C ATOM 490 O GLN A 30 39.646 -44.631 -0.920 1.00 33.05 O ATOM 491 CB GLN A 30 37.350 -42.414 -1.627 1.00 32.15 C ATOM 492 CG GLN A 30 38.403 -42.270 -2.713 1.00 41.01 C ATOM 493 CD GLN A 30 38.255 -40.985 -3.503 1.00 13.40 C ATOM 494 OE1 GLN A 30 38.862 -39.966 -3.172 1.00 53.52 O ATOM 495 NE2 GLN A 30 37.444 -41.026 -4.554 1.00 45.42 N ATOM 0 H GLN A 30 35.776 -42.991 0.181 1.00 31.35 H new ATOM 0 HA GLN A 30 37.203 -44.558 -1.590 1.00 52.23 H new ATOM 0 HB2 GLN A 30 36.362 -42.301 -2.073 1.00 32.15 H new ATOM 0 HB3 GLN A 30 37.469 -41.604 -0.907 1.00 32.15 H new ATOM 0 HG2 GLN A 30 39.394 -42.301 -2.259 1.00 41.01 H new ATOM 0 HG3 GLN A 30 38.337 -43.120 -3.393 1.00 41.01 H new ATOM 0 HE21 GLN A 30 36.961 -41.892 -4.792 1.00 45.42 H new ATOM 0 HE22 GLN A 30 37.304 -40.191 -5.123 1.00 45.42 H new ATOM 504 N ILE A 31 39.052 -43.392 0.863 1.00 55.02 N ATOM 505 CA ILE A 31 40.346 -43.519 1.520 1.00 22.42 C ATOM 506 C ILE A 31 40.629 -44.969 1.901 1.00 0.41 C ATOM 507 O ILE A 31 41.783 -45.398 1.940 1.00 11.15 O ATOM 508 CB ILE A 31 40.424 -42.643 2.785 1.00 62.55 C ATOM 509 CG1 ILE A 31 40.164 -41.177 2.432 1.00 25.35 C ATOM 510 CG2 ILE A 31 41.781 -42.801 3.455 1.00 52.41 C ATOM 511 CD1 ILE A 31 40.116 -40.266 3.639 1.00 51.34 C ATOM 0 H ILE A 31 38.370 -42.836 1.379 1.00 55.02 H new ATOM 0 HA ILE A 31 41.097 -43.180 0.806 1.00 22.42 H new ATOM 0 HB ILE A 31 39.655 -42.970 3.485 1.00 62.55 H new ATOM 0 HG12 ILE A 31 40.945 -40.830 1.756 1.00 25.35 H new ATOM 0 HG13 ILE A 31 39.220 -41.103 1.893 1.00 25.35 H new ATOM 0 HG21 ILE A 31 41.821 -42.176 4.347 1.00 52.41 H new ATOM 0 HG22 ILE A 31 41.929 -43.844 3.735 1.00 52.41 H new ATOM 0 HG23 ILE A 31 42.566 -42.496 2.763 1.00 52.41 H new ATOM 0 HD11 ILE A 31 39.928 -39.242 3.315 1.00 51.34 H new ATOM 0 HD12 ILE A 31 39.316 -40.588 4.306 1.00 51.34 H new ATOM 0 HD13 ILE A 31 41.069 -40.311 4.167 1.00 51.34 H new ATOM 523 N LEU A 32 39.569 -45.719 2.179 1.00 12.04 N ATOM 524 CA LEU A 32 39.702 -47.122 2.556 1.00 70.24 C ATOM 525 C LEU A 32 39.088 -48.031 1.495 1.00 3.22 C ATOM 526 O LEU A 32 38.025 -48.621 1.688 1.00 40.21 O ATOM 527 CB LEU A 32 39.033 -47.374 3.908 1.00 2.31 C ATOM 528 CG LEU A 32 39.931 -47.232 5.138 1.00 41.34 C ATOM 529 CD1 LEU A 32 40.613 -45.872 5.147 1.00 72.34 C ATOM 530 CD2 LEU A 32 39.126 -47.435 6.413 1.00 54.24 C ATOM 0 H LEU A 32 38.608 -45.379 2.151 1.00 12.04 H new ATOM 0 HA LEU A 32 40.765 -47.352 2.635 1.00 70.24 H new ATOM 0 HB2 LEU A 32 38.197 -46.683 4.012 1.00 2.31 H new ATOM 0 HB3 LEU A 32 38.615 -48.381 3.902 1.00 2.31 H new ATOM 0 HG LEU A 32 40.701 -48.002 5.092 1.00 41.34 H new ATOM 0 HD11 LEU A 32 41.248 -45.789 6.029 1.00 72.34 H new ATOM 0 HD12 LEU A 32 41.223 -45.765 4.250 1.00 72.34 H new ATOM 0 HD13 LEU A 32 39.858 -45.086 5.168 1.00 72.34 H new ATOM 0 HD21 LEU A 32 39.781 -47.330 7.278 1.00 54.24 H new ATOM 0 HD22 LEU A 32 38.334 -46.688 6.466 1.00 54.24 H new ATOM 0 HD23 LEU A 32 38.685 -48.432 6.410 1.00 54.24 H new ATOM 542 N PRO A 33 39.774 -48.149 0.348 1.00 32.24 N ATOM 543 CA PRO A 33 39.316 -48.987 -0.764 1.00 44.24 C ATOM 544 C PRO A 33 39.404 -50.475 -0.444 1.00 44.00 C ATOM 545 O PRO A 33 39.735 -50.860 0.677 1.00 3.35 O ATOM 546 CB PRO A 33 40.279 -48.626 -1.899 1.00 31.13 C ATOM 547 CG PRO A 33 41.512 -48.149 -1.212 1.00 52.30 C ATOM 548 CD PRO A 33 41.048 -47.475 0.050 1.00 44.11 C ATOM 0 HA PRO A 33 38.267 -48.810 -1.003 1.00 44.24 H new ATOM 0 HB2 PRO A 33 40.487 -49.489 -2.531 1.00 31.13 H new ATOM 0 HB3 PRO A 33 39.860 -47.853 -2.543 1.00 31.13 H new ATOM 0 HG2 PRO A 33 42.180 -48.980 -0.987 1.00 52.30 H new ATOM 0 HG3 PRO A 33 42.067 -47.455 -1.844 1.00 52.30 H new ATOM 0 HD2 PRO A 33 41.767 -47.599 0.860 1.00 44.11 H new ATOM 0 HD3 PRO A 33 40.912 -46.403 -0.094 1.00 44.11 H new ATOM 556 N SER A 34 39.107 -51.308 -1.436 1.00 53.22 N ATOM 557 CA SER A 34 39.149 -52.755 -1.259 1.00 1.44 C ATOM 558 C SER A 34 39.540 -53.450 -2.559 1.00 23.32 C ATOM 559 O SER A 34 39.435 -52.889 -3.649 1.00 43.43 O ATOM 560 CB SER A 34 37.791 -53.271 -0.779 1.00 41.22 C ATOM 561 OG SER A 34 36.753 -52.367 -1.118 1.00 64.34 O ATOM 0 H SER A 34 38.834 -51.006 -2.371 1.00 53.22 H new ATOM 0 HA SER A 34 39.903 -52.983 -0.505 1.00 1.44 H new ATOM 0 HB2 SER A 34 37.590 -54.245 -1.226 1.00 41.22 H new ATOM 0 HB3 SER A 34 37.814 -53.415 0.301 1.00 41.22 H new ATOM 0 HG SER A 34 35.895 -52.720 -0.802 1.00 64.34 H new ATOM 567 N PRO A 35 40.003 -54.704 -2.442 1.00 51.11 N ATOM 568 CA PRO A 35 40.419 -55.505 -3.597 1.00 41.22 C ATOM 569 C PRO A 35 39.240 -55.917 -4.472 1.00 0.01 C ATOM 570 O PRO A 35 38.103 -55.510 -4.231 1.00 52.41 O ATOM 571 CB PRO A 35 41.068 -56.736 -2.960 1.00 1.12 C ATOM 572 CG PRO A 35 40.434 -56.846 -1.616 1.00 52.23 C ATOM 573 CD PRO A 35 40.155 -55.436 -1.174 1.00 32.14 C ATOM 0 HA PRO A 35 41.084 -54.950 -4.259 1.00 41.22 H new ATOM 0 HB2 PRO A 35 40.890 -57.631 -3.556 1.00 1.12 H new ATOM 0 HB3 PRO A 35 42.148 -56.617 -2.879 1.00 1.12 H new ATOM 0 HG2 PRO A 35 39.514 -57.429 -1.665 1.00 52.23 H new ATOM 0 HG3 PRO A 35 41.095 -57.352 -0.913 1.00 52.23 H new ATOM 0 HD2 PRO A 35 39.253 -55.377 -0.565 1.00 32.14 H new ATOM 0 HD3 PRO A 35 40.971 -55.034 -0.574 1.00 32.14 H new ATOM 581 N LEU A 36 39.518 -56.727 -5.487 1.00 74.14 N ATOM 582 CA LEU A 36 38.479 -57.195 -6.399 1.00 30.44 C ATOM 583 C LEU A 36 38.382 -58.717 -6.377 1.00 74.41 C ATOM 584 O LEU A 36 39.302 -59.403 -5.933 1.00 23.34 O ATOM 585 CB LEU A 36 38.765 -56.711 -7.821 1.00 72.22 C ATOM 586 CG LEU A 36 37.543 -56.500 -8.716 1.00 63.25 C ATOM 587 CD1 LEU A 36 36.680 -55.368 -8.183 1.00 52.31 C ATOM 588 CD2 LEU A 36 37.974 -56.216 -10.148 1.00 61.11 C ATOM 0 H LEU A 36 40.453 -57.074 -5.700 1.00 74.14 H new ATOM 0 HA LEU A 36 37.526 -56.783 -6.067 1.00 30.44 H new ATOM 0 HB2 LEU A 36 39.313 -55.771 -7.760 1.00 72.22 H new ATOM 0 HB3 LEU A 36 39.424 -57.433 -8.304 1.00 72.22 H new ATOM 0 HG LEU A 36 36.950 -57.415 -8.710 1.00 63.25 H new ATOM 0 HD11 LEU A 36 35.815 -55.233 -8.833 1.00 52.31 H new ATOM 0 HD12 LEU A 36 36.342 -55.611 -7.176 1.00 52.31 H new ATOM 0 HD13 LEU A 36 37.263 -54.447 -8.158 1.00 52.31 H new ATOM 0 HD21 LEU A 36 37.092 -56.068 -10.771 1.00 61.11 H new ATOM 0 HD22 LEU A 36 38.589 -55.317 -10.171 1.00 61.11 H new ATOM 0 HD23 LEU A 36 38.550 -57.059 -10.529 1.00 61.11 H new ATOM 600 N LYS A 37 37.261 -59.240 -6.862 1.00 75.24 N ATOM 601 CA LYS A 37 37.043 -60.681 -6.903 1.00 33.41 C ATOM 602 C LYS A 37 37.558 -61.273 -8.211 1.00 4.02 C ATOM 603 O LYS A 37 37.706 -60.580 -9.218 1.00 31.21 O ATOM 604 CB LYS A 37 35.554 -60.998 -6.740 1.00 4.35 C ATOM 605 CG LYS A 37 35.070 -60.919 -5.302 1.00 40.01 C ATOM 606 CD LYS A 37 34.974 -62.297 -4.670 1.00 22.34 C ATOM 607 CE LYS A 37 33.814 -63.095 -5.245 1.00 13.14 C ATOM 608 NZ LYS A 37 33.853 -64.520 -4.814 1.00 51.12 N ATOM 0 H LYS A 37 36.489 -58.687 -7.233 1.00 75.24 H new ATOM 0 HA LYS A 37 37.597 -61.130 -6.078 1.00 33.41 H new ATOM 0 HB2 LYS A 37 34.974 -60.304 -7.348 1.00 4.35 H new ATOM 0 HB3 LYS A 37 35.360 -61.999 -7.126 1.00 4.35 H new ATOM 0 HG2 LYS A 37 35.752 -60.298 -4.721 1.00 40.01 H new ATOM 0 HG3 LYS A 37 34.094 -60.435 -5.272 1.00 40.01 H new ATOM 0 HD2 LYS A 37 35.906 -62.839 -4.833 1.00 22.34 H new ATOM 0 HD3 LYS A 37 34.848 -62.196 -3.592 1.00 22.34 H new ATOM 0 HE2 LYS A 37 32.872 -62.646 -4.929 1.00 13.14 H new ATOM 0 HE3 LYS A 37 33.842 -63.044 -6.333 1.00 13.14 H new ATOM 0 HZ1 LYS A 37 33.046 -65.030 -5.227 1.00 51.12 H new ATOM 0 HZ2 LYS A 37 34.740 -64.956 -5.137 1.00 51.12 H new ATOM 0 HZ3 LYS A 37 33.800 -64.570 -3.777 1.00 51.12 H new ATOM 622 N PRO A 38 37.838 -62.585 -8.198 1.00 42.33 N ATOM 623 CA PRO A 38 38.340 -63.298 -9.376 1.00 74.45 C ATOM 624 C PRO A 38 37.281 -63.435 -10.466 1.00 1.24 C ATOM 625 O PRO A 38 36.194 -63.962 -10.227 1.00 70.35 O ATOM 626 CB PRO A 38 38.718 -64.675 -8.823 1.00 51.41 C ATOM 627 CG PRO A 38 37.860 -64.847 -7.617 1.00 43.13 C ATOM 628 CD PRO A 38 37.686 -63.472 -7.033 1.00 61.22 C ATOM 0 HA PRO A 38 39.169 -62.771 -9.849 1.00 74.45 H new ATOM 0 HB2 PRO A 38 38.533 -65.460 -9.556 1.00 51.41 H new ATOM 0 HB3 PRO A 38 39.776 -64.722 -8.566 1.00 51.41 H new ATOM 0 HG2 PRO A 38 36.897 -65.283 -7.882 1.00 43.13 H new ATOM 0 HG3 PRO A 38 38.327 -65.520 -6.898 1.00 43.13 H new ATOM 0 HD2 PRO A 38 36.709 -63.355 -6.564 1.00 61.22 H new ATOM 0 HD3 PRO A 38 38.434 -63.263 -6.268 1.00 61.22 H new ATOM 636 N THR A 39 37.605 -62.956 -11.663 1.00 23.51 N ATOM 637 CA THR A 39 36.682 -63.024 -12.789 1.00 22.53 C ATOM 638 C THR A 39 36.677 -64.415 -13.412 1.00 64.35 C ATOM 639 O THR A 39 35.704 -64.818 -14.050 1.00 31.23 O ATOM 640 CB THR A 39 37.040 -61.990 -13.872 1.00 42.40 C ATOM 641 OG1 THR A 39 37.129 -60.684 -13.292 1.00 14.53 O ATOM 642 CG2 THR A 39 36.001 -61.987 -14.983 1.00 32.33 C ATOM 0 H THR A 39 38.500 -62.517 -11.878 1.00 23.51 H new ATOM 0 HA THR A 39 35.689 -62.800 -12.398 1.00 22.53 H new ATOM 0 HB THR A 39 38.005 -62.264 -14.299 1.00 42.40 H new ATOM 0 HG1 THR A 39 37.359 -60.032 -13.987 1.00 14.53 H new ATOM 0 HG21 THR A 39 36.276 -61.248 -15.736 1.00 32.33 H new ATOM 0 HG22 THR A 39 35.957 -62.974 -15.442 1.00 32.33 H new ATOM 0 HG23 THR A 39 35.025 -61.736 -14.568 1.00 32.33 H new ATOM 650 N LYS A 40 37.771 -65.147 -13.225 1.00 12.41 N ATOM 651 CA LYS A 40 37.893 -66.494 -13.767 1.00 73.54 C ATOM 652 C LYS A 40 36.836 -67.419 -13.171 1.00 55.45 C ATOM 653 O LYS A 40 36.456 -68.418 -13.782 1.00 54.32 O ATOM 654 CB LYS A 40 39.290 -67.054 -13.489 1.00 53.01 C ATOM 655 CG LYS A 40 40.308 -66.708 -14.561 1.00 43.34 C ATOM 656 CD LYS A 40 41.699 -66.532 -13.974 1.00 34.31 C ATOM 657 CE LYS A 40 42.526 -65.548 -14.785 1.00 44.53 C ATOM 658 NZ LYS A 40 42.040 -64.149 -14.624 1.00 72.34 N ATOM 0 H LYS A 40 38.586 -64.828 -12.701 1.00 12.41 H new ATOM 0 HA LYS A 40 37.737 -66.440 -14.844 1.00 73.54 H new ATOM 0 HB2 LYS A 40 39.641 -66.673 -12.530 1.00 53.01 H new ATOM 0 HB3 LYS A 40 39.226 -68.138 -13.397 1.00 53.01 H new ATOM 0 HG2 LYS A 40 40.327 -67.496 -15.314 1.00 43.34 H new ATOM 0 HG3 LYS A 40 40.007 -65.791 -15.067 1.00 43.34 H new ATOM 0 HD2 LYS A 40 41.619 -66.180 -12.945 1.00 34.31 H new ATOM 0 HD3 LYS A 40 42.206 -67.496 -13.943 1.00 34.31 H new ATOM 0 HE2 LYS A 40 43.569 -65.608 -14.474 1.00 44.53 H new ATOM 0 HE3 LYS A 40 42.491 -65.826 -15.838 1.00 44.53 H new ATOM 0 HZ1 LYS A 40 42.788 -63.486 -14.911 1.00 72.34 H new ATOM 0 HZ2 LYS A 40 41.200 -64.003 -15.220 1.00 72.34 H new ATOM 0 HZ3 LYS A 40 41.792 -63.980 -13.628 1.00 72.34 H new ATOM 672 N ARG A 41 36.364 -67.078 -11.977 1.00 13.52 N ATOM 673 CA ARG A 41 35.350 -67.877 -11.299 1.00 40.21 C ATOM 674 C ARG A 41 34.089 -67.992 -12.151 1.00 64.01 C ATOM 675 O ARG A 41 33.336 -68.959 -12.035 1.00 41.33 O ATOM 676 CB ARG A 41 35.007 -67.260 -9.942 1.00 53.30 C ATOM 677 CG ARG A 41 34.149 -66.009 -10.041 1.00 52.13 C ATOM 678 CD ARG A 41 32.681 -66.319 -9.794 1.00 32.22 C ATOM 679 NE ARG A 41 32.439 -66.764 -8.424 1.00 32.10 N ATOM 680 CZ ARG A 41 31.237 -66.779 -7.858 1.00 22.42 C ATOM 681 NH1 ARG A 41 30.174 -66.377 -8.540 1.00 70.21 N ATOM 682 NH2 ARG A 41 31.097 -67.198 -6.607 1.00 24.35 N ATOM 0 H ARG A 41 36.667 -66.254 -11.459 1.00 13.52 H new ATOM 0 HA ARG A 41 35.755 -68.877 -11.144 1.00 40.21 H new ATOM 0 HB2 ARG A 41 34.485 -68.001 -9.337 1.00 53.30 H new ATOM 0 HB3 ARG A 41 35.932 -67.016 -9.419 1.00 53.30 H new ATOM 0 HG2 ARG A 41 34.493 -65.272 -9.315 1.00 52.13 H new ATOM 0 HG3 ARG A 41 34.267 -65.563 -11.029 1.00 52.13 H new ATOM 0 HD2 ARG A 41 32.084 -65.430 -9.997 1.00 32.22 H new ATOM 0 HD3 ARG A 41 32.351 -67.091 -10.490 1.00 32.22 H new ATOM 0 HE ARG A 41 33.236 -67.080 -7.872 1.00 32.10 H new ATOM 0 HH11 ARG A 41 30.277 -66.055 -9.502 1.00 70.21 H new ATOM 0 HH12 ARG A 41 29.253 -66.390 -8.103 1.00 70.21 H new ATOM 0 HH21 ARG A 41 31.912 -67.509 -6.079 1.00 24.35 H new ATOM 0 HH22 ARG A 41 30.174 -67.209 -6.173 1.00 24.35 H new ATOM 696 N SER A 42 33.866 -66.999 -13.006 1.00 64.12 N ATOM 697 CA SER A 42 32.695 -66.987 -13.875 1.00 0.35 C ATOM 698 C SER A 42 32.591 -68.288 -14.665 1.00 12.42 C ATOM 699 O SER A 42 33.489 -68.635 -15.432 1.00 21.34 O ATOM 700 CB SER A 42 32.758 -65.797 -14.835 1.00 22.24 C ATOM 701 OG SER A 42 33.626 -66.065 -15.923 1.00 34.54 O ATOM 0 H SER A 42 34.481 -66.192 -13.116 1.00 64.12 H new ATOM 0 HA SER A 42 31.809 -66.892 -13.248 1.00 0.35 H new ATOM 0 HB2 SER A 42 31.759 -65.574 -15.209 1.00 22.24 H new ATOM 0 HB3 SER A 42 33.103 -64.912 -14.300 1.00 22.24 H new ATOM 0 HG SER A 42 33.914 -67.001 -15.889 1.00 34.54 H new ATOM 707 N PHE A 43 31.488 -69.003 -14.472 1.00 14.02 N ATOM 708 CA PHE A 43 31.265 -70.266 -15.165 1.00 32.51 C ATOM 709 C PHE A 43 31.015 -70.034 -16.652 1.00 71.22 C ATOM 710 O PHE A 43 31.258 -70.915 -17.478 1.00 51.30 O ATOM 711 CB PHE A 43 30.078 -71.009 -14.547 1.00 25.32 C ATOM 712 CG PHE A 43 28.759 -70.331 -14.781 1.00 32.41 C ATOM 713 CD1 PHE A 43 28.004 -70.624 -15.905 1.00 64.25 C ATOM 714 CD2 PHE A 43 28.273 -69.401 -13.876 1.00 40.25 C ATOM 715 CE1 PHE A 43 26.789 -70.002 -16.124 1.00 23.42 C ATOM 716 CE2 PHE A 43 27.059 -68.776 -14.089 1.00 74.22 C ATOM 717 CZ PHE A 43 26.316 -69.076 -15.215 1.00 25.42 C ATOM 0 H PHE A 43 30.735 -68.729 -13.841 1.00 14.02 H new ATOM 0 HA PHE A 43 32.163 -70.875 -15.056 1.00 32.51 H new ATOM 0 HB2 PHE A 43 30.037 -72.018 -14.958 1.00 25.32 H new ATOM 0 HB3 PHE A 43 30.241 -71.109 -13.474 1.00 25.32 H new ATOM 0 HD1 PHE A 43 28.369 -71.347 -16.619 1.00 64.25 H new ATOM 0 HD2 PHE A 43 28.849 -69.162 -12.994 1.00 40.25 H new ATOM 0 HE1 PHE A 43 26.211 -70.240 -17.005 1.00 23.42 H new ATOM 0 HE2 PHE A 43 26.691 -68.053 -13.376 1.00 74.22 H new ATOM 0 HZ PHE A 43 25.368 -68.587 -15.384 1.00 25.42 H new ATOM 727 N ILE A 44 30.528 -68.844 -16.985 1.00 54.22 N ATOM 728 CA ILE A 44 30.245 -68.495 -18.372 1.00 61.31 C ATOM 729 C ILE A 44 31.471 -68.711 -19.254 1.00 35.04 C ATOM 730 O ILE A 44 31.348 -68.963 -20.452 1.00 21.33 O ATOM 731 CB ILE A 44 29.784 -67.032 -18.502 1.00 44.51 C ATOM 732 CG1 ILE A 44 30.919 -66.081 -18.116 1.00 43.43 C ATOM 733 CG2 ILE A 44 28.560 -66.783 -17.635 1.00 14.35 C ATOM 734 CD1 ILE A 44 30.562 -64.619 -18.273 1.00 4.04 C ATOM 0 H ILE A 44 30.321 -68.105 -16.313 1.00 54.22 H new ATOM 0 HA ILE A 44 29.441 -69.151 -18.705 1.00 61.31 H new ATOM 0 HB ILE A 44 29.513 -66.843 -19.541 1.00 44.51 H new ATOM 0 HG12 ILE A 44 31.203 -66.268 -17.080 1.00 43.43 H new ATOM 0 HG13 ILE A 44 31.792 -66.302 -18.730 1.00 43.43 H new ATOM 0 HG21 ILE A 44 28.246 -65.744 -17.738 1.00 14.35 H new ATOM 0 HG22 ILE A 44 27.750 -67.440 -17.952 1.00 14.35 H new ATOM 0 HG23 ILE A 44 28.805 -66.986 -16.593 1.00 14.35 H new ATOM 0 HD11 ILE A 44 31.413 -64.003 -17.982 1.00 4.04 H new ATOM 0 HD12 ILE A 44 30.307 -64.416 -19.313 1.00 4.04 H new ATOM 0 HD13 ILE A 44 29.709 -64.383 -17.637 1.00 4.04 H new ATOM 746 N GLU A 45 32.651 -68.612 -18.651 1.00 3.50 N ATOM 747 CA GLU A 45 33.899 -68.797 -19.382 1.00 43.00 C ATOM 748 C GLU A 45 33.945 -70.173 -20.041 1.00 12.24 C ATOM 749 O GLU A 45 34.622 -70.368 -21.050 1.00 3.50 O ATOM 750 CB GLU A 45 35.096 -68.629 -18.443 1.00 51.03 C ATOM 751 CG GLU A 45 35.440 -67.179 -18.149 1.00 52.52 C ATOM 752 CD GLU A 45 36.260 -66.538 -19.252 1.00 74.04 C ATOM 753 OE1 GLU A 45 36.698 -67.269 -20.166 1.00 12.25 O ATOM 754 OE2 GLU A 45 36.463 -65.307 -19.203 1.00 22.12 O ATOM 0 H GLU A 45 32.769 -68.405 -17.659 1.00 3.50 H new ATOM 0 HA GLU A 45 33.949 -68.038 -20.162 1.00 43.00 H new ATOM 0 HB2 GLU A 45 34.885 -69.141 -17.504 1.00 51.03 H new ATOM 0 HB3 GLU A 45 35.965 -69.117 -18.884 1.00 51.03 H new ATOM 0 HG2 GLU A 45 34.519 -66.612 -18.010 1.00 52.52 H new ATOM 0 HG3 GLU A 45 35.993 -67.124 -17.211 1.00 52.52 H new ATOM 761 N ASP A 46 33.220 -71.123 -19.462 1.00 34.44 N ATOM 762 CA ASP A 46 33.176 -72.481 -19.992 1.00 30.35 C ATOM 763 C ASP A 46 32.547 -72.502 -21.381 1.00 64.44 C ATOM 764 O ASP A 46 33.158 -72.971 -22.343 1.00 75.03 O ATOM 765 CB ASP A 46 32.390 -73.394 -19.049 1.00 63.40 C ATOM 766 CG ASP A 46 32.473 -74.853 -19.453 1.00 64.14 C ATOM 767 OD1 ASP A 46 32.989 -75.662 -18.654 1.00 31.42 O ATOM 768 OD2 ASP A 46 32.022 -75.186 -20.569 1.00 41.31 O ATOM 0 H ASP A 46 32.655 -70.978 -18.626 1.00 34.44 H new ATOM 0 HA ASP A 46 34.200 -72.847 -20.071 1.00 30.35 H new ATOM 0 HB2 ASP A 46 32.772 -73.279 -18.035 1.00 63.40 H new ATOM 0 HB3 ASP A 46 31.345 -73.083 -19.034 1.00 63.40 H new ATOM 773 N LEU A 47 31.324 -71.993 -21.480 1.00 25.04 N ATOM 774 CA LEU A 47 30.612 -71.954 -22.752 1.00 11.10 C ATOM 775 C LEU A 47 31.133 -70.824 -23.634 1.00 2.44 C ATOM 776 O LEU A 47 30.923 -70.821 -24.847 1.00 63.23 O ATOM 777 CB LEU A 47 29.111 -71.779 -22.513 1.00 61.23 C ATOM 778 CG LEU A 47 28.696 -70.530 -21.735 1.00 62.11 C ATOM 779 CD1 LEU A 47 28.487 -69.357 -22.680 1.00 73.34 C ATOM 780 CD2 LEU A 47 27.434 -70.799 -20.928 1.00 64.12 C ATOM 0 H LEU A 47 30.805 -71.601 -20.694 1.00 25.04 H new ATOM 0 HA LEU A 47 30.785 -72.900 -23.266 1.00 11.10 H new ATOM 0 HB2 LEU A 47 28.609 -71.763 -23.480 1.00 61.23 H new ATOM 0 HB3 LEU A 47 28.744 -72.655 -21.977 1.00 61.23 H new ATOM 0 HG LEU A 47 29.498 -70.274 -21.043 1.00 62.11 H new ATOM 0 HD11 LEU A 47 28.192 -68.477 -22.108 1.00 73.34 H new ATOM 0 HD12 LEU A 47 29.415 -69.149 -23.213 1.00 73.34 H new ATOM 0 HD13 LEU A 47 27.704 -69.603 -23.397 1.00 73.34 H new ATOM 0 HD21 LEU A 47 27.153 -69.899 -20.381 1.00 64.12 H new ATOM 0 HD22 LEU A 47 26.625 -71.081 -21.601 1.00 64.12 H new ATOM 0 HD23 LEU A 47 27.619 -71.610 -20.223 1.00 64.12 H new ATOM 792 N LEU A 48 31.815 -69.865 -23.016 1.00 63.41 N ATOM 793 CA LEU A 48 32.370 -68.730 -23.745 1.00 15.41 C ATOM 794 C LEU A 48 33.752 -69.060 -24.298 1.00 3.34 C ATOM 795 O LEU A 48 34.312 -68.303 -25.092 1.00 33.32 O ATOM 796 CB LEU A 48 32.451 -67.504 -22.833 1.00 24.20 C ATOM 797 CG LEU A 48 32.981 -66.223 -23.477 1.00 4.41 C ATOM 798 CD1 LEU A 48 32.156 -65.860 -24.702 1.00 1.24 C ATOM 799 CD2 LEU A 48 32.978 -65.080 -22.472 1.00 24.02 C ATOM 0 H LEU A 48 31.997 -69.851 -22.012 1.00 63.41 H new ATOM 0 HA LEU A 48 31.709 -68.509 -24.583 1.00 15.41 H new ATOM 0 HB2 LEU A 48 31.455 -67.303 -22.438 1.00 24.20 H new ATOM 0 HB3 LEU A 48 33.087 -67.750 -21.983 1.00 24.20 H new ATOM 0 HG LEU A 48 34.009 -66.398 -23.795 1.00 4.41 H new ATOM 0 HD11 LEU A 48 32.548 -64.945 -25.147 1.00 1.24 H new ATOM 0 HD12 LEU A 48 32.210 -66.670 -25.430 1.00 1.24 H new ATOM 0 HD13 LEU A 48 31.118 -65.704 -24.408 1.00 1.24 H new ATOM 0 HD21 LEU A 48 33.358 -64.176 -22.948 1.00 24.02 H new ATOM 0 HD22 LEU A 48 31.960 -64.905 -22.123 1.00 24.02 H new ATOM 0 HD23 LEU A 48 33.613 -65.339 -21.625 1.00 24.02 H new ATOM 811 N PHE A 49 34.298 -70.195 -23.874 1.00 34.10 N ATOM 812 CA PHE A 49 35.615 -70.626 -24.327 1.00 73.55 C ATOM 813 C PHE A 49 35.707 -70.583 -25.850 1.00 1.51 C ATOM 814 O PHE A 49 36.479 -69.808 -26.413 1.00 42.03 O ATOM 815 CB PHE A 49 35.911 -72.042 -23.828 1.00 21.10 C ATOM 816 CG PHE A 49 37.374 -72.381 -23.820 1.00 44.12 C ATOM 817 CD1 PHE A 49 38.034 -72.634 -22.628 1.00 41.04 C ATOM 818 CD2 PHE A 49 38.090 -72.446 -25.005 1.00 2.32 C ATOM 819 CE1 PHE A 49 39.381 -72.946 -22.618 1.00 35.43 C ATOM 820 CE2 PHE A 49 39.437 -72.758 -25.000 1.00 75.13 C ATOM 821 CZ PHE A 49 40.083 -73.008 -23.805 1.00 52.53 C ATOM 0 H PHE A 49 33.848 -70.833 -23.217 1.00 34.10 H new ATOM 0 HA PHE A 49 36.356 -69.940 -23.915 1.00 73.55 H new ATOM 0 HB2 PHE A 49 35.515 -72.153 -22.819 1.00 21.10 H new ATOM 0 HB3 PHE A 49 35.384 -72.758 -24.458 1.00 21.10 H new ATOM 0 HD1 PHE A 49 37.490 -72.587 -21.696 1.00 41.04 H new ATOM 0 HD2 PHE A 49 37.590 -72.251 -25.942 1.00 2.32 H new ATOM 0 HE1 PHE A 49 39.884 -73.141 -21.682 1.00 35.43 H new ATOM 0 HE2 PHE A 49 39.984 -72.806 -25.930 1.00 75.13 H new ATOM 0 HZ PHE A 49 41.135 -73.251 -23.799 1.00 52.53 H new ATOM 831 N ASN A 50 34.914 -71.421 -26.509 1.00 52.44 N ATOM 832 CA ASN A 50 34.906 -71.479 -27.967 1.00 3.04 C ATOM 833 C ASN A 50 33.585 -70.958 -28.525 1.00 25.10 C ATOM 834 O ASN A 50 33.522 -69.860 -29.079 1.00 23.41 O ATOM 835 CB ASN A 50 35.143 -72.914 -28.442 1.00 2.05 C ATOM 836 CG ASN A 50 35.081 -73.041 -29.951 1.00 73.14 C ATOM 837 OD1 ASN A 50 34.233 -73.753 -30.491 1.00 2.50 O ATOM 838 ND2 ASN A 50 35.981 -72.350 -30.641 1.00 12.21 N ATOM 0 H ASN A 50 34.269 -72.069 -26.057 1.00 52.44 H new ATOM 0 HA ASN A 50 35.711 -70.844 -28.336 1.00 3.04 H new ATOM 0 HB2 ASN A 50 36.118 -73.254 -28.091 1.00 2.05 H new ATOM 0 HB3 ASN A 50 34.397 -73.570 -27.994 1.00 2.05 H new ATOM 0 HD21 ASN A 50 35.988 -72.396 -31.660 1.00 12.21 H new ATOM 0 HD22 ASN A 50 36.665 -71.773 -30.152 1.00 12.21 H new ATOM 845 N LYS A 51 32.532 -71.753 -28.375 1.00 75.20 N ATOM 846 CA LYS A 51 31.211 -71.373 -28.862 1.00 34.52 C ATOM 847 C LYS A 51 30.119 -71.883 -27.926 1.00 72.14 C ATOM 848 O LYS A 51 29.308 -71.107 -27.421 1.00 5.45 O ATOM 849 CB LYS A 51 30.987 -71.924 -30.272 1.00 55.21 C ATOM 850 CG LYS A 51 31.367 -70.949 -31.373 1.00 21.00 C ATOM 851 CD LYS A 51 32.732 -71.273 -31.958 1.00 34.23 C ATOM 852 CE LYS A 51 33.253 -70.134 -32.821 1.00 20.53 C ATOM 853 NZ LYS A 51 32.263 -69.724 -33.854 1.00 50.25 N ATOM 0 H LYS A 51 32.567 -72.665 -27.920 1.00 75.20 H new ATOM 0 HA LYS A 51 31.161 -70.285 -28.892 1.00 34.52 H new ATOM 0 HB2 LYS A 51 31.567 -72.839 -30.392 1.00 55.21 H new ATOM 0 HB3 LYS A 51 29.937 -72.195 -30.385 1.00 55.21 H new ATOM 0 HG2 LYS A 51 30.616 -70.979 -32.162 1.00 21.00 H new ATOM 0 HG3 LYS A 51 31.372 -69.934 -30.976 1.00 21.00 H new ATOM 0 HD2 LYS A 51 33.437 -71.471 -31.151 1.00 34.23 H new ATOM 0 HD3 LYS A 51 32.667 -72.183 -32.555 1.00 34.23 H new ATOM 0 HE2 LYS A 51 33.493 -69.279 -32.188 1.00 20.53 H new ATOM 0 HE3 LYS A 51 34.179 -70.441 -33.307 1.00 20.53 H new ATOM 0 HZ1 LYS A 51 32.713 -69.069 -34.525 1.00 50.25 H new ATOM 0 HZ2 LYS A 51 31.925 -70.565 -34.364 1.00 50.25 H new ATOM 0 HZ3 LYS A 51 31.458 -69.251 -33.395 1.00 50.25 H new ATOM 867 N VAL A 52 30.104 -73.193 -27.699 1.00 40.24 N ATOM 868 CA VAL A 52 29.113 -73.806 -26.823 1.00 4.45 C ATOM 869 C VAL A 52 27.767 -73.099 -26.935 1.00 44.43 C ATOM 870 O VAL A 52 27.415 -72.272 -26.093 1.00 75.12 O ATOM 871 CB VAL A 52 29.573 -73.780 -25.353 1.00 33.14 C ATOM 872 CG1 VAL A 52 28.504 -74.376 -24.449 1.00 24.33 C ATOM 873 CG2 VAL A 52 30.891 -74.522 -25.194 1.00 45.30 C ATOM 0 H VAL A 52 30.767 -73.850 -28.110 1.00 40.24 H new ATOM 0 HA VAL A 52 29.003 -74.842 -27.145 1.00 4.45 H new ATOM 0 HB VAL A 52 29.729 -72.743 -25.057 1.00 33.14 H new ATOM 0 HG11 VAL A 52 28.846 -74.349 -23.414 1.00 24.33 H new ATOM 0 HG12 VAL A 52 27.585 -73.798 -24.542 1.00 24.33 H new ATOM 0 HG13 VAL A 52 28.314 -75.409 -24.742 1.00 24.33 H new ATOM 0 HG21 VAL A 52 31.201 -74.493 -24.149 1.00 45.30 H new ATOM 0 HG22 VAL A 52 30.765 -75.558 -25.507 1.00 45.30 H new ATOM 0 HG23 VAL A 52 31.653 -74.047 -25.812 1.00 45.30 H new ATOM 883 N THR A 53 27.017 -73.429 -27.982 1.00 63.01 N ATOM 884 CA THR A 53 25.710 -72.826 -28.206 1.00 52.33 C ATOM 885 C THR A 53 24.620 -73.580 -27.454 1.00 33.50 C ATOM 886 O THR A 53 23.572 -73.019 -27.130 1.00 22.31 O ATOM 887 CB THR A 53 25.355 -72.794 -29.705 1.00 3.31 C ATOM 888 OG1 THR A 53 26.540 -72.595 -30.484 1.00 60.34 O ATOM 889 CG2 THR A 53 24.356 -71.686 -30.001 1.00 51.21 C ATOM 0 H THR A 53 27.293 -74.111 -28.688 1.00 63.01 H new ATOM 0 HA THR A 53 25.766 -71.804 -27.831 1.00 52.33 H new ATOM 0 HB THR A 53 24.902 -73.750 -29.969 1.00 3.31 H new ATOM 0 HG1 THR A 53 26.307 -72.577 -31.436 1.00 60.34 H new ATOM 0 HG21 THR A 53 24.121 -71.683 -31.065 1.00 51.21 H new ATOM 0 HG22 THR A 53 23.444 -71.856 -29.428 1.00 51.21 H new ATOM 0 HG23 THR A 53 24.786 -70.724 -29.722 1.00 51.21 H new ATOM 897 N LEU A 54 24.872 -74.855 -27.178 1.00 61.20 N ATOM 898 CA LEU A 54 23.912 -75.688 -26.462 1.00 54.31 C ATOM 899 C LEU A 54 23.464 -75.013 -25.169 1.00 74.44 C ATOM 900 O LEU A 54 22.336 -75.205 -24.716 1.00 73.32 O ATOM 901 CB LEU A 54 24.523 -77.055 -26.152 1.00 44.00 C ATOM 902 CG LEU A 54 24.388 -78.115 -27.246 1.00 41.42 C ATOM 903 CD1 LEU A 54 24.921 -77.587 -28.569 1.00 53.32 C ATOM 904 CD2 LEU A 54 25.116 -79.390 -26.847 1.00 3.33 C ATOM 0 H LEU A 54 25.733 -75.335 -27.439 1.00 61.20 H new ATOM 0 HA LEU A 54 23.039 -75.824 -27.101 1.00 54.31 H new ATOM 0 HB2 LEU A 54 25.583 -76.917 -25.937 1.00 44.00 H new ATOM 0 HB3 LEU A 54 24.061 -77.439 -25.243 1.00 44.00 H new ATOM 0 HG LEU A 54 23.331 -78.348 -27.370 1.00 41.42 H new ATOM 0 HD11 LEU A 54 24.817 -78.355 -29.336 1.00 53.32 H new ATOM 0 HD12 LEU A 54 24.356 -76.702 -28.862 1.00 53.32 H new ATOM 0 HD13 LEU A 54 25.973 -77.325 -28.459 1.00 53.32 H new ATOM 0 HD21 LEU A 54 25.009 -80.133 -27.638 1.00 3.33 H new ATOM 0 HD22 LEU A 54 26.173 -79.173 -26.694 1.00 3.33 H new ATOM 0 HD23 LEU A 54 24.688 -79.779 -25.923 1.00 3.33 H new ATOM 916 N ALA A 55 24.354 -74.221 -24.582 1.00 24.22 N ATOM 917 CA ALA A 55 24.049 -73.515 -23.344 1.00 3.12 C ATOM 918 C ALA A 55 22.775 -72.689 -23.483 1.00 2.32 C ATOM 919 O ALA A 55 21.990 -72.577 -22.541 1.00 23.52 O ATOM 920 CB ALA A 55 25.216 -72.625 -22.942 1.00 65.15 C ATOM 0 H ALA A 55 25.293 -74.052 -24.944 1.00 24.22 H new ATOM 0 HA ALA A 55 23.887 -74.257 -22.562 1.00 3.12 H new ATOM 0 HB1 ALA A 55 24.974 -72.104 -22.016 1.00 65.15 H new ATOM 0 HB2 ALA A 55 26.106 -73.237 -22.792 1.00 65.15 H new ATOM 0 HB3 ALA A 55 25.406 -71.896 -23.730 1.00 65.15 H new ATOM 926 N ASP A 56 22.576 -72.111 -24.662 1.00 42.22 N ATOM 927 CA ASP A 56 21.397 -71.295 -24.924 1.00 54.54 C ATOM 928 C ASP A 56 20.314 -72.112 -25.623 1.00 4.01 C ATOM 929 O ASP A 56 19.126 -71.812 -25.510 1.00 23.44 O ATOM 930 CB ASP A 56 21.769 -70.082 -25.779 1.00 72.02 C ATOM 931 CG ASP A 56 22.916 -69.287 -25.188 1.00 23.11 C ATOM 932 OD1 ASP A 56 22.986 -69.179 -23.945 1.00 73.25 O ATOM 933 OD2 ASP A 56 23.746 -68.774 -25.967 1.00 54.45 O ATOM 0 H ASP A 56 23.216 -72.193 -25.452 1.00 42.22 H new ATOM 0 HA ASP A 56 21.006 -70.949 -23.967 1.00 54.54 H new ATOM 0 HB2 ASP A 56 22.041 -70.416 -26.780 1.00 72.02 H new ATOM 0 HB3 ASP A 56 20.898 -69.435 -25.884 1.00 72.02 H new ATOM 938 N ALA A 57 20.734 -73.145 -26.346 1.00 45.10 N ATOM 939 CA ALA A 57 19.801 -74.006 -27.062 1.00 45.11 C ATOM 940 C ALA A 57 18.846 -74.701 -26.098 1.00 73.14 C ATOM 941 O ALA A 57 17.789 -75.187 -26.499 1.00 61.23 O ATOM 942 CB ALA A 57 20.560 -75.033 -27.889 1.00 71.42 C ATOM 0 H ALA A 57 21.714 -73.406 -26.451 1.00 45.10 H new ATOM 0 HA ALA A 57 19.209 -73.382 -27.732 1.00 45.11 H new ATOM 0 HB1 ALA A 57 19.851 -75.669 -28.419 1.00 71.42 H new ATOM 0 HB2 ALA A 57 21.197 -74.521 -28.610 1.00 71.42 H new ATOM 0 HB3 ALA A 57 21.177 -75.646 -27.231 1.00 71.42 H new ATOM 948 N GLY A 58 19.225 -74.745 -24.825 1.00 32.14 N ATOM 949 CA GLY A 58 18.390 -75.384 -23.824 1.00 2.21 C ATOM 950 C GLY A 58 17.085 -74.646 -23.600 1.00 42.24 C ATOM 951 O GLY A 58 16.155 -75.183 -23.000 1.00 34.34 O ATOM 0 H GLY A 58 20.095 -74.350 -24.468 1.00 32.14 H new ATOM 0 HA2 GLY A 58 18.177 -76.407 -24.133 1.00 2.21 H new ATOM 0 HA3 GLY A 58 18.937 -75.443 -22.883 1.00 2.21 H new ATOM 955 N PHE A 59 17.016 -73.410 -24.083 1.00 41.33 N ATOM 956 CA PHE A 59 15.816 -72.595 -23.931 1.00 22.24 C ATOM 957 C PHE A 59 14.591 -73.324 -24.476 1.00 23.05 C ATOM 958 O PHE A 59 13.466 -73.076 -24.045 1.00 13.43 O ATOM 959 CB PHE A 59 15.988 -71.256 -24.650 1.00 4.32 C ATOM 960 CG PHE A 59 15.762 -71.338 -26.132 1.00 45.14 C ATOM 961 CD1 PHE A 59 14.789 -70.563 -26.742 1.00 43.13 C ATOM 962 CD2 PHE A 59 16.523 -72.191 -26.916 1.00 40.31 C ATOM 963 CE1 PHE A 59 14.579 -70.636 -28.107 1.00 1.25 C ATOM 964 CE2 PHE A 59 16.318 -72.268 -28.281 1.00 13.43 C ATOM 965 CZ PHE A 59 15.344 -71.490 -28.876 1.00 73.25 C ATOM 0 H PHE A 59 17.777 -72.951 -24.583 1.00 41.33 H new ATOM 0 HA PHE A 59 15.665 -72.411 -22.867 1.00 22.24 H new ATOM 0 HB2 PHE A 59 15.293 -70.532 -24.224 1.00 4.32 H new ATOM 0 HB3 PHE A 59 16.994 -70.880 -24.464 1.00 4.32 H new ATOM 0 HD1 PHE A 59 14.187 -69.894 -26.145 1.00 43.13 H new ATOM 0 HD2 PHE A 59 17.285 -72.802 -26.455 1.00 40.31 H new ATOM 0 HE1 PHE A 59 13.818 -70.026 -28.571 1.00 1.25 H new ATOM 0 HE2 PHE A 59 16.918 -72.935 -28.881 1.00 13.43 H new ATOM 0 HZ PHE A 59 15.181 -71.550 -29.942 1.00 73.25 H new ATOM 975 N MET A 60 14.820 -74.224 -25.426 1.00 61.21 N ATOM 976 CA MET A 60 13.736 -74.990 -26.030 1.00 13.11 C ATOM 977 C MET A 60 12.919 -75.711 -24.962 1.00 40.31 C ATOM 978 O MET A 60 11.726 -75.958 -25.140 1.00 21.02 O ATOM 979 CB MET A 60 14.294 -76.002 -27.032 1.00 20.53 C ATOM 980 CG MET A 60 15.167 -77.070 -26.394 1.00 25.45 C ATOM 981 SD MET A 60 14.274 -78.606 -26.086 1.00 12.15 S ATOM 982 CE MET A 60 15.049 -79.694 -27.278 1.00 63.03 C ATOM 0 H MET A 60 15.746 -74.441 -25.794 1.00 61.21 H new ATOM 0 HA MET A 60 13.081 -74.294 -26.555 1.00 13.11 H new ATOM 0 HB2 MET A 60 13.465 -76.484 -27.550 1.00 20.53 H new ATOM 0 HB3 MET A 60 14.875 -75.472 -27.786 1.00 20.53 H new ATOM 0 HG2 MET A 60 16.018 -77.273 -27.044 1.00 25.45 H new ATOM 0 HG3 MET A 60 15.567 -76.692 -25.453 1.00 25.45 H new ATOM 0 HE1 MET A 60 14.602 -80.686 -27.209 1.00 63.03 H new ATOM 0 HE2 MET A 60 14.901 -79.298 -28.283 1.00 63.03 H new ATOM 0 HE3 MET A 60 16.117 -79.762 -27.069 1.00 63.03 H new ATOM 992 N LYS A 61 13.569 -76.046 -23.853 1.00 32.13 N ATOM 993 CA LYS A 61 12.903 -76.738 -22.755 1.00 43.12 C ATOM 994 C LYS A 61 11.668 -75.969 -22.296 1.00 44.04 C ATOM 995 O LYS A 61 10.691 -76.562 -21.843 1.00 34.55 O ATOM 996 CB LYS A 61 13.868 -76.922 -21.581 1.00 51.44 C ATOM 997 CG LYS A 61 13.399 -77.947 -20.564 1.00 24.41 C ATOM 998 CD LYS A 61 14.183 -77.844 -19.266 1.00 63.14 C ATOM 999 CE LYS A 61 13.537 -76.863 -18.301 1.00 54.41 C ATOM 1000 NZ LYS A 61 13.952 -75.459 -18.576 1.00 21.21 N ATOM 0 H LYS A 61 14.557 -75.850 -23.690 1.00 32.13 H new ATOM 0 HA LYS A 61 12.587 -77.717 -23.114 1.00 43.12 H new ATOM 0 HB2 LYS A 61 14.842 -77.224 -21.966 1.00 51.44 H new ATOM 0 HB3 LYS A 61 14.006 -75.963 -21.081 1.00 51.44 H new ATOM 0 HG2 LYS A 61 12.338 -77.801 -20.362 1.00 24.41 H new ATOM 0 HG3 LYS A 61 13.510 -78.949 -20.978 1.00 24.41 H new ATOM 0 HD2 LYS A 61 14.246 -78.827 -18.799 1.00 63.14 H new ATOM 0 HD3 LYS A 61 15.203 -77.527 -19.480 1.00 63.14 H new ATOM 0 HE2 LYS A 61 12.452 -76.942 -18.375 1.00 54.41 H new ATOM 0 HE3 LYS A 61 13.807 -77.128 -17.279 1.00 54.41 H new ATOM 0 HZ1 LYS A 61 13.944 -74.915 -17.690 1.00 21.21 H new ATOM 0 HZ2 LYS A 61 14.911 -75.453 -18.977 1.00 21.21 H new ATOM 0 HZ3 LYS A 61 13.291 -75.028 -19.253 1.00 21.21 H new ATOM 1014 N GLN A 62 11.721 -74.647 -22.420 1.00 13.45 N ATOM 1015 CA GLN A 62 10.605 -73.798 -22.018 1.00 2.22 C ATOM 1016 C GLN A 62 9.358 -74.115 -22.836 1.00 51.43 C ATOM 1017 O GLN A 62 8.234 -73.918 -22.374 1.00 74.23 O ATOM 1018 CB GLN A 62 10.975 -72.323 -22.180 1.00 42.52 C ATOM 1019 CG GLN A 62 10.228 -71.400 -21.231 1.00 55.23 C ATOM 1020 CD GLN A 62 10.911 -71.269 -19.885 1.00 5.03 C ATOM 1021 OE1 GLN A 62 11.121 -72.259 -19.183 1.00 15.11 O ATOM 1022 NE2 GLN A 62 11.265 -70.043 -19.516 1.00 73.04 N ATOM 0 H GLN A 62 12.523 -74.141 -22.795 1.00 13.45 H new ATOM 0 HA GLN A 62 10.389 -73.998 -20.968 1.00 2.22 H new ATOM 0 HB2 GLN A 62 12.047 -72.206 -22.019 1.00 42.52 H new ATOM 0 HB3 GLN A 62 10.772 -72.017 -23.206 1.00 42.52 H new ATOM 0 HG2 GLN A 62 10.138 -70.414 -21.686 1.00 55.23 H new ATOM 0 HG3 GLN A 62 9.216 -71.777 -21.085 1.00 55.23 H new ATOM 0 HE21 GLN A 62 11.072 -69.250 -20.128 1.00 73.04 H new ATOM 0 HE22 GLN A 62 11.730 -69.894 -18.620 1.00 73.04 H new ATOM 1031 N TYR A 63 9.564 -74.605 -24.054 1.00 10.15 N ATOM 1032 CA TYR A 63 8.456 -74.946 -24.938 1.00 30.23 C ATOM 1033 C TYR A 63 7.461 -75.865 -24.235 1.00 0.42 C ATOM 1034 O TYR A 63 6.250 -75.734 -24.406 1.00 52.12 O ATOM 1035 CB TYR A 63 8.978 -75.619 -26.208 1.00 45.12 C ATOM 1036 CG TYR A 63 7.977 -75.635 -27.341 1.00 11.42 C ATOM 1037 CD1 TYR A 63 7.849 -74.547 -28.196 1.00 41.11 C ATOM 1038 CD2 TYR A 63 7.158 -76.736 -27.555 1.00 71.22 C ATOM 1039 CE1 TYR A 63 6.935 -74.556 -29.232 1.00 31.31 C ATOM 1040 CE2 TYR A 63 6.242 -76.755 -28.589 1.00 41.12 C ATOM 1041 CZ TYR A 63 6.134 -75.663 -29.425 1.00 2.34 C ATOM 1042 OH TYR A 63 5.222 -75.677 -30.455 1.00 1.01 O ATOM 0 H TYR A 63 10.488 -74.775 -24.451 1.00 10.15 H new ATOM 0 HA TYR A 63 7.943 -74.023 -25.208 1.00 30.23 H new ATOM 0 HB2 TYR A 63 9.879 -75.103 -26.538 1.00 45.12 H new ATOM 0 HB3 TYR A 63 9.265 -76.644 -25.974 1.00 45.12 H new ATOM 0 HD1 TYR A 63 8.475 -73.679 -28.048 1.00 41.11 H new ATOM 0 HD2 TYR A 63 7.239 -77.592 -26.902 1.00 71.22 H new ATOM 0 HE1 TYR A 63 6.848 -73.702 -29.887 1.00 31.31 H new ATOM 0 HE2 TYR A 63 5.614 -77.620 -28.742 1.00 41.12 H new ATOM 0 HH TYR A 63 4.739 -76.530 -30.453 1.00 1.01 H new ATOM 1052 N GLY A 64 7.983 -76.795 -23.441 1.00 70.11 N ATOM 1053 CA GLY A 64 7.128 -77.722 -22.723 1.00 21.11 C ATOM 1054 C GLY A 64 6.246 -78.535 -23.650 1.00 44.11 C ATOM 1055 O GLY A 64 6.743 -79.313 -24.464 1.00 54.22 O ATOM 0 H GLY A 64 8.982 -76.923 -23.282 1.00 70.11 H new ATOM 0 HA2 GLY A 64 7.746 -78.397 -22.130 1.00 21.11 H new ATOM 0 HA3 GLY A 64 6.502 -77.167 -22.025 1.00 21.11 H new ATOM 1059 N GLU A 65 4.935 -78.356 -23.525 1.00 41.45 N ATOM 1060 CA GLU A 65 3.983 -79.081 -24.358 1.00 70.31 C ATOM 1061 C GLU A 65 2.694 -78.284 -24.532 1.00 52.51 C ATOM 1062 O GLU A 65 2.590 -77.146 -24.076 1.00 4.54 O ATOM 1063 CB GLU A 65 3.671 -80.447 -23.743 1.00 64.32 C ATOM 1064 CG GLU A 65 2.757 -81.306 -24.600 1.00 62.45 C ATOM 1065 CD GLU A 65 1.288 -81.038 -24.337 1.00 2.00 C ATOM 1066 OE1 GLU A 65 0.443 -81.618 -25.050 1.00 34.33 O ATOM 1067 OE2 GLU A 65 0.984 -80.248 -23.419 1.00 62.00 O ATOM 0 H GLU A 65 4.508 -77.716 -22.855 1.00 41.45 H new ATOM 0 HA GLU A 65 4.435 -79.226 -25.339 1.00 70.31 H new ATOM 0 HB2 GLU A 65 4.606 -80.982 -23.574 1.00 64.32 H new ATOM 0 HB3 GLU A 65 3.208 -80.300 -22.767 1.00 64.32 H new ATOM 0 HG2 GLU A 65 2.973 -81.122 -25.652 1.00 62.45 H new ATOM 0 HG3 GLU A 65 2.970 -82.358 -24.410 1.00 62.45 H new TER 1074 GLU A 65