USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 723 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 41 LYS NZ :NH3+ -134:sc= -0.2 (180deg=-3.78!) USER MOD Set 1.2: A 92 THR OG1 : rot 160:sc= -0.183 USER MOD Set 2.1: A 78 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 79 HIS : no HE2:sc= 0.48 K(o=0.48,f=-1.5!) USER MOD Set 3.1: A 67 SER OG : rot -75:sc= 0.0581 USER MOD Set 3.2: A 68 ASN : amide:sc= -1.05 K(o=-1.6,f=-3.1!) USER MOD Set 3.3: A 71 GLN : amide:sc= -0.601 K(o=-1.6,f=-2.9!) USER MOD Set 4.1: A 53 LYS NZ :NH3+ 169:sc= 0.135 (180deg=0) USER MOD Set 4.2: A 54 THR OG1 : rot -150:sc= -0.687 USER MOD Set 5.1: A 37 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 38 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 22 SER OG : rot -125:sc= 0.036 USER MOD Set 6.2: A 24 SER OG : rot 180:sc= 0.127 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0 (180deg=-0.0452) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 HIS : no HD1:sc=-0.00203 X(o=-0.002,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.197 X(o=-0.2,f=-0.0081) USER MOD Single : A 6 HIS : no HE2:sc= -0.112 K(o=-0.11,f=-0.77) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -31:sc= 0.484 USER MOD Single : A 13 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 HIS : no HD1:sc= -0.0172 X(o=-0.017,f=-0.0034) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 28:sc= 0.169 USER MOD Single : A 40 LYS NZ :NH3+ -167:sc= 0.229 (180deg=0.167) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.362 X(o=-0.36,f=-0.7) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -28:sc= 0.224 USER MOD Single : A 70 LYS NZ :NH3+ -169:sc= -0.0147 (180deg=-0.157) USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.114 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 0.156 K(o=0.16,f=-0.7) USER MOD Single : A 91 THR OG1 : rot -30:sc= 0.638 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -4:sc= 0.807 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 46.199 14.818 -11.907 1.00 0.00 N ATOM 2 CA MET A 1 45.182 13.780 -12.192 1.00 0.00 C ATOM 3 C MET A 1 43.776 14.389 -12.021 1.00 0.00 C ATOM 4 O MET A 1 43.388 14.759 -10.902 1.00 0.00 O ATOM 5 CB MET A 1 45.368 12.557 -11.255 1.00 0.00 C ATOM 6 CG MET A 1 46.767 11.923 -11.289 1.00 0.00 C ATOM 7 SD MET A 1 47.258 11.381 -12.946 1.00 0.00 S ATOM 8 CE MET A 1 48.891 10.700 -12.639 1.00 0.00 C ATOM 0 H1 MET A 1 47.146 14.444 -12.119 1.00 0.00 H new ATOM 0 H2 MET A 1 46.017 15.654 -12.498 1.00 0.00 H new ATOM 0 H3 MET A 1 46.149 15.086 -10.903 1.00 0.00 H new ATOM 0 HA MET A 1 45.301 13.432 -13.218 1.00 0.00 H new ATOM 0 HB2 MET A 1 45.149 12.865 -10.232 1.00 0.00 H new ATOM 0 HB3 MET A 1 44.634 11.797 -11.523 1.00 0.00 H new ATOM 0 HG2 MET A 1 47.496 12.644 -10.918 1.00 0.00 H new ATOM 0 HG3 MET A 1 46.790 11.069 -10.612 1.00 0.00 H new ATOM 0 HE1 MET A 1 49.312 10.329 -13.573 1.00 0.00 H new ATOM 0 HE2 MET A 1 49.539 11.477 -12.232 1.00 0.00 H new ATOM 0 HE3 MET A 1 48.815 9.880 -11.925 1.00 0.00 H new ATOM 20 N HIS A 2 43.038 14.502 -13.145 1.00 0.00 N ATOM 21 CA HIS A 2 41.687 15.083 -13.195 1.00 0.00 C ATOM 22 C HIS A 2 41.080 14.854 -14.595 1.00 0.00 C ATOM 23 O HIS A 2 41.425 15.561 -15.550 1.00 0.00 O ATOM 24 CB HIS A 2 41.721 16.601 -12.858 1.00 0.00 C ATOM 25 CG HIS A 2 40.365 17.249 -12.743 1.00 0.00 C ATOM 26 ND1 HIS A 2 39.916 18.223 -13.608 1.00 0.00 N ATOM 27 CD2 HIS A 2 39.372 17.075 -11.836 1.00 0.00 C ATOM 28 CE1 HIS A 2 38.715 18.619 -13.239 1.00 0.00 C ATOM 29 NE2 HIS A 2 38.361 17.941 -12.169 1.00 0.00 N ATOM 0 H HIS A 2 43.372 14.186 -14.055 1.00 0.00 H new ATOM 0 HA HIS A 2 41.065 14.590 -12.448 1.00 0.00 H new ATOM 0 HB2 HIS A 2 42.256 16.739 -11.918 1.00 0.00 H new ATOM 0 HB3 HIS A 2 42.292 17.118 -13.629 1.00 0.00 H new ATOM 0 HD2 HIS A 2 39.376 16.384 -11.006 1.00 0.00 H new ATOM 0 HE1 HIS A 2 38.121 19.374 -13.732 1.00 0.00 H new ATOM 0 HE2 HIS A 2 37.478 18.042 -11.668 1.00 0.00 H new ATOM 38 N HIS A 3 40.215 13.835 -14.719 1.00 0.00 N ATOM 39 CA HIS A 3 39.452 13.550 -15.960 1.00 0.00 C ATOM 40 C HIS A 3 37.943 13.534 -15.662 1.00 0.00 C ATOM 41 O HIS A 3 37.510 13.035 -14.617 1.00 0.00 O ATOM 42 CB HIS A 3 39.875 12.198 -16.607 1.00 0.00 C ATOM 43 CG HIS A 3 41.270 12.165 -17.176 1.00 0.00 C ATOM 44 ND1 HIS A 3 42.053 11.028 -17.188 1.00 0.00 N ATOM 45 CD2 HIS A 3 42.003 13.122 -17.795 1.00 0.00 C ATOM 46 CE1 HIS A 3 43.202 11.289 -17.783 1.00 0.00 C ATOM 47 NE2 HIS A 3 43.195 12.551 -18.160 1.00 0.00 N ATOM 0 H HIS A 3 40.019 13.179 -13.963 1.00 0.00 H new ATOM 0 HA HIS A 3 39.678 14.345 -16.671 1.00 0.00 H new ATOM 0 HB2 HIS A 3 39.788 11.412 -15.857 1.00 0.00 H new ATOM 0 HB3 HIS A 3 39.170 11.959 -17.403 1.00 0.00 H new ATOM 0 HD2 HIS A 3 41.704 14.145 -17.969 1.00 0.00 H new ATOM 0 HE1 HIS A 3 44.009 10.588 -17.935 1.00 0.00 H new ATOM 0 HE2 HIS A 3 43.955 13.027 -18.646 1.00 0.00 H new ATOM 56 N HIS A 4 37.147 14.068 -16.604 1.00 0.00 N ATOM 57 CA HIS A 4 35.680 14.137 -16.483 1.00 0.00 C ATOM 58 C HIS A 4 35.052 12.887 -17.124 1.00 0.00 C ATOM 59 O HIS A 4 34.656 12.908 -18.299 1.00 0.00 O ATOM 60 CB HIS A 4 35.140 15.423 -17.160 1.00 0.00 C ATOM 61 CG HIS A 4 35.664 16.710 -16.590 1.00 0.00 C ATOM 62 ND1 HIS A 4 36.786 17.348 -17.069 1.00 0.00 N ATOM 63 CD2 HIS A 4 35.196 17.484 -15.587 1.00 0.00 C ATOM 64 CE1 HIS A 4 36.981 18.457 -16.390 1.00 0.00 C ATOM 65 NE2 HIS A 4 36.032 18.564 -15.481 1.00 0.00 N ATOM 0 H HIS A 4 37.504 14.465 -17.473 1.00 0.00 H new ATOM 0 HA HIS A 4 35.410 14.171 -15.427 1.00 0.00 H new ATOM 0 HB2 HIS A 4 35.385 15.387 -18.221 1.00 0.00 H new ATOM 0 HB3 HIS A 4 34.053 15.426 -17.084 1.00 0.00 H new ATOM 0 HD2 HIS A 4 34.324 17.288 -14.981 1.00 0.00 H new ATOM 0 HE1 HIS A 4 37.784 19.162 -16.550 1.00 0.00 H new ATOM 0 HE2 HIS A 4 35.936 19.326 -14.809 1.00 0.00 H new ATOM 74 N HIS A 5 35.045 11.771 -16.372 1.00 0.00 N ATOM 75 CA HIS A 5 34.411 10.517 -16.822 1.00 0.00 C ATOM 76 C HIS A 5 32.901 10.555 -16.514 1.00 0.00 C ATOM 77 O HIS A 5 32.490 10.719 -15.354 1.00 0.00 O ATOM 78 CB HIS A 5 35.099 9.267 -16.202 1.00 0.00 C ATOM 79 CG HIS A 5 35.057 9.154 -14.696 1.00 0.00 C ATOM 80 ND1 HIS A 5 34.318 8.194 -14.039 1.00 0.00 N ATOM 81 CD2 HIS A 5 35.713 9.841 -13.729 1.00 0.00 C ATOM 82 CE1 HIS A 5 34.525 8.291 -12.743 1.00 0.00 C ATOM 83 NE2 HIS A 5 35.366 9.282 -12.526 1.00 0.00 N ATOM 0 H HIS A 5 35.472 11.712 -15.448 1.00 0.00 H new ATOM 0 HA HIS A 5 34.540 10.432 -17.901 1.00 0.00 H new ATOM 0 HB2 HIS A 5 34.634 8.376 -16.624 1.00 0.00 H new ATOM 0 HB3 HIS A 5 36.143 9.261 -16.516 1.00 0.00 H new ATOM 0 HD2 HIS A 5 36.384 10.674 -13.878 1.00 0.00 H new ATOM 0 HE1 HIS A 5 34.080 7.664 -11.985 1.00 0.00 H new ATOM 0 HE2 HIS A 5 35.704 9.584 -11.612 1.00 0.00 H new ATOM 92 N HIS A 6 32.088 10.447 -17.575 1.00 0.00 N ATOM 93 CA HIS A 6 30.617 10.484 -17.491 1.00 0.00 C ATOM 94 C HIS A 6 30.034 9.599 -18.604 1.00 0.00 C ATOM 95 O HIS A 6 30.580 9.564 -19.719 1.00 0.00 O ATOM 96 CB HIS A 6 30.107 11.948 -17.627 1.00 0.00 C ATOM 97 CG HIS A 6 28.614 12.117 -17.470 1.00 0.00 C ATOM 98 ND1 HIS A 6 27.728 11.986 -18.515 1.00 0.00 N ATOM 99 CD2 HIS A 6 27.859 12.406 -16.384 1.00 0.00 C ATOM 100 CE1 HIS A 6 26.500 12.181 -18.079 1.00 0.00 C ATOM 101 NE2 HIS A 6 26.549 12.436 -16.789 1.00 0.00 N ATOM 0 H HIS A 6 32.435 10.330 -18.527 1.00 0.00 H new ATOM 0 HA HIS A 6 30.292 10.105 -16.522 1.00 0.00 H new ATOM 0 HB2 HIS A 6 30.608 12.563 -16.880 1.00 0.00 H new ATOM 0 HB3 HIS A 6 30.401 12.331 -18.604 1.00 0.00 H new ATOM 0 HD1 HIS A 6 27.983 11.771 -19.479 1.00 0.00 H new ATOM 0 HD2 HIS A 6 28.222 12.581 -15.382 1.00 0.00 H new ATOM 0 HE1 HIS A 6 25.603 12.139 -18.680 1.00 0.00 H new ATOM 110 N HIS A 7 28.934 8.882 -18.296 1.00 0.00 N ATOM 111 CA HIS A 7 28.236 8.033 -19.276 1.00 0.00 C ATOM 112 C HIS A 7 27.632 8.900 -20.395 1.00 0.00 C ATOM 113 O HIS A 7 26.843 9.807 -20.117 1.00 0.00 O ATOM 114 CB HIS A 7 27.127 7.191 -18.593 1.00 0.00 C ATOM 115 CG HIS A 7 27.622 6.156 -17.614 1.00 0.00 C ATOM 116 ND1 HIS A 7 27.384 6.224 -16.259 1.00 0.00 N ATOM 117 CD2 HIS A 7 28.302 5.002 -17.813 1.00 0.00 C ATOM 118 CE1 HIS A 7 27.894 5.161 -15.668 1.00 0.00 C ATOM 119 NE2 HIS A 7 28.455 4.404 -16.587 1.00 0.00 N ATOM 0 H HIS A 7 28.510 8.876 -17.369 1.00 0.00 H new ATOM 0 HA HIS A 7 28.963 7.348 -19.711 1.00 0.00 H new ATOM 0 HB2 HIS A 7 26.448 7.866 -18.072 1.00 0.00 H new ATOM 0 HB3 HIS A 7 26.546 6.689 -19.366 1.00 0.00 H new ATOM 0 HD2 HIS A 7 28.658 4.623 -18.760 1.00 0.00 H new ATOM 0 HE1 HIS A 7 27.858 4.948 -14.610 1.00 0.00 H new ATOM 0 HE2 HIS A 7 28.927 3.516 -16.416 1.00 0.00 H new ATOM 128 N SER A 8 28.040 8.623 -21.652 1.00 0.00 N ATOM 129 CA SER A 8 27.550 9.338 -22.848 1.00 0.00 C ATOM 130 C SER A 8 26.011 9.219 -22.965 1.00 0.00 C ATOM 131 O SER A 8 25.336 10.186 -23.340 1.00 0.00 O ATOM 132 CB SER A 8 28.247 8.782 -24.109 1.00 0.00 C ATOM 133 OG SER A 8 29.661 8.859 -23.989 1.00 0.00 O ATOM 0 H SER A 8 28.721 7.894 -21.866 1.00 0.00 H new ATOM 0 HA SER A 8 27.793 10.396 -22.753 1.00 0.00 H new ATOM 0 HB2 SER A 8 27.948 7.746 -24.266 1.00 0.00 H new ATOM 0 HB3 SER A 8 27.922 9.344 -24.985 1.00 0.00 H new ATOM 0 HG SER A 8 30.078 8.499 -24.800 1.00 0.00 H new ATOM 139 N SER A 9 25.487 8.006 -22.644 1.00 0.00 N ATOM 140 CA SER A 9 24.040 7.731 -22.468 1.00 0.00 C ATOM 141 C SER A 9 23.211 8.040 -23.749 1.00 0.00 C ATOM 142 O SER A 9 21.980 8.169 -23.691 1.00 0.00 O ATOM 143 CB SER A 9 23.507 8.507 -21.220 1.00 0.00 C ATOM 144 OG SER A 9 22.165 8.154 -20.898 1.00 0.00 O ATOM 0 H SER A 9 26.069 7.181 -22.499 1.00 0.00 H new ATOM 0 HA SER A 9 23.916 6.662 -22.294 1.00 0.00 H new ATOM 0 HB2 SER A 9 24.150 8.301 -20.364 1.00 0.00 H new ATOM 0 HB3 SER A 9 23.563 9.579 -21.410 1.00 0.00 H new ATOM 0 HG SER A 9 21.683 7.917 -21.718 1.00 0.00 H new ATOM 150 N GLY A 10 23.896 8.110 -24.902 1.00 0.00 N ATOM 151 CA GLY A 10 23.267 8.479 -26.161 1.00 0.00 C ATOM 152 C GLY A 10 24.095 8.051 -27.359 1.00 0.00 C ATOM 153 O GLY A 10 24.790 8.874 -27.970 1.00 0.00 O ATOM 0 H GLY A 10 24.894 7.912 -24.978 1.00 0.00 H new ATOM 0 HA2 GLY A 10 22.280 8.021 -26.221 1.00 0.00 H new ATOM 0 HA3 GLY A 10 23.120 9.559 -26.190 1.00 0.00 H new ATOM 157 N ARG A 11 24.044 6.746 -27.672 1.00 0.00 N ATOM 158 CA ARG A 11 24.663 6.181 -28.877 1.00 0.00 C ATOM 159 C ARG A 11 23.667 6.301 -30.047 1.00 0.00 C ATOM 160 O ARG A 11 22.740 5.493 -30.175 1.00 0.00 O ATOM 161 CB ARG A 11 25.066 4.702 -28.636 1.00 0.00 C ATOM 162 CG ARG A 11 25.765 4.015 -29.832 1.00 0.00 C ATOM 163 CD ARG A 11 26.043 2.531 -29.567 1.00 0.00 C ATOM 164 NE ARG A 11 24.793 1.800 -29.271 1.00 0.00 N ATOM 165 CZ ARG A 11 24.686 0.713 -28.498 1.00 0.00 C ATOM 166 NH1 ARG A 11 25.745 0.191 -27.896 1.00 0.00 N ATOM 167 NH2 ARG A 11 23.492 0.160 -28.320 1.00 0.00 N ATOM 0 H ARG A 11 23.570 6.053 -27.093 1.00 0.00 H new ATOM 0 HA ARG A 11 25.571 6.732 -29.121 1.00 0.00 H new ATOM 0 HB2 ARG A 11 25.729 4.657 -27.772 1.00 0.00 H new ATOM 0 HB3 ARG A 11 24.171 4.134 -28.381 1.00 0.00 H new ATOM 0 HG2 ARG A 11 25.141 4.113 -30.720 1.00 0.00 H new ATOM 0 HG3 ARG A 11 26.704 4.526 -30.044 1.00 0.00 H new ATOM 0 HD2 ARG A 11 26.530 2.088 -30.436 1.00 0.00 H new ATOM 0 HD3 ARG A 11 26.733 2.431 -28.729 1.00 0.00 H new ATOM 0 HE ARG A 11 23.936 2.156 -29.694 1.00 0.00 H new ATOM 0 HH11 ARG A 11 26.663 0.618 -28.018 1.00 0.00 H new ATOM 0 HH12 ARG A 11 25.642 -0.638 -27.311 1.00 0.00 H new ATOM 0 HH21 ARG A 11 22.671 0.564 -28.770 1.00 0.00 H new ATOM 0 HH22 ARG A 11 23.396 -0.669 -27.733 1.00 0.00 H new ATOM 181 N GLU A 12 23.847 7.349 -30.872 1.00 0.00 N ATOM 182 CA GLU A 12 22.943 7.669 -31.990 1.00 0.00 C ATOM 183 C GLU A 12 23.351 6.864 -33.245 1.00 0.00 C ATOM 184 O GLU A 12 23.982 7.391 -34.173 1.00 0.00 O ATOM 185 CB GLU A 12 22.967 9.205 -32.246 1.00 0.00 C ATOM 186 CG GLU A 12 21.936 9.723 -33.271 1.00 0.00 C ATOM 187 CD GLU A 12 22.064 11.234 -33.550 1.00 0.00 C ATOM 188 OE1 GLU A 12 21.516 12.047 -32.766 1.00 0.00 O ATOM 189 OE2 GLU A 12 22.709 11.616 -34.551 1.00 0.00 O ATOM 0 H GLU A 12 24.627 8.000 -30.781 1.00 0.00 H new ATOM 0 HA GLU A 12 21.921 7.385 -31.741 1.00 0.00 H new ATOM 0 HB2 GLU A 12 22.800 9.717 -31.298 1.00 0.00 H new ATOM 0 HB3 GLU A 12 23.964 9.484 -32.587 1.00 0.00 H new ATOM 0 HG2 GLU A 12 22.056 9.176 -34.206 1.00 0.00 H new ATOM 0 HG3 GLU A 12 20.931 9.511 -32.905 1.00 0.00 H new ATOM 196 N ASN A 13 23.037 5.556 -33.210 1.00 0.00 N ATOM 197 CA ASN A 13 23.335 4.573 -34.279 1.00 0.00 C ATOM 198 C ASN A 13 22.244 3.485 -34.262 1.00 0.00 C ATOM 199 O ASN A 13 22.092 2.777 -33.254 1.00 0.00 O ATOM 200 CB ASN A 13 24.730 3.896 -34.058 1.00 0.00 C ATOM 201 CG ASN A 13 25.937 4.800 -34.322 1.00 0.00 C ATOM 202 OD1 ASN A 13 25.922 5.656 -35.207 1.00 0.00 O ATOM 203 ND2 ASN A 13 26.996 4.614 -33.547 1.00 0.00 N ATOM 0 H ASN A 13 22.554 5.137 -32.415 1.00 0.00 H new ATOM 0 HA ASN A 13 23.355 5.094 -35.236 1.00 0.00 H new ATOM 0 HB2 ASN A 13 24.783 3.535 -33.031 1.00 0.00 H new ATOM 0 HB3 ASN A 13 24.800 3.023 -34.707 1.00 0.00 H new ATOM 0 HD21 ASN A 13 27.829 5.188 -33.675 1.00 0.00 H new ATOM 0 HD22 ASN A 13 26.978 3.897 -32.822 1.00 0.00 H new ATOM 210 N LEU A 14 21.461 3.387 -35.350 1.00 0.00 N ATOM 211 CA LEU A 14 20.497 2.281 -35.549 1.00 0.00 C ATOM 212 C LEU A 14 20.154 2.139 -37.031 1.00 0.00 C ATOM 213 O LEU A 14 20.111 3.137 -37.765 1.00 0.00 O ATOM 214 CB LEU A 14 19.174 2.475 -34.728 1.00 0.00 C ATOM 215 CG LEU A 14 18.030 3.348 -35.375 1.00 0.00 C ATOM 216 CD1 LEU A 14 16.709 3.200 -34.604 1.00 0.00 C ATOM 217 CD2 LEU A 14 18.435 4.833 -35.518 1.00 0.00 C ATOM 0 H LEU A 14 21.475 4.064 -36.113 1.00 0.00 H new ATOM 0 HA LEU A 14 20.982 1.375 -35.185 1.00 0.00 H new ATOM 0 HB2 LEU A 14 18.763 1.488 -34.516 1.00 0.00 H new ATOM 0 HB3 LEU A 14 19.437 2.923 -33.770 1.00 0.00 H new ATOM 0 HG LEU A 14 17.873 2.965 -36.383 1.00 0.00 H new ATOM 0 HD11 LEU A 14 15.942 3.814 -35.075 1.00 0.00 H new ATOM 0 HD12 LEU A 14 16.396 2.156 -34.616 1.00 0.00 H new ATOM 0 HD13 LEU A 14 16.851 3.525 -33.573 1.00 0.00 H new ATOM 0 HD21 LEU A 14 17.615 5.392 -35.968 1.00 0.00 H new ATOM 0 HD22 LEU A 14 18.659 5.246 -34.534 1.00 0.00 H new ATOM 0 HD23 LEU A 14 19.318 4.910 -36.153 1.00 0.00 H new ATOM 229 N TYR A 15 19.905 0.901 -37.468 1.00 0.00 N ATOM 230 CA TYR A 15 19.347 0.615 -38.795 1.00 0.00 C ATOM 231 C TYR A 15 18.195 -0.376 -38.648 1.00 0.00 C ATOM 232 O TYR A 15 18.388 -1.589 -38.519 1.00 0.00 O ATOM 233 CB TYR A 15 20.437 0.130 -39.795 1.00 0.00 C ATOM 234 CG TYR A 15 21.187 1.295 -40.452 1.00 0.00 C ATOM 235 CD1 TYR A 15 22.130 2.029 -39.740 1.00 0.00 C ATOM 236 CD2 TYR A 15 20.903 1.700 -41.762 1.00 0.00 C ATOM 237 CE1 TYR A 15 22.761 3.127 -40.292 1.00 0.00 C ATOM 238 CE2 TYR A 15 21.539 2.790 -42.329 1.00 0.00 C ATOM 239 CZ TYR A 15 22.465 3.505 -41.591 1.00 0.00 C ATOM 240 OH TYR A 15 23.073 4.618 -42.143 1.00 0.00 O ATOM 0 H TYR A 15 20.085 0.066 -36.911 1.00 0.00 H new ATOM 0 HA TYR A 15 18.955 1.536 -39.226 1.00 0.00 H new ATOM 0 HB2 TYR A 15 21.149 -0.508 -39.271 1.00 0.00 H new ATOM 0 HB3 TYR A 15 19.971 -0.481 -40.568 1.00 0.00 H new ATOM 0 HD1 TYR A 15 22.375 1.733 -38.731 1.00 0.00 H new ATOM 0 HD2 TYR A 15 20.174 1.151 -42.340 1.00 0.00 H new ATOM 0 HE1 TYR A 15 23.481 3.687 -39.714 1.00 0.00 H new ATOM 0 HE2 TYR A 15 21.313 3.082 -43.344 1.00 0.00 H new ATOM 0 HH TYR A 15 22.755 4.743 -43.062 1.00 0.00 H new ATOM 250 N PHE A 16 16.983 0.194 -38.655 1.00 0.00 N ATOM 251 CA PHE A 16 15.710 -0.530 -38.506 1.00 0.00 C ATOM 252 C PHE A 16 15.254 -1.158 -39.848 1.00 0.00 C ATOM 253 O PHE A 16 14.123 -1.646 -39.958 1.00 0.00 O ATOM 254 CB PHE A 16 14.632 0.449 -37.943 1.00 0.00 C ATOM 255 CG PHE A 16 14.249 1.608 -38.872 1.00 0.00 C ATOM 256 CD1 PHE A 16 15.095 2.710 -39.037 1.00 0.00 C ATOM 257 CD2 PHE A 16 13.039 1.605 -39.576 1.00 0.00 C ATOM 258 CE1 PHE A 16 14.748 3.758 -39.872 1.00 0.00 C ATOM 259 CE2 PHE A 16 12.697 2.656 -40.409 1.00 0.00 C ATOM 260 CZ PHE A 16 13.551 3.730 -40.556 1.00 0.00 C ATOM 0 H PHE A 16 16.855 1.200 -38.768 1.00 0.00 H new ATOM 0 HA PHE A 16 15.848 -1.354 -37.806 1.00 0.00 H new ATOM 0 HB2 PHE A 16 13.733 -0.122 -37.711 1.00 0.00 H new ATOM 0 HB3 PHE A 16 14.997 0.864 -37.003 1.00 0.00 H new ATOM 0 HD1 PHE A 16 16.034 2.744 -38.504 1.00 0.00 H new ATOM 0 HD2 PHE A 16 12.362 0.770 -39.467 1.00 0.00 H new ATOM 0 HE1 PHE A 16 15.416 4.599 -39.988 1.00 0.00 H new ATOM 0 HE2 PHE A 16 11.760 2.636 -40.945 1.00 0.00 H new ATOM 0 HZ PHE A 16 13.282 4.549 -41.207 1.00 0.00 H new ATOM 270 N GLN A 17 16.154 -1.138 -40.853 1.00 0.00 N ATOM 271 CA GLN A 17 15.899 -1.657 -42.202 1.00 0.00 C ATOM 272 C GLN A 17 15.825 -3.196 -42.165 1.00 0.00 C ATOM 273 O GLN A 17 16.719 -3.857 -41.613 1.00 0.00 O ATOM 274 CB GLN A 17 17.023 -1.194 -43.181 1.00 0.00 C ATOM 275 CG GLN A 17 17.368 0.312 -43.118 1.00 0.00 C ATOM 276 CD GLN A 17 16.168 1.238 -43.344 1.00 0.00 C ATOM 277 OE1 GLN A 17 15.482 1.639 -42.404 1.00 0.00 O ATOM 278 NE2 GLN A 17 15.911 1.577 -44.597 1.00 0.00 N ATOM 0 H GLN A 17 17.092 -0.753 -40.742 1.00 0.00 H new ATOM 0 HA GLN A 17 14.946 -1.265 -42.558 1.00 0.00 H new ATOM 0 HB2 GLN A 17 17.926 -1.767 -42.970 1.00 0.00 H new ATOM 0 HB3 GLN A 17 16.721 -1.439 -44.199 1.00 0.00 H new ATOM 0 HG2 GLN A 17 17.806 0.533 -42.145 1.00 0.00 H new ATOM 0 HG3 GLN A 17 18.129 0.531 -43.867 1.00 0.00 H new ATOM 0 HE21 GLN A 17 16.501 1.226 -45.352 1.00 0.00 H new ATOM 0 HE22 GLN A 17 15.123 2.189 -44.808 1.00 0.00 H new ATOM 287 N GLY A 18 14.742 -3.742 -42.725 1.00 0.00 N ATOM 288 CA GLY A 18 14.547 -5.182 -42.843 1.00 0.00 C ATOM 289 C GLY A 18 13.547 -5.521 -43.935 1.00 0.00 C ATOM 290 O GLY A 18 12.888 -4.628 -44.493 1.00 0.00 O ATOM 0 H GLY A 18 13.975 -3.191 -43.110 1.00 0.00 H new ATOM 0 HA2 GLY A 18 15.501 -5.663 -43.060 1.00 0.00 H new ATOM 0 HA3 GLY A 18 14.197 -5.582 -41.891 1.00 0.00 H new ATOM 294 N HIS A 19 13.426 -6.815 -44.246 1.00 0.00 N ATOM 295 CA HIS A 19 12.570 -7.292 -45.337 1.00 0.00 C ATOM 296 C HIS A 19 11.157 -7.565 -44.814 1.00 0.00 C ATOM 297 O HIS A 19 10.964 -8.415 -43.941 1.00 0.00 O ATOM 298 CB HIS A 19 13.185 -8.564 -45.970 1.00 0.00 C ATOM 299 CG HIS A 19 14.541 -8.336 -46.584 1.00 0.00 C ATOM 300 ND1 HIS A 19 14.752 -8.278 -47.943 1.00 0.00 N ATOM 301 CD2 HIS A 19 15.755 -8.142 -46.014 1.00 0.00 C ATOM 302 CE1 HIS A 19 16.029 -8.060 -48.179 1.00 0.00 C ATOM 303 NE2 HIS A 19 16.662 -7.977 -47.026 1.00 0.00 N ATOM 0 H HIS A 19 13.917 -7.559 -43.751 1.00 0.00 H new ATOM 0 HA HIS A 19 12.504 -6.524 -46.107 1.00 0.00 H new ATOM 0 HB2 HIS A 19 13.267 -9.337 -45.206 1.00 0.00 H new ATOM 0 HB3 HIS A 19 12.508 -8.943 -46.735 1.00 0.00 H new ATOM 0 HD2 HIS A 19 15.968 -8.121 -44.955 1.00 0.00 H new ATOM 0 HE1 HIS A 19 16.482 -7.965 -49.155 1.00 0.00 H new ATOM 0 HE2 HIS A 19 17.662 -7.816 -46.907 1.00 0.00 H new ATOM 312 N MET A 20 10.183 -6.814 -45.344 1.00 0.00 N ATOM 313 CA MET A 20 8.749 -7.017 -45.061 1.00 0.00 C ATOM 314 C MET A 20 8.177 -8.154 -45.924 1.00 0.00 C ATOM 315 O MET A 20 7.075 -8.653 -45.647 1.00 0.00 O ATOM 316 CB MET A 20 7.962 -5.697 -45.307 1.00 0.00 C ATOM 317 CG MET A 20 8.371 -4.539 -44.382 1.00 0.00 C ATOM 318 SD MET A 20 8.144 -4.958 -42.637 1.00 0.00 S ATOM 319 CE MET A 20 8.800 -3.503 -41.827 1.00 0.00 C ATOM 0 H MET A 20 10.365 -6.042 -45.986 1.00 0.00 H new ATOM 0 HA MET A 20 8.641 -7.300 -44.014 1.00 0.00 H new ATOM 0 HB2 MET A 20 8.106 -5.389 -46.342 1.00 0.00 H new ATOM 0 HB3 MET A 20 6.897 -5.892 -45.178 1.00 0.00 H new ATOM 0 HG2 MET A 20 9.415 -4.283 -44.561 1.00 0.00 H new ATOM 0 HG3 MET A 20 7.780 -3.655 -44.623 1.00 0.00 H new ATOM 0 HE1 MET A 20 8.724 -3.623 -40.746 1.00 0.00 H new ATOM 0 HE2 MET A 20 9.846 -3.372 -42.105 1.00 0.00 H new ATOM 0 HE3 MET A 20 8.230 -2.627 -42.136 1.00 0.00 H new ATOM 329 N ALA A 21 8.949 -8.535 -46.970 1.00 0.00 N ATOM 330 CA ALA A 21 8.591 -9.585 -47.935 1.00 0.00 C ATOM 331 C ALA A 21 7.376 -9.165 -48.792 1.00 0.00 C ATOM 332 O ALA A 21 6.968 -7.991 -48.782 1.00 0.00 O ATOM 333 CB ALA A 21 8.380 -10.946 -47.226 1.00 0.00 C ATOM 0 H ALA A 21 9.855 -8.108 -47.164 1.00 0.00 H new ATOM 0 HA ALA A 21 9.426 -9.717 -48.623 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.116 -11.704 -47.964 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.299 -11.238 -46.718 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.576 -10.855 -46.496 1.00 0.00 H new ATOM 339 N SER A 22 6.832 -10.122 -49.559 1.00 0.00 N ATOM 340 CA SER A 22 5.670 -9.889 -50.432 1.00 0.00 C ATOM 341 C SER A 22 5.022 -11.229 -50.822 1.00 0.00 C ATOM 342 O SER A 22 5.584 -12.302 -50.571 1.00 0.00 O ATOM 343 CB SER A 22 6.098 -9.104 -51.704 1.00 0.00 C ATOM 344 OG SER A 22 4.981 -8.759 -52.515 1.00 0.00 O ATOM 0 H SER A 22 7.184 -11.079 -49.592 1.00 0.00 H new ATOM 0 HA SER A 22 4.938 -9.293 -49.888 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.627 -8.198 -51.410 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.796 -9.707 -52.285 1.00 0.00 H new ATOM 0 HG SER A 22 5.125 -9.087 -53.427 1.00 0.00 H new ATOM 350 N GLY A 23 3.841 -11.149 -51.459 1.00 0.00 N ATOM 351 CA GLY A 23 3.176 -12.324 -52.025 1.00 0.00 C ATOM 352 C GLY A 23 3.588 -12.582 -53.471 1.00 0.00 C ATOM 353 O GLY A 23 2.773 -13.025 -54.285 1.00 0.00 O ATOM 0 H GLY A 23 3.330 -10.277 -51.592 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.413 -13.199 -51.420 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.096 -12.186 -51.976 1.00 0.00 H new ATOM 357 N SER A 24 4.879 -12.334 -53.779 1.00 0.00 N ATOM 358 CA SER A 24 5.457 -12.493 -55.132 1.00 0.00 C ATOM 359 C SER A 24 5.937 -13.951 -55.335 1.00 0.00 C ATOM 360 O SER A 24 6.980 -14.206 -55.946 1.00 0.00 O ATOM 361 CB SER A 24 6.621 -11.479 -55.292 1.00 0.00 C ATOM 362 OG SER A 24 6.191 -10.147 -55.036 1.00 0.00 O ATOM 0 H SER A 24 5.557 -12.014 -53.088 1.00 0.00 H new ATOM 0 HA SER A 24 4.706 -12.290 -55.895 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.429 -11.740 -54.608 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.025 -11.544 -56.302 1.00 0.00 H new ATOM 0 HG SER A 24 6.947 -9.533 -55.143 1.00 0.00 H new ATOM 368 N GLU A 25 5.126 -14.899 -54.833 1.00 0.00 N ATOM 369 CA GLU A 25 5.438 -16.335 -54.800 1.00 0.00 C ATOM 370 C GLU A 25 4.433 -17.108 -55.670 1.00 0.00 C ATOM 371 O GLU A 25 3.641 -16.494 -56.403 1.00 0.00 O ATOM 372 CB GLU A 25 5.402 -16.817 -53.326 1.00 0.00 C ATOM 373 CG GLU A 25 6.471 -16.165 -52.429 1.00 0.00 C ATOM 374 CD GLU A 25 6.300 -16.494 -50.938 1.00 0.00 C ATOM 375 OE1 GLU A 25 6.825 -17.528 -50.471 1.00 0.00 O ATOM 376 OE2 GLU A 25 5.638 -15.713 -50.221 1.00 0.00 O ATOM 0 H GLU A 25 4.215 -14.681 -54.430 1.00 0.00 H new ATOM 0 HA GLU A 25 6.433 -16.518 -55.205 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.416 -16.608 -52.910 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.535 -17.899 -53.305 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.458 -16.494 -52.755 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.435 -15.084 -52.561 1.00 0.00 H new ATOM 383 N GLU A 26 4.467 -18.449 -55.584 1.00 0.00 N ATOM 384 CA GLU A 26 3.580 -19.326 -56.371 1.00 0.00 C ATOM 385 C GLU A 26 3.337 -20.645 -55.611 1.00 0.00 C ATOM 386 O GLU A 26 4.250 -21.167 -54.956 1.00 0.00 O ATOM 387 CB GLU A 26 4.200 -19.586 -57.777 1.00 0.00 C ATOM 388 CG GLU A 26 3.357 -20.483 -58.702 1.00 0.00 C ATOM 389 CD GLU A 26 3.914 -20.542 -60.133 1.00 0.00 C ATOM 390 OE1 GLU A 26 4.842 -21.332 -60.394 1.00 0.00 O ATOM 391 OE2 GLU A 26 3.436 -19.785 -61.008 1.00 0.00 O ATOM 0 H GLU A 26 5.106 -18.954 -54.971 1.00 0.00 H new ATOM 0 HA GLU A 26 2.617 -18.836 -56.513 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.359 -18.627 -58.271 1.00 0.00 H new ATOM 0 HB3 GLU A 26 5.181 -20.044 -57.647 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.319 -21.491 -58.289 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.333 -20.110 -58.729 1.00 0.00 H new ATOM 398 N GLU A 27 2.094 -21.162 -55.694 1.00 0.00 N ATOM 399 CA GLU A 27 1.714 -22.451 -55.098 1.00 0.00 C ATOM 400 C GLU A 27 2.394 -23.590 -55.875 1.00 0.00 C ATOM 401 O GLU A 27 2.031 -23.870 -57.023 1.00 0.00 O ATOM 402 CB GLU A 27 0.175 -22.635 -55.133 1.00 0.00 C ATOM 403 CG GLU A 27 -0.624 -21.550 -54.388 1.00 0.00 C ATOM 404 CD GLU A 27 -2.141 -21.803 -54.417 1.00 0.00 C ATOM 405 OE1 GLU A 27 -2.696 -22.326 -53.427 1.00 0.00 O ATOM 406 OE2 GLU A 27 -2.787 -21.492 -55.443 1.00 0.00 O ATOM 0 H GLU A 27 1.328 -20.694 -56.178 1.00 0.00 H new ATOM 0 HA GLU A 27 2.039 -22.470 -54.058 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.150 -22.656 -56.173 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.070 -23.606 -54.703 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.287 -21.504 -53.352 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.413 -20.578 -54.835 1.00 0.00 H new ATOM 413 N VAL A 28 3.406 -24.205 -55.255 1.00 0.00 N ATOM 414 CA VAL A 28 4.192 -25.299 -55.854 1.00 0.00 C ATOM 415 C VAL A 28 4.218 -26.500 -54.887 1.00 0.00 C ATOM 416 O VAL A 28 4.299 -26.313 -53.664 1.00 0.00 O ATOM 417 CB VAL A 28 5.655 -24.822 -56.209 1.00 0.00 C ATOM 418 CG1 VAL A 28 5.644 -23.833 -57.404 1.00 0.00 C ATOM 419 CG2 VAL A 28 6.359 -24.183 -54.981 1.00 0.00 C ATOM 0 H VAL A 28 3.709 -23.958 -54.313 1.00 0.00 H new ATOM 0 HA VAL A 28 3.719 -25.605 -56.787 1.00 0.00 H new ATOM 0 HB VAL A 28 6.223 -25.706 -56.499 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.664 -23.521 -57.627 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.215 -24.323 -58.278 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.045 -22.959 -57.148 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.364 -23.866 -55.262 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.787 -23.319 -54.643 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.421 -24.915 -54.176 1.00 0.00 H new ATOM 429 N VAL A 29 4.124 -27.726 -55.446 1.00 0.00 N ATOM 430 CA VAL A 29 4.071 -28.968 -54.648 1.00 0.00 C ATOM 431 C VAL A 29 5.483 -29.332 -54.118 1.00 0.00 C ATOM 432 O VAL A 29 6.392 -29.675 -54.885 1.00 0.00 O ATOM 433 CB VAL A 29 3.393 -30.169 -55.446 1.00 0.00 C ATOM 434 CG1 VAL A 29 1.917 -29.827 -55.781 1.00 0.00 C ATOM 435 CG2 VAL A 29 4.166 -30.557 -56.738 1.00 0.00 C ATOM 0 H VAL A 29 4.083 -27.881 -56.453 1.00 0.00 H new ATOM 0 HA VAL A 29 3.429 -28.786 -53.786 1.00 0.00 H new ATOM 0 HB VAL A 29 3.427 -31.039 -54.790 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.466 -30.656 -56.326 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.364 -29.657 -54.857 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.882 -28.927 -56.395 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.653 -31.380 -57.235 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.209 -29.698 -57.408 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.179 -30.865 -56.478 1.00 0.00 H new ATOM 445 N SER A 30 5.664 -29.206 -52.789 1.00 0.00 N ATOM 446 CA SER A 30 6.948 -29.422 -52.111 1.00 0.00 C ATOM 447 C SER A 30 6.736 -30.276 -50.850 1.00 0.00 C ATOM 448 O SER A 30 5.922 -29.931 -49.985 1.00 0.00 O ATOM 449 CB SER A 30 7.573 -28.062 -51.733 1.00 0.00 C ATOM 450 OG SER A 30 6.683 -27.282 -50.950 1.00 0.00 O ATOM 0 H SER A 30 4.910 -28.948 -52.152 1.00 0.00 H new ATOM 0 HA SER A 30 7.625 -29.949 -52.783 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.498 -28.226 -51.180 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.836 -27.516 -52.639 1.00 0.00 H new ATOM 0 HG SER A 30 6.089 -27.874 -50.443 1.00 0.00 H new ATOM 456 N VAL A 31 7.464 -31.393 -50.778 1.00 0.00 N ATOM 457 CA VAL A 31 7.496 -32.279 -49.608 1.00 0.00 C ATOM 458 C VAL A 31 8.872 -32.146 -48.938 1.00 0.00 C ATOM 459 O VAL A 31 9.896 -32.446 -49.561 1.00 0.00 O ATOM 460 CB VAL A 31 7.223 -33.780 -50.012 1.00 0.00 C ATOM 461 CG1 VAL A 31 7.334 -34.738 -48.794 1.00 0.00 C ATOM 462 CG2 VAL A 31 5.845 -33.915 -50.712 1.00 0.00 C ATOM 0 H VAL A 31 8.058 -31.714 -51.543 1.00 0.00 H new ATOM 0 HA VAL A 31 6.708 -31.986 -48.914 1.00 0.00 H new ATOM 0 HB VAL A 31 7.997 -34.077 -50.720 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.139 -35.761 -49.117 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.337 -34.676 -48.372 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.604 -34.451 -48.037 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.675 -34.957 -50.983 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.059 -33.583 -50.034 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.832 -33.300 -51.612 1.00 0.00 H new ATOM 472 N GLU A 32 8.885 -31.656 -47.692 1.00 0.00 N ATOM 473 CA GLU A 32 10.110 -31.517 -46.894 1.00 0.00 C ATOM 474 C GLU A 32 10.541 -32.883 -46.331 1.00 0.00 C ATOM 475 O GLU A 32 9.756 -33.574 -45.673 1.00 0.00 O ATOM 476 CB GLU A 32 9.902 -30.493 -45.753 1.00 0.00 C ATOM 477 CG GLU A 32 9.617 -29.062 -46.248 1.00 0.00 C ATOM 478 CD GLU A 32 9.356 -28.067 -45.104 1.00 0.00 C ATOM 479 OE1 GLU A 32 10.328 -27.474 -44.583 1.00 0.00 O ATOM 480 OE2 GLU A 32 8.179 -27.883 -44.714 1.00 0.00 O ATOM 0 H GLU A 32 8.044 -31.344 -47.207 1.00 0.00 H new ATOM 0 HA GLU A 32 10.905 -31.147 -47.541 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.073 -30.823 -45.127 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.791 -30.479 -45.123 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.464 -28.713 -46.838 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.752 -29.079 -46.911 1.00 0.00 H new ATOM 487 N LEU A 33 11.791 -33.256 -46.615 1.00 0.00 N ATOM 488 CA LEU A 33 12.390 -34.552 -46.227 1.00 0.00 C ATOM 489 C LEU A 33 13.288 -34.349 -44.969 1.00 0.00 C ATOM 490 O LEU A 33 13.529 -33.192 -44.588 1.00 0.00 O ATOM 491 CB LEU A 33 13.168 -35.135 -47.471 1.00 0.00 C ATOM 492 CG LEU A 33 12.351 -36.034 -48.464 1.00 0.00 C ATOM 493 CD1 LEU A 33 12.043 -37.411 -47.859 1.00 0.00 C ATOM 494 CD2 LEU A 33 11.061 -35.350 -48.915 1.00 0.00 C ATOM 0 H LEU A 33 12.436 -32.658 -47.132 1.00 0.00 H new ATOM 0 HA LEU A 33 11.630 -35.282 -45.948 1.00 0.00 H new ATOM 0 HB2 LEU A 33 13.582 -34.299 -48.034 1.00 0.00 H new ATOM 0 HB3 LEU A 33 14.011 -35.719 -47.101 1.00 0.00 H new ATOM 0 HG LEU A 33 12.980 -36.182 -49.342 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.476 -38.005 -48.576 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.977 -37.922 -47.622 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.457 -37.286 -46.948 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.523 -36.004 -49.602 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.436 -35.143 -48.046 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.302 -34.414 -49.419 1.00 0.00 H new ATOM 506 N PRO A 34 13.781 -35.453 -44.273 1.00 0.00 N ATOM 507 CA PRO A 34 14.606 -35.331 -43.032 1.00 0.00 C ATOM 508 C PRO A 34 15.857 -34.443 -43.219 1.00 0.00 C ATOM 509 O PRO A 34 16.663 -34.674 -44.132 1.00 0.00 O ATOM 510 CB PRO A 34 14.996 -36.803 -42.690 1.00 0.00 C ATOM 511 CG PRO A 34 14.772 -37.552 -43.964 1.00 0.00 C ATOM 512 CD PRO A 34 13.570 -36.894 -44.595 1.00 0.00 C ATOM 0 HA PRO A 34 14.052 -34.839 -42.233 1.00 0.00 H new ATOM 0 HB2 PRO A 34 16.034 -36.874 -42.365 1.00 0.00 H new ATOM 0 HB3 PRO A 34 14.381 -37.200 -41.882 1.00 0.00 H new ATOM 0 HG2 PRO A 34 15.643 -37.492 -44.616 1.00 0.00 H new ATOM 0 HG3 PRO A 34 14.589 -38.610 -43.774 1.00 0.00 H new ATOM 0 HD2 PRO A 34 13.531 -37.067 -45.670 1.00 0.00 H new ATOM 0 HD3 PRO A 34 12.636 -37.270 -44.177 1.00 0.00 H new ATOM 520 N ALA A 35 15.996 -33.439 -42.338 1.00 0.00 N ATOM 521 CA ALA A 35 17.017 -32.372 -42.441 1.00 0.00 C ATOM 522 C ALA A 35 18.030 -32.432 -41.280 1.00 0.00 C ATOM 523 O ALA A 35 17.718 -32.981 -40.221 1.00 0.00 O ATOM 524 CB ALA A 35 16.319 -30.995 -42.453 1.00 0.00 C ATOM 0 H ALA A 35 15.395 -33.340 -41.520 1.00 0.00 H new ATOM 0 HA ALA A 35 17.569 -32.523 -43.369 1.00 0.00 H new ATOM 0 HB1 ALA A 35 17.069 -30.208 -42.529 1.00 0.00 H new ATOM 0 HB2 ALA A 35 15.644 -30.937 -43.307 1.00 0.00 H new ATOM 0 HB3 ALA A 35 15.751 -30.867 -41.532 1.00 0.00 H new ATOM 530 N PRO A 36 19.267 -31.867 -41.464 1.00 0.00 N ATOM 531 CA PRO A 36 20.202 -31.613 -40.343 1.00 0.00 C ATOM 532 C PRO A 36 19.727 -30.415 -39.479 1.00 0.00 C ATOM 533 O PRO A 36 18.784 -29.704 -39.852 1.00 0.00 O ATOM 534 CB PRO A 36 21.546 -31.326 -41.057 1.00 0.00 C ATOM 535 CG PRO A 36 21.133 -30.739 -42.370 1.00 0.00 C ATOM 536 CD PRO A 36 19.863 -31.466 -42.770 1.00 0.00 C ATOM 0 HA PRO A 36 20.275 -32.445 -39.643 1.00 0.00 H new ATOM 0 HB2 PRO A 36 22.163 -30.633 -40.485 1.00 0.00 H new ATOM 0 HB3 PRO A 36 22.130 -32.236 -41.192 1.00 0.00 H new ATOM 0 HG2 PRO A 36 20.958 -29.667 -42.281 1.00 0.00 H new ATOM 0 HG3 PRO A 36 21.912 -30.873 -43.120 1.00 0.00 H new ATOM 0 HD2 PRO A 36 19.192 -30.820 -43.336 1.00 0.00 H new ATOM 0 HD3 PRO A 36 20.076 -32.332 -43.397 1.00 0.00 H new ATOM 544 N SER A 37 20.393 -30.212 -38.334 1.00 0.00 N ATOM 545 CA SER A 37 20.035 -29.161 -37.360 1.00 0.00 C ATOM 546 C SER A 37 20.266 -27.747 -37.932 1.00 0.00 C ATOM 547 O SER A 37 19.404 -26.865 -37.816 1.00 0.00 O ATOM 548 CB SER A 37 20.862 -29.356 -36.065 1.00 0.00 C ATOM 549 OG SER A 37 22.254 -29.413 -36.348 1.00 0.00 O ATOM 0 H SER A 37 21.198 -30.771 -38.053 1.00 0.00 H new ATOM 0 HA SER A 37 18.972 -29.252 -37.137 1.00 0.00 H new ATOM 0 HB2 SER A 37 20.662 -28.536 -35.375 1.00 0.00 H new ATOM 0 HB3 SER A 37 20.552 -30.274 -35.567 1.00 0.00 H new ATOM 0 HG SER A 37 22.753 -29.535 -35.513 1.00 0.00 H new ATOM 555 N SER A 38 21.438 -27.569 -38.555 1.00 0.00 N ATOM 556 CA SER A 38 21.902 -26.268 -39.059 1.00 0.00 C ATOM 557 C SER A 38 21.124 -25.831 -40.315 1.00 0.00 C ATOM 558 O SER A 38 20.773 -24.663 -40.466 1.00 0.00 O ATOM 559 CB SER A 38 23.407 -26.362 -39.369 1.00 0.00 C ATOM 560 OG SER A 38 24.114 -26.947 -38.289 1.00 0.00 O ATOM 0 H SER A 38 22.097 -28.329 -38.725 1.00 0.00 H new ATOM 0 HA SER A 38 21.723 -25.514 -38.292 1.00 0.00 H new ATOM 0 HB2 SER A 38 23.559 -26.954 -40.271 1.00 0.00 H new ATOM 0 HB3 SER A 38 23.803 -25.367 -39.571 1.00 0.00 H new ATOM 0 HG SER A 38 25.067 -26.997 -38.511 1.00 0.00 H new ATOM 566 N TRP A 39 20.861 -26.795 -41.209 1.00 0.00 N ATOM 567 CA TRP A 39 20.217 -26.544 -42.513 1.00 0.00 C ATOM 568 C TRP A 39 18.751 -27.009 -42.502 1.00 0.00 C ATOM 569 O TRP A 39 18.213 -27.409 -41.465 1.00 0.00 O ATOM 570 CB TRP A 39 20.993 -27.276 -43.643 1.00 0.00 C ATOM 571 CG TRP A 39 22.387 -26.764 -43.904 1.00 0.00 C ATOM 572 CD1 TRP A 39 23.417 -26.637 -43.018 1.00 0.00 C ATOM 573 CD2 TRP A 39 22.900 -26.350 -45.164 1.00 0.00 C ATOM 574 NE1 TRP A 39 24.526 -26.145 -43.652 1.00 0.00 N ATOM 575 CE2 TRP A 39 24.236 -25.973 -44.973 1.00 0.00 C ATOM 576 CE3 TRP A 39 22.346 -26.269 -46.436 1.00 0.00 C ATOM 577 CZ2 TRP A 39 25.023 -25.509 -46.009 1.00 0.00 C ATOM 578 CZ3 TRP A 39 23.126 -25.814 -47.461 1.00 0.00 C ATOM 579 CH2 TRP A 39 24.458 -25.443 -47.250 1.00 0.00 C ATOM 0 H TRP A 39 21.089 -27.776 -41.050 1.00 0.00 H new ATOM 0 HA TRP A 39 20.237 -25.470 -42.699 1.00 0.00 H new ATOM 0 HB2 TRP A 39 21.054 -28.335 -43.392 1.00 0.00 H new ATOM 0 HB3 TRP A 39 20.417 -27.199 -44.565 1.00 0.00 H new ATOM 0 HD1 TRP A 39 23.365 -26.888 -41.969 1.00 0.00 H new ATOM 0 HE1 TRP A 39 25.422 -25.941 -43.209 1.00 0.00 H new ATOM 0 HE3 TRP A 39 21.321 -26.560 -46.610 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 26.047 -25.210 -45.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 22.706 -25.739 -48.453 1.00 0.00 H new ATOM 0 HH2 TRP A 39 25.051 -25.098 -48.084 1.00 0.00 H new ATOM 590 N LYS A 40 18.126 -26.938 -43.683 1.00 0.00 N ATOM 591 CA LYS A 40 16.791 -27.474 -43.948 1.00 0.00 C ATOM 592 C LYS A 40 16.868 -28.322 -45.223 1.00 0.00 C ATOM 593 O LYS A 40 17.785 -28.157 -46.040 1.00 0.00 O ATOM 594 CB LYS A 40 15.733 -26.317 -44.065 1.00 0.00 C ATOM 595 CG LYS A 40 14.440 -26.533 -43.236 1.00 0.00 C ATOM 596 CD LYS A 40 14.732 -26.729 -41.722 1.00 0.00 C ATOM 597 CE LYS A 40 15.488 -25.535 -41.086 1.00 0.00 C ATOM 598 NZ LYS A 40 16.140 -25.899 -39.800 1.00 0.00 N ATOM 0 H LYS A 40 18.547 -26.495 -44.499 1.00 0.00 H new ATOM 0 HA LYS A 40 16.460 -28.101 -43.120 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.199 -25.384 -43.749 1.00 0.00 H new ATOM 0 HB3 LYS A 40 15.460 -26.198 -45.114 1.00 0.00 H new ATOM 0 HG2 LYS A 40 13.780 -25.676 -43.368 1.00 0.00 H new ATOM 0 HG3 LYS A 40 13.909 -27.406 -43.617 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.790 -26.878 -41.193 1.00 0.00 H new ATOM 0 HD3 LYS A 40 15.320 -27.637 -41.587 1.00 0.00 H new ATOM 0 HE2 LYS A 40 16.243 -25.173 -41.784 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.790 -24.715 -40.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 16.441 -25.034 -39.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 15.466 -26.421 -39.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 16.970 -26.497 -39.989 1.00 0.00 H new ATOM 612 N LYS A 41 15.913 -29.233 -45.374 1.00 0.00 N ATOM 613 CA LYS A 41 15.884 -30.201 -46.470 1.00 0.00 C ATOM 614 C LYS A 41 14.462 -30.301 -47.011 1.00 0.00 C ATOM 615 O LYS A 41 13.500 -30.526 -46.271 1.00 0.00 O ATOM 616 CB LYS A 41 16.424 -31.564 -45.971 1.00 0.00 C ATOM 617 CG LYS A 41 16.042 -32.804 -46.791 1.00 0.00 C ATOM 618 CD LYS A 41 16.625 -32.827 -48.210 1.00 0.00 C ATOM 619 CE LYS A 41 16.506 -34.224 -48.823 1.00 0.00 C ATOM 620 NZ LYS A 41 17.036 -35.268 -47.898 1.00 0.00 N ATOM 0 H LYS A 41 15.126 -29.323 -44.731 1.00 0.00 H new ATOM 0 HA LYS A 41 16.528 -29.877 -47.288 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.512 -31.505 -45.932 1.00 0.00 H new ATOM 0 HB3 LYS A 41 16.077 -31.713 -44.949 1.00 0.00 H new ATOM 0 HG2 LYS A 41 16.377 -33.694 -46.259 1.00 0.00 H new ATOM 0 HG3 LYS A 41 14.955 -32.861 -46.856 1.00 0.00 H new ATOM 0 HD2 LYS A 41 16.101 -32.105 -48.835 1.00 0.00 H new ATOM 0 HD3 LYS A 41 17.672 -32.525 -48.183 1.00 0.00 H new ATOM 0 HE2 LYS A 41 15.462 -34.435 -49.053 1.00 0.00 H new ATOM 0 HE3 LYS A 41 17.053 -34.258 -49.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 17.649 -35.921 -48.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 17.585 -34.814 -47.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 16.244 -35.797 -47.481 1.00 0.00 H new ATOM 634 N LEU A 42 14.377 -30.114 -48.317 1.00 0.00 N ATOM 635 CA LEU A 42 13.148 -30.104 -49.090 1.00 0.00 C ATOM 636 C LEU A 42 13.380 -30.923 -50.372 1.00 0.00 C ATOM 637 O LEU A 42 14.514 -31.045 -50.856 1.00 0.00 O ATOM 638 CB LEU A 42 12.751 -28.606 -49.339 1.00 0.00 C ATOM 639 CG LEU A 42 11.646 -28.279 -50.410 1.00 0.00 C ATOM 640 CD1 LEU A 42 10.910 -26.952 -50.097 1.00 0.00 C ATOM 641 CD2 LEU A 42 12.248 -28.212 -51.826 1.00 0.00 C ATOM 0 H LEU A 42 15.203 -29.958 -48.894 1.00 0.00 H new ATOM 0 HA LEU A 42 12.310 -30.572 -48.573 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.420 -28.190 -48.387 1.00 0.00 H new ATOM 0 HB3 LEU A 42 13.655 -28.069 -49.624 1.00 0.00 H new ATOM 0 HG LEU A 42 10.920 -29.091 -50.367 1.00 0.00 H new ATOM 0 HD11 LEU A 42 10.156 -26.765 -50.862 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.428 -27.024 -49.122 1.00 0.00 H new ATOM 0 HD13 LEU A 42 11.628 -26.132 -50.087 1.00 0.00 H new ATOM 0 HD21 LEU A 42 11.461 -27.985 -52.545 1.00 0.00 H new ATOM 0 HD22 LEU A 42 13.009 -27.432 -51.861 1.00 0.00 H new ATOM 0 HD23 LEU A 42 12.701 -29.172 -52.075 1.00 0.00 H new ATOM 653 N PHE A 43 12.301 -31.504 -50.891 1.00 0.00 N ATOM 654 CA PHE A 43 12.273 -32.170 -52.193 1.00 0.00 C ATOM 655 C PHE A 43 11.037 -31.689 -52.958 1.00 0.00 C ATOM 656 O PHE A 43 9.971 -31.485 -52.369 1.00 0.00 O ATOM 657 CB PHE A 43 12.266 -33.712 -52.004 1.00 0.00 C ATOM 658 CG PHE A 43 12.070 -34.526 -53.289 1.00 0.00 C ATOM 659 CD1 PHE A 43 12.930 -34.369 -54.379 1.00 0.00 C ATOM 660 CD2 PHE A 43 11.020 -35.440 -53.411 1.00 0.00 C ATOM 661 CE1 PHE A 43 12.749 -35.093 -55.542 1.00 0.00 C ATOM 662 CE2 PHE A 43 10.843 -36.165 -54.574 1.00 0.00 C ATOM 663 CZ PHE A 43 11.704 -35.989 -55.641 1.00 0.00 C ATOM 0 H PHE A 43 11.402 -31.526 -50.409 1.00 0.00 H new ATOM 0 HA PHE A 43 13.164 -31.919 -52.769 1.00 0.00 H new ATOM 0 HB2 PHE A 43 13.208 -34.010 -51.544 1.00 0.00 H new ATOM 0 HB3 PHE A 43 11.473 -33.973 -51.303 1.00 0.00 H new ATOM 0 HD1 PHE A 43 13.750 -33.670 -54.311 1.00 0.00 H new ATOM 0 HD2 PHE A 43 10.338 -35.582 -52.586 1.00 0.00 H new ATOM 0 HE1 PHE A 43 13.425 -34.958 -56.373 1.00 0.00 H new ATOM 0 HE2 PHE A 43 10.029 -36.871 -54.650 1.00 0.00 H new ATOM 0 HZ PHE A 43 11.559 -36.552 -56.551 1.00 0.00 H new ATOM 673 N TYR A 44 11.200 -31.470 -54.265 1.00 0.00 N ATOM 674 CA TYR A 44 10.089 -31.117 -55.161 1.00 0.00 C ATOM 675 C TYR A 44 9.670 -32.357 -55.985 1.00 0.00 C ATOM 676 O TYR A 44 10.334 -32.691 -56.966 1.00 0.00 O ATOM 677 CB TYR A 44 10.492 -29.952 -56.101 1.00 0.00 C ATOM 678 CG TYR A 44 10.337 -28.551 -55.518 1.00 0.00 C ATOM 679 CD1 TYR A 44 11.437 -27.782 -55.138 1.00 0.00 C ATOM 680 CD2 TYR A 44 9.074 -28.006 -55.338 1.00 0.00 C ATOM 681 CE1 TYR A 44 11.270 -26.517 -54.599 1.00 0.00 C ATOM 682 CE2 TYR A 44 8.904 -26.750 -54.807 1.00 0.00 C ATOM 683 CZ TYR A 44 10.001 -26.008 -54.435 1.00 0.00 C ATOM 684 OH TYR A 44 9.827 -24.754 -53.892 1.00 0.00 O ATOM 0 H TYR A 44 12.103 -31.532 -54.734 1.00 0.00 H new ATOM 0 HA TYR A 44 9.242 -30.787 -54.559 1.00 0.00 H new ATOM 0 HB2 TYR A 44 11.532 -30.090 -56.396 1.00 0.00 H new ATOM 0 HB3 TYR A 44 9.892 -30.017 -57.009 1.00 0.00 H new ATOM 0 HD1 TYR A 44 12.433 -28.179 -55.266 1.00 0.00 H new ATOM 0 HD2 TYR A 44 8.205 -28.582 -55.621 1.00 0.00 H new ATOM 0 HE1 TYR A 44 12.131 -25.933 -54.309 1.00 0.00 H new ATOM 0 HE2 TYR A 44 7.910 -26.346 -54.682 1.00 0.00 H new ATOM 0 HH TYR A 44 8.870 -24.547 -53.847 1.00 0.00 H new ATOM 694 N PRO A 45 8.578 -33.081 -55.590 1.00 0.00 N ATOM 695 CA PRO A 45 8.028 -34.200 -56.387 1.00 0.00 C ATOM 696 C PRO A 45 7.082 -33.699 -57.496 1.00 0.00 C ATOM 697 O PRO A 45 6.827 -32.492 -57.621 1.00 0.00 O ATOM 698 CB PRO A 45 7.262 -35.020 -55.317 1.00 0.00 C ATOM 699 CG PRO A 45 6.725 -33.970 -54.390 1.00 0.00 C ATOM 700 CD PRO A 45 7.786 -32.875 -54.346 1.00 0.00 C ATOM 0 HA PRO A 45 8.791 -34.772 -56.915 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.461 -35.611 -55.761 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.920 -35.716 -54.797 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.774 -33.579 -54.751 1.00 0.00 H new ATOM 0 HG3 PRO A 45 6.545 -34.380 -53.396 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.334 -31.884 -54.322 1.00 0.00 H new ATOM 0 HD3 PRO A 45 8.411 -32.962 -53.457 1.00 0.00 H new ATOM 708 N ASN A 46 6.579 -34.637 -58.303 1.00 0.00 N ATOM 709 CA ASN A 46 5.514 -34.365 -59.279 1.00 0.00 C ATOM 710 C ASN A 46 4.142 -34.526 -58.606 1.00 0.00 C ATOM 711 O ASN A 46 4.055 -34.966 -57.447 1.00 0.00 O ATOM 712 CB ASN A 46 5.632 -35.307 -60.514 1.00 0.00 C ATOM 713 CG ASN A 46 5.553 -36.797 -60.178 1.00 0.00 C ATOM 714 OD1 ASN A 46 4.471 -37.376 -60.111 1.00 0.00 O ATOM 715 ND2 ASN A 46 6.703 -37.429 -59.986 1.00 0.00 N ATOM 0 H ASN A 46 6.897 -35.606 -58.300 1.00 0.00 H new ATOM 0 HA ASN A 46 5.620 -33.340 -59.633 1.00 0.00 H new ATOM 0 HB2 ASN A 46 4.838 -35.063 -61.220 1.00 0.00 H new ATOM 0 HB3 ASN A 46 6.578 -35.110 -61.018 1.00 0.00 H new ATOM 0 HD21 ASN A 46 6.707 -38.427 -59.775 1.00 0.00 H new ATOM 0 HD22 ASN A 46 7.583 -36.917 -60.049 1.00 0.00 H new ATOM 722 N LYS A 47 3.081 -34.149 -59.334 1.00 0.00 N ATOM 723 CA LYS A 47 1.698 -34.360 -58.888 1.00 0.00 C ATOM 724 C LYS A 47 1.364 -35.861 -59.105 1.00 0.00 C ATOM 725 O LYS A 47 1.312 -36.641 -58.144 1.00 0.00 O ATOM 726 CB LYS A 47 0.722 -33.401 -59.656 1.00 0.00 C ATOM 727 CG LYS A 47 -0.544 -32.968 -58.866 1.00 0.00 C ATOM 728 CD LYS A 47 -1.386 -34.156 -58.349 1.00 0.00 C ATOM 729 CE LYS A 47 -2.672 -33.725 -57.634 1.00 0.00 C ATOM 730 NZ LYS A 47 -3.406 -34.890 -57.083 1.00 0.00 N ATOM 0 H LYS A 47 3.157 -33.692 -60.243 1.00 0.00 H new ATOM 0 HA LYS A 47 1.579 -34.120 -57.831 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.272 -32.506 -59.946 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.405 -33.893 -60.576 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.241 -32.352 -58.019 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.167 -32.344 -59.507 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.645 -34.801 -59.189 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.780 -34.751 -57.665 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.427 -33.034 -56.827 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.314 -33.186 -58.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.270 -34.562 -56.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.661 -35.537 -57.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.802 -35.389 -56.399 1.00 0.00 H new ATOM 744 N VAL A 48 1.154 -36.245 -60.385 1.00 0.00 N ATOM 745 CA VAL A 48 0.977 -37.655 -60.810 1.00 0.00 C ATOM 746 C VAL A 48 1.694 -37.841 -62.161 1.00 0.00 C ATOM 747 O VAL A 48 1.255 -37.282 -63.174 1.00 0.00 O ATOM 748 CB VAL A 48 -0.547 -38.079 -60.972 1.00 0.00 C ATOM 749 CG1 VAL A 48 -0.679 -39.577 -61.378 1.00 0.00 C ATOM 750 CG2 VAL A 48 -1.369 -37.787 -59.697 1.00 0.00 C ATOM 0 H VAL A 48 1.102 -35.582 -61.158 1.00 0.00 H new ATOM 0 HA VAL A 48 1.398 -38.290 -60.030 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.959 -37.469 -61.776 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.733 -39.835 -61.480 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.171 -39.743 -62.328 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.225 -40.203 -60.610 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.404 -38.092 -59.853 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.949 -38.343 -58.858 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.335 -36.720 -59.479 1.00 0.00 H new ATOM 760 N GLY A 49 2.810 -38.590 -62.157 1.00 0.00 N ATOM 761 CA GLY A 49 3.550 -38.904 -63.382 1.00 0.00 C ATOM 762 C GLY A 49 4.844 -39.660 -63.109 1.00 0.00 C ATOM 763 O GLY A 49 5.343 -39.666 -61.981 1.00 0.00 O ATOM 0 H GLY A 49 3.218 -38.989 -61.312 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.918 -39.500 -64.041 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.779 -37.979 -63.911 1.00 0.00 H new ATOM 767 N SER A 50 5.408 -40.275 -64.163 1.00 0.00 N ATOM 768 CA SER A 50 6.679 -41.020 -64.093 1.00 0.00 C ATOM 769 C SER A 50 7.875 -40.079 -64.395 1.00 0.00 C ATOM 770 O SER A 50 8.844 -40.466 -65.064 1.00 0.00 O ATOM 771 CB SER A 50 6.620 -42.191 -65.095 1.00 0.00 C ATOM 772 OG SER A 50 6.374 -41.719 -66.409 1.00 0.00 O ATOM 0 H SER A 50 4.992 -40.270 -65.094 1.00 0.00 H new ATOM 0 HA SER A 50 6.824 -41.417 -63.088 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.560 -42.742 -65.072 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.835 -42.887 -64.801 1.00 0.00 H new ATOM 0 HG SER A 50 6.342 -42.478 -67.029 1.00 0.00 H new ATOM 778 N VAL A 51 7.799 -38.849 -63.857 1.00 0.00 N ATOM 779 CA VAL A 51 8.815 -37.797 -64.046 1.00 0.00 C ATOM 780 C VAL A 51 9.443 -37.435 -62.689 1.00 0.00 C ATOM 781 O VAL A 51 8.887 -37.761 -61.638 1.00 0.00 O ATOM 782 CB VAL A 51 8.190 -36.506 -64.710 1.00 0.00 C ATOM 783 CG1 VAL A 51 7.703 -36.798 -66.152 1.00 0.00 C ATOM 784 CG2 VAL A 51 7.040 -35.926 -63.843 1.00 0.00 C ATOM 0 H VAL A 51 7.019 -38.553 -63.270 1.00 0.00 H new ATOM 0 HA VAL A 51 9.583 -38.182 -64.717 1.00 0.00 H new ATOM 0 HB VAL A 51 8.976 -35.753 -64.767 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.278 -35.892 -66.583 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.545 -37.129 -66.760 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.943 -37.579 -66.128 1.00 0.00 H new ATOM 0 HG21 VAL A 51 6.631 -35.039 -64.327 1.00 0.00 H new ATOM 0 HG22 VAL A 51 6.255 -36.674 -63.733 1.00 0.00 H new ATOM 0 HG23 VAL A 51 7.426 -35.658 -62.859 1.00 0.00 H new ATOM 794 N LYS A 52 10.605 -36.768 -62.729 1.00 0.00 N ATOM 795 CA LYS A 52 11.276 -36.233 -61.527 1.00 0.00 C ATOM 796 C LYS A 52 10.633 -34.888 -61.140 1.00 0.00 C ATOM 797 O LYS A 52 10.538 -34.552 -59.948 1.00 0.00 O ATOM 798 CB LYS A 52 12.795 -36.054 -61.794 1.00 0.00 C ATOM 799 CG LYS A 52 13.628 -35.611 -60.566 1.00 0.00 C ATOM 800 CD LYS A 52 15.142 -35.512 -60.868 1.00 0.00 C ATOM 801 CE LYS A 52 15.754 -36.850 -61.332 1.00 0.00 C ATOM 802 NZ LYS A 52 17.199 -36.726 -61.659 1.00 0.00 N ATOM 0 H LYS A 52 11.110 -36.582 -63.595 1.00 0.00 H new ATOM 0 HA LYS A 52 11.156 -36.936 -60.703 1.00 0.00 H new ATOM 0 HB2 LYS A 52 13.197 -36.997 -62.166 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.925 -35.317 -62.587 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.268 -34.642 -60.220 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.471 -36.319 -59.752 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.304 -34.758 -61.638 1.00 0.00 H new ATOM 0 HD3 LYS A 52 15.664 -35.171 -59.974 1.00 0.00 H new ATOM 0 HE2 LYS A 52 15.624 -37.597 -60.549 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.215 -37.209 -62.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 17.566 -37.650 -61.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 17.324 -36.033 -62.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 17.720 -36.409 -60.816 1.00 0.00 H new ATOM 816 N LYS A 53 10.179 -34.150 -62.186 1.00 0.00 N ATOM 817 CA LYS A 53 9.600 -32.803 -62.081 1.00 0.00 C ATOM 818 C LYS A 53 10.715 -31.779 -61.736 1.00 0.00 C ATOM 819 O LYS A 53 11.210 -31.067 -62.621 1.00 0.00 O ATOM 820 CB LYS A 53 8.359 -32.797 -61.116 1.00 0.00 C ATOM 821 CG LYS A 53 7.558 -31.469 -61.012 1.00 0.00 C ATOM 822 CD LYS A 53 8.123 -30.497 -59.948 1.00 0.00 C ATOM 823 CE LYS A 53 7.402 -29.150 -59.906 1.00 0.00 C ATOM 824 NZ LYS A 53 8.075 -28.217 -58.966 1.00 0.00 N ATOM 0 H LYS A 53 10.210 -34.492 -63.146 1.00 0.00 H new ATOM 0 HA LYS A 53 9.195 -32.485 -63.042 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.675 -33.582 -61.438 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.704 -33.065 -60.117 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.559 -30.975 -61.983 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.519 -31.697 -60.772 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.056 -30.967 -58.967 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.181 -30.327 -60.148 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.380 -28.713 -60.905 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.366 -29.297 -59.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.688 -27.260 -59.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.913 -28.532 -57.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.097 -28.205 -59.161 1.00 0.00 H new ATOM 838 N THR A 54 11.115 -31.720 -60.460 1.00 0.00 N ATOM 839 CA THR A 54 12.247 -30.896 -59.985 1.00 0.00 C ATOM 840 C THR A 54 13.099 -31.758 -59.016 1.00 0.00 C ATOM 841 O THR A 54 12.621 -32.778 -58.510 1.00 0.00 O ATOM 842 CB THR A 54 11.714 -29.574 -59.318 1.00 0.00 C ATOM 843 OG1 THR A 54 10.894 -28.854 -60.253 1.00 0.00 O ATOM 844 CG2 THR A 54 12.824 -28.636 -58.826 1.00 0.00 C ATOM 0 H THR A 54 10.660 -32.247 -59.715 1.00 0.00 H new ATOM 0 HA THR A 54 12.881 -30.585 -60.815 1.00 0.00 H new ATOM 0 HB THR A 54 11.144 -29.890 -58.444 1.00 0.00 H new ATOM 0 HG1 THR A 54 10.955 -27.893 -60.069 1.00 0.00 H new ATOM 0 HG21 THR A 54 12.378 -27.748 -58.379 1.00 0.00 H new ATOM 0 HG22 THR A 54 13.432 -29.151 -58.082 1.00 0.00 H new ATOM 0 HG23 THR A 54 13.452 -28.343 -59.667 1.00 0.00 H new ATOM 852 N GLU A 55 14.366 -31.369 -58.792 1.00 0.00 N ATOM 853 CA GLU A 55 15.300 -32.116 -57.919 1.00 0.00 C ATOM 854 C GLU A 55 15.176 -31.671 -56.432 1.00 0.00 C ATOM 855 O GLU A 55 14.246 -30.944 -56.052 1.00 0.00 O ATOM 856 CB GLU A 55 16.772 -31.977 -58.442 1.00 0.00 C ATOM 857 CG GLU A 55 17.355 -30.539 -58.461 1.00 0.00 C ATOM 858 CD GLU A 55 16.901 -29.698 -59.664 1.00 0.00 C ATOM 859 OE1 GLU A 55 17.426 -29.912 -60.782 1.00 0.00 O ATOM 860 OE2 GLU A 55 16.025 -28.823 -59.509 1.00 0.00 O ATOM 0 H GLU A 55 14.774 -30.532 -59.207 1.00 0.00 H new ATOM 0 HA GLU A 55 15.026 -33.170 -57.957 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.417 -32.601 -57.823 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.816 -32.379 -59.454 1.00 0.00 H new ATOM 0 HG2 GLU A 55 17.065 -30.028 -57.543 1.00 0.00 H new ATOM 0 HG3 GLU A 55 18.443 -30.599 -58.462 1.00 0.00 H new ATOM 867 N VAL A 56 16.132 -32.143 -55.610 1.00 0.00 N ATOM 868 CA VAL A 56 16.208 -31.872 -54.166 1.00 0.00 C ATOM 869 C VAL A 56 16.869 -30.499 -53.911 1.00 0.00 C ATOM 870 O VAL A 56 17.776 -30.094 -54.652 1.00 0.00 O ATOM 871 CB VAL A 56 17.047 -33.003 -53.459 1.00 0.00 C ATOM 872 CG1 VAL A 56 17.271 -32.720 -51.956 1.00 0.00 C ATOM 873 CG2 VAL A 56 16.404 -34.394 -53.671 1.00 0.00 C ATOM 0 H VAL A 56 16.891 -32.738 -55.942 1.00 0.00 H new ATOM 0 HA VAL A 56 15.198 -31.857 -53.757 1.00 0.00 H new ATOM 0 HB VAL A 56 18.029 -33.005 -53.932 1.00 0.00 H new ATOM 0 HG11 VAL A 56 17.854 -33.529 -51.516 1.00 0.00 H new ATOM 0 HG12 VAL A 56 17.810 -31.780 -51.839 1.00 0.00 H new ATOM 0 HG13 VAL A 56 16.307 -32.651 -51.451 1.00 0.00 H new ATOM 0 HG21 VAL A 56 17.006 -35.153 -53.171 1.00 0.00 H new ATOM 0 HG22 VAL A 56 15.397 -34.397 -53.254 1.00 0.00 H new ATOM 0 HG23 VAL A 56 16.355 -34.614 -54.738 1.00 0.00 H new ATOM 883 N VAL A 57 16.395 -29.788 -52.862 1.00 0.00 N ATOM 884 CA VAL A 57 16.934 -28.479 -52.429 1.00 0.00 C ATOM 885 C VAL A 57 17.284 -28.542 -50.925 1.00 0.00 C ATOM 886 O VAL A 57 16.465 -28.981 -50.116 1.00 0.00 O ATOM 887 CB VAL A 57 15.888 -27.315 -52.678 1.00 0.00 C ATOM 888 CG1 VAL A 57 16.435 -25.927 -52.234 1.00 0.00 C ATOM 889 CG2 VAL A 57 15.426 -27.285 -54.158 1.00 0.00 C ATOM 0 H VAL A 57 15.618 -30.112 -52.286 1.00 0.00 H new ATOM 0 HA VAL A 57 17.828 -28.266 -53.015 1.00 0.00 H new ATOM 0 HB VAL A 57 15.020 -27.530 -52.055 1.00 0.00 H new ATOM 0 HG11 VAL A 57 15.683 -25.162 -52.424 1.00 0.00 H new ATOM 0 HG12 VAL A 57 16.667 -25.951 -51.169 1.00 0.00 H new ATOM 0 HG13 VAL A 57 17.339 -25.695 -52.797 1.00 0.00 H new ATOM 0 HG21 VAL A 57 14.709 -26.476 -54.299 1.00 0.00 H new ATOM 0 HG22 VAL A 57 16.288 -27.122 -54.805 1.00 0.00 H new ATOM 0 HG23 VAL A 57 14.956 -28.235 -54.412 1.00 0.00 H new ATOM 899 N PHE A 58 18.511 -28.132 -50.562 1.00 0.00 N ATOM 900 CA PHE A 58 18.918 -27.945 -49.155 1.00 0.00 C ATOM 901 C PHE A 58 18.987 -26.436 -48.856 1.00 0.00 C ATOM 902 O PHE A 58 19.817 -25.729 -49.431 1.00 0.00 O ATOM 903 CB PHE A 58 20.289 -28.623 -48.860 1.00 0.00 C ATOM 904 CG PHE A 58 20.225 -30.127 -48.565 1.00 0.00 C ATOM 905 CD1 PHE A 58 20.137 -31.064 -49.590 1.00 0.00 C ATOM 906 CD2 PHE A 58 20.276 -30.602 -47.248 1.00 0.00 C ATOM 907 CE1 PHE A 58 20.105 -32.421 -49.317 1.00 0.00 C ATOM 908 CE2 PHE A 58 20.239 -31.960 -46.979 1.00 0.00 C ATOM 909 CZ PHE A 58 20.158 -32.868 -48.014 1.00 0.00 C ATOM 0 H PHE A 58 19.249 -27.921 -51.233 1.00 0.00 H new ATOM 0 HA PHE A 58 18.180 -28.420 -48.508 1.00 0.00 H new ATOM 0 HB2 PHE A 58 20.946 -28.465 -49.715 1.00 0.00 H new ATOM 0 HB3 PHE A 58 20.748 -28.121 -48.008 1.00 0.00 H new ATOM 0 HD1 PHE A 58 20.093 -30.727 -50.615 1.00 0.00 H new ATOM 0 HD2 PHE A 58 20.345 -29.899 -46.431 1.00 0.00 H new ATOM 0 HE1 PHE A 58 20.038 -33.132 -50.128 1.00 0.00 H new ATOM 0 HE2 PHE A 58 20.274 -32.309 -45.957 1.00 0.00 H new ATOM 0 HZ PHE A 58 20.136 -33.927 -47.804 1.00 0.00 H new ATOM 919 N VAL A 59 18.114 -25.956 -47.962 1.00 0.00 N ATOM 920 CA VAL A 59 18.086 -24.547 -47.545 1.00 0.00 C ATOM 921 C VAL A 59 19.178 -24.294 -46.501 1.00 0.00 C ATOM 922 O VAL A 59 19.345 -25.067 -45.561 1.00 0.00 O ATOM 923 CB VAL A 59 16.664 -24.145 -46.994 1.00 0.00 C ATOM 924 CG1 VAL A 59 16.699 -22.881 -46.091 1.00 0.00 C ATOM 925 CG2 VAL A 59 15.673 -23.954 -48.165 1.00 0.00 C ATOM 0 H VAL A 59 17.407 -26.533 -47.507 1.00 0.00 H new ATOM 0 HA VAL A 59 18.284 -23.920 -48.415 1.00 0.00 H new ATOM 0 HB VAL A 59 16.324 -24.965 -46.362 1.00 0.00 H new ATOM 0 HG11 VAL A 59 15.691 -22.655 -45.743 1.00 0.00 H new ATOM 0 HG12 VAL A 59 17.347 -23.064 -45.234 1.00 0.00 H new ATOM 0 HG13 VAL A 59 17.084 -22.036 -46.662 1.00 0.00 H new ATOM 0 HG21 VAL A 59 14.695 -23.677 -47.772 1.00 0.00 H new ATOM 0 HG22 VAL A 59 16.036 -23.165 -48.824 1.00 0.00 H new ATOM 0 HG23 VAL A 59 15.588 -24.885 -48.725 1.00 0.00 H new ATOM 935 N ALA A 60 19.913 -23.196 -46.702 1.00 0.00 N ATOM 936 CA ALA A 60 21.058 -22.816 -45.862 1.00 0.00 C ATOM 937 C ALA A 60 20.607 -22.011 -44.627 1.00 0.00 C ATOM 938 O ALA A 60 19.568 -21.340 -44.680 1.00 0.00 O ATOM 939 CB ALA A 60 22.065 -22.019 -46.706 1.00 0.00 C ATOM 0 H ALA A 60 19.730 -22.538 -47.459 1.00 0.00 H new ATOM 0 HA ALA A 60 21.540 -23.721 -45.492 1.00 0.00 H new ATOM 0 HB1 ALA A 60 22.916 -21.736 -46.086 1.00 0.00 H new ATOM 0 HB2 ALA A 60 22.411 -22.634 -47.537 1.00 0.00 H new ATOM 0 HB3 ALA A 60 21.584 -21.121 -47.095 1.00 0.00 H new ATOM 945 N PRO A 61 21.415 -22.014 -43.512 1.00 0.00 N ATOM 946 CA PRO A 61 21.071 -21.285 -42.242 1.00 0.00 C ATOM 947 C PRO A 61 21.132 -19.731 -42.346 1.00 0.00 C ATOM 948 O PRO A 61 21.001 -19.033 -41.332 1.00 0.00 O ATOM 949 CB PRO A 61 22.143 -21.812 -41.245 1.00 0.00 C ATOM 950 CG PRO A 61 23.312 -22.176 -42.112 1.00 0.00 C ATOM 951 CD PRO A 61 22.709 -22.754 -43.373 1.00 0.00 C ATOM 0 HA PRO A 61 20.038 -21.473 -41.950 1.00 0.00 H new ATOM 0 HB2 PRO A 61 22.413 -21.051 -40.513 1.00 0.00 H new ATOM 0 HB3 PRO A 61 21.778 -22.675 -40.688 1.00 0.00 H new ATOM 0 HG2 PRO A 61 23.924 -21.302 -42.334 1.00 0.00 H new ATOM 0 HG3 PRO A 61 23.958 -22.901 -41.617 1.00 0.00 H new ATOM 0 HD2 PRO A 61 23.356 -22.597 -44.236 1.00 0.00 H new ATOM 0 HD3 PRO A 61 22.550 -23.829 -43.286 1.00 0.00 H new ATOM 959 N THR A 62 21.326 -19.203 -43.568 1.00 0.00 N ATOM 960 CA THR A 62 21.482 -17.748 -43.816 1.00 0.00 C ATOM 961 C THR A 62 20.527 -17.264 -44.929 1.00 0.00 C ATOM 962 O THR A 62 20.402 -16.057 -45.162 1.00 0.00 O ATOM 963 CB THR A 62 22.969 -17.420 -44.189 1.00 0.00 C ATOM 964 OG1 THR A 62 23.159 -16.004 -44.360 1.00 0.00 O ATOM 965 CG2 THR A 62 23.408 -18.154 -45.464 1.00 0.00 C ATOM 0 H THR A 62 21.380 -19.768 -44.415 1.00 0.00 H new ATOM 0 HA THR A 62 21.222 -17.218 -42.900 1.00 0.00 H new ATOM 0 HB THR A 62 23.587 -17.766 -43.360 1.00 0.00 H new ATOM 0 HG1 THR A 62 22.319 -15.595 -44.657 1.00 0.00 H new ATOM 0 HG21 THR A 62 24.444 -17.902 -45.691 1.00 0.00 H new ATOM 0 HG22 THR A 62 23.321 -19.230 -45.313 1.00 0.00 H new ATOM 0 HG23 THR A 62 22.771 -17.852 -46.295 1.00 0.00 H new ATOM 973 N GLY A 63 19.830 -18.211 -45.594 1.00 0.00 N ATOM 974 CA GLY A 63 18.942 -17.883 -46.723 1.00 0.00 C ATOM 975 C GLY A 63 19.587 -18.034 -48.102 1.00 0.00 C ATOM 976 O GLY A 63 18.879 -17.982 -49.117 1.00 0.00 O ATOM 0 H GLY A 63 19.867 -19.205 -45.367 1.00 0.00 H new ATOM 0 HA2 GLY A 63 18.062 -18.525 -46.675 1.00 0.00 H new ATOM 0 HA3 GLY A 63 18.594 -16.856 -46.609 1.00 0.00 H new ATOM 980 N GLU A 64 20.925 -18.218 -48.150 1.00 0.00 N ATOM 981 CA GLU A 64 21.648 -18.529 -49.407 1.00 0.00 C ATOM 982 C GLU A 64 21.480 -20.028 -49.714 1.00 0.00 C ATOM 983 O GLU A 64 22.392 -20.841 -49.516 1.00 0.00 O ATOM 984 CB GLU A 64 23.153 -18.122 -49.319 1.00 0.00 C ATOM 985 CG GLU A 64 23.955 -18.337 -50.621 1.00 0.00 C ATOM 986 CD GLU A 64 25.421 -17.893 -50.507 1.00 0.00 C ATOM 987 OE1 GLU A 64 25.759 -16.788 -50.983 1.00 0.00 O ATOM 988 OE2 GLU A 64 26.238 -18.636 -49.921 1.00 0.00 O ATOM 0 H GLU A 64 21.529 -18.157 -47.331 1.00 0.00 H new ATOM 0 HA GLU A 64 21.222 -17.946 -50.223 1.00 0.00 H new ATOM 0 HB2 GLU A 64 23.216 -17.070 -49.039 1.00 0.00 H new ATOM 0 HB3 GLU A 64 23.624 -18.693 -48.519 1.00 0.00 H new ATOM 0 HG2 GLU A 64 23.921 -19.392 -50.891 1.00 0.00 H new ATOM 0 HG3 GLU A 64 23.477 -17.786 -51.430 1.00 0.00 H new ATOM 995 N GLU A 65 20.260 -20.381 -50.148 1.00 0.00 N ATOM 996 CA GLU A 65 19.828 -21.777 -50.322 1.00 0.00 C ATOM 997 C GLU A 65 20.550 -22.449 -51.500 1.00 0.00 C ATOM 998 O GLU A 65 21.046 -21.784 -52.419 1.00 0.00 O ATOM 999 CB GLU A 65 18.291 -21.831 -50.518 1.00 0.00 C ATOM 1000 CG GLU A 65 17.786 -21.094 -51.778 1.00 0.00 C ATOM 1001 CD GLU A 65 16.258 -21.145 -51.943 1.00 0.00 C ATOM 1002 OE1 GLU A 65 15.568 -20.232 -51.446 1.00 0.00 O ATOM 1003 OE2 GLU A 65 15.743 -22.088 -52.583 1.00 0.00 O ATOM 0 H GLU A 65 19.540 -19.700 -50.390 1.00 0.00 H new ATOM 0 HA GLU A 65 20.093 -22.331 -49.421 1.00 0.00 H new ATOM 0 HB2 GLU A 65 17.980 -22.874 -50.572 1.00 0.00 H new ATOM 0 HB3 GLU A 65 17.809 -21.399 -49.641 1.00 0.00 H new ATOM 0 HG2 GLU A 65 18.105 -20.053 -51.733 1.00 0.00 H new ATOM 0 HG3 GLU A 65 18.254 -21.533 -52.659 1.00 0.00 H new ATOM 1010 N ILE A 66 20.583 -23.782 -51.459 1.00 0.00 N ATOM 1011 CA ILE A 66 21.330 -24.608 -52.407 1.00 0.00 C ATOM 1012 C ILE A 66 20.353 -25.436 -53.257 1.00 0.00 C ATOM 1013 O ILE A 66 19.598 -26.252 -52.718 1.00 0.00 O ATOM 1014 CB ILE A 66 22.298 -25.555 -51.629 1.00 0.00 C ATOM 1015 CG1 ILE A 66 23.304 -24.744 -50.740 1.00 0.00 C ATOM 1016 CG2 ILE A 66 23.014 -26.530 -52.573 1.00 0.00 C ATOM 1017 CD1 ILE A 66 24.139 -23.701 -51.449 1.00 0.00 C ATOM 0 H ILE A 66 20.084 -24.326 -50.755 1.00 0.00 H new ATOM 0 HA ILE A 66 21.914 -23.964 -53.065 1.00 0.00 H new ATOM 0 HB ILE A 66 21.694 -26.159 -50.952 1.00 0.00 H new ATOM 0 HG12 ILE A 66 22.739 -24.250 -49.949 1.00 0.00 H new ATOM 0 HG13 ILE A 66 23.979 -25.450 -50.256 1.00 0.00 H new ATOM 0 HG21 ILE A 66 23.679 -27.173 -51.996 1.00 0.00 H new ATOM 0 HG22 ILE A 66 22.276 -27.143 -53.091 1.00 0.00 H new ATOM 0 HG23 ILE A 66 23.596 -25.968 -53.303 1.00 0.00 H new ATOM 0 HD11 ILE A 66 24.794 -23.209 -50.730 1.00 0.00 H new ATOM 0 HD12 ILE A 66 24.742 -24.180 -52.220 1.00 0.00 H new ATOM 0 HD13 ILE A 66 23.484 -22.961 -51.909 1.00 0.00 H new ATOM 1029 N SER A 67 20.408 -25.232 -54.579 1.00 0.00 N ATOM 1030 CA SER A 67 19.508 -25.889 -55.547 1.00 0.00 C ATOM 1031 C SER A 67 20.122 -27.189 -56.108 1.00 0.00 C ATOM 1032 O SER A 67 19.395 -28.087 -56.558 1.00 0.00 O ATOM 1033 CB SER A 67 19.198 -24.899 -56.700 1.00 0.00 C ATOM 1034 OG SER A 67 20.389 -24.477 -57.354 1.00 0.00 O ATOM 0 H SER A 67 21.082 -24.602 -55.015 1.00 0.00 H new ATOM 0 HA SER A 67 18.587 -26.164 -55.033 1.00 0.00 H new ATOM 0 HB2 SER A 67 18.533 -25.374 -57.421 1.00 0.00 H new ATOM 0 HB3 SER A 67 18.671 -24.031 -56.305 1.00 0.00 H new ATOM 0 HG SER A 67 20.859 -23.827 -56.791 1.00 0.00 H new ATOM 1040 N ASN A 68 21.466 -27.283 -56.081 1.00 0.00 N ATOM 1041 CA ASN A 68 22.200 -28.421 -56.671 1.00 0.00 C ATOM 1042 C ASN A 68 23.399 -28.826 -55.798 1.00 0.00 C ATOM 1043 O ASN A 68 23.937 -28.010 -55.052 1.00 0.00 O ATOM 1044 CB ASN A 68 22.665 -28.096 -58.110 1.00 0.00 C ATOM 1045 CG ASN A 68 23.603 -26.897 -58.204 1.00 0.00 C ATOM 1046 OD1 ASN A 68 24.814 -27.030 -58.083 1.00 0.00 O ATOM 1047 ND2 ASN A 68 23.047 -25.720 -58.414 1.00 0.00 N ATOM 0 H ASN A 68 22.069 -26.580 -55.654 1.00 0.00 H new ATOM 0 HA ASN A 68 21.513 -29.266 -56.715 1.00 0.00 H new ATOM 0 HB2 ASN A 68 23.167 -28.970 -58.525 1.00 0.00 H new ATOM 0 HB3 ASN A 68 21.789 -27.908 -58.730 1.00 0.00 H new ATOM 0 HD21 ASN A 68 23.630 -24.885 -58.480 1.00 0.00 H new ATOM 0 HD22 ASN A 68 22.034 -25.644 -58.510 1.00 0.00 H new ATOM 1054 N ARG A 69 23.841 -30.081 -55.967 1.00 0.00 N ATOM 1055 CA ARG A 69 24.887 -30.722 -55.136 1.00 0.00 C ATOM 1056 C ARG A 69 26.262 -30.008 -55.253 1.00 0.00 C ATOM 1057 O ARG A 69 27.070 -30.036 -54.313 1.00 0.00 O ATOM 1058 CB ARG A 69 24.995 -32.215 -55.542 1.00 0.00 C ATOM 1059 CG ARG A 69 25.827 -33.085 -54.581 1.00 0.00 C ATOM 1060 CD ARG A 69 25.872 -34.562 -54.992 1.00 0.00 C ATOM 1061 NE ARG A 69 26.523 -35.406 -53.976 1.00 0.00 N ATOM 1062 CZ ARG A 69 26.625 -36.744 -54.041 1.00 0.00 C ATOM 1063 NH1 ARG A 69 26.150 -37.424 -55.077 1.00 0.00 N ATOM 1064 NH2 ARG A 69 27.219 -37.394 -53.059 1.00 0.00 N ATOM 0 H ARG A 69 23.479 -30.695 -56.696 1.00 0.00 H new ATOM 0 HA ARG A 69 24.597 -30.640 -54.089 1.00 0.00 H new ATOM 0 HB2 ARG A 69 23.990 -32.632 -55.611 1.00 0.00 H new ATOM 0 HB3 ARG A 69 25.434 -32.276 -56.538 1.00 0.00 H new ATOM 0 HG2 ARG A 69 26.844 -32.695 -54.536 1.00 0.00 H new ATOM 0 HG3 ARG A 69 25.411 -33.006 -53.577 1.00 0.00 H new ATOM 0 HD2 ARG A 69 24.857 -34.920 -55.162 1.00 0.00 H new ATOM 0 HD3 ARG A 69 26.407 -34.658 -55.937 1.00 0.00 H new ATOM 0 HE ARG A 69 26.926 -34.940 -53.163 1.00 0.00 H new ATOM 0 HH11 ARG A 69 25.696 -36.931 -55.846 1.00 0.00 H new ATOM 0 HH12 ARG A 69 26.239 -38.440 -55.104 1.00 0.00 H new ATOM 0 HH21 ARG A 69 27.595 -36.881 -52.262 1.00 0.00 H new ATOM 0 HH22 ARG A 69 27.303 -38.410 -53.097 1.00 0.00 H new ATOM 1078 N LYS A 70 26.503 -29.355 -56.407 1.00 0.00 N ATOM 1079 CA LYS A 70 27.730 -28.561 -56.652 1.00 0.00 C ATOM 1080 C LYS A 70 27.751 -27.349 -55.700 1.00 0.00 C ATOM 1081 O LYS A 70 28.750 -27.109 -55.006 1.00 0.00 O ATOM 1082 CB LYS A 70 27.793 -28.099 -58.147 1.00 0.00 C ATOM 1083 CG LYS A 70 29.212 -27.760 -58.695 1.00 0.00 C ATOM 1084 CD LYS A 70 29.846 -26.472 -58.099 1.00 0.00 C ATOM 1085 CE LYS A 70 31.286 -26.224 -58.592 1.00 0.00 C ATOM 1086 NZ LYS A 70 32.204 -27.342 -58.220 1.00 0.00 N ATOM 0 H LYS A 70 25.856 -29.361 -57.196 1.00 0.00 H new ATOM 0 HA LYS A 70 28.607 -29.179 -56.458 1.00 0.00 H new ATOM 0 HB2 LYS A 70 27.363 -28.884 -58.768 1.00 0.00 H new ATOM 0 HB3 LYS A 70 27.160 -27.219 -58.262 1.00 0.00 H new ATOM 0 HG2 LYS A 70 29.875 -28.602 -58.494 1.00 0.00 H new ATOM 0 HG3 LYS A 70 29.152 -27.652 -59.778 1.00 0.00 H new ATOM 0 HD2 LYS A 70 29.226 -25.614 -58.360 1.00 0.00 H new ATOM 0 HD3 LYS A 70 29.848 -26.545 -57.011 1.00 0.00 H new ATOM 0 HE2 LYS A 70 31.283 -26.103 -59.675 1.00 0.00 H new ATOM 0 HE3 LYS A 70 31.659 -25.292 -58.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 33.188 -27.058 -58.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 32.088 -27.565 -57.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 31.976 -28.182 -58.789 1.00 0.00 H new ATOM 1100 N GLN A 71 26.618 -26.607 -55.678 1.00 0.00 N ATOM 1101 CA GLN A 71 26.429 -25.409 -54.824 1.00 0.00 C ATOM 1102 C GLN A 71 26.667 -25.730 -53.340 1.00 0.00 C ATOM 1103 O GLN A 71 27.130 -24.872 -52.590 1.00 0.00 O ATOM 1104 CB GLN A 71 25.016 -24.789 -55.027 1.00 0.00 C ATOM 1105 CG GLN A 71 24.897 -23.794 -56.191 1.00 0.00 C ATOM 1106 CD GLN A 71 23.466 -23.293 -56.419 1.00 0.00 C ATOM 1107 OE1 GLN A 71 22.640 -23.269 -55.503 1.00 0.00 O ATOM 1108 NE2 GLN A 71 23.172 -22.855 -57.637 1.00 0.00 N ATOM 0 H GLN A 71 25.805 -26.824 -56.255 1.00 0.00 H new ATOM 0 HA GLN A 71 27.173 -24.674 -55.132 1.00 0.00 H new ATOM 0 HB2 GLN A 71 24.302 -25.597 -55.187 1.00 0.00 H new ATOM 0 HB3 GLN A 71 24.724 -24.283 -54.107 1.00 0.00 H new ATOM 0 HG2 GLN A 71 25.547 -22.940 -55.998 1.00 0.00 H new ATOM 0 HG3 GLN A 71 25.258 -24.269 -57.104 1.00 0.00 H new ATOM 0 HE21 GLN A 71 23.876 -22.887 -58.374 1.00 0.00 H new ATOM 0 HE22 GLN A 71 22.242 -22.486 -57.836 1.00 0.00 H new ATOM 1117 N LEU A 72 26.356 -26.976 -52.943 1.00 0.00 N ATOM 1118 CA LEU A 72 26.549 -27.449 -51.562 1.00 0.00 C ATOM 1119 C LEU A 72 28.062 -27.460 -51.219 1.00 0.00 C ATOM 1120 O LEU A 72 28.469 -26.874 -50.218 1.00 0.00 O ATOM 1121 CB LEU A 72 25.911 -28.866 -51.375 1.00 0.00 C ATOM 1122 CG LEU A 72 25.330 -29.223 -49.962 1.00 0.00 C ATOM 1123 CD1 LEU A 72 26.364 -29.095 -48.841 1.00 0.00 C ATOM 1124 CD2 LEU A 72 24.080 -28.389 -49.649 1.00 0.00 C ATOM 0 H LEU A 72 25.965 -27.681 -53.568 1.00 0.00 H new ATOM 0 HA LEU A 72 26.047 -26.769 -50.874 1.00 0.00 H new ATOM 0 HB2 LEU A 72 25.108 -28.971 -52.104 1.00 0.00 H new ATOM 0 HB3 LEU A 72 26.667 -29.610 -51.624 1.00 0.00 H new ATOM 0 HG LEU A 72 25.045 -30.274 -50.006 1.00 0.00 H new ATOM 0 HD11 LEU A 72 25.902 -29.355 -47.889 1.00 0.00 H new ATOM 0 HD12 LEU A 72 27.198 -29.770 -49.036 1.00 0.00 H new ATOM 0 HD13 LEU A 72 26.730 -28.069 -48.799 1.00 0.00 H new ATOM 0 HD21 LEU A 72 23.700 -28.659 -48.664 1.00 0.00 H new ATOM 0 HD22 LEU A 72 24.337 -27.330 -49.662 1.00 0.00 H new ATOM 0 HD23 LEU A 72 23.314 -28.586 -50.399 1.00 0.00 H new ATOM 1136 N GLU A 73 28.878 -28.104 -52.085 1.00 0.00 N ATOM 1137 CA GLU A 73 30.340 -28.233 -51.869 1.00 0.00 C ATOM 1138 C GLU A 73 31.021 -26.858 -51.789 1.00 0.00 C ATOM 1139 O GLU A 73 31.778 -26.582 -50.846 1.00 0.00 O ATOM 1140 CB GLU A 73 31.003 -29.046 -53.005 1.00 0.00 C ATOM 1141 CG GLU A 73 30.506 -30.485 -53.164 1.00 0.00 C ATOM 1142 CD GLU A 73 31.359 -31.286 -54.155 1.00 0.00 C ATOM 1143 OE1 GLU A 73 32.110 -32.188 -53.728 1.00 0.00 O ATOM 1144 OE2 GLU A 73 31.310 -30.990 -55.369 1.00 0.00 O ATOM 0 H GLU A 73 28.548 -28.544 -52.944 1.00 0.00 H new ATOM 0 HA GLU A 73 30.470 -28.755 -50.921 1.00 0.00 H new ATOM 0 HB2 GLU A 73 30.843 -28.519 -53.946 1.00 0.00 H new ATOM 0 HB3 GLU A 73 32.079 -29.069 -52.831 1.00 0.00 H new ATOM 0 HG2 GLU A 73 30.518 -30.981 -52.193 1.00 0.00 H new ATOM 0 HG3 GLU A 73 29.470 -30.475 -53.504 1.00 0.00 H new ATOM 1151 N GLN A 74 30.732 -26.006 -52.786 1.00 0.00 N ATOM 1152 CA GLN A 74 31.346 -24.679 -52.894 1.00 0.00 C ATOM 1153 C GLN A 74 30.890 -23.753 -51.747 1.00 0.00 C ATOM 1154 O GLN A 74 31.622 -22.839 -51.359 1.00 0.00 O ATOM 1155 CB GLN A 74 31.110 -24.074 -54.312 1.00 0.00 C ATOM 1156 CG GLN A 74 29.639 -23.824 -54.738 1.00 0.00 C ATOM 1157 CD GLN A 74 29.095 -22.435 -54.393 1.00 0.00 C ATOM 1158 OE1 GLN A 74 28.504 -22.219 -53.335 1.00 0.00 O ATOM 1159 NE2 GLN A 74 29.330 -21.473 -55.276 1.00 0.00 N ATOM 0 H GLN A 74 30.071 -26.218 -53.533 1.00 0.00 H new ATOM 0 HA GLN A 74 32.425 -24.782 -52.779 1.00 0.00 H new ATOM 0 HB2 GLN A 74 31.644 -23.126 -54.368 1.00 0.00 H new ATOM 0 HB3 GLN A 74 31.566 -24.741 -55.044 1.00 0.00 H new ATOM 0 HG2 GLN A 74 29.558 -23.973 -55.815 1.00 0.00 H new ATOM 0 HG3 GLN A 74 29.006 -24.574 -54.264 1.00 0.00 H new ATOM 0 HE21 GLN A 74 29.823 -21.686 -56.143 1.00 0.00 H new ATOM 0 HE22 GLN A 74 29.018 -20.520 -55.087 1.00 0.00 H new ATOM 1168 N TYR A 75 29.694 -24.029 -51.182 1.00 0.00 N ATOM 1169 CA TYR A 75 29.211 -23.347 -49.970 1.00 0.00 C ATOM 1170 C TYR A 75 30.115 -23.715 -48.777 1.00 0.00 C ATOM 1171 O TYR A 75 30.581 -22.834 -48.065 1.00 0.00 O ATOM 1172 CB TYR A 75 27.732 -23.726 -49.673 1.00 0.00 C ATOM 1173 CG TYR A 75 27.057 -22.924 -48.546 1.00 0.00 C ATOM 1174 CD1 TYR A 75 26.133 -21.914 -48.826 1.00 0.00 C ATOM 1175 CD2 TYR A 75 27.339 -23.178 -47.198 1.00 0.00 C ATOM 1176 CE1 TYR A 75 25.522 -21.204 -47.813 1.00 0.00 C ATOM 1177 CE2 TYR A 75 26.732 -22.467 -46.190 1.00 0.00 C ATOM 1178 CZ TYR A 75 25.829 -21.484 -46.499 1.00 0.00 C ATOM 1179 OH TYR A 75 25.222 -20.779 -45.490 1.00 0.00 O ATOM 0 H TYR A 75 29.045 -24.724 -51.552 1.00 0.00 H new ATOM 0 HA TYR A 75 29.252 -22.270 -50.131 1.00 0.00 H new ATOM 0 HB2 TYR A 75 27.151 -23.596 -50.586 1.00 0.00 H new ATOM 0 HB3 TYR A 75 27.691 -24.785 -49.417 1.00 0.00 H new ATOM 0 HD1 TYR A 75 25.893 -21.685 -49.854 1.00 0.00 H new ATOM 0 HD2 TYR A 75 28.050 -23.950 -46.944 1.00 0.00 H new ATOM 0 HE1 TYR A 75 24.805 -20.431 -48.049 1.00 0.00 H new ATOM 0 HE2 TYR A 75 26.966 -22.683 -45.158 1.00 0.00 H new ATOM 0 HH TYR A 75 25.548 -21.101 -44.624 1.00 0.00 H new ATOM 1189 N LEU A 76 30.364 -25.026 -48.591 1.00 0.00 N ATOM 1190 CA LEU A 76 31.071 -25.555 -47.402 1.00 0.00 C ATOM 1191 C LEU A 76 32.547 -25.106 -47.347 1.00 0.00 C ATOM 1192 O LEU A 76 33.062 -24.787 -46.272 1.00 0.00 O ATOM 1193 CB LEU A 76 30.972 -27.101 -47.354 1.00 0.00 C ATOM 1194 CG LEU A 76 29.530 -27.694 -47.304 1.00 0.00 C ATOM 1195 CD1 LEU A 76 29.565 -29.227 -47.218 1.00 0.00 C ATOM 1196 CD2 LEU A 76 28.690 -27.081 -46.164 1.00 0.00 C ATOM 0 H LEU A 76 30.083 -25.747 -49.256 1.00 0.00 H new ATOM 0 HA LEU A 76 30.577 -25.138 -46.524 1.00 0.00 H new ATOM 0 HB2 LEU A 76 31.479 -27.505 -48.230 1.00 0.00 H new ATOM 0 HB3 LEU A 76 31.518 -27.453 -46.479 1.00 0.00 H new ATOM 0 HG LEU A 76 29.037 -27.424 -48.238 1.00 0.00 H new ATOM 0 HD11 LEU A 76 28.546 -29.613 -47.185 1.00 0.00 H new ATOM 0 HD12 LEU A 76 30.077 -29.629 -48.093 1.00 0.00 H new ATOM 0 HD13 LEU A 76 30.097 -29.529 -46.316 1.00 0.00 H new ATOM 0 HD21 LEU A 76 27.694 -27.523 -46.168 1.00 0.00 H new ATOM 0 HD22 LEU A 76 29.173 -27.282 -45.208 1.00 0.00 H new ATOM 0 HD23 LEU A 76 28.609 -26.004 -46.310 1.00 0.00 H new ATOM 1208 N LYS A 77 33.219 -25.078 -48.514 1.00 0.00 N ATOM 1209 CA LYS A 77 34.627 -24.628 -48.611 1.00 0.00 C ATOM 1210 C LYS A 77 34.727 -23.097 -48.422 1.00 0.00 C ATOM 1211 O LYS A 77 35.780 -22.574 -48.056 1.00 0.00 O ATOM 1212 CB LYS A 77 35.265 -25.110 -49.956 1.00 0.00 C ATOM 1213 CG LYS A 77 34.634 -24.550 -51.261 1.00 0.00 C ATOM 1214 CD LYS A 77 35.210 -23.180 -51.697 1.00 0.00 C ATOM 1215 CE LYS A 77 34.531 -22.609 -52.946 1.00 0.00 C ATOM 1216 NZ LYS A 77 35.122 -21.307 -53.356 1.00 0.00 N ATOM 0 H LYS A 77 32.812 -25.361 -49.405 1.00 0.00 H new ATOM 0 HA LYS A 77 35.201 -25.083 -47.804 1.00 0.00 H new ATOM 0 HB2 LYS A 77 36.322 -24.845 -49.947 1.00 0.00 H new ATOM 0 HB3 LYS A 77 35.210 -26.198 -49.990 1.00 0.00 H new ATOM 0 HG2 LYS A 77 34.786 -25.270 -52.065 1.00 0.00 H new ATOM 0 HG3 LYS A 77 33.558 -24.453 -51.120 1.00 0.00 H new ATOM 0 HD2 LYS A 77 35.103 -22.470 -50.877 1.00 0.00 H new ATOM 0 HD3 LYS A 77 36.278 -23.287 -51.889 1.00 0.00 H new ATOM 0 HE2 LYS A 77 34.621 -23.322 -53.766 1.00 0.00 H new ATOM 0 HE3 LYS A 77 33.466 -22.479 -52.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 34.634 -20.956 -54.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 35.014 -20.618 -52.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 36.132 -21.435 -53.566 1.00 0.00 H new ATOM 1230 N SER A 78 33.616 -22.386 -48.712 1.00 0.00 N ATOM 1231 CA SER A 78 33.504 -20.927 -48.498 1.00 0.00 C ATOM 1232 C SER A 78 33.079 -20.608 -47.048 1.00 0.00 C ATOM 1233 O SER A 78 33.403 -19.541 -46.514 1.00 0.00 O ATOM 1234 CB SER A 78 32.479 -20.344 -49.503 1.00 0.00 C ATOM 1235 OG SER A 78 32.288 -18.946 -49.331 1.00 0.00 O ATOM 0 H SER A 78 32.772 -22.807 -49.101 1.00 0.00 H new ATOM 0 HA SER A 78 34.480 -20.470 -48.663 1.00 0.00 H new ATOM 0 HB2 SER A 78 32.820 -20.539 -50.520 1.00 0.00 H new ATOM 0 HB3 SER A 78 31.524 -20.856 -49.383 1.00 0.00 H new ATOM 0 HG SER A 78 31.635 -18.622 -49.986 1.00 0.00 H new ATOM 1241 N HIS A 79 32.353 -21.551 -46.425 1.00 0.00 N ATOM 1242 CA HIS A 79 31.724 -21.360 -45.105 1.00 0.00 C ATOM 1243 C HIS A 79 32.030 -22.576 -44.208 1.00 0.00 C ATOM 1244 O HIS A 79 31.265 -23.554 -44.213 1.00 0.00 O ATOM 1245 CB HIS A 79 30.185 -21.177 -45.253 1.00 0.00 C ATOM 1246 CG HIS A 79 29.779 -20.062 -46.170 1.00 0.00 C ATOM 1247 ND1 HIS A 79 29.451 -20.265 -47.494 1.00 0.00 N ATOM 1248 CD2 HIS A 79 29.661 -18.733 -45.956 1.00 0.00 C ATOM 1249 CE1 HIS A 79 29.164 -19.112 -48.054 1.00 0.00 C ATOM 1250 NE2 HIS A 79 29.279 -18.168 -47.144 1.00 0.00 N ATOM 0 H HIS A 79 32.184 -22.474 -46.825 1.00 0.00 H new ATOM 0 HA HIS A 79 32.133 -20.460 -44.646 1.00 0.00 H new ATOM 0 HB2 HIS A 79 29.754 -22.108 -45.621 1.00 0.00 H new ATOM 0 HB3 HIS A 79 29.757 -20.995 -44.267 1.00 0.00 H new ATOM 0 HD1 HIS A 79 29.434 -21.170 -47.965 1.00 0.00 H new ATOM 0 HD2 HIS A 79 29.835 -18.214 -45.025 1.00 0.00 H new ATOM 0 HE1 HIS A 79 28.882 -18.964 -49.086 1.00 0.00 H new ATOM 1259 N PRO A 80 33.177 -22.561 -43.453 1.00 0.00 N ATOM 1260 CA PRO A 80 33.525 -23.653 -42.512 1.00 0.00 C ATOM 1261 C PRO A 80 32.585 -23.661 -41.289 1.00 0.00 C ATOM 1262 O PRO A 80 31.922 -22.655 -40.999 1.00 0.00 O ATOM 1263 CB PRO A 80 34.992 -23.337 -42.127 1.00 0.00 C ATOM 1264 CG PRO A 80 35.121 -21.852 -42.295 1.00 0.00 C ATOM 1265 CD PRO A 80 34.207 -21.479 -43.447 1.00 0.00 C ATOM 0 HA PRO A 80 33.416 -24.647 -42.945 1.00 0.00 H new ATOM 0 HB2 PRO A 80 35.206 -23.639 -41.102 1.00 0.00 H new ATOM 0 HB3 PRO A 80 35.693 -23.870 -42.769 1.00 0.00 H new ATOM 0 HG2 PRO A 80 34.832 -21.330 -41.383 1.00 0.00 H new ATOM 0 HG3 PRO A 80 36.152 -21.572 -42.509 1.00 0.00 H new ATOM 0 HD2 PRO A 80 33.755 -20.498 -43.297 1.00 0.00 H new ATOM 0 HD3 PRO A 80 34.750 -21.439 -44.391 1.00 0.00 H new ATOM 1273 N GLY A 81 32.518 -24.804 -40.590 1.00 0.00 N ATOM 1274 CA GLY A 81 31.612 -24.970 -39.446 1.00 0.00 C ATOM 1275 C GLY A 81 30.289 -25.633 -39.842 1.00 0.00 C ATOM 1276 O GLY A 81 29.702 -26.374 -39.044 1.00 0.00 O ATOM 0 H GLY A 81 33.082 -25.628 -40.798 1.00 0.00 H new ATOM 0 HA2 GLY A 81 32.103 -25.572 -38.681 1.00 0.00 H new ATOM 0 HA3 GLY A 81 31.409 -23.995 -39.002 1.00 0.00 H new ATOM 1280 N ASN A 82 29.827 -25.361 -41.082 1.00 0.00 N ATOM 1281 CA ASN A 82 28.611 -25.968 -41.650 1.00 0.00 C ATOM 1282 C ASN A 82 28.798 -27.496 -41.839 1.00 0.00 C ATOM 1283 O ASN A 82 29.901 -27.939 -42.182 1.00 0.00 O ATOM 1284 CB ASN A 82 28.257 -25.291 -43.011 1.00 0.00 C ATOM 1285 CG ASN A 82 27.744 -23.857 -42.855 1.00 0.00 C ATOM 1286 OD1 ASN A 82 26.537 -23.620 -42.771 1.00 0.00 O ATOM 1287 ND2 ASN A 82 28.656 -22.892 -42.809 1.00 0.00 N ATOM 0 H ASN A 82 30.291 -24.711 -41.717 1.00 0.00 H new ATOM 0 HA ASN A 82 27.788 -25.808 -40.954 1.00 0.00 H new ATOM 0 HB2 ASN A 82 29.141 -25.286 -43.648 1.00 0.00 H new ATOM 0 HB3 ASN A 82 27.500 -25.888 -43.520 1.00 0.00 H new ATOM 0 HD21 ASN A 82 28.365 -21.920 -42.701 1.00 0.00 H new ATOM 0 HD22 ASN A 82 29.647 -23.123 -42.881 1.00 0.00 H new ATOM 1294 N PRO A 83 27.716 -28.314 -41.614 1.00 0.00 N ATOM 1295 CA PRO A 83 27.759 -29.798 -41.737 1.00 0.00 C ATOM 1296 C PRO A 83 28.289 -30.290 -43.102 1.00 0.00 C ATOM 1297 O PRO A 83 28.218 -29.568 -44.100 1.00 0.00 O ATOM 1298 CB PRO A 83 26.284 -30.229 -41.539 1.00 0.00 C ATOM 1299 CG PRO A 83 25.644 -29.103 -40.794 1.00 0.00 C ATOM 1300 CD PRO A 83 26.369 -27.845 -41.218 1.00 0.00 C ATOM 0 HA PRO A 83 28.447 -30.229 -41.010 1.00 0.00 H new ATOM 0 HB2 PRO A 83 25.791 -30.398 -42.496 1.00 0.00 H new ATOM 0 HB3 PRO A 83 26.218 -31.161 -40.977 1.00 0.00 H new ATOM 0 HG2 PRO A 83 24.581 -29.037 -41.028 1.00 0.00 H new ATOM 0 HG3 PRO A 83 25.725 -29.254 -39.718 1.00 0.00 H new ATOM 0 HD2 PRO A 83 25.860 -27.353 -42.047 1.00 0.00 H new ATOM 0 HD3 PRO A 83 26.423 -27.123 -40.403 1.00 0.00 H new ATOM 1308 N ALA A 84 28.794 -31.532 -43.114 1.00 0.00 N ATOM 1309 CA ALA A 84 29.396 -32.167 -44.304 1.00 0.00 C ATOM 1310 C ALA A 84 28.334 -32.463 -45.382 1.00 0.00 C ATOM 1311 O ALA A 84 27.167 -32.663 -45.062 1.00 0.00 O ATOM 1312 CB ALA A 84 30.113 -33.460 -43.881 1.00 0.00 C ATOM 0 H ALA A 84 28.798 -32.134 -42.290 1.00 0.00 H new ATOM 0 HA ALA A 84 30.118 -31.477 -44.741 1.00 0.00 H new ATOM 0 HB1 ALA A 84 30.559 -33.932 -44.757 1.00 0.00 H new ATOM 0 HB2 ALA A 84 30.894 -33.223 -43.159 1.00 0.00 H new ATOM 0 HB3 ALA A 84 29.395 -34.143 -43.427 1.00 0.00 H new ATOM 1318 N ILE A 85 28.748 -32.490 -46.661 1.00 0.00 N ATOM 1319 CA ILE A 85 27.846 -32.868 -47.775 1.00 0.00 C ATOM 1320 C ILE A 85 27.618 -34.398 -47.785 1.00 0.00 C ATOM 1321 O ILE A 85 26.608 -34.884 -48.311 1.00 0.00 O ATOM 1322 CB ILE A 85 28.384 -32.359 -49.171 1.00 0.00 C ATOM 1323 CG1 ILE A 85 27.340 -32.630 -50.304 1.00 0.00 C ATOM 1324 CG2 ILE A 85 29.771 -32.953 -49.512 1.00 0.00 C ATOM 1325 CD1 ILE A 85 27.752 -32.153 -51.678 1.00 0.00 C ATOM 0 H ILE A 85 29.697 -32.256 -46.953 1.00 0.00 H new ATOM 0 HA ILE A 85 26.888 -32.375 -47.610 1.00 0.00 H new ATOM 0 HB ILE A 85 28.520 -31.280 -49.096 1.00 0.00 H new ATOM 0 HG12 ILE A 85 27.146 -33.702 -50.351 1.00 0.00 H new ATOM 0 HG13 ILE A 85 26.400 -32.148 -50.035 1.00 0.00 H new ATOM 0 HG21 ILE A 85 30.101 -32.575 -50.480 1.00 0.00 H new ATOM 0 HG22 ILE A 85 30.490 -32.663 -48.745 1.00 0.00 H new ATOM 0 HG23 ILE A 85 29.702 -34.040 -49.551 1.00 0.00 H new ATOM 0 HD11 ILE A 85 26.965 -32.385 -52.395 1.00 0.00 H new ATOM 0 HD12 ILE A 85 27.916 -31.076 -51.655 1.00 0.00 H new ATOM 0 HD13 ILE A 85 28.673 -32.654 -51.976 1.00 0.00 H new ATOM 1337 N ALA A 86 28.552 -35.139 -47.158 1.00 0.00 N ATOM 1338 CA ALA A 86 28.493 -36.610 -47.021 1.00 0.00 C ATOM 1339 C ALA A 86 27.217 -37.074 -46.282 1.00 0.00 C ATOM 1340 O ALA A 86 26.598 -38.078 -46.655 1.00 0.00 O ATOM 1341 CB ALA A 86 29.748 -37.102 -46.282 1.00 0.00 C ATOM 0 H ALA A 86 29.380 -34.729 -46.726 1.00 0.00 H new ATOM 0 HA ALA A 86 28.457 -37.043 -48.021 1.00 0.00 H new ATOM 0 HB1 ALA A 86 29.708 -38.186 -46.179 1.00 0.00 H new ATOM 0 HB2 ALA A 86 30.637 -36.824 -46.849 1.00 0.00 H new ATOM 0 HB3 ALA A 86 29.791 -36.645 -45.293 1.00 0.00 H new ATOM 1347 N GLU A 87 26.836 -36.321 -45.232 1.00 0.00 N ATOM 1348 CA GLU A 87 25.634 -36.609 -44.412 1.00 0.00 C ATOM 1349 C GLU A 87 24.353 -36.013 -45.049 1.00 0.00 C ATOM 1350 O GLU A 87 23.237 -36.266 -44.567 1.00 0.00 O ATOM 1351 CB GLU A 87 25.840 -36.063 -42.973 1.00 0.00 C ATOM 1352 CG GLU A 87 26.095 -34.549 -42.911 1.00 0.00 C ATOM 1353 CD GLU A 87 26.437 -34.032 -41.508 1.00 0.00 C ATOM 1354 OE1 GLU A 87 27.642 -33.893 -41.186 1.00 0.00 O ATOM 1355 OE2 GLU A 87 25.509 -33.758 -40.716 1.00 0.00 O ATOM 0 H GLU A 87 27.350 -35.495 -44.925 1.00 0.00 H new ATOM 0 HA GLU A 87 25.499 -37.690 -44.369 1.00 0.00 H new ATOM 0 HB2 GLU A 87 24.958 -36.298 -42.376 1.00 0.00 H new ATOM 0 HB3 GLU A 87 26.682 -36.582 -42.515 1.00 0.00 H new ATOM 0 HG2 GLU A 87 26.912 -34.300 -43.588 1.00 0.00 H new ATOM 0 HG3 GLU A 87 25.210 -34.026 -43.274 1.00 0.00 H new ATOM 1362 N PHE A 88 24.528 -35.192 -46.105 1.00 0.00 N ATOM 1363 CA PHE A 88 23.411 -34.587 -46.856 1.00 0.00 C ATOM 1364 C PHE A 88 22.907 -35.572 -47.921 1.00 0.00 C ATOM 1365 O PHE A 88 23.610 -35.904 -48.882 1.00 0.00 O ATOM 1366 CB PHE A 88 23.831 -33.225 -47.481 1.00 0.00 C ATOM 1367 CG PHE A 88 23.943 -32.064 -46.490 1.00 0.00 C ATOM 1368 CD1 PHE A 88 23.848 -30.754 -46.928 1.00 0.00 C ATOM 1369 CD2 PHE A 88 24.130 -32.277 -45.126 1.00 0.00 C ATOM 1370 CE1 PHE A 88 23.942 -29.697 -46.051 1.00 0.00 C ATOM 1371 CE2 PHE A 88 24.227 -31.221 -44.252 1.00 0.00 C ATOM 1372 CZ PHE A 88 24.131 -29.929 -44.714 1.00 0.00 C ATOM 0 H PHE A 88 25.448 -34.931 -46.460 1.00 0.00 H new ATOM 0 HA PHE A 88 22.591 -34.380 -46.168 1.00 0.00 H new ATOM 0 HB2 PHE A 88 24.793 -33.352 -47.978 1.00 0.00 H new ATOM 0 HB3 PHE A 88 23.107 -32.957 -48.251 1.00 0.00 H new ATOM 0 HD1 PHE A 88 23.697 -30.557 -47.979 1.00 0.00 H new ATOM 0 HD2 PHE A 88 24.200 -33.287 -44.750 1.00 0.00 H new ATOM 0 HE1 PHE A 88 23.867 -28.684 -46.417 1.00 0.00 H new ATOM 0 HE2 PHE A 88 24.379 -31.406 -43.199 1.00 0.00 H new ATOM 0 HZ PHE A 88 24.204 -29.100 -44.025 1.00 0.00 H new ATOM 1382 N ASP A 89 21.676 -36.036 -47.705 1.00 0.00 N ATOM 1383 CA ASP A 89 21.049 -37.117 -48.468 1.00 0.00 C ATOM 1384 C ASP A 89 20.220 -36.561 -49.645 1.00 0.00 C ATOM 1385 O ASP A 89 19.028 -36.255 -49.523 1.00 0.00 O ATOM 1386 CB ASP A 89 20.193 -38.008 -47.502 1.00 0.00 C ATOM 1387 CG ASP A 89 19.042 -37.273 -46.768 1.00 0.00 C ATOM 1388 OD1 ASP A 89 19.252 -36.146 -46.259 1.00 0.00 O ATOM 1389 OD2 ASP A 89 17.919 -37.816 -46.683 1.00 0.00 O ATOM 0 H ASP A 89 21.071 -35.661 -46.975 1.00 0.00 H new ATOM 0 HA ASP A 89 21.823 -37.744 -48.911 1.00 0.00 H new ATOM 0 HB2 ASP A 89 19.768 -38.832 -48.075 1.00 0.00 H new ATOM 0 HB3 ASP A 89 20.856 -38.447 -46.756 1.00 0.00 H new ATOM 1394 N TRP A 90 20.893 -36.385 -50.791 1.00 0.00 N ATOM 1395 CA TRP A 90 20.246 -35.996 -52.070 1.00 0.00 C ATOM 1396 C TRP A 90 19.515 -37.208 -52.699 1.00 0.00 C ATOM 1397 O TRP A 90 18.578 -37.053 -53.482 1.00 0.00 O ATOM 1398 CB TRP A 90 21.313 -35.430 -53.046 1.00 0.00 C ATOM 1399 CG TRP A 90 22.049 -34.216 -52.512 1.00 0.00 C ATOM 1400 CD1 TRP A 90 23.145 -34.209 -51.689 1.00 0.00 C ATOM 1401 CD2 TRP A 90 21.735 -32.835 -52.761 1.00 0.00 C ATOM 1402 NE1 TRP A 90 23.532 -32.924 -51.425 1.00 0.00 N ATOM 1403 CE2 TRP A 90 22.680 -32.063 -52.069 1.00 0.00 C ATOM 1404 CE3 TRP A 90 20.747 -32.180 -53.501 1.00 0.00 C ATOM 1405 CZ2 TRP A 90 22.668 -30.674 -52.099 1.00 0.00 C ATOM 1406 CZ3 TRP A 90 20.737 -30.796 -53.524 1.00 0.00 C ATOM 1407 CH2 TRP A 90 21.691 -30.058 -52.827 1.00 0.00 C ATOM 0 H TRP A 90 21.903 -36.506 -50.866 1.00 0.00 H new ATOM 0 HA TRP A 90 19.505 -35.222 -51.872 1.00 0.00 H new ATOM 0 HB2 TRP A 90 22.038 -36.213 -53.271 1.00 0.00 H new ATOM 0 HB3 TRP A 90 20.828 -35.165 -53.986 1.00 0.00 H new ATOM 0 HD1 TRP A 90 23.633 -35.092 -51.304 1.00 0.00 H new ATOM 0 HE1 TRP A 90 24.325 -32.651 -50.844 1.00 0.00 H new ATOM 0 HE3 TRP A 90 20.004 -32.744 -54.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 23.409 -30.099 -51.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 19.977 -30.280 -54.092 1.00 0.00 H new ATOM 0 HH2 TRP A 90 21.657 -28.979 -52.863 1.00 0.00 H new ATOM 1418 N THR A 91 19.953 -38.410 -52.286 1.00 0.00 N ATOM 1419 CA THR A 91 19.443 -39.722 -52.751 1.00 0.00 C ATOM 1420 C THR A 91 18.203 -40.183 -51.931 1.00 0.00 C ATOM 1421 O THR A 91 17.791 -41.345 -52.018 1.00 0.00 O ATOM 1422 CB THR A 91 20.606 -40.786 -52.673 1.00 0.00 C ATOM 1423 OG1 THR A 91 20.187 -42.055 -53.210 1.00 0.00 O ATOM 1424 CG2 THR A 91 21.120 -40.987 -51.231 1.00 0.00 C ATOM 0 H THR A 91 20.698 -38.504 -51.595 1.00 0.00 H new ATOM 0 HA THR A 91 19.113 -39.623 -53.785 1.00 0.00 H new ATOM 0 HB THR A 91 21.424 -40.389 -53.275 1.00 0.00 H new ATOM 0 HG1 THR A 91 19.223 -42.166 -53.074 1.00 0.00 H new ATOM 0 HG21 THR A 91 21.919 -41.728 -51.230 1.00 0.00 H new ATOM 0 HG22 THR A 91 21.501 -40.041 -50.846 1.00 0.00 H new ATOM 0 HG23 THR A 91 20.303 -41.333 -50.598 1.00 0.00 H new ATOM 1432 N THR A 92 17.580 -39.241 -51.192 1.00 0.00 N ATOM 1433 CA THR A 92 16.586 -39.531 -50.139 1.00 0.00 C ATOM 1434 C THR A 92 15.343 -40.305 -50.649 1.00 0.00 C ATOM 1435 O THR A 92 14.847 -41.209 -49.964 1.00 0.00 O ATOM 1436 CB THR A 92 16.123 -38.194 -49.474 1.00 0.00 C ATOM 1437 OG1 THR A 92 15.225 -38.445 -48.384 1.00 0.00 O ATOM 1438 CG2 THR A 92 15.457 -37.226 -50.472 1.00 0.00 C ATOM 0 H THR A 92 17.756 -38.244 -51.312 1.00 0.00 H new ATOM 0 HA THR A 92 17.084 -40.178 -49.417 1.00 0.00 H new ATOM 0 HB THR A 92 17.029 -37.716 -49.102 1.00 0.00 H new ATOM 0 HG1 THR A 92 15.200 -37.663 -47.794 1.00 0.00 H new ATOM 0 HG21 THR A 92 15.157 -36.316 -49.952 1.00 0.00 H new ATOM 0 HG22 THR A 92 16.164 -36.975 -51.263 1.00 0.00 H new ATOM 0 HG23 THR A 92 14.578 -37.701 -50.908 1.00 0.00 H new ATOM 1446 N SER A 93 14.864 -39.952 -51.857 1.00 0.00 N ATOM 1447 CA SER A 93 13.658 -40.536 -52.463 1.00 0.00 C ATOM 1448 C SER A 93 13.698 -40.335 -53.985 1.00 0.00 C ATOM 1449 O SER A 93 13.872 -39.202 -54.460 1.00 0.00 O ATOM 1450 CB SER A 93 12.363 -39.887 -51.884 1.00 0.00 C ATOM 1451 OG SER A 93 12.238 -40.096 -50.483 1.00 0.00 O ATOM 0 H SER A 93 15.310 -39.246 -52.443 1.00 0.00 H new ATOM 0 HA SER A 93 13.640 -41.600 -52.229 1.00 0.00 H new ATOM 0 HB2 SER A 93 12.371 -38.817 -52.091 1.00 0.00 H new ATOM 0 HB3 SER A 93 11.492 -40.303 -52.391 1.00 0.00 H new ATOM 0 HG SER A 93 11.415 -39.672 -50.161 1.00 0.00 H new ATOM 1457 N GLY A 94 13.556 -41.440 -54.740 1.00 0.00 N ATOM 1458 CA GLY A 94 13.315 -41.378 -56.182 1.00 0.00 C ATOM 1459 C GLY A 94 11.838 -41.107 -56.452 1.00 0.00 C ATOM 1460 O GLY A 94 11.112 -42.012 -56.861 1.00 0.00 O ATOM 0 H GLY A 94 13.605 -42.388 -54.367 1.00 0.00 H new ATOM 0 HA2 GLY A 94 13.925 -40.592 -56.628 1.00 0.00 H new ATOM 0 HA3 GLY A 94 13.613 -42.317 -56.650 1.00 0.00 H new ATOM 1464 N THR A 95 11.426 -39.843 -56.195 1.00 0.00 N ATOM 1465 CA THR A 95 10.015 -39.385 -56.143 1.00 0.00 C ATOM 1466 C THR A 95 9.161 -40.252 -55.167 1.00 0.00 C ATOM 1467 O THR A 95 9.270 -40.045 -53.937 1.00 0.00 O ATOM 1468 CB THR A 95 9.360 -39.232 -57.578 1.00 0.00 C ATOM 1469 OG1 THR A 95 9.388 -40.473 -58.298 1.00 0.00 O ATOM 1470 CG2 THR A 95 10.059 -38.147 -58.431 1.00 0.00 C ATOM 1471 OXT THR A 95 8.444 -41.172 -55.618 1.00 0.00 O ATOM 0 H THR A 95 12.087 -39.088 -56.012 1.00 0.00 H new ATOM 0 HA THR A 95 10.028 -38.377 -55.729 1.00 0.00 H new ATOM 0 HB THR A 95 8.327 -38.928 -57.406 1.00 0.00 H new ATOM 0 HG1 THR A 95 9.862 -41.148 -57.769 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.573 -38.081 -59.405 1.00 0.00 H new ATOM 0 HG22 THR A 95 9.989 -37.185 -57.924 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.108 -38.410 -58.566 1.00 0.00 H new TER 1479 THR A 95