USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 757 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 69 GLN :FLIP amide:sc= -1.26 F(o=-3.6,f=-2.8) USER MOD Set 1.2: A 82 HIS :FLIP no HE2:sc= -1.54 F(o=-4.5!,f=-2.8) USER MOD Set 2.1: A 8 CYS SG : rot 10:sc= 0.778 USER MOD Set 2.2: A 36 SER OG : rot -79:sc= 1.36 USER MOD Set 3.1: A 21 GLN : amide:sc= 0.713 K(o=0.72,f=-2.5) USER MOD Set 3.2: A 29 LYS NZ :NH3+ -124:sc= 0.00325 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -112:sc= -0.0242 (180deg=-0.631) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.66) USER MOD Single : A 18 GLN : amide:sc= 0.31 K(o=0.31,f=-1.9) USER MOD Single : A 23 TYR OH : rot 30:sc= -0.918 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.0874 X(o=-0.087,f=-0.57) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.616 K(o=-0.62,f=-2.3!) USER MOD Single : A 44 GLN :FLIP amide:sc= -0.268 F(o=-0.84,f=-0.27) USER MOD Single : A 45 HIS : no HD1:sc= -0.0179 X(o=-0.018,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -102:sc= 0.127 (180deg=-1.27!) USER MOD Single : A 47 GLN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 172:sc= 0 (180deg=-0.0364) USER MOD Single : A 52 ASN : amide:sc= -0.875 K(o=-0.87,f=-3.6!) USER MOD Single : A 54 LYS NZ :NH3+ -141:sc= -1.44 (180deg=-3.33!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN :FLIP amide:sc= -0.0291 F(o=-0.56,f=-0.029) USER MOD Single : A 58 MET CE :methyl 172:sc= -7.68! (180deg=-8.53!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.0459 X(o=-0.046,f=-0.33) USER MOD Single : A 63 HIS : no HD1:sc= -3 K(o=-3,f=-10!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl -153:sc= -3.93 (180deg=-7.06!) USER MOD Single : A 73 ASN : amide:sc= -0.0217 X(o=-0.022,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 145:sc= -0.61 (180deg=-2.79!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.00369 USER MOD Single : A 91 LYS NZ :NH3+ -157:sc= -0.0418 (180deg=-0.298) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.693 -23.361 50.691 1.00 74.34 N ATOM 2 CA MET A 1 -4.108 -23.048 49.296 1.00 5.24 C ATOM 3 C MET A 1 -3.690 -21.635 48.903 1.00 63.22 C ATOM 4 O MET A 1 -3.335 -20.821 49.756 1.00 43.14 O ATOM 5 CB MET A 1 -5.627 -23.197 49.195 1.00 32.40 C ATOM 6 CG MET A 1 -6.394 -22.227 50.078 1.00 40.53 C ATOM 7 SD MET A 1 -7.076 -20.836 49.154 1.00 23.45 S ATOM 8 CE MET A 1 -8.825 -21.223 49.198 1.00 0.14 C ATOM 0 H1 MET A 1 -2.950 -24.089 50.677 1.00 74.34 H new ATOM 0 H2 MET A 1 -3.326 -22.501 51.145 1.00 74.34 H new ATOM 0 H3 MET A 1 -4.512 -23.712 51.226 1.00 74.34 H new ATOM 0 HA MET A 1 -3.616 -23.739 48.611 1.00 5.24 H new ATOM 0 HB2 MET A 1 -5.930 -23.049 48.158 1.00 32.40 H new ATOM 0 HB3 MET A 1 -5.902 -24.216 49.465 1.00 32.40 H new ATOM 0 HG2 MET A 1 -7.204 -22.759 50.577 1.00 40.53 H new ATOM 0 HG3 MET A 1 -5.732 -21.850 50.858 1.00 40.53 H new ATOM 0 HE1 MET A 1 -9.382 -20.452 48.666 1.00 0.14 H new ATOM 0 HE2 MET A 1 -8.996 -22.188 48.721 1.00 0.14 H new ATOM 0 HE3 MET A 1 -9.162 -21.265 50.234 1.00 0.14 H new ATOM 20 N GLY A 2 -3.734 -21.351 47.605 1.00 62.30 N ATOM 21 CA GLY A 2 -3.358 -20.036 47.119 1.00 74.12 C ATOM 22 C GLY A 2 -3.551 -19.893 45.622 1.00 25.02 C ATOM 23 O GLY A 2 -2.655 -19.436 44.915 1.00 24.42 O ATOM 0 H GLY A 2 -4.023 -22.008 46.881 1.00 62.30 H new ATOM 0 HA2 GLY A 2 -3.951 -19.279 47.632 1.00 74.12 H new ATOM 0 HA3 GLY A 2 -2.314 -19.845 47.367 1.00 74.12 H new ATOM 27 N SER A 3 -4.727 -20.284 45.140 1.00 50.14 N ATOM 28 CA SER A 3 -5.039 -20.196 43.717 1.00 44.11 C ATOM 29 C SER A 3 -6.505 -19.835 43.503 1.00 63.22 C ATOM 30 O SER A 3 -7.400 -20.631 43.788 1.00 1.32 O ATOM 31 CB SER A 3 -4.720 -21.520 43.021 1.00 62.01 C ATOM 32 OG SER A 3 -3.340 -21.829 43.116 1.00 44.20 O ATOM 0 H SER A 3 -5.480 -20.665 45.714 1.00 50.14 H new ATOM 0 HA SER A 3 -4.423 -19.408 43.283 1.00 44.11 H new ATOM 0 HB2 SER A 3 -5.307 -22.321 43.471 1.00 62.01 H new ATOM 0 HB3 SER A 3 -5.011 -21.462 41.972 1.00 62.01 H new ATOM 0 HG SER A 3 -3.164 -22.681 42.665 1.00 44.20 H new ATOM 38 N ARG A 4 -6.744 -18.626 43.006 1.00 31.34 N ATOM 39 CA ARG A 4 -8.102 -18.155 42.757 1.00 43.33 C ATOM 40 C ARG A 4 -8.414 -18.141 41.264 1.00 64.44 C ATOM 41 O ARG A 4 -7.901 -17.305 40.521 1.00 62.35 O ATOM 42 CB ARG A 4 -8.287 -16.753 43.341 1.00 75.15 C ATOM 43 CG ARG A 4 -9.740 -16.375 43.574 1.00 51.01 C ATOM 44 CD ARG A 4 -10.255 -16.935 44.888 1.00 3.44 C ATOM 45 NE ARG A 4 -11.703 -16.788 45.016 1.00 11.55 N ATOM 46 CZ ARG A 4 -12.584 -17.483 44.302 1.00 0.02 C ATOM 47 NH1 ARG A 4 -12.170 -18.376 43.410 1.00 3.51 N ATOM 48 NH2 ARG A 4 -13.883 -17.286 44.479 1.00 22.33 N ATOM 0 H ARG A 4 -6.015 -17.954 42.768 1.00 31.34 H new ATOM 0 HA ARG A 4 -8.793 -18.843 43.244 1.00 43.33 H new ATOM 0 HB2 ARG A 4 -7.748 -16.689 44.286 1.00 75.15 H new ATOM 0 HB3 ARG A 4 -7.835 -16.026 42.667 1.00 75.15 H new ATOM 0 HG2 ARG A 4 -9.839 -15.290 43.576 1.00 51.01 H new ATOM 0 HG3 ARG A 4 -10.351 -16.750 42.753 1.00 51.01 H new ATOM 0 HD2 ARG A 4 -9.990 -17.990 44.961 1.00 3.44 H new ATOM 0 HD3 ARG A 4 -9.764 -16.425 45.717 1.00 3.44 H new ATOM 0 HE ARG A 4 -12.059 -16.113 45.693 1.00 11.55 H new ATOM 0 HH11 ARG A 4 -11.172 -18.532 43.270 1.00 3.51 H new ATOM 0 HH12 ARG A 4 -12.850 -18.906 42.865 1.00 3.51 H new ATOM 0 HH21 ARG A 4 -14.207 -16.602 45.163 1.00 22.33 H new ATOM 0 HH22 ARG A 4 -14.559 -17.819 43.932 1.00 22.33 H new ATOM 62 N THR A 5 -9.261 -19.071 40.831 1.00 61.43 N ATOM 63 CA THR A 5 -9.646 -19.161 39.425 1.00 75.42 C ATOM 64 C THR A 5 -11.041 -18.582 39.213 1.00 53.15 C ATOM 65 O THR A 5 -12.027 -19.109 39.729 1.00 32.22 O ATOM 66 CB THR A 5 -9.611 -20.620 38.957 1.00 2.14 C ATOM 67 OG1 THR A 5 -8.500 -21.302 39.514 1.00 3.05 O ATOM 68 CG2 THR A 5 -9.531 -20.763 37.451 1.00 34.41 C ATOM 0 H THR A 5 -9.693 -19.772 41.432 1.00 61.43 H new ATOM 0 HA THR A 5 -8.934 -18.582 38.837 1.00 75.42 H new ATOM 0 HB THR A 5 -10.550 -21.055 39.299 1.00 2.14 H new ATOM 0 HG1 THR A 5 -8.498 -22.232 39.204 1.00 3.05 H new ATOM 0 HG21 THR A 5 -9.510 -21.820 37.187 1.00 34.41 H new ATOM 0 HG22 THR A 5 -10.401 -20.292 36.994 1.00 34.41 H new ATOM 0 HG23 THR A 5 -8.624 -20.280 37.087 1.00 34.41 H new ATOM 76 N ILE A 6 -11.118 -17.495 38.452 1.00 1.53 N ATOM 77 CA ILE A 6 -12.396 -16.847 38.178 1.00 33.41 C ATOM 78 C ILE A 6 -13.151 -17.573 37.070 1.00 11.10 C ATOM 79 O ILE A 6 -12.707 -18.611 36.578 1.00 72.21 O ATOM 80 CB ILE A 6 -12.208 -15.367 37.775 1.00 12.34 C ATOM 81 CG1 ILE A 6 -11.487 -15.255 36.427 1.00 14.45 C ATOM 82 CG2 ILE A 6 -11.440 -14.617 38.855 1.00 42.42 C ATOM 83 CD1 ILE A 6 -11.655 -13.909 35.760 1.00 23.21 C ATOM 0 H ILE A 6 -10.313 -17.045 38.015 1.00 1.53 H new ATOM 0 HA ILE A 6 -12.976 -16.890 39.100 1.00 33.41 H new ATOM 0 HB ILE A 6 -13.194 -14.914 37.670 1.00 12.34 H new ATOM 0 HG12 ILE A 6 -10.424 -15.447 36.576 1.00 14.45 H new ATOM 0 HG13 ILE A 6 -11.861 -16.031 35.759 1.00 14.45 H new ATOM 0 HG21 ILE A 6 -11.316 -13.576 38.557 1.00 42.42 H new ATOM 0 HG22 ILE A 6 -11.994 -14.662 39.793 1.00 42.42 H new ATOM 0 HG23 ILE A 6 -10.460 -15.075 38.990 1.00 42.42 H new ATOM 0 HD11 ILE A 6 -11.118 -13.903 34.812 1.00 23.21 H new ATOM 0 HD12 ILE A 6 -12.713 -13.722 35.579 1.00 23.21 H new ATOM 0 HD13 ILE A 6 -11.255 -13.129 36.408 1.00 23.21 H new ATOM 95 N PHE A 7 -14.288 -17.014 36.672 1.00 13.34 N ATOM 96 CA PHE A 7 -15.095 -17.600 35.613 1.00 50.22 C ATOM 97 C PHE A 7 -15.221 -16.639 34.440 1.00 42.14 C ATOM 98 O PHE A 7 -16.065 -15.743 34.446 1.00 72.41 O ATOM 99 CB PHE A 7 -16.484 -17.978 36.128 1.00 50.24 C ATOM 100 CG PHE A 7 -17.224 -18.902 35.205 1.00 70.43 C ATOM 101 CD1 PHE A 7 -16.808 -20.213 35.039 1.00 13.11 C ATOM 102 CD2 PHE A 7 -18.333 -18.460 34.500 1.00 40.51 C ATOM 103 CE1 PHE A 7 -17.480 -21.067 34.186 1.00 14.44 C ATOM 104 CE2 PHE A 7 -19.011 -19.310 33.646 1.00 31.12 C ATOM 105 CZ PHE A 7 -18.585 -20.615 33.489 1.00 21.53 C ATOM 0 H PHE A 7 -14.670 -16.155 37.068 1.00 13.34 H new ATOM 0 HA PHE A 7 -14.592 -18.506 35.275 1.00 50.22 H new ATOM 0 HB2 PHE A 7 -16.386 -18.452 37.105 1.00 50.24 H new ATOM 0 HB3 PHE A 7 -17.071 -17.071 36.271 1.00 50.24 H new ATOM 0 HD1 PHE A 7 -15.947 -20.572 35.584 1.00 13.11 H new ATOM 0 HD2 PHE A 7 -18.671 -17.441 34.619 1.00 40.51 H new ATOM 0 HE1 PHE A 7 -17.143 -22.086 34.064 1.00 14.44 H new ATOM 0 HE2 PHE A 7 -19.873 -18.954 33.102 1.00 31.12 H new ATOM 0 HZ PHE A 7 -19.114 -21.281 32.823 1.00 21.53 H new ATOM 115 N CYS A 8 -14.377 -16.833 33.434 1.00 31.32 N ATOM 116 CA CYS A 8 -14.392 -15.989 32.249 1.00 54.41 C ATOM 117 C CYS A 8 -15.761 -16.051 31.572 1.00 65.22 C ATOM 118 O CYS A 8 -16.399 -17.103 31.551 1.00 34.32 O ATOM 119 CB CYS A 8 -13.304 -16.446 31.275 1.00 24.25 C ATOM 120 SG CYS A 8 -12.972 -15.285 29.932 1.00 51.15 S ATOM 0 H CYS A 8 -13.672 -17.570 33.417 1.00 31.32 H new ATOM 0 HA CYS A 8 -14.197 -14.959 32.546 1.00 54.41 H new ATOM 0 HB2 CYS A 8 -12.382 -16.613 31.831 1.00 24.25 H new ATOM 0 HB3 CYS A 8 -13.596 -17.405 30.847 1.00 24.25 H new ATOM 0 HG CYS A 8 -13.588 -14.164 30.165 1.00 51.15 H new ATOM 126 N THR A 9 -16.207 -14.930 31.013 1.00 52.25 N ATOM 127 CA THR A 9 -17.496 -14.885 30.332 1.00 12.21 C ATOM 128 C THR A 9 -17.314 -15.042 28.825 1.00 43.22 C ATOM 129 O THR A 9 -18.238 -15.429 28.111 1.00 73.23 O ATOM 130 CB THR A 9 -18.236 -13.579 30.649 1.00 25.02 C ATOM 131 OG1 THR A 9 -19.571 -13.621 30.169 1.00 2.15 O ATOM 132 CG2 THR A 9 -17.579 -12.351 30.054 1.00 1.45 C ATOM 0 H THR A 9 -15.698 -14.046 31.018 1.00 52.25 H new ATOM 0 HA THR A 9 -18.099 -15.717 30.696 1.00 12.21 H new ATOM 0 HB THR A 9 -18.208 -13.498 31.736 1.00 25.02 H new ATOM 0 HG1 THR A 9 -20.023 -12.778 30.384 1.00 2.15 H new ATOM 0 HG21 THR A 9 -18.156 -11.465 30.319 1.00 1.45 H new ATOM 0 HG22 THR A 9 -16.566 -12.254 30.445 1.00 1.45 H new ATOM 0 HG23 THR A 9 -17.541 -12.448 28.969 1.00 1.45 H new ATOM 140 N PHE A 10 -16.106 -14.748 28.350 1.00 65.32 N ATOM 141 CA PHE A 10 -15.789 -14.866 26.934 1.00 62.40 C ATOM 142 C PHE A 10 -15.644 -16.336 26.558 1.00 73.04 C ATOM 143 O PHE A 10 -16.183 -16.790 25.548 1.00 1.33 O ATOM 144 CB PHE A 10 -14.496 -14.111 26.620 1.00 25.33 C ATOM 145 CG PHE A 10 -14.044 -14.249 25.193 1.00 64.10 C ATOM 146 CD1 PHE A 10 -14.755 -13.651 24.165 1.00 61.21 C ATOM 147 CD2 PHE A 10 -12.903 -14.972 24.882 1.00 62.10 C ATOM 148 CE1 PHE A 10 -14.339 -13.774 22.854 1.00 51.44 C ATOM 149 CE2 PHE A 10 -12.482 -15.097 23.573 1.00 3.30 C ATOM 150 CZ PHE A 10 -13.201 -14.498 22.558 1.00 24.22 C ATOM 0 H PHE A 10 -15.331 -14.426 28.929 1.00 65.32 H new ATOM 0 HA PHE A 10 -16.599 -14.429 26.350 1.00 62.40 H new ATOM 0 HB2 PHE A 10 -14.640 -13.054 26.845 1.00 25.33 H new ATOM 0 HB3 PHE A 10 -13.706 -14.473 27.278 1.00 25.33 H new ATOM 0 HD1 PHE A 10 -15.645 -13.082 24.392 1.00 61.21 H new ATOM 0 HD2 PHE A 10 -12.337 -15.443 25.672 1.00 62.10 H new ATOM 0 HE1 PHE A 10 -14.903 -13.305 22.061 1.00 51.44 H new ATOM 0 HE2 PHE A 10 -11.591 -15.663 23.343 1.00 3.30 H new ATOM 0 HZ PHE A 10 -12.874 -14.596 21.533 1.00 24.22 H new ATOM 160 N LEU A 11 -14.922 -17.080 27.393 1.00 73.11 N ATOM 161 CA LEU A 11 -14.715 -18.505 27.169 1.00 31.00 C ATOM 162 C LEU A 11 -15.836 -19.317 27.806 1.00 73.10 C ATOM 163 O LEU A 11 -16.015 -20.495 27.495 1.00 62.15 O ATOM 164 CB LEU A 11 -13.369 -18.952 27.748 1.00 1.01 C ATOM 165 CG LEU A 11 -12.205 -17.983 27.531 1.00 4.35 C ATOM 166 CD1 LEU A 11 -11.226 -18.065 28.694 1.00 41.20 C ATOM 167 CD2 LEU A 11 -11.503 -18.284 26.216 1.00 2.01 C ATOM 0 H LEU A 11 -14.470 -16.717 28.232 1.00 73.11 H new ATOM 0 HA LEU A 11 -14.716 -18.679 26.093 1.00 31.00 H new ATOM 0 HB2 LEU A 11 -13.490 -19.114 28.819 1.00 1.01 H new ATOM 0 HB3 LEU A 11 -13.105 -19.914 27.308 1.00 1.01 H new ATOM 0 HG LEU A 11 -12.599 -16.968 27.484 1.00 4.35 H new ATOM 0 HD11 LEU A 11 -10.403 -17.370 28.526 1.00 41.20 H new ATOM 0 HD12 LEU A 11 -11.738 -17.804 29.620 1.00 41.20 H new ATOM 0 HD13 LEU A 11 -10.835 -19.080 28.769 1.00 41.20 H new ATOM 0 HD21 LEU A 11 -10.677 -17.586 26.076 1.00 2.01 H new ATOM 0 HD22 LEU A 11 -11.117 -19.303 26.234 1.00 2.01 H new ATOM 0 HD23 LEU A 11 -12.210 -18.179 25.393 1.00 2.01 H new ATOM 179 N GLN A 12 -16.582 -18.687 28.710 1.00 23.53 N ATOM 180 CA GLN A 12 -17.674 -19.356 29.400 1.00 23.44 C ATOM 181 C GLN A 12 -17.141 -20.527 30.215 1.00 25.43 C ATOM 182 O GLN A 12 -17.754 -21.594 30.268 1.00 51.41 O ATOM 183 CB GLN A 12 -18.723 -19.845 28.398 1.00 53.11 C ATOM 184 CG GLN A 12 -19.742 -18.781 28.019 1.00 64.42 C ATOM 185 CD GLN A 12 -20.646 -18.399 29.176 1.00 42.33 C ATOM 186 OE1 GLN A 12 -21.065 -19.253 29.957 1.00 24.32 O ATOM 187 NE2 GLN A 12 -20.949 -17.111 29.291 1.00 71.40 N ATOM 0 H GLN A 12 -16.447 -17.713 28.980 1.00 23.53 H new ATOM 0 HA GLN A 12 -18.146 -18.642 30.075 1.00 23.44 H new ATOM 0 HB2 GLN A 12 -18.219 -20.192 27.496 1.00 53.11 H new ATOM 0 HB3 GLN A 12 -19.246 -20.703 28.821 1.00 53.11 H new ATOM 0 HG2 GLN A 12 -19.219 -17.893 27.663 1.00 64.42 H new ATOM 0 HG3 GLN A 12 -20.351 -19.145 27.192 1.00 64.42 H new ATOM 0 HE21 GLN A 12 -20.579 -16.438 28.620 1.00 71.40 H new ATOM 0 HE22 GLN A 12 -21.552 -16.795 30.050 1.00 71.40 H new ATOM 196 N ARG A 13 -15.995 -20.316 30.858 1.00 31.42 N ATOM 197 CA ARG A 13 -15.371 -21.349 31.681 1.00 30.23 C ATOM 198 C ARG A 13 -14.698 -20.725 32.899 1.00 63.10 C ATOM 199 O ARG A 13 -14.843 -19.530 33.156 1.00 64.23 O ATOM 200 CB ARG A 13 -14.336 -22.146 30.875 1.00 73.20 C ATOM 201 CG ARG A 13 -14.396 -21.915 29.373 1.00 72.11 C ATOM 202 CD ARG A 13 -13.137 -22.422 28.687 1.00 24.42 C ATOM 203 NE ARG A 13 -13.326 -22.596 27.250 1.00 51.31 N ATOM 204 CZ ARG A 13 -12.464 -23.239 26.464 1.00 21.21 C ATOM 205 NH1 ARG A 13 -11.360 -23.772 26.975 1.00 22.03 N ATOM 206 NH2 ARG A 13 -12.709 -23.350 25.166 1.00 63.21 N ATOM 0 H ARG A 13 -15.479 -19.437 30.825 1.00 31.42 H new ATOM 0 HA ARG A 13 -16.156 -22.030 32.011 1.00 30.23 H new ATOM 0 HB2 ARG A 13 -13.339 -21.887 31.231 1.00 73.20 H new ATOM 0 HB3 ARG A 13 -14.479 -23.208 31.073 1.00 73.20 H new ATOM 0 HG2 ARG A 13 -15.268 -22.422 28.959 1.00 72.11 H new ATOM 0 HG3 ARG A 13 -14.520 -20.851 29.171 1.00 72.11 H new ATOM 0 HD2 ARG A 13 -12.322 -21.720 28.862 1.00 24.42 H new ATOM 0 HD3 ARG A 13 -12.841 -23.372 29.131 1.00 24.42 H new ATOM 0 HE ARG A 13 -14.165 -22.203 26.824 1.00 51.31 H new ATOM 0 HH11 ARG A 13 -11.169 -23.690 27.974 1.00 22.03 H new ATOM 0 HH12 ARG A 13 -10.703 -24.263 26.369 1.00 22.03 H new ATOM 0 HH21 ARG A 13 -13.557 -22.943 24.770 1.00 63.21 H new ATOM 0 HH22 ARG A 13 -12.050 -23.842 24.563 1.00 63.21 H new ATOM 220 N GLU A 14 -13.954 -21.538 33.642 1.00 1.13 N ATOM 221 CA GLU A 14 -13.252 -21.061 34.829 1.00 34.13 C ATOM 222 C GLU A 14 -11.763 -20.891 34.541 1.00 14.15 C ATOM 223 O GLU A 14 -11.063 -21.860 34.249 1.00 14.24 O ATOM 224 CB GLU A 14 -13.454 -22.028 35.996 1.00 13.12 C ATOM 225 CG GLU A 14 -13.376 -21.359 37.360 1.00 33.02 C ATOM 226 CD GLU A 14 -13.988 -22.204 38.461 1.00 62.23 C ATOM 227 OE1 GLU A 14 -13.362 -23.211 38.853 1.00 65.42 O ATOM 228 OE2 GLU A 14 -15.091 -21.858 38.931 1.00 33.53 O ATOM 0 H GLU A 14 -13.821 -22.530 33.444 1.00 1.13 H new ATOM 0 HA GLU A 14 -13.667 -20.091 35.102 1.00 34.13 H new ATOM 0 HB2 GLU A 14 -14.425 -22.512 35.893 1.00 13.12 H new ATOM 0 HB3 GLU A 14 -12.700 -22.813 35.942 1.00 13.12 H new ATOM 0 HG2 GLU A 14 -12.333 -21.155 37.601 1.00 33.02 H new ATOM 0 HG3 GLU A 14 -13.887 -20.397 37.319 1.00 33.02 H new ATOM 235 N ALA A 15 -11.289 -19.651 34.621 1.00 12.03 N ATOM 236 CA ALA A 15 -9.885 -19.352 34.363 1.00 21.22 C ATOM 237 C ALA A 15 -9.354 -18.307 35.339 1.00 54.41 C ATOM 238 O ALA A 15 -10.123 -17.653 36.044 1.00 2.04 O ATOM 239 CB ALA A 15 -9.703 -18.874 32.928 1.00 50.14 C ATOM 0 H ALA A 15 -11.856 -18.838 34.862 1.00 12.03 H new ATOM 0 HA ALA A 15 -9.313 -20.269 34.508 1.00 21.22 H new ATOM 0 HB1 ALA A 15 -8.651 -18.654 32.748 1.00 50.14 H new ATOM 0 HB2 ALA A 15 -10.034 -19.653 32.240 1.00 50.14 H new ATOM 0 HB3 ALA A 15 -10.294 -17.973 32.767 1.00 50.14 H new ATOM 245 N GLU A 16 -8.034 -18.151 35.369 1.00 3.04 N ATOM 246 CA GLU A 16 -7.398 -17.182 36.254 1.00 72.43 C ATOM 247 C GLU A 16 -7.760 -15.758 35.845 1.00 31.24 C ATOM 248 O GLU A 16 -8.267 -15.528 34.747 1.00 54.24 O ATOM 249 CB GLU A 16 -5.878 -17.361 36.235 1.00 40.45 C ATOM 250 CG GLU A 16 -5.243 -17.054 34.886 1.00 2.55 C ATOM 251 CD GLU A 16 -4.937 -18.304 34.081 1.00 45.03 C ATOM 252 OE1 GLU A 16 -4.921 -19.403 34.674 1.00 45.02 O ATOM 253 OE2 GLU A 16 -4.715 -18.182 32.858 1.00 44.31 O ATOM 0 H GLU A 16 -7.384 -18.683 34.790 1.00 3.04 H new ATOM 0 HA GLU A 16 -7.763 -17.356 37.266 1.00 72.43 H new ATOM 0 HB2 GLU A 16 -5.435 -16.713 36.991 1.00 40.45 H new ATOM 0 HB3 GLU A 16 -5.638 -18.387 36.515 1.00 40.45 H new ATOM 0 HG2 GLU A 16 -5.912 -16.413 34.312 1.00 2.55 H new ATOM 0 HG3 GLU A 16 -4.321 -16.494 35.043 1.00 2.55 H new ATOM 260 N GLY A 17 -7.498 -14.807 36.734 1.00 52.13 N ATOM 261 CA GLY A 17 -7.804 -13.417 36.445 1.00 51.12 C ATOM 262 C GLY A 17 -6.596 -12.513 36.603 1.00 22.35 C ATOM 263 O GLY A 17 -5.469 -12.990 36.739 1.00 53.22 O ATOM 0 H GLY A 17 -7.079 -14.973 37.649 1.00 52.13 H new ATOM 0 HA2 GLY A 17 -8.184 -13.336 35.427 1.00 51.12 H new ATOM 0 HA3 GLY A 17 -8.598 -13.077 37.110 1.00 51.12 H new ATOM 267 N GLN A 18 -6.832 -11.205 36.584 1.00 21.14 N ATOM 268 CA GLN A 18 -5.754 -10.233 36.725 1.00 54.11 C ATOM 269 C GLN A 18 -5.700 -9.682 38.146 1.00 43.52 C ATOM 270 O GLN A 18 -6.530 -10.026 38.988 1.00 15.54 O ATOM 271 CB GLN A 18 -5.937 -9.090 35.725 1.00 11.52 C ATOM 272 CG GLN A 18 -6.128 -9.562 34.292 1.00 53.05 C ATOM 273 CD GLN A 18 -7.554 -9.392 33.807 1.00 62.42 C ATOM 274 OE1 GLN A 18 -7.906 -8.365 33.226 1.00 1.12 O ATOM 275 NE2 GLN A 18 -8.384 -10.401 34.041 1.00 14.32 N ATOM 0 H GLN A 18 -7.759 -10.794 36.472 1.00 21.14 H new ATOM 0 HA GLN A 18 -4.811 -10.739 36.517 1.00 54.11 H new ATOM 0 HB2 GLN A 18 -6.800 -8.494 36.021 1.00 11.52 H new ATOM 0 HB3 GLN A 18 -5.067 -8.435 35.770 1.00 11.52 H new ATOM 0 HG2 GLN A 18 -5.457 -9.006 33.638 1.00 53.05 H new ATOM 0 HG3 GLN A 18 -5.846 -10.612 34.219 1.00 53.05 H new ATOM 0 HE21 GLN A 18 -8.050 -11.234 34.526 1.00 14.32 H new ATOM 0 HE22 GLN A 18 -9.356 -10.343 33.736 1.00 14.32 H new ATOM 284 N ASP A 19 -4.714 -8.831 38.410 1.00 30.30 N ATOM 285 CA ASP A 19 -4.548 -8.240 39.733 1.00 31.15 C ATOM 286 C ASP A 19 -4.768 -6.729 39.698 1.00 54.34 C ATOM 287 O ASP A 19 -5.155 -6.128 40.701 1.00 62.12 O ATOM 288 CB ASP A 19 -3.153 -8.555 40.280 1.00 61.25 C ATOM 289 CG ASP A 19 -3.201 -9.454 41.500 1.00 4.21 C ATOM 290 OD1 ASP A 19 -3.921 -10.474 41.459 1.00 63.02 O ATOM 291 OD2 ASP A 19 -2.518 -9.137 42.497 1.00 32.45 O ATOM 0 H ASP A 19 -4.018 -8.535 37.726 1.00 30.30 H new ATOM 0 HA ASP A 19 -5.299 -8.675 40.392 1.00 31.15 H new ATOM 0 HB2 ASP A 19 -2.560 -9.035 39.501 1.00 61.25 H new ATOM 0 HB3 ASP A 19 -2.648 -7.624 40.537 1.00 61.25 H new ATOM 296 N PHE A 20 -4.520 -6.117 38.544 1.00 75.50 N ATOM 297 CA PHE A 20 -4.692 -4.675 38.393 1.00 61.11 C ATOM 298 C PHE A 20 -5.654 -4.352 37.255 1.00 11.10 C ATOM 299 O PHE A 20 -5.515 -4.870 36.144 1.00 10.14 O ATOM 300 CB PHE A 20 -3.341 -3.999 38.142 1.00 42.10 C ATOM 301 CG PHE A 20 -2.474 -4.728 37.156 1.00 20.33 C ATOM 302 CD1 PHE A 20 -1.598 -5.715 37.580 1.00 53.11 C ATOM 303 CD2 PHE A 20 -2.532 -4.425 35.806 1.00 62.20 C ATOM 304 CE1 PHE A 20 -0.796 -6.385 36.674 1.00 13.12 C ATOM 305 CE2 PHE A 20 -1.734 -5.091 34.895 1.00 64.11 C ATOM 306 CZ PHE A 20 -0.865 -6.073 35.330 1.00 51.01 C ATOM 0 H PHE A 20 -4.200 -6.595 37.702 1.00 75.50 H new ATOM 0 HA PHE A 20 -5.116 -4.291 39.321 1.00 61.11 H new ATOM 0 HB2 PHE A 20 -3.514 -2.985 37.780 1.00 42.10 H new ATOM 0 HB3 PHE A 20 -2.807 -3.913 39.088 1.00 42.10 H new ATOM 0 HD1 PHE A 20 -1.541 -5.964 38.629 1.00 53.11 H new ATOM 0 HD2 PHE A 20 -3.210 -3.658 35.460 1.00 62.20 H new ATOM 0 HE1 PHE A 20 -0.117 -7.151 37.017 1.00 13.12 H new ATOM 0 HE2 PHE A 20 -1.790 -4.844 33.845 1.00 64.11 H new ATOM 0 HZ PHE A 20 -0.241 -6.596 34.621 1.00 51.01 H new ATOM 316 N GLN A 21 -6.623 -3.487 37.534 1.00 15.34 N ATOM 317 CA GLN A 21 -7.602 -3.088 36.531 1.00 22.42 C ATOM 318 C GLN A 21 -6.911 -2.406 35.353 1.00 75.54 C ATOM 319 O GLN A 21 -6.259 -1.374 35.515 1.00 3.30 O ATOM 320 CB GLN A 21 -8.644 -2.156 37.152 1.00 41.11 C ATOM 321 CG GLN A 21 -9.795 -1.828 36.220 1.00 63.45 C ATOM 322 CD GLN A 21 -10.867 -0.988 36.890 1.00 14.32 C ATOM 323 OE1 GLN A 21 -11.181 -1.183 38.063 1.00 21.41 O ATOM 324 NE2 GLN A 21 -11.438 -0.048 36.143 1.00 51.02 N ATOM 0 H GLN A 21 -6.751 -3.049 38.446 1.00 15.34 H new ATOM 0 HA GLN A 21 -8.108 -3.981 36.163 1.00 22.42 H new ATOM 0 HB2 GLN A 21 -9.040 -2.618 38.057 1.00 41.11 H new ATOM 0 HB3 GLN A 21 -8.156 -1.229 37.454 1.00 41.11 H new ATOM 0 HG2 GLN A 21 -9.412 -1.295 35.349 1.00 63.45 H new ATOM 0 HG3 GLN A 21 -10.239 -2.755 35.857 1.00 63.45 H new ATOM 0 HE21 GLN A 21 -11.147 0.080 35.174 1.00 51.02 H new ATOM 0 HE22 GLN A 21 -12.167 0.545 36.539 1.00 51.02 H new ATOM 333 N LEU A 22 -7.045 -2.999 34.172 1.00 10.45 N ATOM 334 CA LEU A 22 -6.418 -2.464 32.967 1.00 4.02 C ATOM 335 C LEU A 22 -7.232 -1.319 32.365 1.00 35.51 C ATOM 336 O LEU A 22 -6.677 -0.293 31.975 1.00 71.53 O ATOM 337 CB LEU A 22 -6.235 -3.578 31.934 1.00 12.14 C ATOM 338 CG LEU A 22 -5.779 -4.924 32.507 1.00 25.31 C ATOM 339 CD1 LEU A 22 -5.836 -6.007 31.440 1.00 12.30 C ATOM 340 CD2 LEU A 22 -4.375 -4.813 33.085 1.00 4.03 C ATOM 0 H LEU A 22 -7.583 -3.852 34.022 1.00 10.45 H new ATOM 0 HA LEU A 22 -5.444 -2.065 33.249 1.00 4.02 H new ATOM 0 HB2 LEU A 22 -7.179 -3.725 31.409 1.00 12.14 H new ATOM 0 HB3 LEU A 22 -5.506 -3.250 31.193 1.00 12.14 H new ATOM 0 HG LEU A 22 -6.459 -5.201 33.313 1.00 25.31 H new ATOM 0 HD11 LEU A 22 -5.508 -6.955 31.866 1.00 12.30 H new ATOM 0 HD12 LEU A 22 -6.859 -6.106 31.077 1.00 12.30 H new ATOM 0 HD13 LEU A 22 -5.182 -5.736 30.611 1.00 12.30 H new ATOM 0 HD21 LEU A 22 -4.070 -5.779 33.487 1.00 4.03 H new ATOM 0 HD22 LEU A 22 -3.681 -4.511 32.300 1.00 4.03 H new ATOM 0 HD23 LEU A 22 -4.367 -4.070 33.882 1.00 4.03 H new ATOM 352 N TYR A 23 -8.547 -1.497 32.295 1.00 34.05 N ATOM 353 CA TYR A 23 -9.427 -0.470 31.743 1.00 23.50 C ATOM 354 C TYR A 23 -9.902 0.476 32.845 1.00 25.40 C ATOM 355 O TYR A 23 -9.690 0.220 34.027 1.00 43.13 O ATOM 356 CB TYR A 23 -10.626 -1.112 31.045 1.00 63.45 C ATOM 357 CG TYR A 23 -10.736 -0.777 29.577 1.00 52.33 C ATOM 358 CD1 TYR A 23 -9.609 -0.709 28.770 1.00 65.42 C ATOM 359 CD2 TYR A 23 -11.975 -0.531 28.999 1.00 4.51 C ATOM 360 CE1 TYR A 23 -9.710 -0.405 27.426 1.00 33.35 C ATOM 361 CE2 TYR A 23 -12.087 -0.227 27.655 1.00 71.50 C ATOM 362 CZ TYR A 23 -10.953 -0.164 26.873 1.00 12.35 C ATOM 363 OH TYR A 23 -11.062 0.137 25.534 1.00 2.05 O ATOM 0 H TYR A 23 -9.027 -2.339 32.612 1.00 34.05 H new ATOM 0 HA TYR A 23 -8.864 0.106 31.009 1.00 23.50 H new ATOM 0 HB2 TYR A 23 -10.561 -2.194 31.156 1.00 63.45 H new ATOM 0 HB3 TYR A 23 -11.539 -0.794 31.549 1.00 63.45 H new ATOM 0 HD1 TYR A 23 -8.636 -0.897 29.200 1.00 65.42 H new ATOM 0 HD2 TYR A 23 -12.865 -0.578 29.609 1.00 4.51 H new ATOM 0 HE1 TYR A 23 -8.823 -0.356 26.812 1.00 33.35 H new ATOM 0 HE2 TYR A 23 -13.058 -0.040 27.220 1.00 71.50 H new ATOM 0 HH TYR A 23 -10.337 -0.300 25.040 1.00 2.05 H new ATOM 373 N PRO A 24 -10.539 1.594 32.472 1.00 32.24 N ATOM 374 CA PRO A 24 -11.030 2.587 33.425 1.00 11.05 C ATOM 375 C PRO A 24 -12.476 2.349 33.843 1.00 1.33 C ATOM 376 O PRO A 24 -13.088 1.343 33.481 1.00 21.12 O ATOM 377 CB PRO A 24 -10.938 3.857 32.600 1.00 65.33 C ATOM 378 CG PRO A 24 -11.370 3.407 31.246 1.00 43.20 C ATOM 379 CD PRO A 24 -10.823 2.007 31.083 1.00 63.42 C ATOM 0 HA PRO A 24 -10.470 2.586 34.360 1.00 11.05 H new ATOM 0 HB2 PRO A 24 -11.587 4.641 32.991 1.00 65.33 H new ATOM 0 HB3 PRO A 24 -9.925 4.258 32.588 1.00 65.33 H new ATOM 0 HG2 PRO A 24 -12.457 3.415 31.160 1.00 43.20 H new ATOM 0 HG3 PRO A 24 -10.984 4.070 30.472 1.00 43.20 H new ATOM 0 HD2 PRO A 24 -11.545 1.345 30.605 1.00 63.42 H new ATOM 0 HD3 PRO A 24 -9.924 1.995 30.467 1.00 63.42 H new ATOM 387 N GLY A 25 -13.016 3.308 34.591 1.00 62.31 N ATOM 388 CA GLY A 25 -14.395 3.244 35.047 1.00 55.53 C ATOM 389 C GLY A 25 -14.870 1.854 35.420 1.00 61.45 C ATOM 390 O GLY A 25 -14.125 1.058 35.991 1.00 31.03 O ATOM 0 H GLY A 25 -12.513 4.142 34.894 1.00 62.31 H new ATOM 0 HA2 GLY A 25 -14.509 3.897 35.912 1.00 55.53 H new ATOM 0 HA3 GLY A 25 -15.042 3.637 34.263 1.00 55.53 H new ATOM 394 N GLU A 26 -16.129 1.578 35.099 1.00 34.32 N ATOM 395 CA GLU A 26 -16.745 0.291 35.401 1.00 25.33 C ATOM 396 C GLU A 26 -16.371 -0.757 34.363 1.00 14.12 C ATOM 397 O GLU A 26 -16.179 -1.928 34.691 1.00 61.02 O ATOM 398 CB GLU A 26 -18.267 0.431 35.463 1.00 60.13 C ATOM 399 CG GLU A 26 -18.746 1.476 36.458 1.00 32.34 C ATOM 400 CD GLU A 26 -19.252 2.736 35.783 1.00 53.51 C ATOM 401 OE1 GLU A 26 -18.627 3.172 34.793 1.00 44.40 O ATOM 402 OE2 GLU A 26 -20.273 3.289 36.244 1.00 61.30 O ATOM 0 H GLU A 26 -16.748 2.235 34.625 1.00 34.32 H new ATOM 0 HA GLU A 26 -16.371 -0.035 36.372 1.00 25.33 H new ATOM 0 HB2 GLU A 26 -18.640 0.689 34.472 1.00 60.13 H new ATOM 0 HB3 GLU A 26 -18.701 -0.534 35.726 1.00 60.13 H new ATOM 0 HG2 GLU A 26 -19.542 1.052 37.070 1.00 32.34 H new ATOM 0 HG3 GLU A 26 -17.928 1.733 37.132 1.00 32.34 H new ATOM 409 N LEU A 27 -16.266 -0.333 33.108 1.00 43.20 N ATOM 410 CA LEU A 27 -15.914 -1.247 32.028 1.00 70.03 C ATOM 411 C LEU A 27 -14.680 -2.060 32.401 1.00 3.24 C ATOM 412 O LEU A 27 -14.690 -3.288 32.341 1.00 43.43 O ATOM 413 CB LEU A 27 -15.670 -0.476 30.727 1.00 42.54 C ATOM 414 CG LEU A 27 -16.313 -1.093 29.483 1.00 51.12 C ATOM 415 CD1 LEU A 27 -16.030 -2.586 29.420 1.00 14.22 C ATOM 416 CD2 LEU A 27 -17.812 -0.834 29.472 1.00 51.13 C ATOM 0 H LEU A 27 -16.419 0.632 32.815 1.00 43.20 H new ATOM 0 HA LEU A 27 -16.748 -1.931 31.872 1.00 70.03 H new ATOM 0 HB2 LEU A 27 -16.047 0.540 30.847 1.00 42.54 H new ATOM 0 HB3 LEU A 27 -14.595 -0.400 30.563 1.00 42.54 H new ATOM 0 HG LEU A 27 -15.876 -0.623 28.602 1.00 51.12 H new ATOM 0 HD11 LEU A 27 -16.495 -3.007 28.529 1.00 14.22 H new ATOM 0 HD12 LEU A 27 -14.953 -2.751 29.380 1.00 14.22 H new ATOM 0 HD13 LEU A 27 -16.438 -3.071 30.306 1.00 14.22 H new ATOM 0 HD21 LEU A 27 -18.252 -1.280 28.580 1.00 51.13 H new ATOM 0 HD22 LEU A 27 -18.264 -1.276 30.360 1.00 51.13 H new ATOM 0 HD23 LEU A 27 -17.996 0.240 29.468 1.00 51.13 H new ATOM 428 N GLY A 28 -13.621 -1.370 32.801 1.00 3.43 N ATOM 429 CA GLY A 28 -12.405 -2.052 33.196 1.00 70.33 C ATOM 430 C GLY A 28 -12.636 -3.004 34.346 1.00 53.45 C ATOM 431 O GLY A 28 -12.009 -4.060 34.422 1.00 64.53 O ATOM 0 H GLY A 28 -13.582 -0.352 32.859 1.00 3.43 H new ATOM 0 HA2 GLY A 28 -12.006 -2.603 32.344 1.00 70.33 H new ATOM 0 HA3 GLY A 28 -11.653 -1.316 33.481 1.00 70.33 H new ATOM 435 N LYS A 29 -13.544 -2.635 35.244 1.00 41.30 N ATOM 436 CA LYS A 29 -13.855 -3.475 36.391 1.00 11.31 C ATOM 437 C LYS A 29 -14.422 -4.821 35.940 1.00 74.12 C ATOM 438 O LYS A 29 -13.908 -5.875 36.315 1.00 50.10 O ATOM 439 CB LYS A 29 -14.842 -2.766 37.322 1.00 13.40 C ATOM 440 CG LYS A 29 -14.191 -2.218 38.584 1.00 74.43 C ATOM 441 CD LYS A 29 -14.467 -0.733 38.760 1.00 54.40 C ATOM 442 CE LYS A 29 -14.431 -0.330 40.225 1.00 33.14 C ATOM 443 NZ LYS A 29 -13.035 -0.166 40.721 1.00 73.52 N ATOM 0 H LYS A 29 -14.074 -1.765 35.199 1.00 41.30 H new ATOM 0 HA LYS A 29 -12.931 -3.659 36.939 1.00 11.31 H new ATOM 0 HB2 LYS A 29 -15.317 -1.947 36.781 1.00 13.40 H new ATOM 0 HB3 LYS A 29 -15.632 -3.463 37.602 1.00 13.40 H new ATOM 0 HG2 LYS A 29 -14.564 -2.763 39.452 1.00 74.43 H new ATOM 0 HG3 LYS A 29 -13.115 -2.385 38.540 1.00 74.43 H new ATOM 0 HD2 LYS A 29 -13.728 -0.156 38.205 1.00 54.40 H new ATOM 0 HD3 LYS A 29 -15.443 -0.491 38.339 1.00 54.40 H new ATOM 0 HE2 LYS A 29 -14.976 0.605 40.358 1.00 33.14 H new ATOM 0 HE3 LYS A 29 -14.942 -1.085 40.822 1.00 33.14 H new ATOM 0 HZ1 LYS A 29 -12.886 -0.779 41.548 1.00 73.52 H new ATOM 0 HZ2 LYS A 29 -12.366 -0.430 39.969 1.00 73.52 H new ATOM 0 HZ3 LYS A 29 -12.877 0.826 40.992 1.00 73.52 H new ATOM 457 N ARG A 30 -15.483 -4.781 35.137 1.00 14.42 N ATOM 458 CA ARG A 30 -16.116 -6.004 34.643 1.00 74.43 C ATOM 459 C ARG A 30 -15.126 -6.861 33.856 1.00 51.04 C ATOM 460 O ARG A 30 -15.131 -8.081 33.974 1.00 65.32 O ATOM 461 CB ARG A 30 -17.326 -5.671 33.770 1.00 42.34 C ATOM 462 CG ARG A 30 -16.995 -4.739 32.623 1.00 12.00 C ATOM 463 CD ARG A 30 -18.243 -4.268 31.884 1.00 64.35 C ATOM 464 NE ARG A 30 -19.304 -5.278 31.869 1.00 14.55 N ATOM 465 CZ ARG A 30 -19.959 -5.660 30.772 1.00 44.23 C ATOM 466 NH1 ARG A 30 -19.660 -5.140 29.586 1.00 71.24 N ATOM 467 NH2 ARG A 30 -20.921 -6.569 30.863 1.00 70.40 N ATOM 0 H ARG A 30 -15.922 -3.919 34.815 1.00 14.42 H new ATOM 0 HA ARG A 30 -16.451 -6.574 35.509 1.00 74.43 H new ATOM 0 HB2 ARG A 30 -17.743 -6.595 33.370 1.00 42.34 H new ATOM 0 HB3 ARG A 30 -18.098 -5.215 34.389 1.00 42.34 H new ATOM 0 HG2 ARG A 30 -16.453 -3.874 33.005 1.00 12.00 H new ATOM 0 HG3 ARG A 30 -16.331 -5.248 31.924 1.00 12.00 H new ATOM 0 HD2 ARG A 30 -18.618 -3.359 32.355 1.00 64.35 H new ATOM 0 HD3 ARG A 30 -17.978 -4.010 30.859 1.00 64.35 H new ATOM 0 HE ARG A 30 -19.558 -5.717 32.754 1.00 14.55 H new ATOM 0 HH11 ARG A 30 -18.922 -4.440 29.507 1.00 71.24 H new ATOM 0 HH12 ARG A 30 -20.168 -5.441 28.754 1.00 71.24 H new ATOM 0 HH21 ARG A 30 -21.157 -6.973 31.769 1.00 70.40 H new ATOM 0 HH22 ARG A 30 -21.425 -6.864 30.027 1.00 70.40 H new ATOM 481 N ILE A 31 -14.271 -6.223 33.060 1.00 42.52 N ATOM 482 CA ILE A 31 -13.276 -6.955 32.274 1.00 44.44 C ATOM 483 C ILE A 31 -12.307 -7.662 33.198 1.00 73.55 C ATOM 484 O ILE A 31 -12.206 -8.888 33.206 1.00 62.43 O ATOM 485 CB ILE A 31 -12.476 -6.024 31.346 1.00 54.41 C ATOM 486 CG1 ILE A 31 -13.415 -5.183 30.490 1.00 20.53 C ATOM 487 CG2 ILE A 31 -11.530 -6.826 30.464 1.00 14.54 C ATOM 488 CD1 ILE A 31 -12.835 -3.838 30.138 1.00 24.11 C ATOM 0 H ILE A 31 -14.245 -5.210 32.941 1.00 42.52 H new ATOM 0 HA ILE A 31 -13.818 -7.675 31.660 1.00 44.44 H new ATOM 0 HB ILE A 31 -11.882 -5.354 31.968 1.00 54.41 H new ATOM 0 HG12 ILE A 31 -13.647 -5.725 29.573 1.00 20.53 H new ATOM 0 HG13 ILE A 31 -14.355 -5.040 31.023 1.00 20.53 H new ATOM 0 HG21 ILE A 31 -10.974 -6.148 29.816 1.00 14.54 H new ATOM 0 HG22 ILE A 31 -10.833 -7.383 31.090 1.00 14.54 H new ATOM 0 HG23 ILE A 31 -12.105 -7.522 29.853 1.00 14.54 H new ATOM 0 HD11 ILE A 31 -13.547 -3.283 29.528 1.00 24.11 H new ATOM 0 HD12 ILE A 31 -12.628 -3.281 31.052 1.00 24.11 H new ATOM 0 HD13 ILE A 31 -11.909 -3.976 29.580 1.00 24.11 H new ATOM 500 N TYR A 32 -11.608 -6.866 33.988 1.00 64.50 N ATOM 501 CA TYR A 32 -10.652 -7.382 34.946 1.00 23.32 C ATOM 502 C TYR A 32 -11.331 -8.389 35.880 1.00 71.21 C ATOM 503 O TYR A 32 -10.659 -9.170 36.554 1.00 4.24 O ATOM 504 CB TYR A 32 -10.031 -6.212 35.728 1.00 61.31 C ATOM 505 CG TYR A 32 -9.770 -6.477 37.196 1.00 14.12 C ATOM 506 CD1 TYR A 32 -10.817 -6.562 38.106 1.00 20.14 C ATOM 507 CD2 TYR A 32 -8.476 -6.634 37.670 1.00 54.11 C ATOM 508 CE1 TYR A 32 -10.580 -6.796 39.447 1.00 50.43 C ATOM 509 CE2 TYR A 32 -8.228 -6.869 39.008 1.00 31.22 C ATOM 510 CZ TYR A 32 -9.283 -6.949 39.893 1.00 75.01 C ATOM 511 OH TYR A 32 -9.040 -7.177 41.228 1.00 23.44 O ATOM 0 H TYR A 32 -11.688 -5.849 33.982 1.00 64.50 H new ATOM 0 HA TYR A 32 -9.852 -7.907 34.424 1.00 23.32 H new ATOM 0 HB2 TYR A 32 -9.089 -5.939 35.253 1.00 61.31 H new ATOM 0 HB3 TYR A 32 -10.692 -5.350 35.644 1.00 61.31 H new ATOM 0 HD1 TYR A 32 -11.833 -6.443 37.759 1.00 20.14 H new ATOM 0 HD2 TYR A 32 -7.647 -6.571 36.980 1.00 54.11 H new ATOM 0 HE1 TYR A 32 -11.405 -6.859 40.142 1.00 50.43 H new ATOM 0 HE2 TYR A 32 -7.214 -6.989 39.359 1.00 31.22 H new ATOM 0 HH TYR A 32 -8.075 -7.262 41.375 1.00 23.44 H new ATOM 521 N ASN A 33 -12.666 -8.350 35.935 1.00 73.34 N ATOM 522 CA ASN A 33 -13.410 -9.255 36.814 1.00 54.32 C ATOM 523 C ASN A 33 -13.963 -10.488 36.087 1.00 71.34 C ATOM 524 O ASN A 33 -13.753 -11.617 36.528 1.00 44.01 O ATOM 525 CB ASN A 33 -14.561 -8.504 37.487 1.00 0.31 C ATOM 526 CG ASN A 33 -14.146 -7.865 38.797 1.00 15.51 C ATOM 527 OD1 ASN A 33 -13.423 -8.465 39.593 1.00 33.41 O ATOM 528 ND2 ASN A 33 -14.605 -6.641 39.030 1.00 61.25 N ATOM 0 H ASN A 33 -13.246 -7.712 35.390 1.00 73.34 H new ATOM 0 HA ASN A 33 -12.700 -9.613 37.559 1.00 54.32 H new ATOM 0 HB2 ASN A 33 -14.933 -7.733 36.812 1.00 0.31 H new ATOM 0 HB3 ASN A 33 -15.385 -9.194 37.667 1.00 0.31 H new ATOM 0 HD21 ASN A 33 -14.361 -6.161 39.896 1.00 61.25 H new ATOM 0 HD22 ASN A 33 -15.202 -6.181 38.343 1.00 61.25 H new ATOM 535 N GLU A 34 -14.703 -10.268 35.003 1.00 11.44 N ATOM 536 CA GLU A 34 -15.321 -11.368 34.259 1.00 12.01 C ATOM 537 C GLU A 34 -14.472 -11.846 33.083 1.00 33.04 C ATOM 538 O GLU A 34 -14.680 -12.944 32.573 1.00 14.34 O ATOM 539 CB GLU A 34 -16.704 -10.949 33.758 1.00 14.34 C ATOM 540 CG GLU A 34 -17.705 -10.700 34.875 1.00 71.44 C ATOM 541 CD GLU A 34 -18.946 -11.562 34.747 1.00 43.43 C ATOM 542 OE1 GLU A 34 -18.907 -12.730 35.190 1.00 51.51 O ATOM 543 OE2 GLU A 34 -19.957 -11.069 34.206 1.00 60.04 O ATOM 0 H GLU A 34 -14.890 -9.342 34.619 1.00 11.44 H new ATOM 0 HA GLU A 34 -15.408 -12.205 34.952 1.00 12.01 H new ATOM 0 HB2 GLU A 34 -16.606 -10.043 33.160 1.00 14.34 H new ATOM 0 HB3 GLU A 34 -17.093 -11.725 33.099 1.00 14.34 H new ATOM 0 HG2 GLU A 34 -17.228 -10.896 35.836 1.00 71.44 H new ATOM 0 HG3 GLU A 34 -17.995 -9.649 34.871 1.00 71.44 H new ATOM 550 N ILE A 35 -13.519 -11.030 32.653 1.00 41.23 N ATOM 551 CA ILE A 35 -12.651 -11.398 31.541 1.00 15.01 C ATOM 552 C ILE A 35 -11.267 -11.799 32.045 1.00 22.10 C ATOM 553 O ILE A 35 -10.615 -11.046 32.766 1.00 72.42 O ATOM 554 CB ILE A 35 -12.519 -10.247 30.518 1.00 65.24 C ATOM 555 CG1 ILE A 35 -13.896 -9.856 29.965 1.00 43.31 C ATOM 556 CG2 ILE A 35 -11.583 -10.644 29.380 1.00 51.33 C ATOM 557 CD1 ILE A 35 -14.749 -11.040 29.564 1.00 44.35 C ATOM 0 H ILE A 35 -13.327 -10.112 33.055 1.00 41.23 H new ATOM 0 HA ILE A 35 -13.111 -12.250 31.041 1.00 15.01 H new ATOM 0 HB ILE A 35 -12.094 -9.383 31.029 1.00 65.24 H new ATOM 0 HG12 ILE A 35 -14.428 -9.274 30.718 1.00 43.31 H new ATOM 0 HG13 ILE A 35 -13.759 -9.208 29.099 1.00 43.31 H new ATOM 0 HG21 ILE A 35 -11.503 -9.820 28.670 1.00 51.33 H new ATOM 0 HG22 ILE A 35 -10.596 -10.872 29.783 1.00 51.33 H new ATOM 0 HG23 ILE A 35 -11.980 -11.523 28.872 1.00 51.33 H new ATOM 0 HD11 ILE A 35 -15.707 -10.686 29.183 1.00 44.35 H new ATOM 0 HD12 ILE A 35 -14.238 -11.610 28.788 1.00 44.35 H new ATOM 0 HD13 ILE A 35 -14.917 -11.678 30.432 1.00 44.35 H new ATOM 569 N SER A 36 -10.830 -12.994 31.659 1.00 32.24 N ATOM 570 CA SER A 36 -9.528 -13.507 32.069 1.00 70.31 C ATOM 571 C SER A 36 -8.417 -12.954 31.182 1.00 1.11 C ATOM 572 O SER A 36 -8.674 -12.190 30.252 1.00 2.44 O ATOM 573 CB SER A 36 -9.523 -15.035 32.016 1.00 53.15 C ATOM 574 OG SER A 36 -9.955 -15.502 30.749 1.00 41.34 O ATOM 0 H SER A 36 -11.361 -13.627 31.061 1.00 32.24 H new ATOM 0 HA SER A 36 -9.344 -13.182 33.093 1.00 70.31 H new ATOM 0 HB2 SER A 36 -8.519 -15.406 32.221 1.00 53.15 H new ATOM 0 HB3 SER A 36 -10.174 -15.431 32.795 1.00 53.15 H new ATOM 0 HG SER A 36 -10.933 -15.463 30.702 1.00 41.34 H new ATOM 580 N LYS A 37 -7.181 -13.349 31.476 1.00 42.00 N ATOM 581 CA LYS A 37 -6.031 -12.895 30.703 1.00 52.25 C ATOM 582 C LYS A 37 -6.061 -13.474 29.293 1.00 52.31 C ATOM 583 O LYS A 37 -5.588 -12.849 28.344 1.00 14.05 O ATOM 584 CB LYS A 37 -4.730 -13.296 31.405 1.00 71.22 C ATOM 585 CG LYS A 37 -4.488 -12.552 32.707 1.00 2.54 C ATOM 586 CD LYS A 37 -3.040 -12.107 32.839 1.00 32.52 C ATOM 587 CE LYS A 37 -2.817 -11.301 34.106 1.00 55.32 C ATOM 588 NZ LYS A 37 -1.730 -10.298 33.942 1.00 43.10 N ATOM 0 H LYS A 37 -6.951 -13.981 32.243 1.00 42.00 H new ATOM 0 HA LYS A 37 -6.078 -11.808 30.631 1.00 52.25 H new ATOM 0 HB2 LYS A 37 -4.751 -14.367 31.607 1.00 71.22 H new ATOM 0 HB3 LYS A 37 -3.892 -13.115 30.731 1.00 71.22 H new ATOM 0 HG2 LYS A 37 -5.142 -11.682 32.756 1.00 2.54 H new ATOM 0 HG3 LYS A 37 -4.749 -13.195 33.548 1.00 2.54 H new ATOM 0 HD2 LYS A 37 -2.389 -12.981 32.844 1.00 32.52 H new ATOM 0 HD3 LYS A 37 -2.762 -11.508 31.972 1.00 32.52 H new ATOM 0 HE2 LYS A 37 -3.741 -10.793 34.380 1.00 55.32 H new ATOM 0 HE3 LYS A 37 -2.568 -11.975 34.926 1.00 55.32 H new ATOM 0 HZ1 LYS A 37 -1.609 -9.769 34.829 1.00 43.10 H new ATOM 0 HZ2 LYS A 37 -0.842 -10.784 33.705 1.00 43.10 H new ATOM 0 HZ3 LYS A 37 -1.978 -9.639 33.177 1.00 43.10 H new ATOM 602 N GLU A 38 -6.622 -14.672 29.162 1.00 41.40 N ATOM 603 CA GLU A 38 -6.714 -15.337 27.866 1.00 54.20 C ATOM 604 C GLU A 38 -7.699 -14.616 26.951 1.00 31.43 C ATOM 605 O GLU A 38 -7.449 -14.454 25.756 1.00 60.21 O ATOM 606 CB GLU A 38 -7.141 -16.795 28.047 1.00 41.40 C ATOM 607 CG GLU A 38 -7.000 -17.631 26.785 1.00 62.41 C ATOM 608 CD GLU A 38 -5.651 -18.316 26.689 1.00 30.14 C ATOM 609 OE1 GLU A 38 -4.681 -17.801 27.285 1.00 54.15 O ATOM 610 OE2 GLU A 38 -5.565 -19.366 26.018 1.00 72.33 O ATOM 0 H GLU A 38 -7.020 -15.202 29.937 1.00 41.40 H new ATOM 0 HA GLU A 38 -5.728 -15.309 27.401 1.00 54.20 H new ATOM 0 HB2 GLU A 38 -6.543 -17.245 28.839 1.00 41.40 H new ATOM 0 HB3 GLU A 38 -8.179 -16.823 28.377 1.00 41.40 H new ATOM 0 HG2 GLU A 38 -7.788 -18.383 26.762 1.00 62.41 H new ATOM 0 HG3 GLU A 38 -7.143 -16.993 25.913 1.00 62.41 H new ATOM 617 N ALA A 39 -8.820 -14.186 27.520 1.00 51.41 N ATOM 618 CA ALA A 39 -9.843 -13.484 26.755 1.00 63.44 C ATOM 619 C ALA A 39 -9.408 -12.058 26.431 1.00 13.12 C ATOM 620 O ALA A 39 -9.673 -11.550 25.342 1.00 44.04 O ATOM 621 CB ALA A 39 -11.161 -13.476 27.515 1.00 12.31 C ATOM 0 H ALA A 39 -9.043 -14.311 28.507 1.00 51.41 H new ATOM 0 HA ALA A 39 -9.983 -14.015 25.814 1.00 63.44 H new ATOM 0 HB1 ALA A 39 -11.915 -12.948 26.931 1.00 12.31 H new ATOM 0 HB2 ALA A 39 -11.488 -14.501 27.687 1.00 12.31 H new ATOM 0 HB3 ALA A 39 -11.026 -12.973 28.472 1.00 12.31 H new ATOM 627 N TRP A 40 -8.740 -11.416 27.385 1.00 21.45 N ATOM 628 CA TRP A 40 -8.270 -10.049 27.196 1.00 64.40 C ATOM 629 C TRP A 40 -7.250 -9.977 26.067 1.00 11.24 C ATOM 630 O TRP A 40 -7.245 -9.030 25.281 1.00 3.30 O ATOM 631 CB TRP A 40 -7.650 -9.511 28.486 1.00 22.34 C ATOM 632 CG TRP A 40 -7.308 -8.055 28.411 1.00 24.04 C ATOM 633 CD1 TRP A 40 -6.068 -7.495 28.520 1.00 14.34 C ATOM 634 CD2 TRP A 40 -8.222 -6.970 28.207 1.00 71.33 C ATOM 635 NE1 TRP A 40 -6.155 -6.129 28.399 1.00 2.03 N ATOM 636 CE2 TRP A 40 -7.467 -5.782 28.207 1.00 22.04 C ATOM 637 CE3 TRP A 40 -9.605 -6.890 28.026 1.00 10.53 C ATOM 638 CZ2 TRP A 40 -8.051 -4.529 28.031 1.00 13.34 C ATOM 639 CZ3 TRP A 40 -10.183 -5.647 27.852 1.00 12.25 C ATOM 640 CH2 TRP A 40 -9.407 -4.481 27.855 1.00 72.40 C ATOM 0 H TRP A 40 -8.513 -11.820 28.294 1.00 21.45 H new ATOM 0 HA TRP A 40 -9.130 -9.434 26.931 1.00 64.40 H new ATOM 0 HB2 TRP A 40 -8.344 -9.673 29.311 1.00 22.34 H new ATOM 0 HB3 TRP A 40 -6.748 -10.079 28.713 1.00 22.34 H new ATOM 0 HD1 TRP A 40 -5.152 -8.045 28.678 1.00 14.34 H new ATOM 0 HE1 TRP A 40 -5.370 -5.479 28.445 1.00 2.03 H new ATOM 0 HE3 TRP A 40 -10.211 -7.784 28.022 1.00 10.53 H new ATOM 0 HZ2 TRP A 40 -7.455 -3.628 28.033 1.00 13.34 H new ATOM 0 HZ3 TRP A 40 -11.251 -5.573 27.711 1.00 12.25 H new ATOM 0 HH2 TRP A 40 -9.889 -3.525 27.716 1.00 72.40 H new ATOM 651 N ALA A 41 -6.388 -10.985 25.992 1.00 22.20 N ATOM 652 CA ALA A 41 -5.365 -11.036 24.956 1.00 53.14 C ATOM 653 C ALA A 41 -5.996 -11.086 23.572 1.00 42.33 C ATOM 654 O ALA A 41 -5.387 -10.679 22.584 1.00 53.05 O ATOM 655 CB ALA A 41 -4.456 -12.237 25.171 1.00 23.01 C ATOM 0 H ALA A 41 -6.378 -11.776 26.636 1.00 22.20 H new ATOM 0 HA ALA A 41 -4.766 -10.128 25.022 1.00 53.14 H new ATOM 0 HB1 ALA A 41 -3.696 -12.263 24.390 1.00 23.01 H new ATOM 0 HB2 ALA A 41 -3.973 -12.158 26.145 1.00 23.01 H new ATOM 0 HB3 ALA A 41 -5.047 -13.152 25.133 1.00 23.01 H new ATOM 661 N GLN A 42 -7.228 -11.583 23.509 1.00 45.32 N ATOM 662 CA GLN A 42 -7.948 -11.678 22.249 1.00 24.31 C ATOM 663 C GLN A 42 -8.525 -10.322 21.858 1.00 23.11 C ATOM 664 O GLN A 42 -8.544 -9.960 20.682 1.00 73.11 O ATOM 665 CB GLN A 42 -9.062 -12.719 22.359 1.00 64.34 C ATOM 666 CG GLN A 42 -8.588 -14.058 22.900 1.00 12.21 C ATOM 667 CD GLN A 42 -9.294 -15.231 22.249 1.00 5.23 C ATOM 668 OE1 GLN A 42 -9.780 -15.128 21.121 1.00 75.14 O ATOM 669 NE2 GLN A 42 -9.354 -16.355 22.955 1.00 44.42 N ATOM 0 H GLN A 42 -7.746 -11.926 24.318 1.00 45.32 H new ATOM 0 HA GLN A 42 -7.250 -11.990 21.472 1.00 24.31 H new ATOM 0 HB2 GLN A 42 -9.848 -12.332 23.007 1.00 64.34 H new ATOM 0 HB3 GLN A 42 -9.506 -12.870 21.375 1.00 64.34 H new ATOM 0 HG2 GLN A 42 -7.514 -14.151 22.740 1.00 12.21 H new ATOM 0 HG3 GLN A 42 -8.754 -14.090 23.977 1.00 12.21 H new ATOM 0 HE21 GLN A 42 -8.938 -16.396 23.885 1.00 44.42 H new ATOM 0 HE22 GLN A 42 -9.816 -17.177 22.567 1.00 44.42 H new ATOM 678 N TRP A 43 -8.988 -9.573 22.855 1.00 55.12 N ATOM 679 CA TRP A 43 -9.554 -8.252 22.611 1.00 54.33 C ATOM 680 C TRP A 43 -8.463 -7.278 22.188 1.00 32.20 C ATOM 681 O TRP A 43 -8.611 -6.567 21.198 1.00 45.45 O ATOM 682 CB TRP A 43 -10.276 -7.729 23.860 1.00 21.24 C ATOM 683 CG TRP A 43 -10.465 -6.238 23.866 1.00 14.31 C ATOM 684 CD1 TRP A 43 -9.919 -5.352 24.751 1.00 42.10 C ATOM 685 CD2 TRP A 43 -11.241 -5.459 22.944 1.00 45.21 C ATOM 686 NE1 TRP A 43 -10.310 -4.072 24.440 1.00 3.05 N ATOM 687 CE2 TRP A 43 -11.122 -4.111 23.336 1.00 43.44 C ATOM 688 CE3 TRP A 43 -12.025 -5.767 21.828 1.00 21.12 C ATOM 689 CZ2 TRP A 43 -11.756 -3.076 22.652 1.00 41.34 C ATOM 690 CZ3 TRP A 43 -12.654 -4.737 21.150 1.00 23.33 C ATOM 691 CH2 TRP A 43 -12.516 -3.407 21.564 1.00 23.41 C ATOM 0 H TRP A 43 -8.982 -9.857 23.835 1.00 55.12 H new ATOM 0 HA TRP A 43 -10.282 -8.337 21.804 1.00 54.33 H new ATOM 0 HB2 TRP A 43 -11.251 -8.211 23.934 1.00 21.24 H new ATOM 0 HB3 TRP A 43 -9.709 -8.019 24.745 1.00 21.24 H new ATOM 0 HD1 TRP A 43 -9.274 -5.619 25.575 1.00 42.10 H new ATOM 0 HE1 TRP A 43 -10.040 -3.230 24.948 1.00 3.05 H new ATOM 0 HE3 TRP A 43 -12.138 -6.790 21.501 1.00 21.12 H new ATOM 0 HZ2 TRP A 43 -11.651 -2.049 22.969 1.00 41.34 H new ATOM 0 HZ3 TRP A 43 -13.262 -4.964 20.287 1.00 23.33 H new ATOM 0 HH2 TRP A 43 -13.020 -2.626 21.013 1.00 23.41 H new ATOM 702 N GLN A 44 -7.367 -7.248 22.944 1.00 51.52 N ATOM 703 CA GLN A 44 -6.249 -6.356 22.638 1.00 3.30 C ATOM 704 C GLN A 44 -5.930 -6.385 21.146 1.00 74.45 C ATOM 705 O GLN A 44 -5.658 -5.352 20.534 1.00 32.54 O ATOM 706 CB GLN A 44 -5.016 -6.753 23.449 1.00 73.54 C ATOM 707 CG GLN A 44 -5.215 -6.634 24.952 1.00 4.42 C ATOM 708 CD GLN A 44 -4.384 -5.525 25.569 1.00 41.44 C ATOM 709 OE1 GLN A 44 -5.041 -4.629 26.298 1.00 2.02 O flip ATOM 710 NE2 GLN A 44 -3.167 -5.474 25.391 1.00 2.33 N flip ATOM 0 H GLN A 44 -7.229 -7.829 23.771 1.00 51.52 H new ATOM 0 HA GLN A 44 -6.536 -5.340 22.910 1.00 3.30 H new ATOM 0 HB2 GLN A 44 -4.747 -7.781 23.206 1.00 73.54 H new ATOM 0 HB3 GLN A 44 -4.177 -6.125 23.151 1.00 73.54 H new ATOM 0 HG2 GLN A 44 -6.269 -6.451 25.161 1.00 4.42 H new ATOM 0 HG3 GLN A 44 -4.956 -7.582 25.424 1.00 4.42 H new ATOM 0 HE21 GLN A 44 -2.704 -6.184 24.823 1.00 2.33 H new ATOM 0 HE22 GLN A 44 -2.621 -4.722 25.811 1.00 2.33 H new ATOM 719 N HIS A 45 -5.979 -7.580 20.571 1.00 5.13 N ATOM 720 CA HIS A 45 -5.710 -7.762 19.149 1.00 12.51 C ATOM 721 C HIS A 45 -6.834 -7.149 18.313 1.00 52.13 C ATOM 722 O HIS A 45 -6.584 -6.385 17.382 1.00 22.04 O ATOM 723 CB HIS A 45 -5.560 -9.253 18.828 1.00 61.45 C ATOM 724 CG HIS A 45 -5.583 -9.568 17.363 1.00 44.53 C ATOM 725 ND1 HIS A 45 -4.460 -9.535 16.567 1.00 20.33 N ATOM 726 CD2 HIS A 45 -6.606 -9.926 16.553 1.00 31.41 C ATOM 727 CE1 HIS A 45 -4.788 -9.857 15.328 1.00 42.21 C ATOM 728 NE2 HIS A 45 -6.085 -10.100 15.293 1.00 45.21 N ATOM 0 H HIS A 45 -6.203 -8.441 21.069 1.00 5.13 H new ATOM 0 HA HIS A 45 -4.778 -7.255 18.901 1.00 12.51 H new ATOM 0 HB2 HIS A 45 -4.622 -9.612 19.251 1.00 61.45 H new ATOM 0 HB3 HIS A 45 -6.363 -9.802 19.320 1.00 61.45 H new ATOM 0 HD2 HIS A 45 -7.639 -10.052 16.842 1.00 31.41 H new ATOM 0 HE1 HIS A 45 -4.111 -9.912 14.488 1.00 42.21 H new ATOM 0 HE2 HIS A 45 -6.615 -10.373 14.465 1.00 45.21 H new ATOM 736 N LYS A 46 -8.070 -7.487 18.662 1.00 55.53 N ATOM 737 CA LYS A 46 -9.237 -6.969 17.956 1.00 40.11 C ATOM 738 C LYS A 46 -9.434 -5.483 18.252 1.00 73.41 C ATOM 739 O LYS A 46 -10.119 -4.777 17.517 1.00 51.20 O ATOM 740 CB LYS A 46 -10.488 -7.756 18.353 1.00 2.14 C ATOM 741 CG LYS A 46 -11.756 -7.286 17.655 1.00 34.23 C ATOM 742 CD LYS A 46 -12.235 -8.292 16.619 1.00 13.22 C ATOM 743 CE LYS A 46 -13.632 -7.958 16.121 1.00 12.15 C ATOM 744 NZ LYS A 46 -14.629 -8.994 16.514 1.00 74.13 N ATOM 0 H LYS A 46 -8.291 -8.119 19.432 1.00 55.53 H new ATOM 0 HA LYS A 46 -9.070 -7.087 16.885 1.00 40.11 H new ATOM 0 HB2 LYS A 46 -10.330 -8.810 18.127 1.00 2.14 H new ATOM 0 HB3 LYS A 46 -10.628 -7.679 19.431 1.00 2.14 H new ATOM 0 HG2 LYS A 46 -12.540 -7.125 18.395 1.00 34.23 H new ATOM 0 HG3 LYS A 46 -11.571 -6.327 17.172 1.00 34.23 H new ATOM 0 HD2 LYS A 46 -11.542 -8.307 15.778 1.00 13.22 H new ATOM 0 HD3 LYS A 46 -12.232 -9.292 17.053 1.00 13.22 H new ATOM 0 HE2 LYS A 46 -13.938 -6.991 16.521 1.00 12.15 H new ATOM 0 HE3 LYS A 46 -13.617 -7.864 15.035 1.00 12.15 H new ATOM 0 HZ1 LYS A 46 -14.832 -9.607 15.699 1.00 74.13 H new ATOM 0 HZ2 LYS A 46 -14.245 -9.568 17.292 1.00 74.13 H new ATOM 0 HZ3 LYS A 46 -15.506 -8.531 16.826 1.00 74.13 H new ATOM 758 N GLN A 47 -8.834 -5.017 19.339 1.00 52.34 N ATOM 759 CA GLN A 47 -8.944 -3.622 19.742 1.00 41.35 C ATOM 760 C GLN A 47 -8.080 -2.725 18.860 1.00 55.42 C ATOM 761 O GLN A 47 -8.574 -1.775 18.250 1.00 61.23 O ATOM 762 CB GLN A 47 -8.526 -3.473 21.207 1.00 50.34 C ATOM 763 CG GLN A 47 -8.598 -2.047 21.725 1.00 75.45 C ATOM 764 CD GLN A 47 -7.530 -1.748 22.759 1.00 54.04 C ATOM 765 OE1 GLN A 47 -6.910 -0.685 22.735 1.00 60.30 O ATOM 766 NE2 GLN A 47 -7.309 -2.685 23.672 1.00 24.34 N ATOM 0 H GLN A 47 -8.263 -5.589 19.961 1.00 52.34 H new ATOM 0 HA GLN A 47 -9.983 -3.312 19.626 1.00 41.35 H new ATOM 0 HB2 GLN A 47 -9.165 -4.106 21.823 1.00 50.34 H new ATOM 0 HB3 GLN A 47 -7.506 -3.840 21.323 1.00 50.34 H new ATOM 0 HG2 GLN A 47 -8.493 -1.355 20.889 1.00 75.45 H new ATOM 0 HG3 GLN A 47 -9.581 -1.872 22.162 1.00 75.45 H new ATOM 0 HE21 GLN A 47 -7.847 -3.552 23.654 1.00 24.34 H new ATOM 0 HE22 GLN A 47 -6.601 -2.539 24.392 1.00 24.34 H new ATOM 775 N THR A 48 -6.788 -3.025 18.811 1.00 2.31 N ATOM 776 CA THR A 48 -5.844 -2.239 18.022 1.00 41.14 C ATOM 777 C THR A 48 -6.260 -2.153 16.552 1.00 32.32 C ATOM 778 O THR A 48 -6.003 -1.148 15.891 1.00 11.51 O ATOM 779 CB THR A 48 -4.437 -2.832 18.134 1.00 74.14 C ATOM 780 OG1 THR A 48 -3.471 -1.930 17.626 1.00 65.15 O ATOM 781 CG2 THR A 48 -4.274 -4.145 17.397 1.00 22.44 C ATOM 0 H THR A 48 -6.368 -3.809 19.310 1.00 2.31 H new ATOM 0 HA THR A 48 -5.845 -1.227 18.426 1.00 41.14 H new ATOM 0 HB THR A 48 -4.287 -3.014 19.198 1.00 74.14 H new ATOM 0 HG1 THR A 48 -2.578 -2.326 17.708 1.00 65.15 H new ATOM 0 HG21 THR A 48 -3.253 -4.507 17.520 1.00 22.44 H new ATOM 0 HG22 THR A 48 -4.970 -4.879 17.803 1.00 22.44 H new ATOM 0 HG23 THR A 48 -4.481 -3.996 16.337 1.00 22.44 H new ATOM 789 N MET A 49 -6.896 -3.204 16.039 1.00 63.31 N ATOM 790 CA MET A 49 -7.329 -3.215 14.642 1.00 24.21 C ATOM 791 C MET A 49 -8.580 -2.364 14.458 1.00 40.42 C ATOM 792 O MET A 49 -8.763 -1.734 13.416 1.00 5.35 O ATOM 793 CB MET A 49 -7.588 -4.645 14.165 1.00 25.43 C ATOM 794 CG MET A 49 -8.456 -5.455 15.111 1.00 13.45 C ATOM 795 SD MET A 49 -9.880 -6.198 14.292 1.00 74.20 S ATOM 796 CE MET A 49 -9.072 -7.325 13.159 1.00 41.13 C ATOM 0 H MET A 49 -7.121 -4.050 16.562 1.00 63.31 H new ATOM 0 HA MET A 49 -6.528 -2.789 14.039 1.00 24.21 H new ATOM 0 HB2 MET A 49 -8.066 -4.611 13.186 1.00 25.43 H new ATOM 0 HB3 MET A 49 -6.633 -5.154 14.036 1.00 25.43 H new ATOM 0 HG2 MET A 49 -7.854 -6.241 15.566 1.00 13.45 H new ATOM 0 HG3 MET A 49 -8.803 -4.811 15.919 1.00 13.45 H new ATOM 0 HE1 MET A 49 -9.819 -7.960 12.682 1.00 41.13 H new ATOM 0 HE2 MET A 49 -8.540 -6.756 12.397 1.00 41.13 H new ATOM 0 HE3 MET A 49 -8.364 -7.947 13.707 1.00 41.13 H new ATOM 806 N LEU A 50 -9.431 -2.336 15.480 1.00 10.12 N ATOM 807 CA LEU A 50 -10.653 -1.545 15.425 1.00 72.50 C ATOM 808 C LEU A 50 -10.311 -0.074 15.245 1.00 24.05 C ATOM 809 O LEU A 50 -10.783 0.574 14.314 1.00 31.33 O ATOM 810 CB LEU A 50 -11.478 -1.739 16.700 1.00 35.02 C ATOM 811 CG LEU A 50 -12.280 -3.039 16.762 1.00 62.32 C ATOM 812 CD1 LEU A 50 -12.793 -3.287 18.171 1.00 23.33 C ATOM 813 CD2 LEU A 50 -13.433 -3.003 15.771 1.00 64.03 C ATOM 0 H LEU A 50 -9.297 -2.849 16.351 1.00 10.12 H new ATOM 0 HA LEU A 50 -11.246 -1.881 14.575 1.00 72.50 H new ATOM 0 HB2 LEU A 50 -10.806 -1.703 17.558 1.00 35.02 H new ATOM 0 HB3 LEU A 50 -12.167 -0.900 16.800 1.00 35.02 H new ATOM 0 HG LEU A 50 -11.619 -3.862 16.490 1.00 62.32 H new ATOM 0 HD11 LEU A 50 -13.361 -4.217 18.193 1.00 23.33 H new ATOM 0 HD12 LEU A 50 -11.950 -3.361 18.858 1.00 23.33 H new ATOM 0 HD13 LEU A 50 -13.437 -2.461 18.474 1.00 23.33 H new ATOM 0 HD21 LEU A 50 -13.992 -3.937 15.830 1.00 64.03 H new ATOM 0 HD22 LEU A 50 -14.093 -2.169 16.011 1.00 64.03 H new ATOM 0 HD23 LEU A 50 -13.041 -2.877 14.762 1.00 64.03 H new ATOM 825 N ILE A 51 -9.472 0.443 16.133 1.00 21.21 N ATOM 826 CA ILE A 51 -9.051 1.834 16.068 1.00 51.32 C ATOM 827 C ILE A 51 -8.424 2.144 14.711 1.00 51.43 C ATOM 828 O ILE A 51 -8.545 3.256 14.197 1.00 23.00 O ATOM 829 CB ILE A 51 -8.052 2.169 17.201 1.00 73.01 C ATOM 830 CG1 ILE A 51 -8.764 2.111 18.560 1.00 34.51 C ATOM 831 CG2 ILE A 51 -7.420 3.541 16.989 1.00 5.23 C ATOM 832 CD1 ILE A 51 -8.175 1.108 19.519 1.00 32.24 C ATOM 0 H ILE A 51 -9.069 -0.083 16.909 1.00 21.21 H new ATOM 0 HA ILE A 51 -9.938 2.454 16.197 1.00 51.32 H new ATOM 0 HB ILE A 51 -7.253 1.428 17.185 1.00 73.01 H new ATOM 0 HG12 ILE A 51 -8.731 3.099 19.018 1.00 34.51 H new ATOM 0 HG13 ILE A 51 -9.815 1.870 18.398 1.00 34.51 H new ATOM 0 HG21 ILE A 51 -6.723 3.750 17.800 1.00 5.23 H new ATOM 0 HG22 ILE A 51 -6.886 3.553 16.039 1.00 5.23 H new ATOM 0 HG23 ILE A 51 -8.200 4.303 16.976 1.00 5.23 H new ATOM 0 HD11 ILE A 51 -8.733 1.128 20.455 1.00 32.24 H new ATOM 0 HD12 ILE A 51 -8.233 0.111 19.083 1.00 32.24 H new ATOM 0 HD13 ILE A 51 -7.132 1.359 19.713 1.00 32.24 H new ATOM 844 N ASN A 52 -7.755 1.152 14.138 1.00 53.30 N ATOM 845 CA ASN A 52 -7.110 1.316 12.841 1.00 52.52 C ATOM 846 C ASN A 52 -8.143 1.534 11.737 1.00 23.31 C ATOM 847 O ASN A 52 -8.072 2.513 10.994 1.00 63.50 O ATOM 848 CB ASN A 52 -6.255 0.089 12.518 1.00 74.33 C ATOM 849 CG ASN A 52 -4.986 0.033 13.347 1.00 12.23 C ATOM 850 OD1 ASN A 52 -4.920 0.594 14.441 1.00 63.13 O ATOM 851 ND2 ASN A 52 -3.970 -0.648 12.827 1.00 75.53 N ATOM 0 H ASN A 52 -7.645 0.226 14.550 1.00 53.30 H new ATOM 0 HA ASN A 52 -6.471 2.197 12.891 1.00 52.52 H new ATOM 0 HB2 ASN A 52 -6.840 -0.814 12.693 1.00 74.33 H new ATOM 0 HB3 ASN A 52 -5.994 0.100 11.460 1.00 74.33 H new ATOM 0 HD21 ASN A 52 -3.090 -0.722 13.338 1.00 75.53 H new ATOM 0 HD22 ASN A 52 -4.070 -1.097 11.917 1.00 75.53 H new ATOM 858 N GLU A 53 -9.097 0.613 11.630 1.00 22.35 N ATOM 859 CA GLU A 53 -10.138 0.702 10.609 1.00 2.12 C ATOM 860 C GLU A 53 -11.205 1.728 10.985 1.00 0.01 C ATOM 861 O GLU A 53 -11.498 2.640 10.213 1.00 44.44 O ATOM 862 CB GLU A 53 -10.785 -0.665 10.392 1.00 54.44 C ATOM 863 CG GLU A 53 -11.472 -0.805 9.041 1.00 72.53 C ATOM 864 CD GLU A 53 -10.896 -1.934 8.210 1.00 60.14 C ATOM 865 OE1 GLU A 53 -11.174 -3.109 8.529 1.00 3.25 O ATOM 866 OE2 GLU A 53 -10.165 -1.644 7.240 1.00 64.12 O ATOM 0 H GLU A 53 -9.171 -0.203 12.237 1.00 22.35 H new ATOM 0 HA GLU A 53 -9.666 1.029 9.683 1.00 2.12 H new ATOM 0 HB2 GLU A 53 -10.022 -1.438 10.484 1.00 54.44 H new ATOM 0 HB3 GLU A 53 -11.515 -0.842 11.182 1.00 54.44 H new ATOM 0 HG2 GLU A 53 -12.537 -0.979 9.195 1.00 72.53 H new ATOM 0 HG3 GLU A 53 -11.378 0.131 8.491 1.00 72.53 H new ATOM 873 N LYS A 54 -11.784 1.576 12.173 1.00 2.21 N ATOM 874 CA LYS A 54 -12.818 2.497 12.638 1.00 51.31 C ATOM 875 C LYS A 54 -12.258 3.905 12.824 1.00 13.10 C ATOM 876 O LYS A 54 -13.013 4.867 12.951 1.00 20.24 O ATOM 877 CB LYS A 54 -13.428 2.006 13.955 1.00 24.31 C ATOM 878 CG LYS A 54 -14.583 1.034 13.772 1.00 71.11 C ATOM 879 CD LYS A 54 -14.088 -0.387 13.548 1.00 44.52 C ATOM 880 CE LYS A 54 -14.771 -1.032 12.353 1.00 52.22 C ATOM 881 NZ LYS A 54 -14.040 -0.763 11.083 1.00 54.31 N ATOM 0 H LYS A 54 -11.557 0.828 12.828 1.00 2.21 H new ATOM 0 HA LYS A 54 -13.596 2.530 11.875 1.00 51.31 H new ATOM 0 HB2 LYS A 54 -12.650 1.524 14.547 1.00 24.31 H new ATOM 0 HB3 LYS A 54 -13.777 2.866 14.526 1.00 24.31 H new ATOM 0 HG2 LYS A 54 -15.226 1.062 14.652 1.00 71.11 H new ATOM 0 HG3 LYS A 54 -15.191 1.346 12.923 1.00 71.11 H new ATOM 0 HD2 LYS A 54 -13.009 -0.377 13.391 1.00 44.52 H new ATOM 0 HD3 LYS A 54 -14.275 -0.984 14.441 1.00 44.52 H new ATOM 0 HE2 LYS A 54 -14.840 -2.108 12.511 1.00 52.22 H new ATOM 0 HE3 LYS A 54 -15.791 -0.656 12.271 1.00 52.22 H new ATOM 0 HZ1 LYS A 54 -14.724 -0.593 10.318 1.00 54.31 H new ATOM 0 HZ2 LYS A 54 -13.436 0.076 11.201 1.00 54.31 H new ATOM 0 HZ3 LYS A 54 -13.449 -1.584 10.842 1.00 54.31 H new ATOM 895 N LYS A 55 -10.932 4.019 12.845 1.00 43.42 N ATOM 896 CA LYS A 55 -10.279 5.310 13.020 1.00 74.11 C ATOM 897 C LYS A 55 -10.605 5.892 14.390 1.00 31.21 C ATOM 898 O LYS A 55 -11.212 6.958 14.499 1.00 5.25 O ATOM 899 CB LYS A 55 -10.702 6.279 11.913 1.00 72.23 C ATOM 900 CG LYS A 55 -9.862 6.162 10.652 1.00 12.00 C ATOM 901 CD LYS A 55 -10.702 6.359 9.399 1.00 1.15 C ATOM 902 CE LYS A 55 -11.013 7.828 9.163 1.00 24.22 C ATOM 903 NZ LYS A 55 -12.290 8.014 8.421 1.00 61.25 N ATOM 0 H LYS A 55 -10.291 3.232 12.743 1.00 43.42 H new ATOM 0 HA LYS A 55 -9.201 5.162 12.956 1.00 74.11 H new ATOM 0 HB2 LYS A 55 -11.747 6.098 11.662 1.00 72.23 H new ATOM 0 HB3 LYS A 55 -10.637 7.300 12.290 1.00 72.23 H new ATOM 0 HG2 LYS A 55 -9.064 6.904 10.676 1.00 12.00 H new ATOM 0 HG3 LYS A 55 -9.386 5.182 10.621 1.00 12.00 H new ATOM 0 HD2 LYS A 55 -10.172 5.955 8.537 1.00 1.15 H new ATOM 0 HD3 LYS A 55 -11.633 5.799 9.492 1.00 1.15 H new ATOM 0 HE2 LYS A 55 -11.071 8.345 10.121 1.00 24.22 H new ATOM 0 HE3 LYS A 55 -10.198 8.286 8.603 1.00 24.22 H new ATOM 0 HZ1 LYS A 55 -12.465 9.029 8.281 1.00 61.25 H new ATOM 0 HZ2 LYS A 55 -12.226 7.543 7.496 1.00 61.25 H new ATOM 0 HZ3 LYS A 55 -13.072 7.600 8.967 1.00 61.25 H new ATOM 917 N LEU A 56 -10.194 5.181 15.435 1.00 30.41 N ATOM 918 CA LEU A 56 -10.432 5.612 16.807 1.00 52.41 C ATOM 919 C LEU A 56 -9.221 6.364 17.349 1.00 51.14 C ATOM 920 O LEU A 56 -8.270 6.636 16.616 1.00 44.51 O ATOM 921 CB LEU A 56 -10.728 4.392 17.680 1.00 75.54 C ATOM 922 CG LEU A 56 -12.055 3.689 17.388 1.00 34.35 C ATOM 923 CD1 LEU A 56 -12.253 2.517 18.334 1.00 32.03 C ATOM 924 CD2 LEU A 56 -13.214 4.668 17.501 1.00 14.14 C ATOM 0 H LEU A 56 -9.691 4.297 15.356 1.00 30.41 H new ATOM 0 HA LEU A 56 -11.289 6.286 16.824 1.00 52.41 H new ATOM 0 HB2 LEU A 56 -9.919 3.672 17.557 1.00 75.54 H new ATOM 0 HB3 LEU A 56 -10.722 4.703 18.725 1.00 75.54 H new ATOM 0 HG LEU A 56 -12.027 3.308 16.367 1.00 34.35 H new ATOM 0 HD11 LEU A 56 -13.202 2.027 18.113 1.00 32.03 H new ATOM 0 HD12 LEU A 56 -11.438 1.804 18.206 1.00 32.03 H new ATOM 0 HD13 LEU A 56 -12.261 2.877 19.363 1.00 32.03 H new ATOM 0 HD21 LEU A 56 -14.150 4.150 17.290 1.00 14.14 H new ATOM 0 HD22 LEU A 56 -13.246 5.079 18.510 1.00 14.14 H new ATOM 0 HD23 LEU A 56 -13.078 5.478 16.784 1.00 14.14 H new ATOM 936 N ASN A 57 -9.257 6.694 18.635 1.00 32.03 N ATOM 937 CA ASN A 57 -8.158 7.409 19.267 1.00 20.43 C ATOM 938 C ASN A 57 -8.202 7.247 20.783 1.00 1.23 C ATOM 939 O ASN A 57 -8.984 7.908 21.466 1.00 1.02 O ATOM 940 CB ASN A 57 -8.205 8.892 18.899 1.00 15.31 C ATOM 941 CG ASN A 57 -6.822 9.489 18.731 1.00 61.42 C ATOM 942 OD1 ASN A 57 -6.363 10.211 19.746 1.00 54.21 O flip ATOM 943 ND2 ASN A 57 -6.173 9.302 17.702 1.00 70.12 N flip ATOM 0 H ASN A 57 -10.035 6.478 19.258 1.00 32.03 H new ATOM 0 HA ASN A 57 -7.224 6.982 18.901 1.00 20.43 H new ATOM 0 HB2 ASN A 57 -8.766 9.016 17.973 1.00 15.31 H new ATOM 0 HB3 ASN A 57 -8.742 9.439 19.674 1.00 15.31 H new ATOM 0 HD21 ASN A 57 -6.565 8.740 16.947 1.00 70.12 H new ATOM 0 HD22 ASN A 57 -5.243 9.709 17.605 1.00 70.12 H new ATOM 950 N MET A 58 -7.358 6.361 21.301 1.00 5.10 N ATOM 951 CA MET A 58 -7.300 6.107 22.738 1.00 4.22 C ATOM 952 C MET A 58 -6.865 7.354 23.507 1.00 4.32 C ATOM 953 O MET A 58 -6.978 7.408 24.730 1.00 31.45 O ATOM 954 CB MET A 58 -6.354 4.942 23.048 1.00 30.22 C ATOM 955 CG MET A 58 -5.063 4.960 22.242 1.00 34.55 C ATOM 956 SD MET A 58 -4.847 3.475 21.242 1.00 24.45 S ATOM 957 CE MET A 58 -6.277 3.576 20.170 1.00 24.34 C ATOM 0 H MET A 58 -6.704 5.806 20.748 1.00 5.10 H new ATOM 0 HA MET A 58 -8.305 5.839 23.063 1.00 4.22 H new ATOM 0 HB2 MET A 58 -6.107 4.961 24.110 1.00 30.22 H new ATOM 0 HB3 MET A 58 -6.875 4.004 22.858 1.00 30.22 H new ATOM 0 HG2 MET A 58 -5.057 5.835 21.592 1.00 34.55 H new ATOM 0 HG3 MET A 58 -4.217 5.062 22.921 1.00 34.55 H new ATOM 0 HE1 MET A 58 -6.210 2.807 19.400 1.00 24.34 H new ATOM 0 HE2 MET A 58 -7.183 3.424 20.757 1.00 24.34 H new ATOM 0 HE3 MET A 58 -6.310 4.558 19.699 1.00 24.34 H new ATOM 967 N MET A 59 -6.370 8.359 22.790 1.00 1.01 N ATOM 968 CA MET A 59 -5.936 9.595 23.424 1.00 74.53 C ATOM 969 C MET A 59 -7.135 10.488 23.732 1.00 71.54 C ATOM 970 O MET A 59 -7.120 11.255 24.693 1.00 44.32 O ATOM 971 CB MET A 59 -4.946 10.335 22.523 1.00 2.02 C ATOM 972 CG MET A 59 -3.829 11.030 23.287 1.00 24.22 C ATOM 973 SD MET A 59 -3.387 12.624 22.571 1.00 11.43 S ATOM 974 CE MET A 59 -2.528 13.388 23.943 1.00 3.04 C ATOM 0 H MET A 59 -6.261 8.340 21.776 1.00 1.01 H new ATOM 0 HA MET A 59 -5.439 9.345 24.361 1.00 74.53 H new ATOM 0 HB2 MET A 59 -4.508 9.627 21.820 1.00 2.02 H new ATOM 0 HB3 MET A 59 -5.487 11.075 21.934 1.00 2.02 H new ATOM 0 HG2 MET A 59 -4.137 11.174 24.323 1.00 24.22 H new ATOM 0 HG3 MET A 59 -2.949 10.386 23.303 1.00 24.22 H new ATOM 0 HE1 MET A 59 -2.192 14.384 23.653 1.00 3.04 H new ATOM 0 HE2 MET A 59 -3.202 13.466 24.796 1.00 3.04 H new ATOM 0 HE3 MET A 59 -1.666 12.780 24.216 1.00 3.04 H new ATOM 984 N ASN A 60 -8.174 10.375 22.909 1.00 72.24 N ATOM 985 CA ASN A 60 -9.387 11.163 23.091 1.00 13.25 C ATOM 986 C ASN A 60 -10.438 10.368 23.860 1.00 2.34 C ATOM 987 O ASN A 60 -10.526 9.148 23.725 1.00 73.54 O ATOM 988 CB ASN A 60 -9.944 11.600 21.734 1.00 54.23 C ATOM 989 CG ASN A 60 -10.184 13.094 21.659 1.00 60.15 C ATOM 990 OD1 ASN A 60 -9.339 13.891 22.066 1.00 45.25 O ATOM 991 ND2 ASN A 60 -11.341 13.481 21.136 1.00 43.22 N ATOM 0 H ASN A 60 -8.199 9.744 22.108 1.00 72.24 H new ATOM 0 HA ASN A 60 -9.135 12.050 23.671 1.00 13.25 H new ATOM 0 HB2 ASN A 60 -9.248 11.307 20.948 1.00 54.23 H new ATOM 0 HB3 ASN A 60 -10.880 11.075 21.543 1.00 54.23 H new ATOM 0 HD21 ASN A 60 -11.559 14.474 21.059 1.00 43.22 H new ATOM 0 HD22 ASN A 60 -12.012 12.785 20.811 1.00 43.22 H new ATOM 998 N ALA A 61 -11.230 11.066 24.667 1.00 10.14 N ATOM 999 CA ALA A 61 -12.272 10.423 25.461 1.00 75.00 C ATOM 1000 C ALA A 61 -13.442 9.978 24.589 1.00 54.22 C ATOM 1001 O ALA A 61 -14.064 8.947 24.851 1.00 53.14 O ATOM 1002 CB ALA A 61 -12.755 11.367 26.554 1.00 34.33 C ATOM 0 H ALA A 61 -11.171 12.077 24.789 1.00 10.14 H new ATOM 0 HA ALA A 61 -11.844 9.533 25.922 1.00 75.00 H new ATOM 0 HB1 ALA A 61 -13.532 10.877 27.140 1.00 34.33 H new ATOM 0 HB2 ALA A 61 -11.920 11.628 27.204 1.00 34.33 H new ATOM 0 HB3 ALA A 61 -13.159 12.272 26.101 1.00 34.33 H new ATOM 1008 N GLU A 62 -13.741 10.759 23.556 1.00 55.43 N ATOM 1009 CA GLU A 62 -14.842 10.445 22.649 1.00 72.21 C ATOM 1010 C GLU A 62 -14.705 9.034 22.083 1.00 14.54 C ATOM 1011 O GLU A 62 -15.684 8.294 21.989 1.00 50.50 O ATOM 1012 CB GLU A 62 -14.890 11.460 21.505 1.00 2.31 C ATOM 1013 CG GLU A 62 -16.214 11.470 20.757 1.00 22.12 C ATOM 1014 CD GLU A 62 -17.137 12.587 21.208 1.00 43.31 C ATOM 1015 OE1 GLU A 62 -16.692 13.448 21.996 1.00 50.21 O ATOM 1016 OE2 GLU A 62 -18.307 12.601 20.771 1.00 1.12 O ATOM 0 H GLU A 62 -13.236 11.615 23.325 1.00 55.43 H new ATOM 0 HA GLU A 62 -15.770 10.498 23.218 1.00 72.21 H new ATOM 0 HB2 GLU A 62 -14.701 12.456 21.906 1.00 2.31 H new ATOM 0 HB3 GLU A 62 -14.086 11.241 20.802 1.00 2.31 H new ATOM 0 HG2 GLU A 62 -16.022 11.573 19.689 1.00 22.12 H new ATOM 0 HG3 GLU A 62 -16.714 10.512 20.900 1.00 22.12 H new ATOM 1023 N HIS A 63 -13.485 8.667 21.711 1.00 50.11 N ATOM 1024 CA HIS A 63 -13.223 7.344 21.160 1.00 60.41 C ATOM 1025 C HIS A 63 -12.979 6.328 22.270 1.00 12.50 C ATOM 1026 O HIS A 63 -13.413 5.181 22.179 1.00 40.22 O ATOM 1027 CB HIS A 63 -12.022 7.387 20.216 1.00 24.44 C ATOM 1028 CG HIS A 63 -12.279 8.147 18.954 1.00 10.20 C ATOM 1029 ND1 HIS A 63 -11.307 8.384 18.007 1.00 53.10 N ATOM 1030 CD2 HIS A 63 -13.408 8.729 18.484 1.00 33.45 C ATOM 1031 CE1 HIS A 63 -11.823 9.077 17.008 1.00 31.32 C ATOM 1032 NE2 HIS A 63 -13.098 9.298 17.273 1.00 33.54 N ATOM 0 H HIS A 63 -12.663 9.266 21.781 1.00 50.11 H new ATOM 0 HA HIS A 63 -14.104 7.034 20.598 1.00 60.41 H new ATOM 0 HB2 HIS A 63 -11.177 7.839 20.736 1.00 24.44 H new ATOM 0 HB3 HIS A 63 -11.732 6.367 19.963 1.00 24.44 H new ATOM 0 HD2 HIS A 63 -14.372 8.743 18.971 1.00 33.45 H new ATOM 0 HE1 HIS A 63 -11.294 9.406 16.126 1.00 31.32 H new ATOM 0 HE2 HIS A 63 -13.747 9.809 16.675 1.00 33.54 H new ATOM 1040 N ARG A 64 -12.278 6.757 23.316 1.00 13.31 N ATOM 1041 CA ARG A 64 -11.970 5.882 24.444 1.00 25.03 C ATOM 1042 C ARG A 64 -13.220 5.150 24.923 1.00 71.40 C ATOM 1043 O ARG A 64 -13.211 3.931 25.095 1.00 61.24 O ATOM 1044 CB ARG A 64 -11.371 6.687 25.598 1.00 40.44 C ATOM 1045 CG ARG A 64 -10.412 5.889 26.463 1.00 33.11 C ATOM 1046 CD ARG A 64 -9.139 5.548 25.708 1.00 61.24 C ATOM 1047 NE ARG A 64 -8.556 4.282 26.150 1.00 14.00 N ATOM 1048 CZ ARG A 64 -7.460 4.188 26.901 1.00 25.11 C ATOM 1049 NH1 ARG A 64 -6.830 5.280 27.317 1.00 63.42 N ATOM 1050 NH2 ARG A 64 -6.993 2.994 27.242 1.00 33.54 N ATOM 0 H ARG A 64 -11.912 7.705 23.406 1.00 13.31 H new ATOM 0 HA ARG A 64 -11.241 5.145 24.106 1.00 25.03 H new ATOM 0 HB2 ARG A 64 -10.847 7.552 25.193 1.00 40.44 H new ATOM 0 HB3 ARG A 64 -12.179 7.068 26.222 1.00 40.44 H new ATOM 0 HG2 ARG A 64 -10.164 6.461 27.357 1.00 33.11 H new ATOM 0 HG3 ARG A 64 -10.897 4.971 26.795 1.00 33.11 H new ATOM 0 HD2 ARG A 64 -9.355 5.493 24.641 1.00 61.24 H new ATOM 0 HD3 ARG A 64 -8.412 6.348 25.845 1.00 61.24 H new ATOM 0 HE ARG A 64 -9.017 3.418 25.866 1.00 14.00 H new ATOM 0 HH11 ARG A 64 -7.185 6.202 27.062 1.00 63.42 H new ATOM 0 HH12 ARG A 64 -5.991 5.197 27.892 1.00 63.42 H new ATOM 0 HH21 ARG A 64 -7.473 2.150 26.929 1.00 33.54 H new ATOM 0 HH22 ARG A 64 -6.154 2.920 27.817 1.00 33.54 H new ATOM 1064 N LYS A 65 -14.298 5.902 25.132 1.00 13.21 N ATOM 1065 CA LYS A 65 -15.554 5.319 25.584 1.00 31.33 C ATOM 1066 C LYS A 65 -16.174 4.460 24.489 1.00 61.24 C ATOM 1067 O LYS A 65 -16.938 3.537 24.770 1.00 33.24 O ATOM 1068 CB LYS A 65 -16.533 6.413 26.015 1.00 52.43 C ATOM 1069 CG LYS A 65 -16.783 7.466 24.948 1.00 2.34 C ATOM 1070 CD LYS A 65 -18.196 7.372 24.392 1.00 51.14 C ATOM 1071 CE LYS A 65 -18.657 8.702 23.815 1.00 42.14 C ATOM 1072 NZ LYS A 65 -20.080 8.993 24.146 1.00 60.30 N ATOM 0 H LYS A 65 -14.325 6.912 24.996 1.00 13.21 H new ATOM 0 HA LYS A 65 -15.342 4.684 26.444 1.00 31.33 H new ATOM 0 HB2 LYS A 65 -17.482 5.952 26.287 1.00 52.43 H new ATOM 0 HB3 LYS A 65 -16.148 6.901 26.910 1.00 52.43 H new ATOM 0 HG2 LYS A 65 -16.622 8.458 25.370 1.00 2.34 H new ATOM 0 HG3 LYS A 65 -16.063 7.343 24.139 1.00 2.34 H new ATOM 0 HD2 LYS A 65 -18.233 6.606 23.618 1.00 51.14 H new ATOM 0 HD3 LYS A 65 -18.879 7.060 25.182 1.00 51.14 H new ATOM 0 HE2 LYS A 65 -18.025 9.502 24.200 1.00 42.14 H new ATOM 0 HE3 LYS A 65 -18.532 8.690 22.732 1.00 42.14 H new ATOM 0 HZ1 LYS A 65 -20.352 9.908 23.733 1.00 60.30 H new ATOM 0 HZ2 LYS A 65 -20.687 8.244 23.757 1.00 60.30 H new ATOM 0 HZ3 LYS A 65 -20.195 9.031 25.179 1.00 60.30 H new ATOM 1086 N LEU A 66 -15.836 4.759 23.236 1.00 15.23 N ATOM 1087 CA LEU A 66 -16.360 3.999 22.110 1.00 65.44 C ATOM 1088 C LEU A 66 -15.828 2.572 22.143 1.00 64.34 C ATOM 1089 O LEU A 66 -16.570 1.617 21.911 1.00 43.34 O ATOM 1090 CB LEU A 66 -15.982 4.665 20.786 1.00 3.13 C ATOM 1091 CG LEU A 66 -17.050 4.579 19.693 1.00 44.22 C ATOM 1092 CD1 LEU A 66 -17.919 5.828 19.695 1.00 44.03 C ATOM 1093 CD2 LEU A 66 -16.403 4.378 18.332 1.00 64.02 C ATOM 0 H LEU A 66 -15.205 5.518 22.979 1.00 15.23 H new ATOM 0 HA LEU A 66 -17.447 3.976 22.190 1.00 65.44 H new ATOM 0 HB2 LEU A 66 -15.760 5.715 20.975 1.00 3.13 H new ATOM 0 HB3 LEU A 66 -15.065 4.207 20.415 1.00 3.13 H new ATOM 0 HG LEU A 66 -17.687 3.719 19.900 1.00 44.22 H new ATOM 0 HD11 LEU A 66 -18.672 5.748 18.911 1.00 44.03 H new ATOM 0 HD12 LEU A 66 -18.411 5.927 20.663 1.00 44.03 H new ATOM 0 HD13 LEU A 66 -17.297 6.704 19.513 1.00 44.03 H new ATOM 0 HD21 LEU A 66 -17.177 4.319 17.566 1.00 64.02 H new ATOM 0 HD22 LEU A 66 -15.742 5.217 18.116 1.00 64.02 H new ATOM 0 HD23 LEU A 66 -15.826 3.453 18.337 1.00 64.02 H new ATOM 1105 N LEU A 67 -14.540 2.432 22.445 1.00 63.34 N ATOM 1106 CA LEU A 67 -13.916 1.117 22.521 1.00 22.20 C ATOM 1107 C LEU A 67 -14.629 0.260 23.557 1.00 1.33 C ATOM 1108 O LEU A 67 -14.778 -0.950 23.382 1.00 4.11 O ATOM 1109 CB LEU A 67 -12.431 1.244 22.872 1.00 1.32 C ATOM 1110 CG LEU A 67 -11.463 1.090 21.696 1.00 21.52 C ATOM 1111 CD1 LEU A 67 -10.033 0.987 22.198 1.00 44.30 C ATOM 1112 CD2 LEU A 67 -11.820 -0.129 20.853 1.00 25.32 C ATOM 0 H LEU A 67 -13.911 3.211 22.640 1.00 63.34 H new ATOM 0 HA LEU A 67 -13.999 0.637 21.546 1.00 22.20 H new ATOM 0 HB2 LEU A 67 -12.266 2.219 23.331 1.00 1.32 H new ATOM 0 HB3 LEU A 67 -12.187 0.492 23.622 1.00 1.32 H new ATOM 0 HG LEU A 67 -11.549 1.975 21.066 1.00 21.52 H new ATOM 0 HD11 LEU A 67 -9.357 0.878 21.350 1.00 44.30 H new ATOM 0 HD12 LEU A 67 -9.776 1.889 22.753 1.00 44.30 H new ATOM 0 HD13 LEU A 67 -9.938 0.120 22.851 1.00 44.30 H new ATOM 0 HD21 LEU A 67 -11.118 -0.216 20.024 1.00 25.32 H new ATOM 0 HD22 LEU A 67 -11.767 -1.026 21.470 1.00 25.32 H new ATOM 0 HD23 LEU A 67 -12.831 -0.017 20.462 1.00 25.32 H new ATOM 1124 N GLU A 68 -15.085 0.899 24.631 1.00 45.01 N ATOM 1125 CA GLU A 68 -15.801 0.196 25.686 1.00 31.11 C ATOM 1126 C GLU A 68 -17.045 -0.484 25.118 1.00 33.44 C ATOM 1127 O GLU A 68 -17.587 -1.414 25.716 1.00 63.34 O ATOM 1128 CB GLU A 68 -16.201 1.163 26.805 1.00 31.53 C ATOM 1129 CG GLU A 68 -15.060 1.531 27.739 1.00 52.31 C ATOM 1130 CD GLU A 68 -15.532 2.288 28.966 1.00 75.24 C ATOM 1131 OE1 GLU A 68 -16.737 2.208 29.286 1.00 60.33 O ATOM 1132 OE2 GLU A 68 -14.697 2.962 29.605 1.00 41.25 O ATOM 0 H GLU A 68 -14.971 1.900 24.792 1.00 45.01 H new ATOM 0 HA GLU A 68 -15.138 -0.563 26.102 1.00 31.11 H new ATOM 0 HB2 GLU A 68 -16.600 2.074 26.359 1.00 31.53 H new ATOM 0 HB3 GLU A 68 -17.005 0.715 27.389 1.00 31.53 H new ATOM 0 HG2 GLU A 68 -14.545 0.623 28.053 1.00 52.31 H new ATOM 0 HG3 GLU A 68 -14.334 2.139 27.198 1.00 52.31 H new ATOM 1139 N GLN A 69 -17.490 -0.006 23.959 1.00 45.54 N ATOM 1140 CA GLN A 69 -18.668 -0.551 23.300 1.00 31.33 C ATOM 1141 C GLN A 69 -18.339 -1.824 22.522 1.00 54.04 C ATOM 1142 O GLN A 69 -19.016 -2.840 22.666 1.00 73.31 O ATOM 1143 CB GLN A 69 -19.262 0.496 22.355 1.00 42.43 C ATOM 1144 CG GLN A 69 -20.718 0.245 22.002 1.00 52.05 C ATOM 1145 CD GLN A 69 -21.619 0.230 23.221 1.00 70.01 C ATOM 1146 OE1 GLN A 69 -22.611 -0.654 23.211 1.00 75.11 O flip ATOM 1147 NE2 GLN A 69 -21.426 1.003 24.159 1.00 70.13 N flip ATOM 0 H GLN A 69 -17.047 0.763 23.456 1.00 45.54 H new ATOM 0 HA GLN A 69 -19.395 -0.808 24.070 1.00 31.33 H new ATOM 0 HB2 GLN A 69 -19.174 1.480 22.816 1.00 42.43 H new ATOM 0 HB3 GLN A 69 -18.674 0.520 21.438 1.00 42.43 H new ATOM 0 HG2 GLN A 69 -21.059 1.017 21.312 1.00 52.05 H new ATOM 0 HG3 GLN A 69 -20.802 -0.708 21.481 1.00 52.05 H new ATOM 0 HE21 GLN A 69 -20.651 1.665 24.123 1.00 70.13 H new ATOM 0 HE22 GLN A 69 -22.041 0.981 24.973 1.00 70.13 H new ATOM 1156 N GLU A 70 -17.309 -1.756 21.681 1.00 3.11 N ATOM 1157 CA GLU A 70 -16.911 -2.899 20.866 1.00 33.15 C ATOM 1158 C GLU A 70 -16.385 -4.055 21.715 1.00 4.01 C ATOM 1159 O GLU A 70 -16.783 -5.202 21.519 1.00 44.01 O ATOM 1160 CB GLU A 70 -15.852 -2.477 19.847 1.00 60.04 C ATOM 1161 CG GLU A 70 -16.392 -1.571 18.753 1.00 12.23 C ATOM 1162 CD GLU A 70 -16.331 -2.211 17.380 1.00 62.35 C ATOM 1163 OE1 GLU A 70 -16.372 -3.457 17.302 1.00 42.42 O ATOM 1164 OE2 GLU A 70 -16.240 -1.466 16.383 1.00 22.20 O ATOM 0 H GLU A 70 -16.737 -0.922 21.547 1.00 3.11 H new ATOM 0 HA GLU A 70 -17.801 -3.251 20.344 1.00 33.15 H new ATOM 0 HB2 GLU A 70 -15.043 -1.964 20.367 1.00 60.04 H new ATOM 0 HB3 GLU A 70 -15.422 -3.369 19.390 1.00 60.04 H new ATOM 0 HG2 GLU A 70 -17.425 -1.308 18.981 1.00 12.23 H new ATOM 0 HG3 GLU A 70 -15.822 -0.642 18.742 1.00 12.23 H new ATOM 1171 N MET A 71 -15.481 -3.755 22.647 1.00 72.11 N ATOM 1172 CA MET A 71 -14.900 -4.787 23.506 1.00 42.11 C ATOM 1173 C MET A 71 -15.974 -5.724 24.062 1.00 0.22 C ATOM 1174 O MET A 71 -15.717 -6.906 24.290 1.00 15.12 O ATOM 1175 CB MET A 71 -14.089 -4.148 24.639 1.00 44.14 C ATOM 1176 CG MET A 71 -14.897 -3.811 25.881 1.00 2.34 C ATOM 1177 SD MET A 71 -14.057 -2.622 26.942 1.00 23.31 S ATOM 1178 CE MET A 71 -12.383 -3.247 26.896 1.00 23.35 C ATOM 0 H MET A 71 -15.137 -2.812 22.826 1.00 72.11 H new ATOM 0 HA MET A 71 -14.226 -5.390 22.897 1.00 42.11 H new ATOM 0 HB2 MET A 71 -13.283 -4.826 24.919 1.00 44.14 H new ATOM 0 HB3 MET A 71 -13.623 -3.236 24.266 1.00 44.14 H new ATOM 0 HG2 MET A 71 -15.865 -3.408 25.584 1.00 2.34 H new ATOM 0 HG3 MET A 71 -15.091 -4.724 26.444 1.00 2.34 H new ATOM 0 HE1 MET A 71 -11.864 -2.964 27.812 1.00 23.35 H new ATOM 0 HE2 MET A 71 -12.402 -4.333 26.810 1.00 23.35 H new ATOM 0 HE3 MET A 71 -11.860 -2.825 26.038 1.00 23.35 H new ATOM 1188 N VAL A 72 -17.177 -5.197 24.261 1.00 73.42 N ATOM 1189 CA VAL A 72 -18.283 -6.002 24.770 1.00 11.44 C ATOM 1190 C VAL A 72 -18.664 -7.073 23.758 1.00 55.10 C ATOM 1191 O VAL A 72 -18.616 -8.264 24.053 1.00 31.33 O ATOM 1192 CB VAL A 72 -19.524 -5.136 25.076 1.00 43.11 C ATOM 1193 CG1 VAL A 72 -20.704 -5.995 25.524 1.00 1.44 C ATOM 1194 CG2 VAL A 72 -19.189 -4.095 26.128 1.00 54.21 C ATOM 0 H VAL A 72 -17.411 -4.221 24.079 1.00 73.42 H new ATOM 0 HA VAL A 72 -17.946 -6.467 25.697 1.00 11.44 H new ATOM 0 HB VAL A 72 -19.817 -4.627 24.158 1.00 43.11 H new ATOM 0 HG11 VAL A 72 -21.562 -5.355 25.732 1.00 1.44 H new ATOM 0 HG12 VAL A 72 -20.961 -6.701 24.734 1.00 1.44 H new ATOM 0 HG13 VAL A 72 -20.433 -6.543 26.426 1.00 1.44 H new ATOM 0 HG21 VAL A 72 -20.072 -3.490 26.336 1.00 54.21 H new ATOM 0 HG22 VAL A 72 -18.867 -4.593 27.043 1.00 54.21 H new ATOM 0 HG23 VAL A 72 -18.387 -3.453 25.762 1.00 54.21 H new ATOM 1204 N ASN A 73 -19.032 -6.637 22.560 1.00 64.34 N ATOM 1205 CA ASN A 73 -19.416 -7.557 21.495 1.00 33.53 C ATOM 1206 C ASN A 73 -18.370 -8.658 21.308 1.00 45.13 C ATOM 1207 O ASN A 73 -18.657 -9.709 20.738 1.00 11.01 O ATOM 1208 CB ASN A 73 -19.613 -6.792 20.184 1.00 64.34 C ATOM 1209 CG ASN A 73 -20.961 -7.072 19.547 1.00 32.25 C ATOM 1210 OD1 ASN A 73 -21.041 -7.612 18.445 1.00 4.54 O ATOM 1211 ND2 ASN A 73 -22.030 -6.704 20.243 1.00 43.31 N ATOM 0 H ASN A 73 -19.073 -5.651 22.301 1.00 64.34 H new ATOM 0 HA ASN A 73 -20.356 -8.029 21.781 1.00 33.53 H new ATOM 0 HB2 ASN A 73 -19.519 -5.723 20.373 1.00 64.34 H new ATOM 0 HB3 ASN A 73 -18.821 -7.063 19.486 1.00 64.34 H new ATOM 0 HD21 ASN A 73 -22.964 -6.866 19.867 1.00 43.31 H new ATOM 0 HD22 ASN A 73 -21.917 -6.259 21.154 1.00 43.31 H new ATOM 1218 N PHE A 74 -17.152 -8.404 21.784 1.00 74.22 N ATOM 1219 CA PHE A 74 -16.070 -9.372 21.664 1.00 43.41 C ATOM 1220 C PHE A 74 -15.932 -10.230 22.920 1.00 53.44 C ATOM 1221 O PHE A 74 -15.859 -11.455 22.837 1.00 24.31 O ATOM 1222 CB PHE A 74 -14.751 -8.653 21.382 1.00 54.04 C ATOM 1223 CG PHE A 74 -13.690 -9.558 20.830 1.00 3.15 C ATOM 1224 CD1 PHE A 74 -13.745 -9.987 19.515 1.00 23.30 C ATOM 1225 CD2 PHE A 74 -12.642 -9.983 21.629 1.00 73.25 C ATOM 1226 CE1 PHE A 74 -12.771 -10.823 19.005 1.00 1.20 C ATOM 1227 CE2 PHE A 74 -11.665 -10.819 21.126 1.00 32.35 C ATOM 1228 CZ PHE A 74 -11.730 -11.240 19.812 1.00 14.42 C ATOM 0 H PHE A 74 -16.893 -7.537 22.255 1.00 74.22 H new ATOM 0 HA PHE A 74 -16.313 -10.034 20.833 1.00 43.41 H new ATOM 0 HB2 PHE A 74 -14.931 -7.842 20.676 1.00 54.04 H new ATOM 0 HB3 PHE A 74 -14.388 -8.199 22.304 1.00 54.04 H new ATOM 0 HD1 PHE A 74 -14.558 -9.665 18.881 1.00 23.30 H new ATOM 0 HD2 PHE A 74 -12.588 -9.657 22.657 1.00 73.25 H new ATOM 0 HE1 PHE A 74 -12.823 -11.150 17.977 1.00 1.20 H new ATOM 0 HE2 PHE A 74 -10.852 -11.143 21.759 1.00 32.35 H new ATOM 0 HZ PHE A 74 -10.968 -11.895 19.416 1.00 14.42 H new ATOM 1238 N LEU A 75 -15.870 -9.584 24.082 1.00 52.12 N ATOM 1239 CA LEU A 75 -15.708 -10.300 25.346 1.00 13.42 C ATOM 1240 C LEU A 75 -17.018 -10.396 26.128 1.00 31.53 C ATOM 1241 O LEU A 75 -17.357 -11.457 26.654 1.00 14.55 O ATOM 1242 CB LEU A 75 -14.645 -9.611 26.204 1.00 43.21 C ATOM 1243 CG LEU A 75 -13.412 -9.117 25.440 1.00 43.31 C ATOM 1244 CD1 LEU A 75 -13.028 -7.716 25.891 1.00 63.10 C ATOM 1245 CD2 LEU A 75 -12.245 -10.080 25.621 1.00 74.13 C ATOM 0 H LEU A 75 -15.929 -8.570 24.175 1.00 52.12 H new ATOM 0 HA LEU A 75 -15.392 -11.315 25.106 1.00 13.42 H new ATOM 0 HB2 LEU A 75 -15.104 -8.762 26.710 1.00 43.21 H new ATOM 0 HB3 LEU A 75 -14.319 -10.306 26.978 1.00 43.21 H new ATOM 0 HG LEU A 75 -13.660 -9.078 24.379 1.00 43.31 H new ATOM 0 HD11 LEU A 75 -12.150 -7.383 25.337 1.00 63.10 H new ATOM 0 HD12 LEU A 75 -13.857 -7.033 25.703 1.00 63.10 H new ATOM 0 HD13 LEU A 75 -12.802 -7.726 26.957 1.00 63.10 H new ATOM 0 HD21 LEU A 75 -11.380 -9.711 25.071 1.00 74.13 H new ATOM 0 HD22 LEU A 75 -11.996 -10.156 26.680 1.00 74.13 H new ATOM 0 HD23 LEU A 75 -12.523 -11.064 25.243 1.00 74.13 H new ATOM 1257 N PHE A 76 -17.740 -9.286 26.219 1.00 73.34 N ATOM 1258 CA PHE A 76 -19.003 -9.248 26.956 1.00 61.03 C ATOM 1259 C PHE A 76 -20.201 -9.428 26.039 1.00 53.21 C ATOM 1260 O PHE A 76 -21.289 -8.924 26.317 1.00 1.11 O ATOM 1261 CB PHE A 76 -19.149 -7.925 27.669 1.00 51.14 C ATOM 1262 CG PHE A 76 -18.033 -7.621 28.613 1.00 33.21 C ATOM 1263 CD1 PHE A 76 -17.714 -8.494 29.636 1.00 44.41 C ATOM 1264 CD2 PHE A 76 -17.301 -6.455 28.474 1.00 2.43 C ATOM 1265 CE1 PHE A 76 -16.684 -8.208 30.507 1.00 73.25 C ATOM 1266 CE2 PHE A 76 -16.272 -6.164 29.339 1.00 14.30 C ATOM 1267 CZ PHE A 76 -15.964 -7.042 30.356 1.00 10.35 C ATOM 0 H PHE A 76 -17.475 -8.398 25.792 1.00 73.34 H new ATOM 0 HA PHE A 76 -18.979 -10.071 27.670 1.00 61.03 H new ATOM 0 HB2 PHE A 76 -19.212 -7.129 26.927 1.00 51.14 H new ATOM 0 HB3 PHE A 76 -20.089 -7.922 28.220 1.00 51.14 H new ATOM 0 HD1 PHE A 76 -18.277 -9.408 29.754 1.00 44.41 H new ATOM 0 HD2 PHE A 76 -17.540 -5.766 27.678 1.00 2.43 H new ATOM 0 HE1 PHE A 76 -16.442 -8.895 31.305 1.00 73.25 H new ATOM 0 HE2 PHE A 76 -15.707 -5.251 29.222 1.00 14.30 H new ATOM 0 HZ PHE A 76 -15.156 -6.816 31.036 1.00 10.35 H new ATOM 1277 N GLU A 77 -19.988 -10.130 24.949 1.00 54.11 N ATOM 1278 CA GLU A 77 -21.037 -10.377 23.969 1.00 1.24 C ATOM 1279 C GLU A 77 -22.110 -11.292 24.543 1.00 64.35 C ATOM 1280 O GLU A 77 -22.357 -12.385 24.033 1.00 22.34 O ATOM 1281 CB GLU A 77 -20.451 -10.996 22.700 1.00 71.23 C ATOM 1282 CG GLU A 77 -21.329 -10.801 21.471 1.00 55.43 C ATOM 1283 CD GLU A 77 -21.554 -12.087 20.698 1.00 0.31 C ATOM 1284 OE1 GLU A 77 -21.210 -13.167 21.223 1.00 30.04 O ATOM 1285 OE2 GLU A 77 -22.078 -12.015 19.567 1.00 31.00 O ATOM 0 H GLU A 77 -19.088 -10.547 24.712 1.00 54.11 H new ATOM 0 HA GLU A 77 -21.493 -9.420 23.718 1.00 1.24 H new ATOM 0 HB2 GLU A 77 -19.471 -10.558 22.510 1.00 71.23 H new ATOM 0 HB3 GLU A 77 -20.298 -12.063 22.862 1.00 71.23 H new ATOM 0 HG2 GLU A 77 -22.292 -10.395 21.779 1.00 55.43 H new ATOM 0 HG3 GLU A 77 -20.868 -10.064 20.814 1.00 55.43 H new ATOM 1292 N GLY A 78 -22.740 -10.832 25.609 1.00 23.53 N ATOM 1293 CA GLY A 78 -23.780 -11.606 26.253 1.00 62.55 C ATOM 1294 C GLY A 78 -24.589 -10.772 27.222 1.00 72.21 C ATOM 1295 O GLY A 78 -25.795 -10.974 27.371 1.00 64.15 O ATOM 0 H GLY A 78 -22.549 -9.929 26.044 1.00 23.53 H new ATOM 0 HA2 GLY A 78 -24.442 -12.025 25.495 1.00 62.55 H new ATOM 0 HA3 GLY A 78 -23.331 -12.445 26.784 1.00 62.55 H new ATOM 1299 N LYS A 79 -23.925 -9.829 27.881 1.00 32.33 N ATOM 1300 CA LYS A 79 -24.591 -8.959 28.840 1.00 32.52 C ATOM 1301 C LYS A 79 -25.164 -7.726 28.148 1.00 51.14 C ATOM 1302 O LYS A 79 -26.362 -7.453 28.236 1.00 73.20 O ATOM 1303 CB LYS A 79 -23.616 -8.536 29.942 1.00 2.30 C ATOM 1304 CG LYS A 79 -23.946 -9.127 31.303 1.00 54.35 C ATOM 1305 CD LYS A 79 -25.143 -8.433 31.935 1.00 61.23 C ATOM 1306 CE LYS A 79 -24.871 -8.039 33.379 1.00 14.24 C ATOM 1307 NZ LYS A 79 -25.160 -6.599 33.628 1.00 33.31 N ATOM 0 H LYS A 79 -22.927 -9.649 27.768 1.00 32.33 H new ATOM 0 HA LYS A 79 -25.413 -9.516 29.289 1.00 32.52 H new ATOM 0 HB2 LYS A 79 -22.607 -8.837 29.659 1.00 2.30 H new ATOM 0 HB3 LYS A 79 -23.615 -7.449 30.017 1.00 2.30 H new ATOM 0 HG2 LYS A 79 -24.155 -10.192 31.198 1.00 54.35 H new ATOM 0 HG3 LYS A 79 -23.081 -9.035 31.960 1.00 54.35 H new ATOM 0 HD2 LYS A 79 -25.394 -7.544 31.357 1.00 61.23 H new ATOM 0 HD3 LYS A 79 -26.009 -9.094 31.896 1.00 61.23 H new ATOM 0 HE2 LYS A 79 -25.481 -8.651 34.043 1.00 14.24 H new ATOM 0 HE3 LYS A 79 -23.829 -8.247 33.621 1.00 14.24 H new ATOM 0 HZ1 LYS A 79 -25.540 -6.482 34.589 1.00 33.31 H new ATOM 0 HZ2 LYS A 79 -24.283 -6.047 33.533 1.00 33.31 H new ATOM 0 HZ3 LYS A 79 -25.859 -6.261 32.936 1.00 33.31 H new ATOM 1321 N GLU A 80 -24.302 -6.981 27.462 1.00 54.33 N ATOM 1322 CA GLU A 80 -24.727 -5.774 26.762 1.00 42.52 C ATOM 1323 C GLU A 80 -25.446 -4.830 27.719 1.00 1.35 C ATOM 1324 O GLU A 80 -26.666 -4.670 27.655 1.00 50.30 O ATOM 1325 CB GLU A 80 -25.639 -6.132 25.588 1.00 72.03 C ATOM 1326 CG GLU A 80 -24.997 -7.075 24.583 1.00 31.34 C ATOM 1327 CD GLU A 80 -25.945 -7.469 23.468 1.00 54.44 C ATOM 1328 OE1 GLU A 80 -27.133 -7.717 23.758 1.00 30.25 O ATOM 1329 OE2 GLU A 80 -25.497 -7.528 22.303 1.00 51.11 O ATOM 0 H GLU A 80 -23.308 -7.191 27.376 1.00 54.33 H new ATOM 0 HA GLU A 80 -23.842 -5.270 26.375 1.00 42.52 H new ATOM 0 HB2 GLU A 80 -26.550 -6.590 25.973 1.00 72.03 H new ATOM 0 HB3 GLU A 80 -25.935 -5.216 25.076 1.00 72.03 H new ATOM 0 HG2 GLU A 80 -24.115 -6.598 24.154 1.00 31.34 H new ATOM 0 HG3 GLU A 80 -24.655 -7.972 25.099 1.00 31.34 H new ATOM 1336 N VAL A 81 -24.682 -4.219 28.619 1.00 1.11 N ATOM 1337 CA VAL A 81 -25.229 -3.307 29.606 1.00 33.02 C ATOM 1338 C VAL A 81 -25.335 -1.879 29.068 1.00 43.32 C ATOM 1339 O VAL A 81 -25.264 -0.917 29.833 1.00 70.23 O ATOM 1340 CB VAL A 81 -24.360 -3.299 30.876 1.00 62.31 C ATOM 1341 CG1 VAL A 81 -25.069 -2.570 32.001 1.00 44.42 C ATOM 1342 CG2 VAL A 81 -23.999 -4.719 31.292 1.00 2.11 C ATOM 0 H VAL A 81 -23.672 -4.344 28.681 1.00 1.11 H new ATOM 0 HA VAL A 81 -26.231 -3.663 29.843 1.00 33.02 H new ATOM 0 HB VAL A 81 -23.434 -2.767 30.655 1.00 62.31 H new ATOM 0 HG11 VAL A 81 -24.440 -2.574 32.891 1.00 44.42 H new ATOM 0 HG12 VAL A 81 -25.266 -1.541 31.701 1.00 44.42 H new ATOM 0 HG13 VAL A 81 -26.012 -3.070 32.221 1.00 44.42 H new ATOM 0 HG21 VAL A 81 -23.385 -4.689 32.192 1.00 2.11 H new ATOM 0 HG22 VAL A 81 -24.910 -5.282 31.493 1.00 2.11 H new ATOM 0 HG23 VAL A 81 -23.443 -5.203 30.489 1.00 2.11 H new ATOM 1352 N HIS A 82 -25.505 -1.743 27.757 1.00 1.34 N ATOM 1353 CA HIS A 82 -25.622 -0.429 27.137 1.00 24.43 C ATOM 1354 C HIS A 82 -27.009 -0.234 26.538 1.00 41.42 C ATOM 1355 O HIS A 82 -27.268 -0.628 25.400 1.00 1.31 O ATOM 1356 CB HIS A 82 -24.554 -0.256 26.058 1.00 12.43 C ATOM 1357 CG HIS A 82 -23.163 -0.453 26.571 1.00 72.21 C ATOM 1358 ND1 HIS A 82 -22.457 0.231 27.502 1.00 25.14 N flip ATOM 1359 CD2 HIS A 82 -22.336 -1.463 26.135 1.00 64.43 C flip ATOM 1360 CE1 HIS A 82 -21.229 -0.373 27.609 1.00 2.20 C flip ATOM 1361 NE2 HIS A 82 -21.182 -1.394 26.773 1.00 45.11 N flip ATOM 0 H HIS A 82 -25.565 -2.525 27.105 1.00 1.34 H new ATOM 0 HA HIS A 82 -25.472 0.326 27.908 1.00 24.43 H new ATOM 0 HB2 HIS A 82 -24.742 -0.966 25.253 1.00 12.43 H new ATOM 0 HB3 HIS A 82 -24.638 0.742 25.629 1.00 12.43 H new ATOM 0 HD1 HIS A 82 -22.778 1.045 28.027 1.00 25.14 H new ATOM 0 HD2 HIS A 82 -22.591 -2.198 25.387 1.00 64.43 H new ATOM 0 HE1 HIS A 82 -20.432 -0.064 28.269 1.00 2.20 H new ATOM 1369 N ILE A 83 -27.898 0.374 27.314 1.00 41.44 N ATOM 1370 CA ILE A 83 -29.263 0.622 26.868 1.00 51.00 C ATOM 1371 C ILE A 83 -29.344 1.881 26.014 1.00 64.22 C ATOM 1372 O ILE A 83 -28.714 2.893 26.320 1.00 51.35 O ATOM 1373 CB ILE A 83 -30.224 0.764 28.065 1.00 32.41 C ATOM 1374 CG1 ILE A 83 -30.020 -0.388 29.051 1.00 3.23 C ATOM 1375 CG2 ILE A 83 -31.666 0.813 27.584 1.00 53.41 C ATOM 1376 CD1 ILE A 83 -29.149 -0.025 30.234 1.00 15.41 C ATOM 0 H ILE A 83 -27.697 0.705 28.258 1.00 41.44 H new ATOM 0 HA ILE A 83 -29.562 -0.238 26.268 1.00 51.00 H new ATOM 0 HB ILE A 83 -30.004 1.699 28.581 1.00 32.41 H new ATOM 0 HG12 ILE A 83 -30.992 -0.721 29.415 1.00 3.23 H new ATOM 0 HG13 ILE A 83 -29.571 -1.231 28.525 1.00 3.23 H new ATOM 0 HG21 ILE A 83 -32.332 0.913 28.441 1.00 53.41 H new ATOM 0 HG22 ILE A 83 -31.799 1.666 26.919 1.00 53.41 H new ATOM 0 HG23 ILE A 83 -31.902 -0.106 27.047 1.00 53.41 H new ATOM 0 HD11 ILE A 83 -29.048 -0.889 30.890 1.00 15.41 H new ATOM 0 HD12 ILE A 83 -28.164 0.279 29.881 1.00 15.41 H new ATOM 0 HD13 ILE A 83 -29.607 0.797 30.784 1.00 15.41 H new ATOM 1388 N GLU A 84 -30.130 1.812 24.942 1.00 1.31 N ATOM 1389 CA GLU A 84 -30.297 2.949 24.045 1.00 55.30 C ATOM 1390 C GLU A 84 -31.773 3.293 23.873 1.00 43.44 C ATOM 1391 O GLU A 84 -32.647 2.468 24.139 1.00 20.11 O ATOM 1392 CB GLU A 84 -29.663 2.650 22.684 1.00 43.15 C ATOM 1393 CG GLU A 84 -28.461 3.525 22.369 1.00 21.54 C ATOM 1394 CD GLU A 84 -27.669 3.022 21.179 1.00 12.54 C ATOM 1395 OE1 GLU A 84 -28.294 2.593 20.188 1.00 0.44 O ATOM 1396 OE2 GLU A 84 -26.421 3.058 21.238 1.00 44.45 O ATOM 0 H GLU A 84 -30.659 0.982 24.675 1.00 1.31 H new ATOM 0 HA GLU A 84 -29.794 3.808 24.488 1.00 55.30 H new ATOM 0 HB2 GLU A 84 -29.358 1.604 22.656 1.00 43.15 H new ATOM 0 HB3 GLU A 84 -30.414 2.784 21.905 1.00 43.15 H new ATOM 0 HG2 GLU A 84 -28.799 4.542 22.172 1.00 21.54 H new ATOM 0 HG3 GLU A 84 -27.810 3.569 23.242 1.00 21.54 H new ATOM 1403 N GLY A 85 -32.044 4.516 23.430 1.00 74.03 N ATOM 1404 CA GLY A 85 -33.415 4.946 23.233 1.00 44.45 C ATOM 1405 C GLY A 85 -34.202 4.984 24.530 1.00 62.51 C ATOM 1406 O GLY A 85 -35.353 4.553 24.577 1.00 51.43 O ATOM 0 H GLY A 85 -31.338 5.217 23.204 1.00 74.03 H new ATOM 0 HA2 GLY A 85 -33.420 5.937 22.779 1.00 44.45 H new ATOM 0 HA3 GLY A 85 -33.907 4.272 22.532 1.00 44.45 H new ATOM 1410 N TYR A 86 -33.577 5.503 25.583 1.00 23.45 N ATOM 1411 CA TYR A 86 -34.225 5.595 26.887 1.00 62.13 C ATOM 1412 C TYR A 86 -34.982 6.911 27.026 1.00 32.32 C ATOM 1413 O TYR A 86 -34.383 7.986 27.045 1.00 34.34 O ATOM 1414 CB TYR A 86 -33.186 5.471 28.003 1.00 13.40 C ATOM 1415 CG TYR A 86 -33.790 5.400 29.388 1.00 33.51 C ATOM 1416 CD1 TYR A 86 -34.123 6.556 30.081 1.00 12.00 C ATOM 1417 CD2 TYR A 86 -34.025 4.176 30.003 1.00 70.14 C ATOM 1418 CE1 TYR A 86 -34.673 6.495 31.348 1.00 22.22 C ATOM 1419 CE2 TYR A 86 -34.576 4.107 31.268 1.00 4.42 C ATOM 1420 CZ TYR A 86 -34.897 5.268 31.936 1.00 21.22 C ATOM 1421 OH TYR A 86 -35.447 5.205 33.195 1.00 42.32 O ATOM 0 H TYR A 86 -32.624 5.866 25.559 1.00 23.45 H new ATOM 0 HA TYR A 86 -34.939 4.776 26.970 1.00 62.13 H new ATOM 0 HB2 TYR A 86 -32.586 4.578 27.831 1.00 13.40 H new ATOM 0 HB3 TYR A 86 -32.509 6.324 27.954 1.00 13.40 H new ATOM 0 HD1 TYR A 86 -33.950 7.519 29.623 1.00 12.00 H new ATOM 0 HD2 TYR A 86 -33.773 3.264 29.483 1.00 70.14 H new ATOM 0 HE1 TYR A 86 -34.926 7.404 31.874 1.00 22.22 H new ATOM 0 HE2 TYR A 86 -34.754 3.148 31.731 1.00 4.42 H new ATOM 0 HH TYR A 86 -35.541 4.267 33.465 1.00 42.32 H new ATOM 1431 N THR A 87 -36.305 6.819 27.122 1.00 34.54 N ATOM 1432 CA THR A 87 -37.148 8.001 27.258 1.00 13.52 C ATOM 1433 C THR A 87 -37.722 8.102 28.672 1.00 71.31 C ATOM 1434 O THR A 87 -38.631 7.356 29.035 1.00 14.22 O ATOM 1435 CB THR A 87 -38.286 7.958 26.237 1.00 53.41 C ATOM 1436 OG1 THR A 87 -38.587 6.620 25.881 1.00 61.40 O ATOM 1437 CG2 THR A 87 -37.974 8.712 24.963 1.00 74.10 C ATOM 0 H THR A 87 -36.816 5.937 27.108 1.00 34.54 H new ATOM 0 HA THR A 87 -36.532 8.881 27.072 1.00 13.52 H new ATOM 0 HB THR A 87 -39.134 8.438 26.726 1.00 53.41 H new ATOM 0 HG1 THR A 87 -39.318 6.612 25.229 1.00 61.40 H new ATOM 0 HG21 THR A 87 -38.822 8.642 24.282 1.00 74.10 H new ATOM 0 HG22 THR A 87 -37.783 9.759 25.198 1.00 74.10 H new ATOM 0 HG23 THR A 87 -37.092 8.279 24.491 1.00 74.10 H new ATOM 1445 N PRO A 88 -37.197 9.031 29.492 1.00 52.40 N ATOM 1446 CA PRO A 88 -37.664 9.221 30.869 1.00 15.22 C ATOM 1447 C PRO A 88 -39.033 9.891 30.930 1.00 14.22 C ATOM 1448 O PRO A 88 -39.198 11.029 30.488 1.00 24.20 O ATOM 1449 CB PRO A 88 -36.599 10.131 31.479 1.00 70.12 C ATOM 1450 CG PRO A 88 -36.057 10.899 30.326 1.00 61.15 C ATOM 1451 CD PRO A 88 -36.109 9.967 29.146 1.00 62.05 C ATOM 0 HA PRO A 88 -37.788 8.273 31.392 1.00 15.22 H new ATOM 0 HB2 PRO A 88 -37.027 10.794 32.231 1.00 70.12 H new ATOM 0 HB3 PRO A 88 -35.818 9.552 31.972 1.00 70.12 H new ATOM 0 HG2 PRO A 88 -36.649 11.796 30.142 1.00 61.15 H new ATOM 0 HG3 PRO A 88 -35.035 11.226 30.520 1.00 61.15 H new ATOM 0 HD2 PRO A 88 -36.320 10.503 28.221 1.00 62.05 H new ATOM 0 HD3 PRO A 88 -35.162 9.446 29.004 1.00 62.05 H new ATOM 1459 N GLU A 89 -40.013 9.181 31.482 1.00 42.21 N ATOM 1460 CA GLU A 89 -41.366 9.710 31.601 1.00 12.41 C ATOM 1461 C GLU A 89 -41.391 10.920 32.530 1.00 22.14 C ATOM 1462 O GLU A 89 -42.064 11.913 32.256 1.00 73.11 O ATOM 1463 CB GLU A 89 -42.314 8.630 32.123 1.00 52.44 C ATOM 1464 CG GLU A 89 -42.613 7.543 31.103 1.00 54.22 C ATOM 1465 CD GLU A 89 -43.560 6.488 31.637 1.00 4.33 C ATOM 1466 OE1 GLU A 89 -44.732 6.824 31.911 1.00 40.40 O ATOM 1467 OE2 GLU A 89 -43.130 5.324 31.784 1.00 31.15 O ATOM 0 H GLU A 89 -39.894 8.238 31.853 1.00 42.21 H new ATOM 0 HA GLU A 89 -41.698 10.025 30.612 1.00 12.41 H new ATOM 0 HB2 GLU A 89 -41.878 8.174 33.012 1.00 52.44 H new ATOM 0 HB3 GLU A 89 -43.250 9.097 32.430 1.00 52.44 H new ATOM 0 HG2 GLU A 89 -43.045 7.996 30.211 1.00 54.22 H new ATOM 0 HG3 GLU A 89 -41.680 7.068 30.799 1.00 54.22 H new ATOM 1474 N ASP A 90 -40.649 10.827 33.629 1.00 50.34 N ATOM 1475 CA ASP A 90 -40.581 11.913 34.598 1.00 5.33 C ATOM 1476 C ASP A 90 -39.134 12.344 34.819 1.00 42.23 C ATOM 1477 O ASP A 90 -38.202 11.630 34.451 1.00 5.20 O ATOM 1478 CB ASP A 90 -41.206 11.481 35.926 1.00 31.34 C ATOM 1479 CG ASP A 90 -42.704 11.714 35.961 1.00 74.42 C ATOM 1480 OD1 ASP A 90 -43.121 12.891 36.024 1.00 62.52 O ATOM 1481 OD2 ASP A 90 -43.460 10.721 35.926 1.00 45.10 O ATOM 0 H ASP A 90 -40.087 10.011 33.870 1.00 50.34 H new ATOM 0 HA ASP A 90 -41.142 12.760 34.203 1.00 5.33 H new ATOM 0 HB2 ASP A 90 -41.001 10.424 36.094 1.00 31.34 H new ATOM 0 HB3 ASP A 90 -40.736 12.030 36.742 1.00 31.34 H new ATOM 1486 N LYS A 91 -38.953 13.516 35.418 1.00 5.12 N ATOM 1487 CA LYS A 91 -37.616 14.037 35.681 1.00 32.13 C ATOM 1488 C LYS A 91 -37.608 14.929 36.919 1.00 14.42 C ATOM 1489 O LYS A 91 -37.970 16.103 36.853 1.00 12.31 O ATOM 1490 CB LYS A 91 -37.104 14.819 34.471 1.00 22.13 C ATOM 1491 CG LYS A 91 -35.602 14.714 34.271 1.00 11.13 C ATOM 1492 CD LYS A 91 -35.141 15.528 33.073 1.00 51.34 C ATOM 1493 CE LYS A 91 -33.751 16.105 33.292 1.00 0.22 C ATOM 1494 NZ LYS A 91 -33.750 17.170 34.332 1.00 35.33 N ATOM 0 H LYS A 91 -39.712 14.122 35.730 1.00 5.12 H new ATOM 0 HA LYS A 91 -36.955 13.190 35.865 1.00 32.13 H new ATOM 0 HB2 LYS A 91 -37.608 14.457 33.575 1.00 22.13 H new ATOM 0 HB3 LYS A 91 -37.374 15.869 34.586 1.00 22.13 H new ATOM 0 HG2 LYS A 91 -35.089 15.062 35.168 1.00 11.13 H new ATOM 0 HG3 LYS A 91 -35.325 13.669 34.131 1.00 11.13 H new ATOM 0 HD2 LYS A 91 -35.139 14.898 32.183 1.00 51.34 H new ATOM 0 HD3 LYS A 91 -35.847 16.338 32.889 1.00 51.34 H new ATOM 0 HE2 LYS A 91 -33.069 15.308 33.588 1.00 0.22 H new ATOM 0 HE3 LYS A 91 -33.375 16.513 32.354 1.00 0.22 H new ATOM 0 HZ1 LYS A 91 -32.928 17.792 34.192 1.00 35.33 H new ATOM 0 HZ2 LYS A 91 -34.624 17.729 34.257 1.00 35.33 H new ATOM 0 HZ3 LYS A 91 -33.697 16.734 35.275 1.00 35.33 H new ATOM 1508 N LYS A 92 -37.187 14.362 38.046 1.00 73.12 N ATOM 1509 CA LYS A 92 -37.126 15.106 39.298 1.00 22.12 C ATOM 1510 C LYS A 92 -35.799 15.850 39.418 1.00 70.24 C ATOM 1511 O LYS A 92 -35.751 17.075 39.311 1.00 31.04 O ATOM 1512 CB LYS A 92 -37.303 14.157 40.487 1.00 32.32 C ATOM 1513 CG LYS A 92 -38.411 14.577 41.442 1.00 74.24 C ATOM 1514 CD LYS A 92 -37.970 14.472 42.894 1.00 52.14 C ATOM 1515 CE LYS A 92 -38.964 13.673 43.723 1.00 22.32 C ATOM 1516 NZ LYS A 92 -39.992 14.547 44.355 1.00 40.43 N ATOM 0 H LYS A 92 -36.884 13.391 38.117 1.00 73.12 H new ATOM 0 HA LYS A 92 -37.935 15.836 39.302 1.00 22.12 H new ATOM 0 HB2 LYS A 92 -37.517 13.156 40.113 1.00 32.32 H new ATOM 0 HB3 LYS A 92 -36.364 14.098 41.037 1.00 32.32 H new ATOM 0 HG2 LYS A 92 -38.709 15.603 41.225 1.00 74.24 H new ATOM 0 HG3 LYS A 92 -39.288 13.949 41.281 1.00 74.24 H new ATOM 0 HD2 LYS A 92 -36.990 13.998 42.944 1.00 52.14 H new ATOM 0 HD3 LYS A 92 -37.863 15.471 43.316 1.00 52.14 H new ATOM 0 HE2 LYS A 92 -39.455 12.935 43.088 1.00 22.32 H new ATOM 0 HE3 LYS A 92 -38.430 13.122 44.498 1.00 22.32 H new ATOM 0 HZ1 LYS A 92 -40.650 13.964 44.911 1.00 40.43 H new ATOM 0 HZ2 LYS A 92 -39.526 15.235 44.981 1.00 40.43 H new ATOM 0 HZ3 LYS A 92 -40.519 15.054 43.615 1.00 40.43 H new TER 1530 LYS A 92