USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 649 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 54 HIS : no HD1:sc= -1.42 K(o=-1.4,f=-3!) USER MOD Set 1.2: A 69 TYR OH : rot 30:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -5.82! C(o=-5.8!,f=-15!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS :FLIP no HD1:sc= -0.0265 F(o=-1,f=-0.027) USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 46 SER OG : rot -38:sc= -0.779 USER MOD Single : A 53 GLN : amide:sc= -2.63 K(o=-2.6,f=-8.1!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.832 K(o=-0.83,f=-4.7!) USER MOD Single : A 63 GLN : amide:sc= -0.0804 X(o=-0.08,f=-0.43) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN :FLIP amide:sc= -0.528 F(o=-1.5,f=-0.53) USER MOD Single : A 70 ASN : amide:sc= -0.117 X(o=-0.12,f=-0.61) USER MOD Single : A 71 ASN : amide:sc=-0.00581 X(o=-0.0058,f=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 71:sc= 0.953 USER MOD Single : A 75 HIS : no HD1:sc= -0.0114 X(o=-0.011,f=0) USER MOD Single : A 76 THR OG1 : rot 72:sc= -0.992 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot -24:sc= -0.742 USER MOD Single : A 82 MET CE :methyl 168:sc= 0 (180deg=-0.268) USER MOD Single : A 85 MET CE :methyl -124:sc= -0.455 (180deg=-2.88!) USER MOD Single : A 86 GLN : amide:sc= -0.261 K(o=-0.26,f=-2.5!) USER MOD Single : A 87 HIS : no HD1:sc= -2.02 K(o=-2,f=-6!) USER MOD Single : A 103 HIS : no HD1:sc= -3.8! C(o=-3.8!,f=-5.2!) USER MOD Single : A 105 ASN : amide:sc= -6.88! C(o=-6.9!,f=-15!) USER MOD Single : A 109 MET CE :methyl -117:sc= -4.16 (180deg=-9.13!) USER MOD Single : A 111 SER OG : rot 66:sc= 0.00588 USER MOD Single : A 114 THR OG1 : rot -97:sc= 0.532 USER MOD Single : A 117 SER OG : rot 102:sc= -0.341 USER MOD Single : A 119 MET CE :methyl -118:sc= -1.94 (180deg=-5.33!) USER MOD Single : A 124 GLN : amide:sc= -0.0354 K(o=-0.035,f=-0.78) USER MOD Single : A 125 HIS : no HE2:sc= -0.104 K(o=-0.1,f=-1.1) USER MOD Single : A 127 MET CE :methyl -123:sc= -1.55 (180deg=-4.32!) USER MOD ----------------------------------------------------------------- ATOM 43 N THR A 32 -14.785 10.811 -7.283 1.00 0.00 N ATOM 44 CA THR A 32 -15.922 10.581 -6.397 1.00 0.00 C ATOM 45 C THR A 32 -15.498 9.840 -5.132 1.00 0.00 C ATOM 46 O THR A 32 -14.444 9.204 -5.096 1.00 0.00 O ATOM 47 CB THR A 32 -17.012 9.791 -7.127 1.00 0.00 C ATOM 48 OG1 THR A 32 -18.214 9.783 -6.377 1.00 0.00 O ATOM 49 CG2 THR A 32 -16.632 8.351 -7.400 1.00 0.00 C ATOM 0 HA THR A 32 -16.319 11.553 -6.104 1.00 0.00 H new ATOM 0 HB THR A 32 -17.144 10.301 -8.081 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.898 9.275 -6.861 1.00 0.00 H new ATOM 0 HG21 THR A 32 -17.450 7.851 -7.919 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.737 8.322 -8.021 1.00 0.00 H new ATOM 0 HG23 THR A 32 -16.436 7.841 -6.457 1.00 0.00 H new ATOM 57 N SER A 33 -16.329 9.925 -4.097 1.00 0.00 N ATOM 58 CA SER A 33 -16.045 9.262 -2.830 1.00 0.00 C ATOM 59 C SER A 33 -15.936 7.753 -3.018 1.00 0.00 C ATOM 60 O SER A 33 -15.209 7.078 -2.288 1.00 0.00 O ATOM 61 CB SER A 33 -17.137 9.582 -1.807 1.00 0.00 C ATOM 62 OG SER A 33 -17.407 10.972 -1.766 1.00 0.00 O ATOM 0 H SER A 33 -17.205 10.447 -4.112 1.00 0.00 H new ATOM 0 HA SER A 33 -15.089 9.634 -2.460 1.00 0.00 H new ATOM 0 HB2 SER A 33 -18.047 9.039 -2.061 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.826 9.240 -0.820 1.00 0.00 H new ATOM 0 HG SER A 33 -18.109 11.149 -1.106 1.00 0.00 H new ATOM 68 N SER A 34 -16.660 7.229 -4.002 1.00 0.00 N ATOM 69 CA SER A 34 -16.640 5.799 -4.287 1.00 0.00 C ATOM 70 C SER A 34 -15.279 5.378 -4.827 1.00 0.00 C ATOM 71 O SER A 34 -14.793 4.287 -4.533 1.00 0.00 O ATOM 72 CB SER A 34 -17.736 5.442 -5.292 1.00 0.00 C ATOM 73 OG SER A 34 -18.967 6.053 -4.945 1.00 0.00 O ATOM 0 H SER A 34 -17.267 7.773 -4.615 1.00 0.00 H new ATOM 0 HA SER A 34 -16.826 5.262 -3.357 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.436 5.762 -6.290 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.861 4.360 -5.329 1.00 0.00 H new ATOM 0 HG SER A 34 -19.650 5.810 -5.604 1.00 0.00 H new ATOM 79 N GLN A 35 -14.668 6.255 -5.616 1.00 0.00 N ATOM 80 CA GLN A 35 -13.360 5.978 -6.194 1.00 0.00 C ATOM 81 C GLN A 35 -12.262 6.173 -5.156 1.00 0.00 C ATOM 82 O GLN A 35 -11.255 5.464 -5.163 1.00 0.00 O ATOM 83 CB GLN A 35 -13.112 6.884 -7.397 1.00 0.00 C ATOM 84 CG GLN A 35 -12.221 6.262 -8.460 1.00 0.00 C ATOM 85 CD GLN A 35 -10.842 5.916 -7.937 1.00 0.00 C ATOM 86 OE1 GLN A 35 -10.545 4.754 -7.661 1.00 0.00 O ATOM 87 NE2 GLN A 35 -9.991 6.926 -7.798 1.00 0.00 N ATOM 0 H GLN A 35 -15.058 7.163 -5.869 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.343 4.939 -6.524 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.070 7.146 -7.847 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -12.657 7.813 -7.053 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -12.696 5.360 -8.844 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -12.125 6.953 -9.298 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -10.281 7.874 -8.039 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -9.048 6.754 -7.450 1.00 0.00 H new ATOM 96 N LEU A 36 -12.468 7.130 -4.254 1.00 0.00 N ATOM 97 CA LEU A 36 -11.497 7.403 -3.199 1.00 0.00 C ATOM 98 C LEU A 36 -11.170 6.118 -2.450 1.00 0.00 C ATOM 99 O LEU A 36 -10.004 5.779 -2.243 1.00 0.00 O ATOM 100 CB LEU A 36 -12.048 8.450 -2.226 1.00 0.00 C ATOM 101 CG LEU A 36 -11.639 9.894 -2.520 1.00 0.00 C ATOM 102 CD1 LEU A 36 -10.125 10.025 -2.558 1.00 0.00 C ATOM 103 CD2 LEU A 36 -12.251 10.365 -3.831 1.00 0.00 C ATOM 0 H LEU A 36 -13.295 7.727 -4.233 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.586 7.793 -3.653 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -13.136 8.390 -2.231 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -11.719 8.194 -1.219 1.00 0.00 H new ATOM 0 HG LEU A 36 -12.016 10.528 -1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.854 11.060 -2.769 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.710 9.730 -1.594 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.723 9.379 -3.339 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.949 11.394 -4.024 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -11.905 9.727 -4.644 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.338 10.312 -3.765 1.00 0.00 H new ATOM 115 N LEU A 37 -12.217 5.398 -2.064 1.00 0.00 N ATOM 116 CA LEU A 37 -12.060 4.138 -1.356 1.00 0.00 C ATOM 117 C LEU A 37 -11.763 3.008 -2.337 1.00 0.00 C ATOM 118 O LEU A 37 -11.208 1.976 -1.959 1.00 0.00 O ATOM 119 CB LEU A 37 -13.323 3.819 -0.552 1.00 0.00 C ATOM 120 CG LEU A 37 -14.573 3.548 -1.391 1.00 0.00 C ATOM 121 CD1 LEU A 37 -14.701 2.063 -1.694 1.00 0.00 C ATOM 122 CD2 LEU A 37 -15.815 4.057 -0.676 1.00 0.00 C ATOM 0 H LEU A 37 -13.186 5.669 -2.231 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.220 4.232 -0.668 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.127 2.947 0.073 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.528 4.653 0.119 1.00 0.00 H new ATOM 0 HG LEU A 37 -14.477 4.083 -2.336 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -15.596 1.889 -2.292 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.824 1.728 -2.248 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -14.775 1.506 -0.760 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -16.695 3.856 -1.287 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -15.916 3.550 0.283 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.726 5.131 -0.511 1.00 0.00 H new ATOM 134 N SER A 38 -12.130 3.209 -3.604 1.00 0.00 N ATOM 135 CA SER A 38 -11.894 2.204 -4.633 1.00 0.00 C ATOM 136 C SER A 38 -10.407 1.886 -4.747 1.00 0.00 C ATOM 137 O SER A 38 -10.016 0.724 -4.860 1.00 0.00 O ATOM 138 CB SER A 38 -12.431 2.687 -5.982 1.00 0.00 C ATOM 139 OG SER A 38 -12.343 1.667 -6.961 1.00 0.00 O ATOM 0 H SER A 38 -12.590 4.056 -3.938 1.00 0.00 H new ATOM 0 HA SER A 38 -12.422 1.294 -4.347 1.00 0.00 H new ATOM 0 HB2 SER A 38 -13.469 3.001 -5.872 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.867 3.560 -6.310 1.00 0.00 H new ATOM 0 HG SER A 38 -12.694 2.000 -7.813 1.00 0.00 H new ATOM 145 N VAL A 39 -9.581 2.927 -4.711 1.00 0.00 N ATOM 146 CA VAL A 39 -8.137 2.759 -4.804 1.00 0.00 C ATOM 147 C VAL A 39 -7.558 2.284 -3.477 1.00 0.00 C ATOM 148 O VAL A 39 -6.708 1.395 -3.443 1.00 0.00 O ATOM 149 CB VAL A 39 -7.440 4.068 -5.216 1.00 0.00 C ATOM 150 CG1 VAL A 39 -5.961 3.827 -5.481 1.00 0.00 C ATOM 151 CG2 VAL A 39 -8.115 4.670 -6.438 1.00 0.00 C ATOM 0 H VAL A 39 -9.888 3.895 -4.618 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.955 2.007 -5.571 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.527 4.778 -4.393 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.486 4.764 -5.771 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.487 3.444 -4.577 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.849 3.100 -6.285 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.609 5.595 -6.715 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.062 3.965 -7.268 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.159 4.883 -6.209 1.00 0.00 H new ATOM 161 N ARG A 40 -8.025 2.877 -2.383 1.00 0.00 N ATOM 162 CA ARG A 40 -7.550 2.504 -1.058 1.00 0.00 C ATOM 163 C ARG A 40 -7.868 1.036 -0.768 1.00 0.00 C ATOM 164 O ARG A 40 -7.193 0.392 0.034 1.00 0.00 O ATOM 165 CB ARG A 40 -8.166 3.427 0.009 1.00 0.00 C ATOM 166 CG ARG A 40 -8.675 2.712 1.254 1.00 0.00 C ATOM 167 CD ARG A 40 -10.036 2.077 1.016 1.00 0.00 C ATOM 168 NE ARG A 40 -10.928 2.250 2.159 1.00 0.00 N ATOM 169 CZ ARG A 40 -10.715 1.706 3.355 1.00 0.00 C ATOM 170 NH1 ARG A 40 -9.641 0.956 3.569 1.00 0.00 N ATOM 171 NH2 ARG A 40 -11.577 1.914 4.341 1.00 0.00 N ATOM 0 H ARG A 40 -8.729 3.615 -2.389 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.467 2.624 -1.026 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.419 4.162 0.309 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.992 3.978 -0.440 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.961 1.944 1.551 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.742 3.421 2.080 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.492 2.519 0.130 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.909 1.014 0.813 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.764 2.821 2.034 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -8.974 0.794 2.815 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.483 0.542 4.488 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.403 2.491 4.183 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.414 1.497 5.258 1.00 0.00 H new ATOM 185 N HIS A 41 -8.896 0.515 -1.430 1.00 0.00 N ATOM 186 CA HIS A 41 -9.297 -0.874 -1.245 1.00 0.00 C ATOM 187 C HIS A 41 -8.371 -1.813 -2.013 1.00 0.00 C ATOM 188 O HIS A 41 -8.091 -2.926 -1.568 1.00 0.00 O ATOM 189 CB HIS A 41 -10.743 -1.075 -1.705 1.00 0.00 C ATOM 190 CG HIS A 41 -11.739 -1.028 -0.587 1.00 0.00 C ATOM 191 ND1 HIS A 41 -12.304 0.023 0.054 1.00 0.00 N flip ATOM 192 CD2 HIS A 41 -12.268 -2.160 -0.003 1.00 0.00 C flip ATOM 193 CE1 HIS A 41 -13.154 -0.489 1.003 1.00 0.00 C flip ATOM 194 NE2 HIS A 41 -13.115 -1.807 0.948 1.00 0.00 N flip ATOM 0 H HIS A 41 -9.466 1.034 -2.099 1.00 0.00 H new ATOM 0 HA HIS A 41 -9.225 -1.109 -0.183 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -10.993 -0.306 -2.436 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -10.824 -2.036 -2.213 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -12.028 -3.176 -0.280 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -13.757 0.093 1.684 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -13.648 -2.445 1.539 1.00 0.00 H new ATOM 203 N GLN A 42 -7.899 -1.357 -3.170 1.00 0.00 N ATOM 204 CA GLN A 42 -7.006 -2.158 -4.000 1.00 0.00 C ATOM 205 C GLN A 42 -5.552 -2.003 -3.554 1.00 0.00 C ATOM 206 O GLN A 42 -4.737 -2.908 -3.737 1.00 0.00 O ATOM 207 CB GLN A 42 -7.157 -1.768 -5.476 1.00 0.00 C ATOM 208 CG GLN A 42 -6.369 -0.529 -5.879 1.00 0.00 C ATOM 209 CD GLN A 42 -5.163 -0.858 -6.738 1.00 0.00 C ATOM 210 OE1 GLN A 42 -4.156 -1.367 -6.247 1.00 0.00 O ATOM 211 NE2 GLN A 42 -5.261 -0.567 -8.031 1.00 0.00 N ATOM 0 H GLN A 42 -8.120 -0.438 -3.553 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.284 -3.205 -3.883 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.837 -2.606 -6.096 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.212 -1.599 -5.689 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.023 0.152 -6.423 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.039 -0.005 -4.982 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.115 -0.145 -8.396 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.482 -0.765 -8.659 1.00 0.00 H new ATOM 220 N LEU A 43 -5.234 -0.851 -2.971 1.00 0.00 N ATOM 221 CA LEU A 43 -3.879 -0.580 -2.505 1.00 0.00 C ATOM 222 C LEU A 43 -3.627 -1.235 -1.150 1.00 0.00 C ATOM 223 O LEU A 43 -2.677 -1.999 -0.987 1.00 0.00 O ATOM 224 CB LEU A 43 -3.643 0.934 -2.413 1.00 0.00 C ATOM 225 CG LEU A 43 -2.176 1.388 -2.409 1.00 0.00 C ATOM 226 CD1 LEU A 43 -1.637 1.435 -0.989 1.00 0.00 C ATOM 227 CD2 LEU A 43 -1.314 0.479 -3.276 1.00 0.00 C ATOM 0 H LEU A 43 -5.896 -0.091 -2.810 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.180 -1.005 -3.225 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.148 1.412 -3.252 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.119 1.301 -1.504 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.135 2.392 -2.832 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.596 1.759 -1.005 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.226 2.137 -0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.701 0.443 -0.542 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.281 0.826 -3.253 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.363 -0.541 -2.894 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.681 0.500 -4.302 1.00 0.00 H new ATOM 239 N ALA A 44 -4.485 -0.931 -0.181 1.00 0.00 N ATOM 240 CA ALA A 44 -4.356 -1.491 1.160 1.00 0.00 C ATOM 241 C ALA A 44 -4.357 -3.016 1.122 1.00 0.00 C ATOM 242 O ALA A 44 -3.483 -3.661 1.702 1.00 0.00 O ATOM 243 CB ALA A 44 -5.477 -0.985 2.054 1.00 0.00 C ATOM 0 H ALA A 44 -5.277 -0.300 -0.299 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.401 -1.164 1.571 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.368 -1.411 3.051 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.430 0.102 2.117 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.439 -1.283 1.636 1.00 0.00 H new ATOM 249 N GLU A 45 -5.342 -3.586 0.435 1.00 0.00 N ATOM 250 CA GLU A 45 -5.454 -5.036 0.321 1.00 0.00 C ATOM 251 C GLU A 45 -4.182 -5.633 -0.271 1.00 0.00 C ATOM 252 O GLU A 45 -3.673 -6.643 0.215 1.00 0.00 O ATOM 253 CB GLU A 45 -6.658 -5.408 -0.545 1.00 0.00 C ATOM 254 CG GLU A 45 -7.976 -5.408 0.214 1.00 0.00 C ATOM 255 CD GLU A 45 -8.781 -6.673 -0.013 1.00 0.00 C ATOM 256 OE1 GLU A 45 -8.166 -7.748 -0.168 1.00 0.00 O ATOM 257 OE2 GLU A 45 -10.027 -6.587 -0.034 1.00 0.00 O ATOM 0 H GLU A 45 -6.073 -3.067 -0.051 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.595 -5.446 1.321 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.727 -4.707 -1.377 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.495 -6.397 -0.974 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.777 -5.295 1.280 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.568 -4.546 -0.093 1.00 0.00 H new ATOM 264 N SER A 46 -3.670 -4.998 -1.320 1.00 0.00 N ATOM 265 CA SER A 46 -2.454 -5.463 -1.976 1.00 0.00 C ATOM 266 C SER A 46 -1.221 -5.117 -1.145 1.00 0.00 C ATOM 267 O SER A 46 -0.177 -5.756 -1.271 1.00 0.00 O ATOM 268 CB SER A 46 -2.333 -4.844 -3.370 1.00 0.00 C ATOM 269 OG SER A 46 -1.544 -5.656 -4.222 1.00 0.00 O ATOM 0 H SER A 46 -4.078 -4.160 -1.734 1.00 0.00 H new ATOM 0 HA SER A 46 -2.514 -6.547 -2.071 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.326 -4.716 -3.802 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.888 -3.852 -3.293 1.00 0.00 H new ATOM 0 HG SER A 46 -0.797 -6.035 -3.713 1.00 0.00 H new ATOM 275 N ALA A 47 -1.350 -4.103 -0.294 1.00 0.00 N ATOM 276 CA ALA A 47 -0.247 -3.674 0.558 1.00 0.00 C ATOM 277 C ALA A 47 0.046 -4.711 1.637 1.00 0.00 C ATOM 278 O ALA A 47 -0.176 -4.470 2.823 1.00 0.00 O ATOM 279 CB ALA A 47 -0.562 -2.325 1.188 1.00 0.00 C ATOM 0 H ALA A 47 -2.208 -3.564 -0.177 1.00 0.00 H new ATOM 0 HA ALA A 47 0.643 -3.573 -0.062 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.269 -2.016 1.822 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.715 -1.584 0.403 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.466 -2.407 1.791 1.00 0.00 H new ATOM 285 N GLY A 48 0.547 -5.868 1.216 1.00 0.00 N ATOM 286 CA GLY A 48 0.862 -6.926 2.157 1.00 0.00 C ATOM 287 C GLY A 48 1.233 -8.224 1.466 1.00 0.00 C ATOM 288 O GLY A 48 1.137 -8.333 0.243 1.00 0.00 O ATOM 0 H GLY A 48 0.740 -6.091 0.240 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.687 -6.608 2.794 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.005 -7.096 2.808 1.00 0.00 H new ATOM 292 N LEU A 49 1.659 -9.209 2.249 1.00 0.00 N ATOM 293 CA LEU A 49 2.045 -10.505 1.705 1.00 0.00 C ATOM 294 C LEU A 49 1.045 -11.586 2.113 1.00 0.00 C ATOM 295 O LEU A 49 0.320 -11.430 3.095 1.00 0.00 O ATOM 296 CB LEU A 49 3.450 -10.880 2.181 1.00 0.00 C ATOM 297 CG LEU A 49 4.543 -9.869 1.828 1.00 0.00 C ATOM 298 CD1 LEU A 49 5.907 -10.386 2.255 1.00 0.00 C ATOM 299 CD2 LEU A 49 4.530 -9.566 0.337 1.00 0.00 C ATOM 0 H LEU A 49 1.746 -9.134 3.263 1.00 0.00 H new ATOM 0 HA LEU A 49 2.046 -10.433 0.617 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.429 -11.007 3.263 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.717 -11.846 1.752 1.00 0.00 H new ATOM 0 HG LEU A 49 4.342 -8.944 2.368 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.671 -9.653 1.996 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.913 -10.550 3.333 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.116 -11.325 1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.314 -8.845 0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.705 -10.485 -0.223 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.562 -9.151 0.059 1.00 0.00 H new ATOM 311 N PRO A 50 0.987 -12.697 1.358 1.00 0.00 N ATOM 312 CA PRO A 50 0.063 -13.798 1.644 1.00 0.00 C ATOM 313 C PRO A 50 0.399 -14.519 2.950 1.00 0.00 C ATOM 314 O PRO A 50 -0.263 -14.310 3.966 1.00 0.00 O ATOM 315 CB PRO A 50 0.218 -14.741 0.438 1.00 0.00 C ATOM 316 CG PRO A 50 0.970 -13.960 -0.589 1.00 0.00 C ATOM 317 CD PRO A 50 1.804 -12.968 0.167 1.00 0.00 C ATOM 0 HA PRO A 50 -0.958 -13.440 1.778 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.758 -15.646 0.715 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.754 -15.054 0.058 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.597 -14.615 -1.194 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.286 -13.454 -1.271 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.780 -13.377 0.430 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.984 -12.064 -0.415 1.00 0.00 H new ATOM 325 N ARG A 51 1.425 -15.368 2.924 1.00 0.00 N ATOM 326 CA ARG A 51 1.826 -16.108 4.116 1.00 0.00 C ATOM 327 C ARG A 51 3.331 -16.371 4.127 1.00 0.00 C ATOM 328 O ARG A 51 4.081 -15.719 4.854 1.00 0.00 O ATOM 329 CB ARG A 51 1.058 -17.431 4.200 1.00 0.00 C ATOM 330 CG ARG A 51 0.302 -17.612 5.507 1.00 0.00 C ATOM 331 CD ARG A 51 0.896 -18.731 6.350 1.00 0.00 C ATOM 332 NE ARG A 51 0.010 -19.891 6.422 1.00 0.00 N ATOM 333 CZ ARG A 51 0.306 -21.010 7.079 1.00 0.00 C ATOM 334 NH1 ARG A 51 1.463 -21.126 7.719 1.00 0.00 N ATOM 335 NH2 ARG A 51 -0.558 -22.016 7.096 1.00 0.00 N ATOM 0 H ARG A 51 1.989 -15.559 2.096 1.00 0.00 H new ATOM 0 HA ARG A 51 1.585 -15.498 4.987 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.353 -17.486 3.371 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.759 -18.257 4.077 1.00 0.00 H new ATOM 0 HG2 ARG A 51 0.323 -16.680 6.072 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.744 -17.832 5.295 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.855 -19.033 5.928 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.092 -18.362 7.357 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.888 -19.840 5.941 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.131 -20.355 7.709 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.684 -21.986 8.221 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.449 -21.932 6.606 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.332 -22.874 7.599 1.00 0.00 H new ATOM 349 N ASP A 52 3.762 -17.339 3.323 1.00 0.00 N ATOM 350 CA ASP A 52 5.173 -17.702 3.242 1.00 0.00 C ATOM 351 C ASP A 52 6.031 -16.506 2.845 1.00 0.00 C ATOM 352 O ASP A 52 7.125 -16.311 3.376 1.00 0.00 O ATOM 353 CB ASP A 52 5.369 -18.838 2.237 1.00 0.00 C ATOM 354 CG ASP A 52 5.267 -20.206 2.884 1.00 0.00 C ATOM 355 OD1 ASP A 52 4.336 -20.413 3.690 1.00 0.00 O ATOM 356 OD2 ASP A 52 6.117 -21.070 2.583 1.00 0.00 O ATOM 0 H ASP A 52 3.152 -17.887 2.717 1.00 0.00 H new ATOM 0 HA ASP A 52 5.489 -18.035 4.230 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.621 -18.755 1.449 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.345 -18.735 1.762 1.00 0.00 H new ATOM 361 N GLN A 53 5.533 -15.711 1.904 1.00 0.00 N ATOM 362 CA GLN A 53 6.259 -14.536 1.433 1.00 0.00 C ATOM 363 C GLN A 53 6.659 -13.630 2.596 1.00 0.00 C ATOM 364 O GLN A 53 7.653 -12.908 2.518 1.00 0.00 O ATOM 365 CB GLN A 53 5.409 -13.759 0.425 1.00 0.00 C ATOM 366 CG GLN A 53 6.107 -13.526 -0.905 1.00 0.00 C ATOM 367 CD GLN A 53 5.597 -12.291 -1.622 1.00 0.00 C ATOM 368 OE1 GLN A 53 6.335 -11.326 -1.821 1.00 0.00 O ATOM 369 NE2 GLN A 53 4.328 -12.315 -2.013 1.00 0.00 N ATOM 0 H GLN A 53 4.630 -15.858 1.452 1.00 0.00 H new ATOM 0 HA GLN A 53 7.171 -14.877 0.943 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.481 -14.303 0.249 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.137 -12.796 0.857 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.179 -13.427 -0.736 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.964 -14.398 -1.544 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.752 -13.136 -1.827 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.929 -11.512 -2.499 1.00 0.00 H new ATOM 378 N HIS A 54 5.882 -13.673 3.675 1.00 0.00 N ATOM 379 CA HIS A 54 6.164 -12.855 4.849 1.00 0.00 C ATOM 380 C HIS A 54 7.141 -13.560 5.785 1.00 0.00 C ATOM 381 O HIS A 54 8.040 -12.935 6.347 1.00 0.00 O ATOM 382 CB HIS A 54 4.871 -12.527 5.601 1.00 0.00 C ATOM 383 CG HIS A 54 5.094 -11.720 6.843 1.00 0.00 C ATOM 384 ND1 HIS A 54 5.820 -12.184 7.921 1.00 0.00 N ATOM 385 CD2 HIS A 54 4.698 -10.467 7.171 1.00 0.00 C ATOM 386 CE1 HIS A 54 5.863 -11.253 8.855 1.00 0.00 C ATOM 387 NE2 HIS A 54 5.190 -10.201 8.426 1.00 0.00 N ATOM 0 H HIS A 54 5.055 -14.264 3.760 1.00 0.00 H new ATOM 0 HA HIS A 54 6.620 -11.927 4.505 1.00 0.00 H new ATOM 0 HB2 HIS A 54 4.202 -11.980 4.937 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.368 -13.457 5.866 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.106 -9.801 6.560 1.00 0.00 H new ATOM 0 HE1 HIS A 54 6.364 -11.337 9.808 1.00 0.00 H new ATOM 0 HE2 HIS A 54 5.057 -9.332 8.943 1.00 0.00 H new ATOM 396 N GLU A 55 6.954 -14.864 5.954 1.00 0.00 N ATOM 397 CA GLU A 55 7.815 -15.652 6.829 1.00 0.00 C ATOM 398 C GLU A 55 9.266 -15.635 6.348 1.00 0.00 C ATOM 399 O GLU A 55 10.178 -15.980 7.099 1.00 0.00 O ATOM 400 CB GLU A 55 7.306 -17.094 6.909 1.00 0.00 C ATOM 401 CG GLU A 55 6.719 -17.457 8.263 1.00 0.00 C ATOM 402 CD GLU A 55 7.713 -18.174 9.156 1.00 0.00 C ATOM 403 OE1 GLU A 55 8.918 -17.851 9.082 1.00 0.00 O ATOM 404 OE2 GLU A 55 7.287 -19.058 9.928 1.00 0.00 O ATOM 0 H GLU A 55 6.215 -15.398 5.497 1.00 0.00 H new ATOM 0 HA GLU A 55 7.784 -15.203 7.822 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.548 -17.246 6.141 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.128 -17.774 6.684 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.377 -16.550 8.761 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.844 -18.090 8.118 1.00 0.00 H new ATOM 411 N PHE A 56 9.476 -15.240 5.095 1.00 0.00 N ATOM 412 CA PHE A 56 10.819 -15.193 4.529 1.00 0.00 C ATOM 413 C PHE A 56 11.399 -13.779 4.581 1.00 0.00 C ATOM 414 O PHE A 56 12.602 -13.604 4.756 1.00 0.00 O ATOM 415 CB PHE A 56 10.799 -15.709 3.082 1.00 0.00 C ATOM 416 CG PHE A 56 11.746 -14.986 2.161 1.00 0.00 C ATOM 417 CD1 PHE A 56 13.107 -14.974 2.417 1.00 0.00 C ATOM 418 CD2 PHE A 56 11.271 -14.311 1.047 1.00 0.00 C ATOM 419 CE1 PHE A 56 13.978 -14.305 1.580 1.00 0.00 C ATOM 420 CE2 PHE A 56 12.138 -13.638 0.208 1.00 0.00 C ATOM 421 CZ PHE A 56 13.493 -13.636 0.474 1.00 0.00 C ATOM 0 H PHE A 56 8.736 -14.949 4.456 1.00 0.00 H new ATOM 0 HA PHE A 56 11.461 -15.837 5.130 1.00 0.00 H new ATOM 0 HB2 PHE A 56 11.048 -16.770 3.082 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.786 -15.619 2.689 1.00 0.00 H new ATOM 0 HD1 PHE A 56 13.492 -15.494 3.282 1.00 0.00 H new ATOM 0 HD2 PHE A 56 10.212 -14.311 0.833 1.00 0.00 H new ATOM 0 HE1 PHE A 56 15.037 -14.305 1.790 1.00 0.00 H new ATOM 0 HE2 PHE A 56 11.756 -13.114 -0.656 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.172 -13.112 -0.182 1.00 0.00 H new ATOM 431 N VAL A 57 10.546 -12.776 4.404 1.00 0.00 N ATOM 432 CA VAL A 57 10.996 -11.386 4.410 1.00 0.00 C ATOM 433 C VAL A 57 11.217 -10.849 5.824 1.00 0.00 C ATOM 434 O VAL A 57 11.758 -9.758 5.995 1.00 0.00 O ATOM 435 CB VAL A 57 9.994 -10.471 3.679 1.00 0.00 C ATOM 436 CG1 VAL A 57 8.658 -10.451 4.404 1.00 0.00 C ATOM 437 CG2 VAL A 57 10.555 -9.062 3.540 1.00 0.00 C ATOM 0 H VAL A 57 9.544 -12.897 4.255 1.00 0.00 H new ATOM 0 HA VAL A 57 11.951 -11.378 3.885 1.00 0.00 H new ATOM 0 HB VAL A 57 9.832 -10.872 2.679 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.965 -9.799 3.872 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.250 -11.461 4.442 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.800 -10.078 5.418 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.832 -8.432 3.021 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.752 -8.649 4.530 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.483 -9.095 2.969 1.00 0.00 H new ATOM 447 N SER A 58 10.792 -11.602 6.835 1.00 0.00 N ATOM 448 CA SER A 58 10.950 -11.162 8.218 1.00 0.00 C ATOM 449 C SER A 58 11.732 -12.176 9.049 1.00 0.00 C ATOM 450 O SER A 58 12.576 -11.803 9.864 1.00 0.00 O ATOM 451 CB SER A 58 9.580 -10.920 8.854 1.00 0.00 C ATOM 452 OG SER A 58 9.642 -9.890 9.824 1.00 0.00 O ATOM 0 H SER A 58 10.340 -12.510 6.725 1.00 0.00 H new ATOM 0 HA SER A 58 11.517 -10.231 8.203 1.00 0.00 H new ATOM 0 HB2 SER A 58 8.859 -10.653 8.081 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.224 -11.840 9.318 1.00 0.00 H new ATOM 0 HG SER A 58 8.753 -9.754 10.214 1.00 0.00 H new ATOM 458 N SER A 59 11.435 -13.456 8.856 1.00 0.00 N ATOM 459 CA SER A 59 12.101 -14.515 9.607 1.00 0.00 C ATOM 460 C SER A 59 13.404 -14.966 8.945 1.00 0.00 C ATOM 461 O SER A 59 14.168 -15.729 9.536 1.00 0.00 O ATOM 462 CB SER A 59 11.165 -15.714 9.771 1.00 0.00 C ATOM 463 OG SER A 59 11.401 -16.382 10.999 1.00 0.00 O ATOM 0 H SER A 59 10.739 -13.786 8.187 1.00 0.00 H new ATOM 0 HA SER A 59 12.353 -14.104 10.585 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.129 -15.379 9.729 1.00 0.00 H new ATOM 0 HB3 SER A 59 11.309 -16.408 8.943 1.00 0.00 H new ATOM 0 HG SER A 59 10.789 -17.143 11.080 1.00 0.00 H new ATOM 469 N GLN A 60 13.656 -14.511 7.720 1.00 0.00 N ATOM 470 CA GLN A 60 14.870 -14.903 7.008 1.00 0.00 C ATOM 471 C GLN A 60 15.603 -13.697 6.424 1.00 0.00 C ATOM 472 O GLN A 60 16.757 -13.437 6.764 1.00 0.00 O ATOM 473 CB GLN A 60 14.528 -15.891 5.893 1.00 0.00 C ATOM 474 CG GLN A 60 13.917 -17.189 6.395 1.00 0.00 C ATOM 475 CD GLN A 60 14.917 -18.056 7.135 1.00 0.00 C ATOM 476 OE1 GLN A 60 15.981 -17.589 7.540 1.00 0.00 O ATOM 477 NE2 GLN A 60 14.579 -19.328 7.313 1.00 0.00 N ATOM 0 H GLN A 60 13.044 -13.878 7.205 1.00 0.00 H new ATOM 0 HA GLN A 60 15.534 -15.379 7.730 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.833 -15.417 5.200 1.00 0.00 H new ATOM 0 HB3 GLN A 60 15.434 -16.119 5.331 1.00 0.00 H new ATOM 0 HG2 GLN A 60 13.080 -16.961 7.056 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.513 -17.747 5.550 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.686 -19.673 6.960 1.00 0.00 H new ATOM 0 HE22 GLN A 60 15.212 -19.960 7.802 1.00 0.00 H new ATOM 486 N ALA A 61 14.932 -12.976 5.531 1.00 0.00 N ATOM 487 CA ALA A 61 15.518 -11.806 4.879 1.00 0.00 C ATOM 488 C ALA A 61 16.265 -10.913 5.871 1.00 0.00 C ATOM 489 O ALA A 61 15.913 -10.847 7.049 1.00 0.00 O ATOM 490 CB ALA A 61 14.439 -11.012 4.158 1.00 0.00 C ATOM 0 H ALA A 61 13.976 -13.182 5.240 1.00 0.00 H new ATOM 0 HA ALA A 61 16.247 -12.164 4.152 1.00 0.00 H new ATOM 0 HB1 ALA A 61 14.887 -10.143 3.676 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.967 -11.642 3.404 1.00 0.00 H new ATOM 0 HB3 ALA A 61 13.689 -10.682 4.877 1.00 0.00 H new ATOM 496 N PRO A 62 17.313 -10.214 5.399 1.00 0.00 N ATOM 497 CA PRO A 62 18.119 -9.324 6.238 1.00 0.00 C ATOM 498 C PRO A 62 17.417 -8.002 6.528 1.00 0.00 C ATOM 499 O PRO A 62 16.492 -7.610 5.817 1.00 0.00 O ATOM 500 CB PRO A 62 19.370 -9.089 5.394 1.00 0.00 C ATOM 501 CG PRO A 62 18.898 -9.214 3.987 1.00 0.00 C ATOM 502 CD PRO A 62 17.798 -10.243 4.004 1.00 0.00 C ATOM 0 HA PRO A 62 18.320 -9.757 7.218 1.00 0.00 H new ATOM 0 HB2 PRO A 62 19.798 -8.104 5.583 1.00 0.00 H new ATOM 0 HB3 PRO A 62 20.145 -9.822 5.620 1.00 0.00 H new ATOM 0 HG2 PRO A 62 18.531 -8.258 3.613 1.00 0.00 H new ATOM 0 HG3 PRO A 62 19.711 -9.523 3.330 1.00 0.00 H new ATOM 0 HD2 PRO A 62 17.005 -9.993 3.299 1.00 0.00 H new ATOM 0 HD3 PRO A 62 18.169 -11.230 3.729 1.00 0.00 H new ATOM 510 N GLN A 63 17.865 -7.317 7.578 1.00 0.00 N ATOM 511 CA GLN A 63 17.282 -6.036 7.966 1.00 0.00 C ATOM 512 C GLN A 63 17.150 -5.104 6.763 1.00 0.00 C ATOM 513 O GLN A 63 16.243 -4.273 6.707 1.00 0.00 O ATOM 514 CB GLN A 63 18.133 -5.371 9.050 1.00 0.00 C ATOM 515 CG GLN A 63 19.547 -5.043 8.600 1.00 0.00 C ATOM 516 CD GLN A 63 20.590 -5.927 9.256 1.00 0.00 C ATOM 517 OE1 GLN A 63 20.528 -6.193 10.457 1.00 0.00 O ATOM 518 NE2 GLN A 63 21.556 -6.387 8.469 1.00 0.00 N ATOM 0 H GLN A 63 18.631 -7.629 8.175 1.00 0.00 H new ATOM 0 HA GLN A 63 16.285 -6.228 8.362 1.00 0.00 H new ATOM 0 HB2 GLN A 63 17.642 -4.453 9.373 1.00 0.00 H new ATOM 0 HB3 GLN A 63 18.181 -6.030 9.917 1.00 0.00 H new ATOM 0 HG2 GLN A 63 19.614 -5.151 7.517 1.00 0.00 H new ATOM 0 HG3 GLN A 63 19.764 -4.000 8.830 1.00 0.00 H new ATOM 0 HE21 GLN A 63 21.568 -6.141 7.479 1.00 0.00 H new ATOM 0 HE22 GLN A 63 22.286 -6.986 8.854 1.00 0.00 H new ATOM 527 N SER A 64 18.056 -5.251 5.802 1.00 0.00 N ATOM 528 CA SER A 64 18.033 -4.425 4.600 1.00 0.00 C ATOM 529 C SER A 64 16.731 -4.633 3.835 1.00 0.00 C ATOM 530 O SER A 64 16.097 -3.675 3.393 1.00 0.00 O ATOM 531 CB SER A 64 19.227 -4.757 3.703 1.00 0.00 C ATOM 532 OG SER A 64 20.318 -3.893 3.965 1.00 0.00 O ATOM 0 H SER A 64 18.814 -5.933 5.832 1.00 0.00 H new ATOM 0 HA SER A 64 18.099 -3.379 4.900 1.00 0.00 H new ATOM 0 HB2 SER A 64 19.531 -5.791 3.865 1.00 0.00 H new ATOM 0 HB3 SER A 64 18.934 -4.671 2.657 1.00 0.00 H new ATOM 0 HG SER A 64 21.069 -4.127 3.380 1.00 0.00 H new ATOM 538 N LEU A 65 16.336 -5.893 3.691 1.00 0.00 N ATOM 539 CA LEU A 65 15.107 -6.235 2.987 1.00 0.00 C ATOM 540 C LEU A 65 13.889 -5.820 3.806 1.00 0.00 C ATOM 541 O LEU A 65 12.859 -5.431 3.255 1.00 0.00 O ATOM 542 CB LEU A 65 15.063 -7.740 2.704 1.00 0.00 C ATOM 543 CG LEU A 65 14.463 -8.135 1.353 1.00 0.00 C ATOM 544 CD1 LEU A 65 12.960 -7.910 1.350 1.00 0.00 C ATOM 545 CD2 LEU A 65 15.123 -7.358 0.224 1.00 0.00 C ATOM 0 H LEU A 65 16.851 -6.696 4.053 1.00 0.00 H new ATOM 0 HA LEU A 65 15.089 -5.696 2.040 1.00 0.00 H new ATOM 0 HB2 LEU A 65 16.078 -8.133 2.761 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.489 -8.225 3.493 1.00 0.00 H new ATOM 0 HG LEU A 65 14.652 -9.196 1.192 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.551 -8.196 0.381 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.500 -8.515 2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.749 -6.857 1.536 1.00 0.00 H new ATOM 0 HD21 LEU A 65 14.682 -7.654 -0.728 1.00 0.00 H new ATOM 0 HD22 LEU A 65 14.969 -6.290 0.379 1.00 0.00 H new ATOM 0 HD23 LEU A 65 16.192 -7.572 0.211 1.00 0.00 H new ATOM 557 N ARG A 66 14.017 -5.902 5.126 1.00 0.00 N ATOM 558 CA ARG A 66 12.931 -5.533 6.026 1.00 0.00 C ATOM 559 C ARG A 66 12.784 -4.017 6.103 1.00 0.00 C ATOM 560 O ARG A 66 11.680 -3.497 6.263 1.00 0.00 O ATOM 561 CB ARG A 66 13.182 -6.103 7.423 1.00 0.00 C ATOM 562 CG ARG A 66 13.401 -7.607 7.435 1.00 0.00 C ATOM 563 CD ARG A 66 14.007 -8.071 8.749 1.00 0.00 C ATOM 564 NE ARG A 66 14.322 -9.497 8.734 1.00 0.00 N ATOM 565 CZ ARG A 66 14.893 -10.141 9.750 1.00 0.00 C ATOM 566 NH1 ARG A 66 15.214 -9.489 10.861 1.00 0.00 N ATOM 567 NH2 ARG A 66 15.144 -11.439 9.655 1.00 0.00 N ATOM 0 H ARG A 66 14.864 -6.221 5.597 1.00 0.00 H new ATOM 0 HA ARG A 66 12.006 -5.952 5.631 1.00 0.00 H new ATOM 0 HB2 ARG A 66 14.055 -5.613 7.855 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.333 -5.863 8.063 1.00 0.00 H new ATOM 0 HG2 ARG A 66 12.451 -8.115 7.272 1.00 0.00 H new ATOM 0 HG3 ARG A 66 14.058 -7.887 6.611 1.00 0.00 H new ATOM 0 HD2 ARG A 66 14.914 -7.502 8.951 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.312 -7.862 9.562 1.00 0.00 H new ATOM 0 HE ARG A 66 14.091 -10.031 7.896 1.00 0.00 H new ATOM 0 HH11 ARG A 66 15.023 -8.490 10.939 1.00 0.00 H new ATOM 0 HH12 ARG A 66 15.651 -9.987 11.636 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.900 -11.945 8.804 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.581 -11.932 10.433 1.00 0.00 H new ATOM 581 N ASN A 67 13.907 -3.314 5.989 1.00 0.00 N ATOM 582 CA ASN A 67 13.907 -1.857 6.047 1.00 0.00 C ATOM 583 C ASN A 67 13.021 -1.268 4.954 1.00 0.00 C ATOM 584 O ASN A 67 12.221 -0.368 5.208 1.00 0.00 O ATOM 585 CB ASN A 67 15.333 -1.321 5.908 1.00 0.00 C ATOM 586 CG ASN A 67 16.060 -1.261 7.237 1.00 0.00 C ATOM 587 OD1 ASN A 67 17.200 -1.938 7.319 1.00 0.00 O flip ATOM 588 ND2 ASN A 67 15.603 -0.614 8.179 1.00 0.00 N flip ATOM 0 H ASN A 67 14.829 -3.730 5.856 1.00 0.00 H new ATOM 0 HA ASN A 67 13.506 -1.557 7.015 1.00 0.00 H new ATOM 0 HB2 ASN A 67 15.891 -1.956 5.220 1.00 0.00 H new ATOM 0 HB3 ASN A 67 15.302 -0.324 5.468 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.724 -0.109 8.072 1.00 0.00 H new ATOM 0 HD22 ASN A 67 16.104 -0.583 9.067 1.00 0.00 H new ATOM 595 N ARG A 68 13.167 -1.783 3.737 1.00 0.00 N ATOM 596 CA ARG A 68 12.378 -1.307 2.607 1.00 0.00 C ATOM 597 C ARG A 68 10.934 -1.792 2.709 1.00 0.00 C ATOM 598 O ARG A 68 10.005 -1.098 2.294 1.00 0.00 O ATOM 599 CB ARG A 68 12.997 -1.778 1.288 1.00 0.00 C ATOM 600 CG ARG A 68 12.910 -3.281 1.073 1.00 0.00 C ATOM 601 CD ARG A 68 13.245 -3.658 -0.361 1.00 0.00 C ATOM 602 NE ARG A 68 12.797 -5.008 -0.692 1.00 0.00 N ATOM 603 CZ ARG A 68 12.676 -5.466 -1.936 1.00 0.00 C ATOM 604 NH1 ARG A 68 12.968 -4.685 -2.969 1.00 0.00 N ATOM 605 NH2 ARG A 68 12.263 -6.708 -2.148 1.00 0.00 N ATOM 0 H ARG A 68 13.824 -2.529 3.509 1.00 0.00 H new ATOM 0 HA ARG A 68 12.379 -0.217 2.629 1.00 0.00 H new ATOM 0 HB2 ARG A 68 12.497 -1.272 0.462 1.00 0.00 H new ATOM 0 HB3 ARG A 68 14.044 -1.476 1.260 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.595 -3.787 1.753 1.00 0.00 H new ATOM 0 HG3 ARG A 68 11.905 -3.627 1.316 1.00 0.00 H new ATOM 0 HD2 ARG A 68 12.779 -2.945 -1.041 1.00 0.00 H new ATOM 0 HD3 ARG A 68 14.322 -3.586 -0.512 1.00 0.00 H new ATOM 0 HE ARG A 68 12.563 -5.637 0.076 1.00 0.00 H new ATOM 0 HH11 ARG A 68 13.287 -3.729 -2.811 1.00 0.00 H new ATOM 0 HH12 ARG A 68 12.874 -5.041 -3.920 1.00 0.00 H new ATOM 0 HH21 ARG A 68 12.038 -7.313 -1.358 1.00 0.00 H new ATOM 0 HH22 ARG A 68 12.170 -7.059 -3.101 1.00 0.00 H new ATOM 619 N TYR A 69 10.756 -2.987 3.262 1.00 0.00 N ATOM 620 CA TYR A 69 9.427 -3.567 3.420 1.00 0.00 C ATOM 621 C TYR A 69 8.541 -2.673 4.283 1.00 0.00 C ATOM 622 O TYR A 69 7.452 -2.277 3.869 1.00 0.00 O ATOM 623 CB TYR A 69 9.531 -4.962 4.043 1.00 0.00 C ATOM 624 CG TYR A 69 8.192 -5.620 4.294 1.00 0.00 C ATOM 625 CD1 TYR A 69 7.386 -5.217 5.351 1.00 0.00 C ATOM 626 CD2 TYR A 69 7.734 -6.644 3.474 1.00 0.00 C ATOM 627 CE1 TYR A 69 6.162 -5.816 5.584 1.00 0.00 C ATOM 628 CE2 TYR A 69 6.512 -7.247 3.700 1.00 0.00 C ATOM 629 CZ TYR A 69 5.730 -6.830 4.756 1.00 0.00 C ATOM 630 OH TYR A 69 4.512 -7.428 4.985 1.00 0.00 O ATOM 0 H TYR A 69 11.516 -3.573 3.608 1.00 0.00 H new ATOM 0 HA TYR A 69 8.972 -3.650 2.433 1.00 0.00 H new ATOM 0 HB2 TYR A 69 10.121 -5.600 3.386 1.00 0.00 H new ATOM 0 HB3 TYR A 69 10.072 -4.889 4.986 1.00 0.00 H new ATOM 0 HD1 TYR A 69 7.721 -4.423 6.002 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.344 -6.974 2.646 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.547 -5.491 6.411 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.171 -8.041 3.053 1.00 0.00 H new ATOM 0 HH TYR A 69 3.902 -6.781 5.396 1.00 0.00 H new ATOM 640 N ASN A 70 9.014 -2.363 5.485 1.00 0.00 N ATOM 641 CA ASN A 70 8.263 -1.519 6.408 1.00 0.00 C ATOM 642 C ASN A 70 8.214 -0.076 5.914 1.00 0.00 C ATOM 643 O ASN A 70 7.257 0.650 6.183 1.00 0.00 O ATOM 644 CB ASN A 70 8.888 -1.574 7.804 1.00 0.00 C ATOM 645 CG ASN A 70 7.868 -1.888 8.881 1.00 0.00 C ATOM 646 OD1 ASN A 70 6.695 -1.535 8.764 1.00 0.00 O ATOM 647 ND2 ASN A 70 8.312 -2.556 9.939 1.00 0.00 N ATOM 0 H ASN A 70 9.914 -2.683 5.843 1.00 0.00 H new ATOM 0 HA ASN A 70 7.242 -1.898 6.459 1.00 0.00 H new ATOM 0 HB2 ASN A 70 9.673 -2.331 7.818 1.00 0.00 H new ATOM 0 HB3 ASN A 70 9.363 -0.618 8.025 1.00 0.00 H new ATOM 0 HD21 ASN A 70 7.672 -2.796 10.696 1.00 0.00 H new ATOM 0 HD22 ASN A 70 9.293 -2.829 9.995 1.00 0.00 H new ATOM 654 N ASN A 71 9.253 0.335 5.194 1.00 0.00 N ATOM 655 CA ASN A 71 9.327 1.693 4.666 1.00 0.00 C ATOM 656 C ASN A 71 8.227 1.942 3.639 1.00 0.00 C ATOM 657 O ASN A 71 7.419 2.858 3.791 1.00 0.00 O ATOM 658 CB ASN A 71 10.697 1.941 4.033 1.00 0.00 C ATOM 659 CG ASN A 71 10.889 3.387 3.619 1.00 0.00 C ATOM 660 OD1 ASN A 71 11.080 3.687 2.441 1.00 0.00 O ATOM 661 ND2 ASN A 71 10.841 4.291 4.590 1.00 0.00 N ATOM 0 H ASN A 71 10.055 -0.252 4.963 1.00 0.00 H new ATOM 0 HA ASN A 71 9.185 2.386 5.496 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.477 1.662 4.741 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.813 1.298 3.161 1.00 0.00 H new ATOM 0 HD21 ASN A 71 10.965 5.280 4.373 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.680 3.997 5.553 1.00 0.00 H new ATOM 668 N LEU A 72 8.205 1.124 2.592 1.00 0.00 N ATOM 669 CA LEU A 72 7.206 1.260 1.538 1.00 0.00 C ATOM 670 C LEU A 72 5.794 1.119 2.097 1.00 0.00 C ATOM 671 O LEU A 72 4.852 1.728 1.590 1.00 0.00 O ATOM 672 CB LEU A 72 7.441 0.214 0.444 1.00 0.00 C ATOM 673 CG LEU A 72 7.346 -1.243 0.906 1.00 0.00 C ATOM 674 CD1 LEU A 72 5.891 -1.665 1.058 1.00 0.00 C ATOM 675 CD2 LEU A 72 8.067 -2.157 -0.073 1.00 0.00 C ATOM 0 H LEU A 72 8.867 0.361 2.451 1.00 0.00 H new ATOM 0 HA LEU A 72 7.306 2.257 1.108 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.714 0.374 -0.352 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.428 0.378 0.012 1.00 0.00 H new ATOM 0 HG LEU A 72 7.829 -1.327 1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.846 -2.703 1.387 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.403 -1.029 1.796 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.381 -1.565 0.100 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.991 -3.189 0.269 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.611 -2.067 -1.059 1.00 0.00 H new ATOM 0 HD23 LEU A 72 9.117 -1.871 -0.132 1.00 0.00 H new ATOM 687 N TYR A 73 5.653 0.309 3.142 1.00 0.00 N ATOM 688 CA TYR A 73 4.352 0.089 3.763 1.00 0.00 C ATOM 689 C TYR A 73 3.980 1.245 4.685 1.00 0.00 C ATOM 690 O TYR A 73 2.802 1.558 4.857 1.00 0.00 O ATOM 691 CB TYR A 73 4.347 -1.226 4.544 1.00 0.00 C ATOM 692 CG TYR A 73 2.959 -1.714 4.902 1.00 0.00 C ATOM 693 CD1 TYR A 73 1.904 -1.590 4.006 1.00 0.00 C ATOM 694 CD2 TYR A 73 2.705 -2.296 6.137 1.00 0.00 C ATOM 695 CE1 TYR A 73 0.636 -2.032 4.330 1.00 0.00 C ATOM 696 CE2 TYR A 73 1.440 -2.742 6.469 1.00 0.00 C ATOM 697 CZ TYR A 73 0.409 -2.608 5.563 1.00 0.00 C ATOM 698 OH TYR A 73 -0.852 -3.050 5.890 1.00 0.00 O ATOM 0 H TYR A 73 6.421 -0.204 3.575 1.00 0.00 H new ATOM 0 HA TYR A 73 3.608 0.032 2.968 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.851 -1.991 3.954 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.925 -1.097 5.459 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.078 -1.140 3.040 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.509 -2.402 6.850 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.173 -1.927 3.622 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.260 -3.193 7.433 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.841 -3.430 6.793 1.00 0.00 H new ATOM 708 N SER A 74 4.989 1.880 5.274 1.00 0.00 N ATOM 709 CA SER A 74 4.758 3.005 6.175 1.00 0.00 C ATOM 710 C SER A 74 3.920 4.079 5.488 1.00 0.00 C ATOM 711 O SER A 74 2.877 4.491 5.997 1.00 0.00 O ATOM 712 CB SER A 74 6.089 3.598 6.641 1.00 0.00 C ATOM 713 OG SER A 74 6.618 2.868 7.735 1.00 0.00 O ATOM 0 H SER A 74 5.971 1.636 5.145 1.00 0.00 H new ATOM 0 HA SER A 74 4.212 2.639 7.045 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.802 3.591 5.817 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.945 4.639 6.930 1.00 0.00 H new ATOM 0 HG SER A 74 6.928 1.992 7.424 1.00 0.00 H new ATOM 719 N HIS A 75 4.380 4.521 4.322 1.00 0.00 N ATOM 720 CA HIS A 75 3.669 5.538 3.560 1.00 0.00 C ATOM 721 C HIS A 75 2.306 5.017 3.119 1.00 0.00 C ATOM 722 O HIS A 75 1.322 5.755 3.107 1.00 0.00 O ATOM 723 CB HIS A 75 4.488 5.959 2.338 1.00 0.00 C ATOM 724 CG HIS A 75 5.668 6.816 2.674 1.00 0.00 C ATOM 725 ND1 HIS A 75 6.506 7.352 1.719 1.00 0.00 N ATOM 726 CD2 HIS A 75 6.150 7.232 3.870 1.00 0.00 C ATOM 727 CE1 HIS A 75 7.452 8.059 2.312 1.00 0.00 C ATOM 728 NE2 HIS A 75 7.258 8.002 3.616 1.00 0.00 N ATOM 0 H HIS A 75 5.241 4.191 3.886 1.00 0.00 H new ATOM 0 HA HIS A 75 3.522 6.407 4.201 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.834 5.066 1.818 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.842 6.500 1.647 1.00 0.00 H new ATOM 0 HD2 HIS A 75 5.739 7.001 4.842 1.00 0.00 H new ATOM 0 HE1 HIS A 75 8.248 8.593 1.814 1.00 0.00 H new ATOM 0 HE2 HIS A 75 7.838 8.457 4.321 1.00 0.00 H new ATOM 737 N THR A 76 2.257 3.735 2.762 1.00 0.00 N ATOM 738 CA THR A 76 1.015 3.108 2.324 1.00 0.00 C ATOM 739 C THR A 76 -0.071 3.259 3.384 1.00 0.00 C ATOM 740 O THR A 76 -1.220 3.568 3.072 1.00 0.00 O ATOM 741 CB THR A 76 1.245 1.626 2.023 1.00 0.00 C ATOM 742 OG1 THR A 76 2.239 1.465 1.026 1.00 0.00 O ATOM 743 CG2 THR A 76 -0.002 0.910 1.549 1.00 0.00 C ATOM 0 H THR A 76 3.064 3.111 2.768 1.00 0.00 H new ATOM 0 HA THR A 76 0.685 3.609 1.414 1.00 0.00 H new ATOM 0 HB THR A 76 1.559 1.185 2.969 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.118 1.678 1.403 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.231 -0.137 1.354 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.772 0.973 2.318 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.364 1.378 0.634 1.00 0.00 H new ATOM 751 N GLN A 77 0.304 3.041 4.640 1.00 0.00 N ATOM 752 CA GLN A 77 -0.636 3.155 5.747 1.00 0.00 C ATOM 753 C GLN A 77 -1.225 4.560 5.811 1.00 0.00 C ATOM 754 O GLN A 77 -2.399 4.737 6.136 1.00 0.00 O ATOM 755 CB GLN A 77 0.057 2.816 7.068 1.00 0.00 C ATOM 756 CG GLN A 77 0.165 1.323 7.332 1.00 0.00 C ATOM 757 CD GLN A 77 -0.795 0.849 8.406 1.00 0.00 C ATOM 758 OE1 GLN A 77 -1.880 0.350 8.108 1.00 0.00 O ATOM 759 NE2 GLN A 77 -0.400 1.005 9.664 1.00 0.00 N ATOM 0 H GLN A 77 1.252 2.785 4.916 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.448 2.447 5.581 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.057 3.250 7.066 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.491 3.283 7.887 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -0.032 0.779 6.408 1.00 0.00 H new ATOM 0 HG3 GLN A 77 1.186 1.084 7.631 1.00 0.00 H new ATOM 0 HE21 GLN A 77 0.508 1.424 9.865 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -1.005 0.706 10.429 1.00 0.00 H new ATOM 768 N ARG A 78 -0.403 5.556 5.496 1.00 0.00 N ATOM 769 CA ARG A 78 -0.840 6.943 5.515 1.00 0.00 C ATOM 770 C ARG A 78 -1.562 7.301 4.217 1.00 0.00 C ATOM 771 O ARG A 78 -2.525 8.068 4.224 1.00 0.00 O ATOM 772 CB ARG A 78 0.366 7.862 5.729 1.00 0.00 C ATOM 773 CG ARG A 78 0.062 9.341 5.546 1.00 0.00 C ATOM 774 CD ARG A 78 -0.049 10.062 6.880 1.00 0.00 C ATOM 775 NE ARG A 78 -1.247 10.895 6.952 1.00 0.00 N ATOM 776 CZ ARG A 78 -1.433 11.849 7.861 1.00 0.00 C ATOM 777 NH1 ARG A 78 -0.504 12.095 8.776 1.00 0.00 N ATOM 778 NH2 ARG A 78 -2.553 12.561 7.856 1.00 0.00 N ATOM 0 H ARG A 78 0.571 5.425 5.224 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.541 7.079 6.338 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.755 7.704 6.735 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.155 7.576 5.033 1.00 0.00 H new ATOM 0 HG2 ARG A 78 0.847 9.802 4.947 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.870 9.455 4.992 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.067 9.330 7.688 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.834 10.683 7.032 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.984 10.736 6.265 1.00 0.00 H new ATOM 0 HH11 ARG A 78 0.359 11.551 8.785 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -0.653 12.828 9.470 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.271 12.377 7.155 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.696 13.292 8.553 1.00 0.00 H new ATOM 792 N THR A 79 -1.091 6.742 3.105 1.00 0.00 N ATOM 793 CA THR A 79 -1.696 7.006 1.803 1.00 0.00 C ATOM 794 C THR A 79 -3.182 6.660 1.813 1.00 0.00 C ATOM 795 O THR A 79 -4.016 7.446 1.364 1.00 0.00 O ATOM 796 CB THR A 79 -0.984 6.207 0.710 1.00 0.00 C ATOM 797 OG1 THR A 79 -1.118 4.816 0.938 1.00 0.00 O ATOM 798 CG2 THR A 79 0.494 6.515 0.606 1.00 0.00 C ATOM 0 H THR A 79 -0.295 6.105 3.080 1.00 0.00 H new ATOM 0 HA THR A 79 -1.588 8.070 1.593 1.00 0.00 H new ATOM 0 HB THR A 79 -1.465 6.503 -0.222 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.285 4.655 1.890 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.936 5.914 -0.188 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.630 7.572 0.379 1.00 0.00 H new ATOM 0 HG23 THR A 79 0.982 6.281 1.552 1.00 0.00 H new ATOM 806 N LEU A 80 -3.504 5.479 2.329 1.00 0.00 N ATOM 807 CA LEU A 80 -4.889 5.029 2.399 1.00 0.00 C ATOM 808 C LEU A 80 -5.685 5.875 3.388 1.00 0.00 C ATOM 809 O LEU A 80 -6.858 6.172 3.162 1.00 0.00 O ATOM 810 CB LEU A 80 -4.950 3.558 2.810 1.00 0.00 C ATOM 811 CG LEU A 80 -4.099 2.608 1.966 1.00 0.00 C ATOM 812 CD1 LEU A 80 -3.613 1.436 2.804 1.00 0.00 C ATOM 813 CD2 LEU A 80 -4.890 2.117 0.769 1.00 0.00 C ATOM 0 H LEU A 80 -2.825 4.817 2.705 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.331 5.142 1.409 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.635 3.475 3.850 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.988 3.228 2.764 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.226 3.153 1.605 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.009 0.772 2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.010 1.807 3.633 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.470 0.888 3.195 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.272 1.442 0.177 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.779 1.588 1.112 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.188 2.968 0.156 1.00 0.00 H new ATOM 825 N ASP A 81 -5.038 6.261 4.484 1.00 0.00 N ATOM 826 CA ASP A 81 -5.684 7.074 5.510 1.00 0.00 C ATOM 827 C ASP A 81 -6.293 8.334 4.903 1.00 0.00 C ATOM 828 O ASP A 81 -7.428 8.699 5.211 1.00 0.00 O ATOM 829 CB ASP A 81 -4.677 7.449 6.600 1.00 0.00 C ATOM 830 CG ASP A 81 -5.114 6.987 7.976 1.00 0.00 C ATOM 831 OD1 ASP A 81 -6.331 6.796 8.180 1.00 0.00 O ATOM 832 OD2 ASP A 81 -4.239 6.815 8.851 1.00 0.00 O ATOM 0 H ASP A 81 -4.066 6.024 4.685 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.487 6.486 5.955 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.709 7.009 6.363 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -4.542 8.531 6.609 1.00 0.00 H new ATOM 837 N MET A 82 -5.531 8.992 4.036 1.00 0.00 N ATOM 838 CA MET A 82 -5.994 10.209 3.380 1.00 0.00 C ATOM 839 C MET A 82 -7.152 9.906 2.434 1.00 0.00 C ATOM 840 O MET A 82 -8.000 10.762 2.182 1.00 0.00 O ATOM 841 CB MET A 82 -4.845 10.865 2.611 1.00 0.00 C ATOM 842 CG MET A 82 -3.740 11.398 3.508 1.00 0.00 C ATOM 843 SD MET A 82 -2.098 11.165 2.801 1.00 0.00 S ATOM 844 CE MET A 82 -2.081 12.448 1.552 1.00 0.00 C ATOM 0 H MET A 82 -4.589 8.703 3.771 1.00 0.00 H new ATOM 0 HA MET A 82 -6.347 10.898 4.147 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.421 10.138 1.918 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.241 11.684 2.011 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.906 12.460 3.690 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.789 10.897 4.475 1.00 0.00 H new ATOM 0 HE1 MET A 82 -1.066 12.575 1.174 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.741 12.166 0.732 1.00 0.00 H new ATOM 0 HE3 MET A 82 -2.425 13.385 1.989 1.00 0.00 H new ATOM 854 N ALA A 83 -7.184 8.682 1.916 1.00 0.00 N ATOM 855 CA ALA A 83 -8.241 8.267 1.002 1.00 0.00 C ATOM 856 C ALA A 83 -9.566 8.109 1.738 1.00 0.00 C ATOM 857 O ALA A 83 -10.541 8.794 1.433 1.00 0.00 O ATOM 858 CB ALA A 83 -7.860 6.968 0.308 1.00 0.00 C ATOM 0 H ALA A 83 -6.490 7.961 2.114 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.363 9.044 0.247 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.659 6.671 -0.371 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -6.939 7.114 -0.257 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.709 6.188 1.054 1.00 0.00 H new ATOM 864 N ASP A 84 -9.593 7.203 2.711 1.00 0.00 N ATOM 865 CA ASP A 84 -10.799 6.958 3.493 1.00 0.00 C ATOM 866 C ASP A 84 -10.936 7.980 4.618 1.00 0.00 C ATOM 867 O ASP A 84 -11.032 7.620 5.792 1.00 0.00 O ATOM 868 CB ASP A 84 -10.777 5.541 4.071 1.00 0.00 C ATOM 869 CG ASP A 84 -9.492 5.241 4.818 1.00 0.00 C ATOM 870 OD1 ASP A 84 -9.415 5.566 6.021 1.00 0.00 O ATOM 871 OD2 ASP A 84 -8.563 4.680 4.200 1.00 0.00 O ATOM 0 H ASP A 84 -8.794 6.627 2.976 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.659 7.059 2.831 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -11.624 5.413 4.745 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -10.901 4.820 3.263 1.00 0.00 H new ATOM 876 N MET A 85 -10.945 9.258 4.251 1.00 0.00 N ATOM 877 CA MET A 85 -11.071 10.334 5.227 1.00 0.00 C ATOM 878 C MET A 85 -12.160 11.320 4.813 1.00 0.00 C ATOM 879 O MET A 85 -13.018 11.689 5.615 1.00 0.00 O ATOM 880 CB MET A 85 -9.737 11.067 5.381 1.00 0.00 C ATOM 881 CG MET A 85 -9.558 11.723 6.740 1.00 0.00 C ATOM 882 SD MET A 85 -8.276 10.932 7.734 1.00 0.00 S ATOM 883 CE MET A 85 -6.806 11.401 6.826 1.00 0.00 C ATOM 0 H MET A 85 -10.866 9.573 3.284 1.00 0.00 H new ATOM 0 HA MET A 85 -11.350 9.893 6.184 1.00 0.00 H new ATOM 0 HB2 MET A 85 -8.923 10.361 5.217 1.00 0.00 H new ATOM 0 HB3 MET A 85 -9.659 11.829 4.606 1.00 0.00 H new ATOM 0 HG2 MET A 85 -9.307 12.774 6.601 1.00 0.00 H new ATOM 0 HG3 MET A 85 -10.503 11.690 7.282 1.00 0.00 H new ATOM 0 HE1 MET A 85 -6.250 10.506 6.546 1.00 0.00 H new ATOM 0 HE2 MET A 85 -7.092 11.946 5.927 1.00 0.00 H new ATOM 0 HE3 MET A 85 -6.179 12.037 7.452 1.00 0.00 H new ATOM 893 N GLN A 86 -12.109 11.748 3.556 1.00 0.00 N ATOM 894 CA GLN A 86 -13.081 12.700 3.024 1.00 0.00 C ATOM 895 C GLN A 86 -14.516 12.205 3.202 1.00 0.00 C ATOM 896 O GLN A 86 -15.454 13.002 3.217 1.00 0.00 O ATOM 897 CB GLN A 86 -12.805 12.964 1.543 1.00 0.00 C ATOM 898 CG GLN A 86 -13.277 14.329 1.070 1.00 0.00 C ATOM 899 CD GLN A 86 -13.768 14.312 -0.364 1.00 0.00 C ATOM 900 OE1 GLN A 86 -14.050 13.252 -0.923 1.00 0.00 O ATOM 901 NE2 GLN A 86 -13.874 15.490 -0.967 1.00 0.00 N ATOM 0 H GLN A 86 -11.402 11.450 2.883 1.00 0.00 H new ATOM 0 HA GLN A 86 -12.974 13.627 3.587 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.734 12.876 1.360 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -13.295 12.193 0.948 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -14.079 14.677 1.721 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -12.459 15.044 1.162 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -13.629 16.344 -0.465 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -14.200 15.541 -1.932 1.00 0.00 H new ATOM 910 N HIS A 87 -14.685 10.892 3.331 1.00 0.00 N ATOM 911 CA HIS A 87 -16.013 10.307 3.502 1.00 0.00 C ATOM 912 C HIS A 87 -16.615 10.697 4.851 1.00 0.00 C ATOM 913 O HIS A 87 -16.734 9.871 5.754 1.00 0.00 O ATOM 914 CB HIS A 87 -15.946 8.783 3.381 1.00 0.00 C ATOM 915 CG HIS A 87 -15.121 8.306 2.226 1.00 0.00 C ATOM 916 ND1 HIS A 87 -13.749 8.179 2.282 1.00 0.00 N ATOM 917 CD2 HIS A 87 -15.481 7.919 0.979 1.00 0.00 C ATOM 918 CE1 HIS A 87 -13.302 7.735 1.121 1.00 0.00 C ATOM 919 NE2 HIS A 87 -14.332 7.569 0.314 1.00 0.00 N ATOM 0 H HIS A 87 -13.923 10.214 3.321 1.00 0.00 H new ATOM 0 HA HIS A 87 -16.655 10.698 2.713 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -15.536 8.372 4.303 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -16.958 8.391 3.280 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -16.485 7.891 0.582 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -12.269 7.541 0.874 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -14.283 7.235 -0.648 1.00 0.00 H new ATOM 1110 N LEU A 101 -6.208 17.053 -0.256 1.00 0.00 N ATOM 1111 CA LEU A 101 -6.864 16.892 -1.547 1.00 0.00 C ATOM 1112 C LEU A 101 -7.240 15.429 -1.783 1.00 0.00 C ATOM 1113 O LEU A 101 -6.442 14.529 -1.524 1.00 0.00 O ATOM 1114 CB LEU A 101 -5.953 17.387 -2.671 1.00 0.00 C ATOM 1115 CG LEU A 101 -5.538 18.857 -2.565 1.00 0.00 C ATOM 1116 CD1 LEU A 101 -4.022 18.988 -2.504 1.00 0.00 C ATOM 1117 CD2 LEU A 101 -6.099 19.657 -3.733 1.00 0.00 C ATOM 0 HA LEU A 101 -7.777 17.488 -1.543 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -5.054 16.771 -2.688 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.461 17.236 -3.624 1.00 0.00 H new ATOM 0 HG LEU A 101 -5.951 19.262 -1.641 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.751 20.041 -2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -3.645 18.453 -1.632 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -3.584 18.564 -3.407 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -5.794 20.699 -3.640 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -5.718 19.249 -4.669 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -7.187 19.596 -3.726 1.00 0.00 H new ATOM 1129 N PRO A 102 -8.464 15.169 -2.276 1.00 0.00 N ATOM 1130 CA PRO A 102 -8.934 13.804 -2.537 1.00 0.00 C ATOM 1131 C PRO A 102 -8.017 13.037 -3.486 1.00 0.00 C ATOM 1132 O PRO A 102 -8.003 11.807 -3.487 1.00 0.00 O ATOM 1133 CB PRO A 102 -10.310 14.010 -3.179 1.00 0.00 C ATOM 1134 CG PRO A 102 -10.742 15.365 -2.738 1.00 0.00 C ATOM 1135 CD PRO A 102 -9.486 16.178 -2.611 1.00 0.00 C ATOM 0 HA PRO A 102 -8.958 13.209 -1.624 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -10.252 13.949 -4.266 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -11.016 13.245 -2.854 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -11.425 15.812 -3.461 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -11.273 15.315 -1.787 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -9.248 16.699 -3.538 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -9.574 16.936 -1.833 1.00 0.00 H new ATOM 1143 N HIS A 103 -7.257 13.766 -4.296 1.00 0.00 N ATOM 1144 CA HIS A 103 -6.348 13.140 -5.250 1.00 0.00 C ATOM 1145 C HIS A 103 -4.950 12.951 -4.657 1.00 0.00 C ATOM 1146 O HIS A 103 -4.101 12.289 -5.255 1.00 0.00 O ATOM 1147 CB HIS A 103 -6.276 13.964 -6.539 1.00 0.00 C ATOM 1148 CG HIS A 103 -5.441 15.204 -6.428 1.00 0.00 C ATOM 1149 ND1 HIS A 103 -5.184 15.836 -5.230 1.00 0.00 N ATOM 1150 CD2 HIS A 103 -4.803 15.930 -7.378 1.00 0.00 C ATOM 1151 CE1 HIS A 103 -4.425 16.896 -5.447 1.00 0.00 C ATOM 1152 NE2 HIS A 103 -4.180 16.974 -6.742 1.00 0.00 N ATOM 0 H HIS A 103 -7.252 14.786 -4.312 1.00 0.00 H new ATOM 0 HA HIS A 103 -6.743 12.152 -5.484 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -5.873 13.338 -7.335 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -7.287 14.245 -6.835 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -4.788 15.725 -8.438 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -4.066 17.582 -4.693 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -3.618 17.694 -7.196 1.00 0.00 H new ATOM 1161 N GLU A 104 -4.713 13.525 -3.481 1.00 0.00 N ATOM 1162 CA GLU A 104 -3.417 13.400 -2.825 1.00 0.00 C ATOM 1163 C GLU A 104 -3.228 11.986 -2.284 1.00 0.00 C ATOM 1164 O GLU A 104 -2.106 11.488 -2.193 1.00 0.00 O ATOM 1165 CB GLU A 104 -3.293 14.413 -1.685 1.00 0.00 C ATOM 1166 CG GLU A 104 -2.841 15.790 -2.142 1.00 0.00 C ATOM 1167 CD GLU A 104 -1.332 15.905 -2.241 1.00 0.00 C ATOM 1168 OE1 GLU A 104 -0.680 16.076 -1.190 1.00 0.00 O ATOM 1169 OE2 GLU A 104 -0.803 15.824 -3.370 1.00 0.00 O ATOM 0 H GLU A 104 -5.398 14.078 -2.966 1.00 0.00 H new ATOM 0 HA GLU A 104 -2.641 13.603 -3.563 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -4.257 14.504 -1.184 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -2.585 14.033 -0.948 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -3.283 16.010 -3.114 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -3.214 16.541 -1.445 1.00 0.00 H new ATOM 1176 N ASN A 105 -4.338 11.349 -1.926 1.00 0.00 N ATOM 1177 CA ASN A 105 -4.307 9.992 -1.391 1.00 0.00 C ATOM 1178 C ASN A 105 -4.133 8.966 -2.507 1.00 0.00 C ATOM 1179 O ASN A 105 -3.303 8.062 -2.408 1.00 0.00 O ATOM 1180 CB ASN A 105 -5.592 9.700 -0.613 1.00 0.00 C ATOM 1181 CG ASN A 105 -6.837 10.102 -1.378 1.00 0.00 C ATOM 1182 OD1 ASN A 105 -7.190 9.485 -2.383 1.00 0.00 O ATOM 1183 ND2 ASN A 105 -7.511 11.143 -0.903 1.00 0.00 N ATOM 0 H ASN A 105 -5.272 11.752 -1.997 1.00 0.00 H new ATOM 0 HA ASN A 105 -3.454 9.916 -0.717 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -5.639 8.636 -0.382 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -5.566 10.232 0.338 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -8.358 11.461 -1.375 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -7.182 11.625 -0.067 1.00 0.00 H new ATOM 1190 N VAL A 106 -4.922 9.109 -3.567 1.00 0.00 N ATOM 1191 CA VAL A 106 -4.855 8.191 -4.698 1.00 0.00 C ATOM 1192 C VAL A 106 -3.457 8.167 -5.309 1.00 0.00 C ATOM 1193 O VAL A 106 -2.923 7.102 -5.620 1.00 0.00 O ATOM 1194 CB VAL A 106 -5.882 8.560 -5.789 1.00 0.00 C ATOM 1195 CG1 VAL A 106 -7.290 8.580 -5.215 1.00 0.00 C ATOM 1196 CG2 VAL A 106 -5.543 9.901 -6.422 1.00 0.00 C ATOM 0 H VAL A 106 -5.615 9.851 -3.666 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.093 7.200 -4.312 1.00 0.00 H new ATOM 0 HB VAL A 106 -5.838 7.797 -6.567 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -7.999 8.842 -6.000 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -7.535 7.595 -4.819 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -7.346 9.317 -4.414 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -6.281 10.139 -7.188 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -5.551 10.677 -5.657 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -4.553 9.849 -6.876 1.00 0.00 H new ATOM 1206 N ASP A 107 -2.870 9.347 -5.478 1.00 0.00 N ATOM 1207 CA ASP A 107 -1.534 9.460 -6.051 1.00 0.00 C ATOM 1208 C ASP A 107 -0.516 8.709 -5.200 1.00 0.00 C ATOM 1209 O ASP A 107 0.257 7.896 -5.709 1.00 0.00 O ATOM 1210 CB ASP A 107 -1.129 10.931 -6.171 1.00 0.00 C ATOM 1211 CG ASP A 107 -1.881 11.650 -7.273 1.00 0.00 C ATOM 1212 OD1 ASP A 107 -2.048 11.059 -8.361 1.00 0.00 O ATOM 1213 OD2 ASP A 107 -2.303 12.804 -7.049 1.00 0.00 O ATOM 0 H ASP A 107 -3.298 10.238 -5.226 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.552 9.014 -7.046 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.313 11.434 -5.222 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.058 10.995 -6.364 1.00 0.00 H new ATOM 1218 N ASP A 108 -0.523 8.984 -3.900 1.00 0.00 N ATOM 1219 CA ASP A 108 0.397 8.334 -2.977 1.00 0.00 C ATOM 1220 C ASP A 108 0.100 6.841 -2.874 1.00 0.00 C ATOM 1221 O ASP A 108 0.997 6.036 -2.624 1.00 0.00 O ATOM 1222 CB ASP A 108 0.309 8.982 -1.594 1.00 0.00 C ATOM 1223 CG ASP A 108 0.397 10.495 -1.659 1.00 0.00 C ATOM 1224 OD1 ASP A 108 0.946 11.016 -2.652 1.00 0.00 O ATOM 1225 OD2 ASP A 108 -0.084 11.158 -0.716 1.00 0.00 O ATOM 0 H ASP A 108 -1.156 9.653 -3.463 1.00 0.00 H new ATOM 0 HA ASP A 108 1.409 8.458 -3.364 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.630 8.695 -1.120 1.00 0.00 H new ATOM 0 HB3 ASP A 108 1.113 8.600 -0.965 1.00 0.00 H new ATOM 1230 N MET A 109 -1.164 6.476 -3.073 1.00 0.00 N ATOM 1231 CA MET A 109 -1.571 5.077 -3.005 1.00 0.00 C ATOM 1232 C MET A 109 -0.878 4.263 -4.092 1.00 0.00 C ATOM 1233 O MET A 109 -0.313 3.203 -3.824 1.00 0.00 O ATOM 1234 CB MET A 109 -3.091 4.959 -3.144 1.00 0.00 C ATOM 1235 CG MET A 109 -3.794 4.598 -1.844 1.00 0.00 C ATOM 1236 SD MET A 109 -4.903 5.896 -1.264 1.00 0.00 S ATOM 1237 CE MET A 109 -6.383 5.519 -2.200 1.00 0.00 C ATOM 0 H MET A 109 -1.921 7.127 -3.282 1.00 0.00 H new ATOM 0 HA MET A 109 -1.275 4.680 -2.034 1.00 0.00 H new ATOM 0 HB2 MET A 109 -3.489 5.905 -3.512 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.321 4.203 -3.894 1.00 0.00 H new ATOM 0 HG2 MET A 109 -4.362 3.679 -1.987 1.00 0.00 H new ATOM 0 HG3 MET A 109 -3.047 4.395 -1.077 1.00 0.00 H new ATOM 0 HE1 MET A 109 -6.614 6.351 -2.866 1.00 0.00 H new ATOM 0 HE2 MET A 109 -6.221 4.617 -2.789 1.00 0.00 H new ATOM 0 HE3 MET A 109 -7.216 5.360 -1.515 1.00 0.00 H new ATOM 1247 N ARG A 110 -0.921 4.770 -5.319 1.00 0.00 N ATOM 1248 CA ARG A 110 -0.293 4.095 -6.450 1.00 0.00 C ATOM 1249 C ARG A 110 1.192 3.874 -6.188 1.00 0.00 C ATOM 1250 O ARG A 110 1.772 2.883 -6.631 1.00 0.00 O ATOM 1251 CB ARG A 110 -0.476 4.913 -7.732 1.00 0.00 C ATOM 1252 CG ARG A 110 -1.865 5.512 -7.880 1.00 0.00 C ATOM 1253 CD ARG A 110 -2.358 5.434 -9.317 1.00 0.00 C ATOM 1254 NE ARG A 110 -2.591 4.055 -9.742 1.00 0.00 N ATOM 1255 CZ ARG A 110 -3.249 3.723 -10.850 1.00 0.00 C ATOM 1256 NH1 ARG A 110 -3.741 4.664 -11.646 1.00 0.00 N ATOM 1257 NH2 ARG A 110 -3.416 2.445 -11.164 1.00 0.00 N ATOM 0 H ARG A 110 -1.385 5.647 -5.557 1.00 0.00 H new ATOM 0 HA ARG A 110 -0.776 3.126 -6.575 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.260 5.716 -7.748 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.271 4.275 -8.592 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -2.561 4.985 -7.227 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -1.850 6.553 -7.556 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -3.282 6.004 -9.415 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -1.625 5.898 -9.977 1.00 0.00 H new ATOM 0 HE ARG A 110 -2.228 3.304 -9.155 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -3.616 5.648 -11.410 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -4.244 4.403 -12.494 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -3.040 1.717 -10.556 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -3.920 2.190 -12.013 1.00 0.00 H new ATOM 1271 N SER A 111 1.800 4.805 -5.461 1.00 0.00 N ATOM 1272 CA SER A 111 3.218 4.715 -5.133 1.00 0.00 C ATOM 1273 C SER A 111 3.509 3.446 -4.337 1.00 0.00 C ATOM 1274 O SER A 111 4.536 2.797 -4.535 1.00 0.00 O ATOM 1275 CB SER A 111 3.658 5.944 -4.336 1.00 0.00 C ATOM 1276 OG SER A 111 3.426 7.136 -5.067 1.00 0.00 O ATOM 0 H SER A 111 1.333 5.631 -5.087 1.00 0.00 H new ATOM 0 HA SER A 111 3.781 4.677 -6.065 1.00 0.00 H new ATOM 0 HB2 SER A 111 3.116 5.982 -3.391 1.00 0.00 H new ATOM 0 HB3 SER A 111 4.717 5.863 -4.093 1.00 0.00 H new ATOM 0 HG SER A 111 2.462 7.265 -5.184 1.00 0.00 H new ATOM 1282 N ALA A 112 2.597 3.098 -3.437 1.00 0.00 N ATOM 1283 CA ALA A 112 2.756 1.907 -2.613 1.00 0.00 C ATOM 1284 C ALA A 112 2.850 0.650 -3.472 1.00 0.00 C ATOM 1285 O ALA A 112 3.668 -0.231 -3.211 1.00 0.00 O ATOM 1286 CB ALA A 112 1.604 1.790 -1.626 1.00 0.00 C ATOM 0 H ALA A 112 1.741 3.623 -3.260 1.00 0.00 H new ATOM 0 HA ALA A 112 3.688 2.004 -2.057 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.736 0.896 -1.017 1.00 0.00 H new ATOM 0 HB2 ALA A 112 1.587 2.669 -0.981 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.663 1.722 -2.172 1.00 0.00 H new ATOM 1292 N ILE A 113 2.005 0.570 -4.496 1.00 0.00 N ATOM 1293 CA ILE A 113 1.994 -0.586 -5.385 1.00 0.00 C ATOM 1294 C ILE A 113 3.314 -0.718 -6.142 1.00 0.00 C ATOM 1295 O ILE A 113 3.747 -1.824 -6.454 1.00 0.00 O ATOM 1296 CB ILE A 113 0.814 -0.522 -6.385 1.00 0.00 C ATOM 1297 CG1 ILE A 113 0.171 -1.902 -6.534 1.00 0.00 C ATOM 1298 CG2 ILE A 113 1.262 0.005 -7.743 1.00 0.00 C ATOM 1299 CD1 ILE A 113 -0.877 -2.196 -5.483 1.00 0.00 C ATOM 0 H ILE A 113 1.321 1.290 -4.730 1.00 0.00 H new ATOM 0 HA ILE A 113 1.865 -1.468 -4.757 1.00 0.00 H new ATOM 0 HB ILE A 113 0.075 0.173 -5.987 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.285 -1.977 -7.521 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.949 -2.664 -6.483 1.00 0.00 H new ATOM 0 HG21 ILE A 113 0.409 0.037 -8.420 1.00 0.00 H new ATOM 0 HG22 ILE A 113 1.671 1.009 -7.627 1.00 0.00 H new ATOM 0 HG23 ILE A 113 2.027 -0.653 -8.154 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.291 -3.191 -5.650 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.422 -2.153 -4.493 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.675 -1.456 -5.548 1.00 0.00 H new ATOM 1311 N THR A 114 3.951 0.411 -6.434 1.00 0.00 N ATOM 1312 CA THR A 114 5.222 0.397 -7.151 1.00 0.00 C ATOM 1313 C THR A 114 6.247 -0.436 -6.395 1.00 0.00 C ATOM 1314 O THR A 114 6.870 -1.338 -6.956 1.00 0.00 O ATOM 1315 CB THR A 114 5.750 1.819 -7.346 1.00 0.00 C ATOM 1316 OG1 THR A 114 6.285 2.326 -6.136 1.00 0.00 O ATOM 1317 CG2 THR A 114 4.696 2.791 -7.829 1.00 0.00 C ATOM 0 H THR A 114 3.612 1.341 -6.188 1.00 0.00 H new ATOM 0 HA THR A 114 5.054 -0.049 -8.131 1.00 0.00 H new ATOM 0 HB THR A 114 6.520 1.737 -8.113 1.00 0.00 H new ATOM 0 HG1 THR A 114 5.612 2.879 -5.687 1.00 0.00 H new ATOM 0 HG21 THR A 114 5.139 3.780 -7.946 1.00 0.00 H new ATOM 0 HG22 THR A 114 4.303 2.454 -8.788 1.00 0.00 H new ATOM 0 HG23 THR A 114 3.886 2.840 -7.102 1.00 0.00 H new ATOM 1325 N ASP A 115 6.409 -0.130 -5.113 1.00 0.00 N ATOM 1326 CA ASP A 115 7.351 -0.853 -4.268 1.00 0.00 C ATOM 1327 C ASP A 115 6.837 -2.257 -3.965 1.00 0.00 C ATOM 1328 O ASP A 115 7.575 -3.236 -4.079 1.00 0.00 O ATOM 1329 CB ASP A 115 7.587 -0.090 -2.964 1.00 0.00 C ATOM 1330 CG ASP A 115 9.029 -0.169 -2.501 1.00 0.00 C ATOM 1331 OD1 ASP A 115 9.605 -1.276 -2.540 1.00 0.00 O ATOM 1332 OD2 ASP A 115 9.582 0.877 -2.101 1.00 0.00 O ATOM 0 H ASP A 115 5.900 0.614 -4.636 1.00 0.00 H new ATOM 0 HA ASP A 115 8.296 -0.938 -4.805 1.00 0.00 H new ATOM 0 HB2 ASP A 115 7.309 0.955 -3.102 1.00 0.00 H new ATOM 0 HB3 ASP A 115 6.936 -0.493 -2.188 1.00 0.00 H new ATOM 1337 N TRP A 116 5.568 -2.348 -3.578 1.00 0.00 N ATOM 1338 CA TRP A 116 4.956 -3.634 -3.259 1.00 0.00 C ATOM 1339 C TRP A 116 4.986 -4.566 -4.466 1.00 0.00 C ATOM 1340 O TRP A 116 5.483 -5.689 -4.381 1.00 0.00 O ATOM 1341 CB TRP A 116 3.515 -3.434 -2.789 1.00 0.00 C ATOM 1342 CG TRP A 116 3.405 -3.148 -1.323 1.00 0.00 C ATOM 1343 CD1 TRP A 116 3.129 -1.945 -0.742 1.00 0.00 C ATOM 1344 CD2 TRP A 116 3.572 -4.083 -0.251 1.00 0.00 C ATOM 1345 NE1 TRP A 116 3.112 -2.074 0.625 1.00 0.00 N ATOM 1346 CE2 TRP A 116 3.382 -3.377 0.951 1.00 0.00 C ATOM 1347 CE3 TRP A 116 3.863 -5.449 -0.192 1.00 0.00 C ATOM 1348 CZ2 TRP A 116 3.473 -3.991 2.198 1.00 0.00 C ATOM 1349 CZ3 TRP A 116 3.953 -6.057 1.046 1.00 0.00 C ATOM 1350 CH2 TRP A 116 3.759 -5.329 2.226 1.00 0.00 C ATOM 0 H TRP A 116 4.944 -1.547 -3.478 1.00 0.00 H new ATOM 0 HA TRP A 116 5.532 -4.093 -2.455 1.00 0.00 H new ATOM 0 HB2 TRP A 116 3.069 -2.611 -3.347 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.937 -4.328 -3.022 1.00 0.00 H new ATOM 0 HD1 TRP A 116 2.950 -1.025 -1.279 1.00 0.00 H new ATOM 0 HE1 TRP A 116 2.928 -1.322 1.289 1.00 0.00 H new ATOM 0 HE3 TRP A 116 4.015 -6.019 -1.097 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 3.323 -3.432 3.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 4.177 -7.112 1.104 1.00 0.00 H new ATOM 0 HH2 TRP A 116 3.837 -5.834 3.178 1.00 0.00 H new ATOM 1361 N SER A 117 4.454 -4.094 -5.591 1.00 0.00 N ATOM 1362 CA SER A 117 4.426 -4.889 -6.815 1.00 0.00 C ATOM 1363 C SER A 117 5.827 -5.378 -7.169 1.00 0.00 C ATOM 1364 O SER A 117 6.032 -6.556 -7.468 1.00 0.00 O ATOM 1365 CB SER A 117 3.853 -4.068 -7.972 1.00 0.00 C ATOM 1366 OG SER A 117 2.524 -3.659 -7.698 1.00 0.00 O ATOM 0 H SER A 117 4.038 -3.167 -5.680 1.00 0.00 H new ATOM 0 HA SER A 117 3.785 -5.754 -6.645 1.00 0.00 H new ATOM 0 HB2 SER A 117 4.478 -3.192 -8.145 1.00 0.00 H new ATOM 0 HB3 SER A 117 3.873 -4.660 -8.887 1.00 0.00 H new ATOM 0 HG SER A 117 2.521 -2.718 -7.423 1.00 0.00 H new ATOM 1372 N ASP A 118 6.790 -4.462 -7.122 1.00 0.00 N ATOM 1373 CA ASP A 118 8.175 -4.795 -7.428 1.00 0.00 C ATOM 1374 C ASP A 118 8.695 -5.856 -6.466 1.00 0.00 C ATOM 1375 O ASP A 118 9.518 -6.694 -6.834 1.00 0.00 O ATOM 1376 CB ASP A 118 9.053 -3.544 -7.351 1.00 0.00 C ATOM 1377 CG ASP A 118 10.311 -3.669 -8.188 1.00 0.00 C ATOM 1378 OD1 ASP A 118 10.242 -3.402 -9.407 1.00 0.00 O ATOM 1379 OD2 ASP A 118 11.365 -4.032 -7.625 1.00 0.00 O ATOM 0 H ASP A 118 6.636 -3.484 -6.875 1.00 0.00 H new ATOM 0 HA ASP A 118 8.215 -5.193 -8.442 1.00 0.00 H new ATOM 0 HB2 ASP A 118 8.480 -2.680 -7.688 1.00 0.00 H new ATOM 0 HB3 ASP A 118 9.328 -3.359 -6.312 1.00 0.00 H new ATOM 1384 N MET A 119 8.202 -5.816 -5.232 1.00 0.00 N ATOM 1385 CA MET A 119 8.611 -6.777 -4.216 1.00 0.00 C ATOM 1386 C MET A 119 7.999 -8.144 -4.492 1.00 0.00 C ATOM 1387 O MET A 119 8.625 -9.174 -4.253 1.00 0.00 O ATOM 1388 CB MET A 119 8.199 -6.294 -2.825 1.00 0.00 C ATOM 1389 CG MET A 119 8.859 -7.069 -1.695 1.00 0.00 C ATOM 1390 SD MET A 119 8.400 -6.446 -0.067 1.00 0.00 S ATOM 1391 CE MET A 119 10.004 -6.364 0.724 1.00 0.00 C ATOM 0 H MET A 119 7.519 -5.129 -4.913 1.00 0.00 H new ATOM 0 HA MET A 119 9.697 -6.866 -4.252 1.00 0.00 H new ATOM 0 HB2 MET A 119 8.450 -5.238 -2.726 1.00 0.00 H new ATOM 0 HB3 MET A 119 7.116 -6.375 -2.727 1.00 0.00 H new ATOM 0 HG2 MET A 119 8.581 -8.120 -1.769 1.00 0.00 H new ATOM 0 HG3 MET A 119 9.942 -7.017 -1.808 1.00 0.00 H new ATOM 0 HE1 MET A 119 10.020 -7.033 1.584 1.00 0.00 H new ATOM 0 HE2 MET A 119 10.775 -6.666 0.015 1.00 0.00 H new ATOM 0 HE3 MET A 119 10.195 -5.343 1.055 1.00 0.00 H new ATOM 1401 N ARG A 120 6.772 -8.150 -5.003 1.00 0.00 N ATOM 1402 CA ARG A 120 6.082 -9.397 -5.314 1.00 0.00 C ATOM 1403 C ARG A 120 6.957 -10.294 -6.185 1.00 0.00 C ATOM 1404 O ARG A 120 7.062 -11.497 -5.946 1.00 0.00 O ATOM 1405 CB ARG A 120 4.756 -9.109 -6.021 1.00 0.00 C ATOM 1406 CG ARG A 120 3.547 -9.192 -5.102 1.00 0.00 C ATOM 1407 CD ARG A 120 2.354 -9.826 -5.801 1.00 0.00 C ATOM 1408 NE ARG A 120 1.140 -9.030 -5.640 1.00 0.00 N ATOM 1409 CZ ARG A 120 0.982 -7.809 -6.145 1.00 0.00 C ATOM 1410 NH1 ARG A 120 1.958 -7.240 -6.842 1.00 0.00 N ATOM 1411 NH2 ARG A 120 -0.155 -7.154 -5.953 1.00 0.00 N ATOM 0 H ARG A 120 6.236 -7.307 -5.210 1.00 0.00 H new ATOM 0 HA ARG A 120 5.877 -9.917 -4.378 1.00 0.00 H new ATOM 0 HB2 ARG A 120 4.798 -8.114 -6.464 1.00 0.00 H new ATOM 0 HB3 ARG A 120 4.629 -9.817 -6.840 1.00 0.00 H new ATOM 0 HG2 ARG A 120 3.802 -9.774 -4.216 1.00 0.00 H new ATOM 0 HG3 ARG A 120 3.280 -8.192 -4.760 1.00 0.00 H new ATOM 0 HD2 ARG A 120 2.574 -9.941 -6.862 1.00 0.00 H new ATOM 0 HD3 ARG A 120 2.188 -10.826 -5.400 1.00 0.00 H new ATOM 0 HE ARG A 120 0.368 -9.434 -5.109 1.00 0.00 H new ATOM 0 HH11 ARG A 120 2.835 -7.739 -6.993 1.00 0.00 H new ATOM 0 HH12 ARG A 120 1.831 -6.304 -7.227 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -0.908 -7.586 -5.418 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -0.276 -6.218 -6.340 1.00 0.00 H new ATOM 1425 N GLU A 121 7.586 -9.697 -7.192 1.00 0.00 N ATOM 1426 CA GLU A 121 8.456 -10.440 -8.097 1.00 0.00 C ATOM 1427 C GLU A 121 9.837 -10.648 -7.482 1.00 0.00 C ATOM 1428 O GLU A 121 10.442 -11.709 -7.635 1.00 0.00 O ATOM 1429 CB GLU A 121 8.585 -9.704 -9.432 1.00 0.00 C ATOM 1430 CG GLU A 121 7.555 -10.131 -10.465 1.00 0.00 C ATOM 1431 CD GLU A 121 8.037 -9.925 -11.888 1.00 0.00 C ATOM 1432 OE1 GLU A 121 9.200 -10.274 -12.177 1.00 0.00 O ATOM 1433 OE2 GLU A 121 7.250 -9.414 -12.713 1.00 0.00 O ATOM 0 H GLU A 121 7.510 -8.702 -7.402 1.00 0.00 H new ATOM 0 HA GLU A 121 8.006 -11.418 -8.270 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.489 -8.632 -9.257 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.583 -9.873 -9.835 1.00 0.00 H new ATOM 0 HG2 GLU A 121 7.311 -11.183 -10.316 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.636 -9.566 -10.311 1.00 0.00 H new ATOM 1440 N ALA A 122 10.331 -9.627 -6.787 1.00 0.00 N ATOM 1441 CA ALA A 122 11.642 -9.696 -6.151 1.00 0.00 C ATOM 1442 C ALA A 122 11.648 -10.706 -5.008 1.00 0.00 C ATOM 1443 O ALA A 122 12.426 -11.660 -5.012 1.00 0.00 O ATOM 1444 CB ALA A 122 12.054 -8.323 -5.644 1.00 0.00 C ATOM 0 H ALA A 122 9.843 -8.742 -6.650 1.00 0.00 H new ATOM 0 HA ALA A 122 12.363 -10.029 -6.898 1.00 0.00 H new ATOM 0 HB1 ALA A 122 13.034 -8.389 -5.172 1.00 0.00 H new ATOM 0 HB2 ALA A 122 12.100 -7.625 -6.480 1.00 0.00 H new ATOM 0 HB3 ALA A 122 11.323 -7.970 -4.916 1.00 0.00 H new ATOM 1450 N LEU A 123 10.776 -10.487 -4.028 1.00 0.00 N ATOM 1451 CA LEU A 123 10.676 -11.372 -2.872 1.00 0.00 C ATOM 1452 C LEU A 123 10.540 -12.830 -3.304 1.00 0.00 C ATOM 1453 O LEU A 123 11.184 -13.715 -2.742 1.00 0.00 O ATOM 1454 CB LEU A 123 9.483 -10.969 -2.000 1.00 0.00 C ATOM 1455 CG LEU A 123 9.748 -10.975 -0.494 1.00 0.00 C ATOM 1456 CD1 LEU A 123 10.962 -10.122 -0.162 1.00 0.00 C ATOM 1457 CD2 LEU A 123 8.525 -10.481 0.263 1.00 0.00 C ATOM 0 H LEU A 123 10.126 -9.701 -4.012 1.00 0.00 H new ATOM 0 HA LEU A 123 11.593 -11.274 -2.292 1.00 0.00 H new ATOM 0 HB2 LEU A 123 9.160 -9.970 -2.292 1.00 0.00 H new ATOM 0 HB3 LEU A 123 8.655 -11.645 -2.210 1.00 0.00 H new ATOM 0 HG LEU A 123 9.954 -12.000 -0.185 1.00 0.00 H new ATOM 0 HD11 LEU A 123 11.135 -10.138 0.914 1.00 0.00 H new ATOM 0 HD12 LEU A 123 11.837 -10.519 -0.676 1.00 0.00 H new ATOM 0 HD13 LEU A 123 10.785 -9.096 -0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 123 8.731 -10.492 1.333 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.289 -9.464 -0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 123 7.678 -11.133 0.050 1.00 0.00 H new ATOM 1469 N GLN A 124 9.701 -13.073 -4.307 1.00 0.00 N ATOM 1470 CA GLN A 124 9.489 -14.426 -4.810 1.00 0.00 C ATOM 1471 C GLN A 124 10.803 -15.038 -5.288 1.00 0.00 C ATOM 1472 O GLN A 124 11.074 -16.215 -5.052 1.00 0.00 O ATOM 1473 CB GLN A 124 8.469 -14.416 -5.952 1.00 0.00 C ATOM 1474 CG GLN A 124 7.207 -15.207 -5.646 1.00 0.00 C ATOM 1475 CD GLN A 124 6.552 -15.765 -6.895 1.00 0.00 C ATOM 1476 OE1 GLN A 124 6.832 -16.890 -7.307 1.00 0.00 O ATOM 1477 NE2 GLN A 124 5.674 -14.977 -7.504 1.00 0.00 N ATOM 0 H GLN A 124 9.159 -12.354 -4.786 1.00 0.00 H new ATOM 0 HA GLN A 124 9.100 -15.035 -3.994 1.00 0.00 H new ATOM 0 HB2 GLN A 124 8.196 -13.385 -6.176 1.00 0.00 H new ATOM 0 HB3 GLN A 124 8.935 -14.824 -6.849 1.00 0.00 H new ATOM 0 HG2 GLN A 124 7.451 -16.027 -4.971 1.00 0.00 H new ATOM 0 HG3 GLN A 124 6.498 -14.565 -5.124 1.00 0.00 H new ATOM 0 HE21 GLN A 124 5.472 -14.051 -7.127 1.00 0.00 H new ATOM 0 HE22 GLN A 124 5.201 -15.298 -8.349 1.00 0.00 H new ATOM 1486 N HIS A 125 11.615 -14.228 -5.959 1.00 0.00 N ATOM 1487 CA HIS A 125 12.901 -14.686 -6.470 1.00 0.00 C ATOM 1488 C HIS A 125 13.840 -15.056 -5.326 1.00 0.00 C ATOM 1489 O HIS A 125 14.363 -16.170 -5.275 1.00 0.00 O ATOM 1490 CB HIS A 125 13.542 -13.606 -7.342 1.00 0.00 C ATOM 1491 CG HIS A 125 13.086 -13.639 -8.767 1.00 0.00 C ATOM 1492 ND1 HIS A 125 11.757 -13.687 -9.131 1.00 0.00 N ATOM 1493 CD2 HIS A 125 13.791 -13.630 -9.924 1.00 0.00 C ATOM 1494 CE1 HIS A 125 11.664 -13.708 -10.449 1.00 0.00 C ATOM 1495 NE2 HIS A 125 12.883 -13.674 -10.953 1.00 0.00 N ATOM 0 H HIS A 125 11.405 -13.251 -6.162 1.00 0.00 H new ATOM 0 HA HIS A 125 12.727 -15.575 -7.076 1.00 0.00 H new ATOM 0 HB2 HIS A 125 13.315 -12.627 -6.919 1.00 0.00 H new ATOM 0 HB3 HIS A 125 14.625 -13.723 -7.313 1.00 0.00 H new ATOM 0 HD1 HIS A 125 10.969 -13.704 -8.484 1.00 0.00 H new ATOM 0 HD2 HIS A 125 14.866 -13.595 -10.019 1.00 0.00 H new ATOM 0 HE1 HIS A 125 10.746 -13.746 -11.017 1.00 0.00 H new ATOM 1504 N ALA A 126 14.049 -14.116 -4.411 1.00 0.00 N ATOM 1505 CA ALA A 126 14.925 -14.342 -3.268 1.00 0.00 C ATOM 1506 C ALA A 126 14.409 -15.483 -2.397 1.00 0.00 C ATOM 1507 O ALA A 126 15.186 -16.180 -1.746 1.00 0.00 O ATOM 1508 CB ALA A 126 15.060 -13.069 -2.448 1.00 0.00 C ATOM 0 H ALA A 126 13.623 -13.190 -4.439 1.00 0.00 H new ATOM 0 HA ALA A 126 15.908 -14.624 -3.645 1.00 0.00 H new ATOM 0 HB1 ALA A 126 15.717 -13.252 -1.598 1.00 0.00 H new ATOM 0 HB2 ALA A 126 15.482 -12.279 -3.069 1.00 0.00 H new ATOM 0 HB3 ALA A 126 14.078 -12.762 -2.088 1.00 0.00 H new ATOM 1514 N MET A 127 13.092 -15.669 -2.391 1.00 0.00 N ATOM 1515 CA MET A 127 12.473 -16.726 -1.599 1.00 0.00 C ATOM 1516 C MET A 127 12.913 -18.102 -2.089 1.00 0.00 C ATOM 1517 O MET A 127 13.056 -19.036 -1.300 1.00 0.00 O ATOM 1518 CB MET A 127 10.949 -16.612 -1.663 1.00 0.00 C ATOM 1519 CG MET A 127 10.234 -17.407 -0.583 1.00 0.00 C ATOM 1520 SD MET A 127 8.601 -17.969 -1.100 1.00 0.00 S ATOM 1521 CE MET A 127 7.675 -16.437 -1.020 1.00 0.00 C ATOM 0 H MET A 127 12.434 -15.102 -2.925 1.00 0.00 H new ATOM 0 HA MET A 127 12.797 -16.609 -0.565 1.00 0.00 H new ATOM 0 HB2 MET A 127 10.667 -15.563 -1.577 1.00 0.00 H new ATOM 0 HB3 MET A 127 10.608 -16.954 -2.640 1.00 0.00 H new ATOM 0 HG2 MET A 127 10.841 -18.270 -0.310 1.00 0.00 H new ATOM 0 HG3 MET A 127 10.136 -16.791 0.311 1.00 0.00 H new ATOM 0 HE1 MET A 127 6.823 -16.561 -0.351 1.00 0.00 H new ATOM 0 HE2 MET A 127 8.319 -15.642 -0.644 1.00 0.00 H new ATOM 0 HE3 MET A 127 7.319 -16.175 -2.016 1.00 0.00 H new ATOM 1531 N GLY A 128 13.127 -18.219 -3.396 1.00 0.00 N ATOM 1532 CA GLY A 128 13.551 -19.485 -3.968 1.00 0.00 C ATOM 1533 C GLY A 128 12.724 -19.892 -5.173 1.00 0.00 C ATOM 1534 O GLY A 128 12.454 -21.075 -5.377 1.00 0.00 O ATOM 0 H GLY A 128 13.015 -17.461 -4.069 1.00 0.00 H new ATOM 0 HA2 GLY A 128 14.599 -19.414 -4.259 1.00 0.00 H new ATOM 0 HA3 GLY A 128 13.484 -20.263 -3.207 1.00 0.00 H new ATOM 1538 N ILE A 129 12.321 -18.910 -5.975 1.00 0.00 N ATOM 1539 CA ILE A 129 11.522 -19.175 -7.166 1.00 0.00 C ATOM 1540 C ILE A 129 12.078 -18.429 -8.375 1.00 0.00 C ATOM 1541 O ILE A 129 12.814 -17.454 -8.229 1.00 0.00 O ATOM 1542 CB ILE A 129 10.050 -18.768 -6.957 1.00 0.00 C ATOM 1543 CG1 ILE A 129 9.506 -19.376 -5.660 1.00 0.00 C ATOM 1544 CG2 ILE A 129 9.205 -19.198 -8.147 1.00 0.00 C ATOM 1545 CD1 ILE A 129 9.158 -18.345 -4.609 1.00 0.00 C ATOM 0 H ILE A 129 12.535 -17.925 -5.821 1.00 0.00 H new ATOM 0 HA ILE A 129 11.571 -20.248 -7.349 1.00 0.00 H new ATOM 0 HB ILE A 129 9.999 -17.682 -6.875 1.00 0.00 H new ATOM 0 HG12 ILE A 129 8.617 -19.964 -5.889 1.00 0.00 H new ATOM 0 HG13 ILE A 129 10.247 -20.063 -5.252 1.00 0.00 H new ATOM 0 HG21 ILE A 129 8.169 -18.903 -7.983 1.00 0.00 H new ATOM 0 HG22 ILE A 129 9.580 -18.719 -9.051 1.00 0.00 H new ATOM 0 HG23 ILE A 129 9.260 -20.281 -8.260 1.00 0.00 H new ATOM 0 HD11 ILE A 129 8.779 -18.847 -3.718 1.00 0.00 H new ATOM 0 HD12 ILE A 129 10.049 -17.773 -4.352 1.00 0.00 H new ATOM 0 HD13 ILE A 129 8.394 -17.672 -4.999 1.00 0.00 H new