USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 566 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 16 TYR OH : rot -59:sc= 0.808 USER MOD Set 1.2: A 65 ASN : amide:sc= -2.04 K(o=-1.2,f=-2.5!) USER MOD Set 2.1: A 40 SER OG : rot 121:sc= 1.44 USER MOD Set 2.2: A 42 SER OG : rot 180:sc= 1.2 USER MOD Set 3.1: A 15 SER OG : rot 4:sc= 0.0744 USER MOD Set 3.2: A 18 GLN : amide:sc= -1.82 X(o=-1.7,f=-1.7!) USER MOD Single : A 5 HIS : no HE2:sc= -1.34 K(o=-1.3,f=-6.2!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -91:sc= -0.738 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ -123:sc= 1.07 (180deg=-0.189) USER MOD Single : A 33 ASN : amide:sc= 1.18 K(o=1.2,f=-0.0076) USER MOD Single : A 35 HIS : no HE2:sc= -1.02! C(o=-1!,f=-5.1!) USER MOD Single : A 36 ASN : amide:sc= 0.0654 K(o=0.065,f=-4.3!) USER MOD Single : A 37 GLN :FLIP amide:sc= 0 F(o=-0.91!,f=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 46 SER OG : rot 94:sc= 1.25 USER MOD Single : A 48 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 ASN :FLIP amide:sc= -0.416 F(o=-2.1,f=-0.42) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 60 ASN : amide:sc= -0.241 X(o=-0.24,f=-0.22) USER MOD Single : A 62 ASN : amide:sc= -0.815 K(o=-0.81,f=-12!) USER MOD Single : A 68 SER OG : rot 102:sc= 1.32 USER MOD Single : A 72 LYS NZ :NH3+ -127:sc= 0.00185 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0.0123 X(o=0.012,f=0) USER MOD Single : A 79 TYR OH : rot 156:sc= -1.74! USER MOD Single : A 80 THR OG1 : rot 164:sc= 0.83 USER MOD Single : A 82 SER OG : rot 165:sc= 0.968 USER MOD ----------------------------------------------------------------- ATOM 34 N CYS A 3 -3.859 7.708 9.264 1.00 0.00 N ATOM 35 CA CYS A 3 -3.319 7.825 7.866 1.00 0.00 C ATOM 36 C CYS A 3 -2.718 9.223 7.595 1.00 0.00 C ATOM 37 O CYS A 3 -2.798 9.778 6.520 1.00 0.00 O ATOM 38 CB CYS A 3 -4.432 7.552 6.835 1.00 0.00 C ATOM 39 SG CYS A 3 -3.757 7.347 5.172 1.00 0.00 S ATOM 0 HA CYS A 3 -2.527 7.082 7.768 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -4.981 6.654 7.119 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.145 8.377 6.841 1.00 0.00 H new ATOM 44 N GLY A 4 -2.098 9.764 8.609 1.00 0.00 N ATOM 45 CA GLY A 4 -1.469 11.115 8.472 1.00 0.00 C ATOM 46 C GLY A 4 -0.083 10.967 7.834 1.00 0.00 C ATOM 47 O GLY A 4 0.353 11.809 7.080 1.00 0.00 O ATOM 0 H GLY A 4 -1.998 9.331 9.527 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.097 11.761 7.858 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.383 11.590 9.450 1.00 0.00 H new ATOM 51 N HIS A 5 0.585 9.890 8.148 1.00 0.00 N ATOM 52 CA HIS A 5 1.952 9.644 7.582 1.00 0.00 C ATOM 53 C HIS A 5 1.932 8.471 6.595 1.00 0.00 C ATOM 54 O HIS A 5 2.693 8.427 5.647 1.00 0.00 O ATOM 55 CB HIS A 5 2.925 9.299 8.709 1.00 0.00 C ATOM 56 CG HIS A 5 4.341 9.398 8.155 1.00 0.00 C ATOM 57 ND1 HIS A 5 4.803 8.780 7.122 1.00 0.00 N ATOM 58 CD2 HIS A 5 5.395 10.145 8.611 1.00 0.00 C ATOM 59 CE1 HIS A 5 6.044 9.109 6.942 1.00 0.00 C ATOM 60 NE2 HIS A 5 6.455 9.959 7.850 1.00 0.00 N ATOM 0 H HIS A 5 0.244 9.162 8.776 1.00 0.00 H new ATOM 0 HA HIS A 5 2.268 10.551 7.066 1.00 0.00 H new ATOM 0 HB2 HIS A 5 2.795 9.983 9.547 1.00 0.00 H new ATOM 0 HB3 HIS A 5 2.732 8.294 9.085 1.00 0.00 H new ATOM 0 HD1 HIS A 5 4.274 8.133 6.537 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.362 10.795 9.473 1.00 0.00 H new ATOM 0 HE1 HIS A 5 6.663 8.729 6.142 1.00 0.00 H new ATOM 68 N VAL A 6 1.072 7.525 6.845 1.00 0.00 N ATOM 69 CA VAL A 6 0.987 6.340 5.931 1.00 0.00 C ATOM 70 C VAL A 6 0.592 6.779 4.511 1.00 0.00 C ATOM 71 O VAL A 6 1.042 6.207 3.537 1.00 0.00 O ATOM 72 CB VAL A 6 -0.038 5.329 6.471 1.00 0.00 C ATOM 73 CG1 VAL A 6 0.105 4.092 5.614 1.00 0.00 C ATOM 74 CG2 VAL A 6 0.241 5.008 7.921 1.00 0.00 C ATOM 0 H VAL A 6 0.427 7.515 7.635 1.00 0.00 H new ATOM 0 HA VAL A 6 1.968 5.866 5.888 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.051 5.729 6.427 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.601 3.333 5.950 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.101 4.344 4.574 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.121 3.706 5.699 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.496 4.291 8.283 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.239 4.580 8.013 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.181 5.921 8.514 1.00 0.00 H new ATOM 84 N ASP A 7 -0.246 7.772 4.421 1.00 0.00 N ATOM 85 CA ASP A 7 -0.701 8.309 3.097 1.00 0.00 C ATOM 86 C ASP A 7 0.505 8.607 2.184 1.00 0.00 C ATOM 87 O ASP A 7 0.595 8.195 1.046 1.00 0.00 O ATOM 88 CB ASP A 7 -1.468 9.631 3.325 1.00 0.00 C ATOM 89 CG ASP A 7 -1.904 10.209 1.983 1.00 0.00 C ATOM 90 OD1 ASP A 7 -2.808 9.611 1.447 1.00 0.00 O ATOM 91 OD2 ASP A 7 -1.354 11.195 1.518 1.00 0.00 O ATOM 0 H ASP A 7 -0.648 8.250 5.228 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.338 7.562 2.623 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -2.339 9.453 3.956 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -0.834 10.345 3.851 1.00 0.00 H new ATOM 96 N SER A 8 1.428 9.340 2.742 1.00 0.00 N ATOM 97 CA SER A 8 2.659 9.732 1.991 1.00 0.00 C ATOM 98 C SER A 8 3.596 8.530 1.782 1.00 0.00 C ATOM 99 O SER A 8 4.419 8.527 0.888 1.00 0.00 O ATOM 100 CB SER A 8 3.373 10.838 2.797 1.00 0.00 C ATOM 101 OG SER A 8 4.372 11.354 1.926 1.00 0.00 O ATOM 0 H SER A 8 1.383 9.690 3.699 1.00 0.00 H new ATOM 0 HA SER A 8 2.383 10.096 1.001 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.674 11.618 3.099 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.816 10.436 3.709 1.00 0.00 H new ATOM 0 HG SER A 8 4.866 12.068 2.381 1.00 0.00 H new ATOM 107 N LEU A 9 3.476 7.520 2.610 1.00 0.00 N ATOM 108 CA LEU A 9 4.349 6.337 2.467 1.00 0.00 C ATOM 109 C LEU A 9 3.871 5.429 1.336 1.00 0.00 C ATOM 110 O LEU A 9 4.683 4.850 0.642 1.00 0.00 O ATOM 111 CB LEU A 9 4.335 5.652 3.822 1.00 0.00 C ATOM 112 CG LEU A 9 5.238 6.407 4.840 1.00 0.00 C ATOM 113 CD1 LEU A 9 5.149 5.739 6.190 1.00 0.00 C ATOM 114 CD2 LEU A 9 6.684 6.391 4.401 1.00 0.00 C ATOM 0 H LEU A 9 2.806 7.474 3.378 1.00 0.00 H new ATOM 0 HA LEU A 9 5.367 6.610 2.190 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.314 5.608 4.200 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.681 4.624 3.717 1.00 0.00 H new ATOM 0 HG LEU A 9 4.889 7.438 4.895 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.782 6.270 6.901 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.116 5.759 6.538 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.484 4.705 6.107 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.292 6.926 5.131 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.030 5.360 4.326 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.774 6.876 3.429 1.00 0.00 H new ATOM 126 N VAL A 10 2.581 5.316 1.172 1.00 0.00 N ATOM 127 CA VAL A 10 2.013 4.454 0.078 1.00 0.00 C ATOM 128 C VAL A 10 1.832 5.264 -1.225 1.00 0.00 C ATOM 129 O VAL A 10 1.594 4.719 -2.289 1.00 0.00 O ATOM 130 CB VAL A 10 0.638 3.911 0.536 1.00 0.00 C ATOM 131 CG1 VAL A 10 0.815 3.108 1.800 1.00 0.00 C ATOM 132 CG2 VAL A 10 -0.344 5.030 0.799 1.00 0.00 C ATOM 0 H VAL A 10 1.885 5.785 1.751 1.00 0.00 H new ATOM 0 HA VAL A 10 2.703 3.634 -0.120 1.00 0.00 H new ATOM 0 HB VAL A 10 0.240 3.287 -0.264 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.152 2.724 2.125 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.491 2.275 1.610 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.234 3.744 2.580 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.298 4.610 1.118 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.046 5.680 1.582 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.490 5.608 -0.114 1.00 0.00 H new ATOM 142 N ARG A 11 1.934 6.562 -1.118 1.00 0.00 N ATOM 143 CA ARG A 11 1.774 7.440 -2.323 1.00 0.00 C ATOM 144 C ARG A 11 2.844 7.195 -3.423 1.00 0.00 C ATOM 145 O ARG A 11 2.497 7.180 -4.590 1.00 0.00 O ATOM 146 CB ARG A 11 1.796 8.934 -1.826 1.00 0.00 C ATOM 147 CG ARG A 11 0.487 9.724 -2.188 1.00 0.00 C ATOM 148 CD ARG A 11 -0.815 9.021 -1.685 1.00 0.00 C ATOM 149 NE ARG A 11 -1.730 10.041 -1.061 1.00 0.00 N ATOM 150 CZ ARG A 11 -2.858 10.395 -1.603 1.00 0.00 C ATOM 151 NH1 ARG A 11 -2.802 10.943 -2.780 1.00 0.00 N ATOM 152 NH2 ARG A 11 -3.946 10.176 -0.933 1.00 0.00 N ATOM 0 H ARG A 11 2.122 7.057 -0.246 1.00 0.00 H new ATOM 0 HA ARG A 11 0.826 7.199 -2.805 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.935 8.949 -0.745 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.654 9.444 -2.265 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.542 10.723 -1.757 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.432 9.846 -3.270 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.318 8.527 -2.516 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.566 8.248 -0.958 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.454 10.471 -0.178 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.900 11.078 -3.237 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.660 11.238 -3.247 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.899 9.739 -0.012 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.849 10.440 -1.326 1.00 0.00 H new ATOM 166 N PRO A 12 4.102 7.036 -3.071 1.00 0.00 N ATOM 167 CA PRO A 12 5.166 6.728 -4.068 1.00 0.00 C ATOM 168 C PRO A 12 4.952 5.432 -4.863 1.00 0.00 C ATOM 169 O PRO A 12 5.348 5.356 -6.010 1.00 0.00 O ATOM 170 CB PRO A 12 6.463 6.715 -3.232 1.00 0.00 C ATOM 171 CG PRO A 12 5.965 6.323 -1.821 1.00 0.00 C ATOM 172 CD PRO A 12 4.680 7.143 -1.694 1.00 0.00 C ATOM 0 HA PRO A 12 5.181 7.471 -4.865 1.00 0.00 H new ATOM 0 HB2 PRO A 12 7.185 5.996 -3.619 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.952 7.689 -3.231 1.00 0.00 H new ATOM 0 HG2 PRO A 12 5.775 5.253 -1.739 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.689 6.579 -1.048 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.009 6.735 -0.938 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.882 8.177 -1.416 1.00 0.00 H new ATOM 180 N CYS A 13 4.353 4.423 -4.270 1.00 0.00 N ATOM 181 CA CYS A 13 4.143 3.184 -5.025 1.00 0.00 C ATOM 182 C CYS A 13 3.032 3.346 -6.071 1.00 0.00 C ATOM 183 O CYS A 13 2.983 2.631 -7.052 1.00 0.00 O ATOM 184 CB CYS A 13 3.835 2.171 -4.012 1.00 0.00 C ATOM 185 SG CYS A 13 5.188 1.706 -2.910 1.00 0.00 S ATOM 0 H CYS A 13 4.011 4.420 -3.309 1.00 0.00 H new ATOM 0 HA CYS A 13 5.019 2.897 -5.606 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.008 2.536 -3.403 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.484 1.273 -4.521 1.00 0.00 H new ATOM 190 N LEU A 14 2.148 4.280 -5.855 1.00 0.00 N ATOM 191 CA LEU A 14 1.028 4.516 -6.835 1.00 0.00 C ATOM 192 C LEU A 14 1.563 4.921 -8.220 1.00 0.00 C ATOM 193 O LEU A 14 0.969 4.623 -9.241 1.00 0.00 O ATOM 194 CB LEU A 14 0.114 5.673 -6.386 1.00 0.00 C ATOM 195 CG LEU A 14 -0.864 5.263 -5.273 1.00 0.00 C ATOM 196 CD1 LEU A 14 -1.418 6.514 -4.639 1.00 0.00 C ATOM 197 CD2 LEU A 14 -2.048 4.578 -5.913 1.00 0.00 C ATOM 0 H LEU A 14 2.145 4.896 -5.042 1.00 0.00 H new ATOM 0 HA LEU A 14 0.481 3.574 -6.881 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.730 6.501 -6.035 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.451 6.037 -7.244 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.353 4.625 -4.552 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.115 6.242 -3.846 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.601 7.101 -4.219 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.939 7.104 -5.393 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.756 4.278 -5.141 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.535 5.265 -6.605 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.708 3.696 -6.456 1.00 0.00 H new ATOM 209 N SER A 15 2.675 5.611 -8.214 1.00 0.00 N ATOM 210 CA SER A 15 3.272 6.066 -9.511 1.00 0.00 C ATOM 211 C SER A 15 3.459 4.895 -10.492 1.00 0.00 C ATOM 212 O SER A 15 3.506 5.081 -11.692 1.00 0.00 O ATOM 213 CB SER A 15 4.637 6.755 -9.231 1.00 0.00 C ATOM 214 OG SER A 15 4.817 7.637 -10.337 1.00 0.00 O ATOM 0 H SER A 15 3.193 5.878 -7.377 1.00 0.00 H new ATOM 0 HA SER A 15 2.587 6.774 -9.976 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.622 7.299 -8.286 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.445 6.026 -9.167 1.00 0.00 H new ATOM 0 HG SER A 15 4.020 7.613 -10.907 1.00 0.00 H new ATOM 220 N TYR A 16 3.552 3.704 -9.968 1.00 0.00 N ATOM 221 CA TYR A 16 3.737 2.509 -10.847 1.00 0.00 C ATOM 222 C TYR A 16 2.366 1.874 -11.101 1.00 0.00 C ATOM 223 O TYR A 16 2.029 1.497 -12.208 1.00 0.00 O ATOM 224 CB TYR A 16 4.653 1.523 -10.132 1.00 0.00 C ATOM 225 CG TYR A 16 4.785 0.214 -10.932 1.00 0.00 C ATOM 226 CD1 TYR A 16 4.693 0.187 -12.313 1.00 0.00 C ATOM 227 CD2 TYR A 16 4.978 -0.976 -10.260 1.00 0.00 C ATOM 228 CE1 TYR A 16 4.781 -1.002 -12.992 1.00 0.00 C ATOM 229 CE2 TYR A 16 5.068 -2.172 -10.947 1.00 0.00 C ATOM 230 CZ TYR A 16 4.967 -2.191 -12.322 1.00 0.00 C ATOM 231 OH TYR A 16 5.012 -3.356 -13.061 1.00 0.00 O ATOM 0 H TYR A 16 3.508 3.504 -8.969 1.00 0.00 H new ATOM 0 HA TYR A 16 4.184 2.789 -11.801 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.637 1.970 -9.994 1.00 0.00 H new ATOM 0 HB3 TYR A 16 4.258 1.308 -9.139 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.551 1.108 -12.859 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.060 -0.973 -9.183 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.703 -1.006 -14.069 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.218 -3.094 -10.405 1.00 0.00 H new ATOM 0 HH TYR A 16 4.173 -3.462 -13.555 1.00 0.00 H new ATOM 241 N VAL A 17 1.614 1.767 -10.047 1.00 0.00 N ATOM 242 CA VAL A 17 0.238 1.166 -10.155 1.00 0.00 C ATOM 243 C VAL A 17 -0.618 1.887 -11.205 1.00 0.00 C ATOM 244 O VAL A 17 -1.476 1.290 -11.815 1.00 0.00 O ATOM 245 CB VAL A 17 -0.520 1.241 -8.809 1.00 0.00 C ATOM 246 CG1 VAL A 17 -1.748 0.365 -8.887 1.00 0.00 C ATOM 247 CG2 VAL A 17 0.367 0.709 -7.718 1.00 0.00 C ATOM 0 H VAL A 17 1.883 2.067 -9.110 1.00 0.00 H new ATOM 0 HA VAL A 17 0.390 0.127 -10.447 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.801 2.274 -8.603 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.289 0.412 -7.942 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.394 0.715 -9.692 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.449 -0.665 -9.083 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.159 0.758 -6.765 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.629 -0.327 -7.935 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.275 1.309 -7.662 1.00 0.00 H new ATOM 257 N GLN A 18 -0.415 3.159 -11.407 1.00 0.00 N ATOM 258 CA GLN A 18 -1.206 3.897 -12.406 1.00 0.00 C ATOM 259 C GLN A 18 -0.936 3.404 -13.837 1.00 0.00 C ATOM 260 O GLN A 18 -1.755 3.583 -14.717 1.00 0.00 O ATOM 261 CB GLN A 18 -0.849 5.367 -12.219 1.00 0.00 C ATOM 262 CG GLN A 18 0.661 5.666 -12.400 1.00 0.00 C ATOM 263 CD GLN A 18 0.960 7.165 -12.201 1.00 0.00 C ATOM 264 OE1 GLN A 18 2.089 7.558 -11.981 1.00 0.00 O ATOM 265 NE2 GLN A 18 0.004 8.043 -12.261 1.00 0.00 N ATOM 0 H GLN A 18 0.278 3.719 -10.910 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.274 3.736 -12.260 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -1.417 5.964 -12.932 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -1.157 5.683 -11.222 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.239 5.079 -11.686 1.00 0.00 H new ATOM 0 HG3 GLN A 18 0.979 5.358 -13.396 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -0.953 7.743 -12.444 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.211 9.032 -12.125 1.00 0.00 H new ATOM 274 N GLY A 19 0.206 2.796 -14.043 1.00 0.00 N ATOM 275 CA GLY A 19 0.554 2.282 -15.409 1.00 0.00 C ATOM 276 C GLY A 19 1.610 3.177 -16.057 1.00 0.00 C ATOM 277 O GLY A 19 1.552 3.464 -17.237 1.00 0.00 O ATOM 0 H GLY A 19 0.913 2.632 -13.327 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.927 1.260 -15.337 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.340 2.252 -16.033 1.00 0.00 H new ATOM 281 N GLY A 20 2.559 3.606 -15.273 1.00 0.00 N ATOM 282 CA GLY A 20 3.646 4.491 -15.806 1.00 0.00 C ATOM 283 C GLY A 20 4.997 4.060 -15.234 1.00 0.00 C ATOM 284 O GLY A 20 5.087 3.020 -14.608 1.00 0.00 O ATOM 0 H GLY A 20 2.633 3.384 -14.280 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.669 4.438 -16.894 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.444 5.529 -15.542 1.00 0.00 H new ATOM 288 N PRO A 21 6.018 4.858 -15.452 1.00 0.00 N ATOM 289 CA PRO A 21 7.373 4.556 -14.915 1.00 0.00 C ATOM 290 C PRO A 21 7.372 4.735 -13.386 1.00 0.00 C ATOM 291 O PRO A 21 6.853 5.713 -12.882 1.00 0.00 O ATOM 292 CB PRO A 21 8.275 5.538 -15.652 1.00 0.00 C ATOM 293 CG PRO A 21 7.340 6.772 -15.799 1.00 0.00 C ATOM 294 CD PRO A 21 5.999 6.135 -16.226 1.00 0.00 C ATOM 0 HA PRO A 21 7.712 3.532 -15.073 1.00 0.00 H new ATOM 0 HB2 PRO A 21 9.176 5.772 -15.085 1.00 0.00 H new ATOM 0 HB3 PRO A 21 8.598 5.151 -16.619 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.247 7.323 -14.863 1.00 0.00 H new ATOM 0 HG3 PRO A 21 7.711 7.474 -16.546 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.146 6.761 -15.965 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.950 5.963 -17.301 1.00 0.00 H new ATOM 302 N GLY A 22 7.954 3.809 -12.671 1.00 0.00 N ATOM 303 CA GLY A 22 7.980 3.926 -11.188 1.00 0.00 C ATOM 304 C GLY A 22 8.331 2.559 -10.588 1.00 0.00 C ATOM 305 O GLY A 22 8.906 1.745 -11.279 1.00 0.00 O ATOM 0 H GLY A 22 8.411 2.980 -13.051 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.714 4.672 -10.882 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.011 4.262 -10.819 1.00 0.00 H new ATOM 309 N PRO A 23 7.984 2.342 -9.341 1.00 0.00 N ATOM 310 CA PRO A 23 7.274 3.332 -8.494 1.00 0.00 C ATOM 311 C PRO A 23 8.163 4.512 -8.093 1.00 0.00 C ATOM 312 O PRO A 23 7.882 5.632 -8.466 1.00 0.00 O ATOM 313 CB PRO A 23 6.798 2.508 -7.315 1.00 0.00 C ATOM 314 CG PRO A 23 7.877 1.401 -7.173 1.00 0.00 C ATOM 315 CD PRO A 23 8.250 1.067 -8.631 1.00 0.00 C ATOM 0 HA PRO A 23 6.449 3.819 -9.014 1.00 0.00 H new ATOM 0 HB2 PRO A 23 6.723 3.111 -6.410 1.00 0.00 H new ATOM 0 HB3 PRO A 23 5.811 2.083 -7.497 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.741 1.753 -6.609 1.00 0.00 H new ATOM 0 HG3 PRO A 23 7.489 0.528 -6.649 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.293 0.764 -8.722 1.00 0.00 H new ATOM 0 HD3 PRO A 23 7.645 0.251 -9.026 1.00 0.00 H new ATOM 323 N SER A 24 9.210 4.222 -7.368 1.00 0.00 N ATOM 324 CA SER A 24 10.164 5.277 -6.885 1.00 0.00 C ATOM 325 C SER A 24 11.158 4.639 -5.929 1.00 0.00 C ATOM 326 O SER A 24 10.949 3.537 -5.454 1.00 0.00 O ATOM 327 CB SER A 24 9.379 6.353 -6.126 1.00 0.00 C ATOM 328 OG SER A 24 8.720 5.539 -5.160 1.00 0.00 O ATOM 0 H SER A 24 9.454 3.274 -7.080 1.00 0.00 H new ATOM 0 HA SER A 24 10.685 5.721 -7.733 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.029 7.099 -5.669 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.679 6.889 -6.767 1.00 0.00 H new ATOM 0 HG SER A 24 7.850 5.256 -5.510 1.00 0.00 H new ATOM 334 N GLY A 25 12.223 5.341 -5.659 1.00 0.00 N ATOM 335 CA GLY A 25 13.237 4.791 -4.716 1.00 0.00 C ATOM 336 C GLY A 25 12.639 4.888 -3.305 1.00 0.00 C ATOM 337 O GLY A 25 13.236 4.378 -2.379 1.00 0.00 O ATOM 0 H GLY A 25 12.434 6.261 -6.045 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.473 3.756 -4.964 1.00 0.00 H new ATOM 0 HA3 GLY A 25 14.168 5.354 -4.780 1.00 0.00 H new ATOM 341 N GLN A 26 11.494 5.526 -3.174 1.00 0.00 N ATOM 342 CA GLN A 26 10.878 5.639 -1.804 1.00 0.00 C ATOM 343 C GLN A 26 9.778 4.577 -1.663 1.00 0.00 C ATOM 344 O GLN A 26 9.396 4.258 -0.555 1.00 0.00 O ATOM 345 CB GLN A 26 10.269 7.050 -1.581 1.00 0.00 C ATOM 346 CG GLN A 26 11.415 8.086 -1.459 1.00 0.00 C ATOM 347 CD GLN A 26 10.903 9.340 -0.740 1.00 0.00 C ATOM 348 OE1 GLN A 26 10.011 10.027 -1.185 1.00 0.00 O ATOM 349 NE2 GLN A 26 11.426 9.695 0.394 1.00 0.00 N ATOM 0 H GLN A 26 10.971 5.963 -3.933 1.00 0.00 H new ATOM 0 HA GLN A 26 11.655 5.481 -1.056 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.613 7.312 -2.411 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.658 7.057 -0.678 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.251 7.655 -0.908 1.00 0.00 H new ATOM 0 HG3 GLN A 26 11.787 8.349 -2.449 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.180 9.143 0.803 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.083 10.526 0.876 1.00 0.00 H new ATOM 358 N CYS A 27 9.278 4.048 -2.752 1.00 0.00 N ATOM 359 CA CYS A 27 8.220 2.995 -2.635 1.00 0.00 C ATOM 360 C CYS A 27 8.760 1.831 -1.791 1.00 0.00 C ATOM 361 O CYS A 27 8.043 1.253 -1.005 1.00 0.00 O ATOM 362 CB CYS A 27 7.846 2.515 -4.027 1.00 0.00 C ATOM 363 SG CYS A 27 6.701 1.116 -4.112 1.00 0.00 S ATOM 0 H CYS A 27 9.551 4.294 -3.704 1.00 0.00 H new ATOM 0 HA CYS A 27 7.333 3.400 -2.149 1.00 0.00 H new ATOM 0 HB2 CYS A 27 7.406 3.351 -4.570 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.761 2.240 -4.552 1.00 0.00 H new ATOM 368 N CYS A 28 10.019 1.518 -1.944 1.00 0.00 N ATOM 369 CA CYS A 28 10.579 0.387 -1.142 1.00 0.00 C ATOM 370 C CYS A 28 11.010 0.846 0.239 1.00 0.00 C ATOM 371 O CYS A 28 10.464 0.393 1.217 1.00 0.00 O ATOM 372 CB CYS A 28 11.748 -0.209 -1.923 1.00 0.00 C ATOM 373 SG CYS A 28 11.160 -1.300 -3.232 1.00 0.00 S ATOM 0 H CYS A 28 10.673 1.983 -2.574 1.00 0.00 H new ATOM 0 HA CYS A 28 9.813 -0.372 -0.985 1.00 0.00 H new ATOM 0 HB2 CYS A 28 12.348 0.592 -2.354 1.00 0.00 H new ATOM 0 HB3 CYS A 28 12.397 -0.764 -1.246 1.00 0.00 H new ATOM 378 N ASP A 29 11.950 1.739 0.330 1.00 0.00 N ATOM 379 CA ASP A 29 12.388 2.205 1.679 1.00 0.00 C ATOM 380 C ASP A 29 11.214 2.825 2.434 1.00 0.00 C ATOM 381 O ASP A 29 11.120 2.687 3.637 1.00 0.00 O ATOM 382 CB ASP A 29 13.493 3.263 1.550 1.00 0.00 C ATOM 383 CG ASP A 29 14.488 3.038 2.713 1.00 0.00 C ATOM 384 OD1 ASP A 29 14.963 1.920 2.889 1.00 0.00 O ATOM 385 OD2 ASP A 29 14.726 4.017 3.391 1.00 0.00 O ATOM 0 H ASP A 29 12.433 2.166 -0.461 1.00 0.00 H new ATOM 0 HA ASP A 29 12.766 1.340 2.224 1.00 0.00 H new ATOM 0 HB2 ASP A 29 14.000 3.174 0.589 1.00 0.00 H new ATOM 0 HB3 ASP A 29 13.070 4.267 1.595 1.00 0.00 H new ATOM 390 N GLY A 30 10.340 3.477 1.721 1.00 0.00 N ATOM 391 CA GLY A 30 9.158 4.128 2.362 1.00 0.00 C ATOM 392 C GLY A 30 8.136 3.099 2.853 1.00 0.00 C ATOM 393 O GLY A 30 7.737 3.099 4.008 1.00 0.00 O ATOM 0 H GLY A 30 10.393 3.589 0.709 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.491 4.738 3.202 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.682 4.800 1.648 1.00 0.00 H new ATOM 397 N VAL A 31 7.723 2.215 1.985 1.00 0.00 N ATOM 398 CA VAL A 31 6.718 1.195 2.416 1.00 0.00 C ATOM 399 C VAL A 31 7.382 0.162 3.345 1.00 0.00 C ATOM 400 O VAL A 31 6.741 -0.272 4.283 1.00 0.00 O ATOM 401 CB VAL A 31 6.119 0.605 1.106 1.00 0.00 C ATOM 402 CG1 VAL A 31 5.017 -0.376 1.403 1.00 0.00 C ATOM 403 CG2 VAL A 31 5.471 1.730 0.333 1.00 0.00 C ATOM 0 H VAL A 31 8.029 2.152 1.014 1.00 0.00 H new ATOM 0 HA VAL A 31 5.905 1.611 3.011 1.00 0.00 H new ATOM 0 HB VAL A 31 6.925 0.115 0.559 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.619 -0.770 0.468 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.412 -1.195 2.004 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.221 0.126 1.953 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.044 1.338 -0.590 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.682 2.178 0.936 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.219 2.486 0.095 1.00 0.00 H new ATOM 413 N LYS A 32 8.615 -0.205 3.089 1.00 0.00 N ATOM 414 CA LYS A 32 9.364 -1.190 3.935 1.00 0.00 C ATOM 415 C LYS A 32 9.277 -0.665 5.377 1.00 0.00 C ATOM 416 O LYS A 32 8.940 -1.383 6.307 1.00 0.00 O ATOM 417 CB LYS A 32 10.841 -1.227 3.447 1.00 0.00 C ATOM 418 CG LYS A 32 11.726 -2.184 4.272 1.00 0.00 C ATOM 419 CD LYS A 32 13.252 -2.012 3.909 1.00 0.00 C ATOM 420 CE LYS A 32 13.845 -0.714 4.557 1.00 0.00 C ATOM 421 NZ LYS A 32 15.309 -0.515 4.262 1.00 0.00 N ATOM 0 H LYS A 32 9.153 0.151 2.299 1.00 0.00 H new ATOM 0 HA LYS A 32 8.957 -2.199 3.873 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.864 -1.531 2.401 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.259 -0.222 3.496 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.579 -1.993 5.335 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.420 -3.214 4.088 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.811 -2.882 4.254 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.368 -1.967 2.826 1.00 0.00 H new ATOM 0 HE2 LYS A 32 13.288 0.151 4.196 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.702 -0.757 5.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 15.837 -0.444 5.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 15.665 -1.323 3.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 15.437 0.360 3.714 1.00 0.00 H new ATOM 435 N ASN A 33 9.563 0.609 5.515 1.00 0.00 N ATOM 436 CA ASN A 33 9.517 1.248 6.868 1.00 0.00 C ATOM 437 C ASN A 33 8.122 1.134 7.448 1.00 0.00 C ATOM 438 O ASN A 33 7.958 0.709 8.570 1.00 0.00 O ATOM 439 CB ASN A 33 9.897 2.720 6.751 1.00 0.00 C ATOM 440 CG ASN A 33 11.364 2.845 7.106 1.00 0.00 C ATOM 441 OD1 ASN A 33 11.745 2.824 8.254 1.00 0.00 O ATOM 442 ND2 ASN A 33 12.232 2.965 6.160 1.00 0.00 N ATOM 0 H ASN A 33 9.825 1.232 4.751 1.00 0.00 H new ATOM 0 HA ASN A 33 10.222 0.739 7.525 1.00 0.00 H new ATOM 0 HB2 ASN A 33 9.716 3.083 5.739 1.00 0.00 H new ATOM 0 HB3 ASN A 33 9.288 3.327 7.421 1.00 0.00 H new ATOM 0 HD21 ASN A 33 13.224 3.041 6.385 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.927 2.984 5.187 1.00 0.00 H new ATOM 449 N LEU A 34 7.143 1.502 6.678 1.00 0.00 N ATOM 450 CA LEU A 34 5.720 1.429 7.138 1.00 0.00 C ATOM 451 C LEU A 34 5.408 0.015 7.638 1.00 0.00 C ATOM 452 O LEU A 34 5.056 -0.194 8.779 1.00 0.00 O ATOM 453 CB LEU A 34 4.796 1.774 5.939 1.00 0.00 C ATOM 454 CG LEU A 34 3.290 1.670 6.321 1.00 0.00 C ATOM 455 CD1 LEU A 34 2.900 2.833 7.202 1.00 0.00 C ATOM 456 CD2 LEU A 34 2.452 1.614 5.066 1.00 0.00 C ATOM 0 H LEU A 34 7.264 1.858 5.730 1.00 0.00 H new ATOM 0 HA LEU A 34 5.556 2.134 7.953 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.014 2.784 5.591 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.008 1.098 5.110 1.00 0.00 H new ATOM 0 HG LEU A 34 3.114 0.754 6.885 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.845 2.753 7.465 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.502 2.819 8.110 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.071 3.768 6.668 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.398 1.541 5.335 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.615 2.518 4.479 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.737 0.742 4.477 1.00 0.00 H new ATOM 468 N HIS A 35 5.569 -0.934 6.756 1.00 0.00 N ATOM 469 CA HIS A 35 5.290 -2.363 7.110 1.00 0.00 C ATOM 470 C HIS A 35 5.981 -2.750 8.424 1.00 0.00 C ATOM 471 O HIS A 35 5.349 -3.236 9.342 1.00 0.00 O ATOM 472 CB HIS A 35 5.797 -3.278 5.996 1.00 0.00 C ATOM 473 CG HIS A 35 5.372 -4.729 6.292 1.00 0.00 C ATOM 474 ND1 HIS A 35 5.062 -5.216 7.453 1.00 0.00 N ATOM 475 CD2 HIS A 35 5.229 -5.806 5.436 1.00 0.00 C ATOM 476 CE1 HIS A 35 4.755 -6.469 7.339 1.00 0.00 C ATOM 477 NE2 HIS A 35 4.845 -6.879 6.099 1.00 0.00 N ATOM 0 H HIS A 35 5.884 -0.783 5.798 1.00 0.00 H new ATOM 0 HA HIS A 35 4.213 -2.477 7.231 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.393 -2.958 5.035 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.883 -3.213 5.923 1.00 0.00 H new ATOM 0 HD1 HIS A 35 5.060 -4.690 8.327 1.00 0.00 H new ATOM 0 HD2 HIS A 35 5.407 -5.773 4.371 1.00 0.00 H new ATOM 0 HE1 HIS A 35 4.461 -7.099 8.166 1.00 0.00 H new ATOM 485 N ASN A 36 7.262 -2.531 8.465 1.00 0.00 N ATOM 486 CA ASN A 36 8.086 -2.849 9.672 1.00 0.00 C ATOM 487 C ASN A 36 7.539 -2.117 10.906 1.00 0.00 C ATOM 488 O ASN A 36 7.445 -2.690 11.975 1.00 0.00 O ATOM 489 CB ASN A 36 9.545 -2.387 9.373 1.00 0.00 C ATOM 490 CG ASN A 36 10.555 -2.883 10.422 1.00 0.00 C ATOM 491 OD1 ASN A 36 10.566 -2.486 11.572 1.00 0.00 O ATOM 492 ND2 ASN A 36 11.440 -3.764 10.067 1.00 0.00 N ATOM 0 H ASN A 36 7.793 -2.133 7.690 1.00 0.00 H new ATOM 0 HA ASN A 36 8.055 -3.918 9.884 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.842 -2.751 8.389 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.575 -1.298 9.333 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.121 -4.105 10.746 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.455 -4.115 9.109 1.00 0.00 H new ATOM 499 N GLN A 37 7.228 -0.859 10.722 1.00 0.00 N ATOM 500 CA GLN A 37 6.688 -0.017 11.824 1.00 0.00 C ATOM 501 C GLN A 37 5.334 -0.545 12.293 1.00 0.00 C ATOM 502 O GLN A 37 5.042 -0.532 13.473 1.00 0.00 O ATOM 503 CB GLN A 37 6.580 1.412 11.283 1.00 0.00 C ATOM 504 CG GLN A 37 5.980 2.331 12.362 1.00 0.00 C ATOM 505 CD GLN A 37 6.120 3.798 11.962 1.00 0.00 C ATOM 506 OE1 GLN A 37 6.595 4.114 10.794 1.00 0.00 O flip ATOM 507 NE2 GLN A 37 5.799 4.695 12.712 1.00 0.00 N flip ATOM 0 H GLN A 37 7.330 -0.372 9.831 1.00 0.00 H new ATOM 0 HA GLN A 37 7.345 -0.041 12.693 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.565 1.775 10.989 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.955 1.427 10.390 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.928 2.088 12.509 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.483 2.159 13.314 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.423 4.478 13.635 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.905 5.667 12.420 1.00 0.00 H new ATOM 516 N ALA A 38 4.549 -1.011 11.366 1.00 0.00 N ATOM 517 CA ALA A 38 3.201 -1.548 11.719 1.00 0.00 C ATOM 518 C ALA A 38 3.248 -2.889 12.469 1.00 0.00 C ATOM 519 O ALA A 38 2.940 -3.945 11.933 1.00 0.00 O ATOM 520 CB ALA A 38 2.430 -1.680 10.426 1.00 0.00 C ATOM 0 H ALA A 38 4.781 -1.045 10.373 1.00 0.00 H new ATOM 0 HA ALA A 38 2.716 -0.860 12.412 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.434 -2.071 10.635 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.344 -0.702 9.952 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.955 -2.363 9.758 1.00 0.00 H new ATOM 526 N ARG A 39 3.606 -2.812 13.727 1.00 0.00 N ATOM 527 CA ARG A 39 3.687 -4.068 14.530 1.00 0.00 C ATOM 528 C ARG A 39 2.400 -4.316 15.319 1.00 0.00 C ATOM 529 O ARG A 39 2.316 -5.276 16.055 1.00 0.00 O ATOM 530 CB ARG A 39 4.917 -3.961 15.471 1.00 0.00 C ATOM 531 CG ARG A 39 6.186 -4.121 14.590 1.00 0.00 C ATOM 532 CD ARG A 39 7.474 -4.298 15.441 1.00 0.00 C ATOM 533 NE ARG A 39 8.076 -2.948 15.708 1.00 0.00 N ATOM 534 CZ ARG A 39 9.259 -2.702 15.216 1.00 0.00 C ATOM 535 NH1 ARG A 39 9.341 -2.655 13.922 1.00 0.00 N ATOM 536 NH2 ARG A 39 10.271 -2.530 16.016 1.00 0.00 N ATOM 0 H ARG A 39 3.841 -1.952 14.223 1.00 0.00 H new ATOM 0 HA ARG A 39 3.805 -4.922 13.863 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.925 -3.000 15.986 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.882 -4.734 16.239 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.065 -4.983 13.934 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.294 -3.246 13.949 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.238 -4.797 16.381 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.188 -4.931 14.915 1.00 0.00 H new ATOM 0 HE ARG A 39 7.577 -2.247 16.256 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.509 -2.806 13.352 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.238 -2.467 13.474 1.00 0.00 H new ATOM 0 HH21 ARG A 39 10.138 -2.588 17.026 1.00 0.00 H new ATOM 0 HH22 ARG A 39 11.197 -2.338 15.633 1.00 0.00 H new ATOM 550 N SER A 40 1.419 -3.465 15.158 1.00 0.00 N ATOM 551 CA SER A 40 0.127 -3.641 15.895 1.00 0.00 C ATOM 552 C SER A 40 -0.981 -3.935 14.870 1.00 0.00 C ATOM 553 O SER A 40 -0.717 -4.104 13.694 1.00 0.00 O ATOM 554 CB SER A 40 -0.198 -2.321 16.681 1.00 0.00 C ATOM 555 OG SER A 40 -0.615 -1.350 15.714 1.00 0.00 O ATOM 0 H SER A 40 1.456 -2.651 14.545 1.00 0.00 H new ATOM 0 HA SER A 40 0.197 -4.467 16.603 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.983 -2.494 17.417 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.679 -1.971 17.226 1.00 0.00 H new ATOM 0 HG SER A 40 -1.522 -1.045 15.927 1.00 0.00 H new ATOM 561 N GLN A 41 -2.202 -4.010 15.329 1.00 0.00 N ATOM 562 CA GLN A 41 -3.339 -4.280 14.391 1.00 0.00 C ATOM 563 C GLN A 41 -3.773 -2.890 13.873 1.00 0.00 C ATOM 564 O GLN A 41 -4.157 -2.733 12.729 1.00 0.00 O ATOM 565 CB GLN A 41 -4.495 -4.989 15.170 1.00 0.00 C ATOM 566 CG GLN A 41 -5.591 -5.490 14.177 1.00 0.00 C ATOM 567 CD GLN A 41 -6.661 -6.304 14.917 1.00 0.00 C ATOM 568 OE1 GLN A 41 -7.816 -5.943 15.009 1.00 0.00 O ATOM 569 NE2 GLN A 41 -6.333 -7.430 15.476 1.00 0.00 N ATOM 0 H GLN A 41 -2.464 -3.897 16.308 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.065 -4.936 13.565 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -4.097 -5.830 15.738 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.935 -4.298 15.889 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.054 -4.638 13.679 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.133 -6.103 13.401 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.372 -7.766 15.420 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.037 -7.978 15.971 1.00 0.00 H new ATOM 578 N SER A 42 -3.674 -1.895 14.712 1.00 0.00 N ATOM 579 CA SER A 42 -4.065 -0.513 14.328 1.00 0.00 C ATOM 580 C SER A 42 -3.249 0.007 13.148 1.00 0.00 C ATOM 581 O SER A 42 -3.817 0.589 12.250 1.00 0.00 O ATOM 582 CB SER A 42 -3.876 0.401 15.587 1.00 0.00 C ATOM 583 OG SER A 42 -3.045 -0.324 16.508 1.00 0.00 O ATOM 0 H SER A 42 -3.331 -1.987 15.668 1.00 0.00 H new ATOM 0 HA SER A 42 -5.105 -0.507 14.001 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.412 1.348 15.311 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.839 0.638 16.040 1.00 0.00 H new ATOM 0 HG SER A 42 -2.900 0.216 17.313 1.00 0.00 H new ATOM 589 N ASP A 43 -1.957 -0.212 13.164 1.00 0.00 N ATOM 590 CA ASP A 43 -1.154 0.303 12.017 1.00 0.00 C ATOM 591 C ASP A 43 -1.393 -0.514 10.738 1.00 0.00 C ATOM 592 O ASP A 43 -1.164 -0.054 9.639 1.00 0.00 O ATOM 593 CB ASP A 43 0.359 0.300 12.364 1.00 0.00 C ATOM 594 CG ASP A 43 1.018 1.421 11.509 1.00 0.00 C ATOM 595 OD1 ASP A 43 0.411 1.938 10.586 1.00 0.00 O ATOM 596 OD2 ASP A 43 2.145 1.745 11.822 1.00 0.00 O ATOM 0 H ASP A 43 -1.441 -0.706 13.892 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.481 1.326 11.831 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.512 0.484 13.427 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.805 -0.669 12.141 1.00 0.00 H new ATOM 601 N ARG A 44 -1.879 -1.714 10.884 1.00 0.00 N ATOM 602 CA ARG A 44 -2.138 -2.566 9.678 1.00 0.00 C ATOM 603 C ARG A 44 -3.551 -2.239 9.159 1.00 0.00 C ATOM 604 O ARG A 44 -3.789 -2.259 7.971 1.00 0.00 O ATOM 605 CB ARG A 44 -1.976 -4.093 10.100 1.00 0.00 C ATOM 606 CG ARG A 44 -0.726 -4.698 9.350 1.00 0.00 C ATOM 607 CD ARG A 44 0.211 -5.552 10.254 1.00 0.00 C ATOM 608 NE ARG A 44 -0.493 -6.768 10.797 1.00 0.00 N ATOM 609 CZ ARG A 44 -0.416 -7.157 12.044 1.00 0.00 C ATOM 610 NH1 ARG A 44 0.521 -6.669 12.819 1.00 0.00 N ATOM 611 NH2 ARG A 44 -1.289 -8.033 12.448 1.00 0.00 N ATOM 0 H ARG A 44 -2.109 -2.145 11.779 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.431 -2.370 8.872 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.845 -4.174 11.179 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.876 -4.652 9.845 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.077 -5.316 8.524 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.148 -3.883 8.915 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.085 -5.863 9.681 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.573 -4.942 11.081 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.063 -7.320 10.156 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.186 -5.989 12.449 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.586 -6.969 13.792 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.994 -8.386 11.801 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.269 -8.366 13.412 1.00 0.00 H new ATOM 625 N GLN A 45 -4.475 -1.957 10.037 1.00 0.00 N ATOM 626 CA GLN A 45 -5.858 -1.621 9.593 1.00 0.00 C ATOM 627 C GLN A 45 -5.855 -0.155 9.095 1.00 0.00 C ATOM 628 O GLN A 45 -6.439 0.147 8.074 1.00 0.00 O ATOM 629 CB GLN A 45 -6.810 -1.834 10.812 1.00 0.00 C ATOM 630 CG GLN A 45 -7.795 -3.031 10.561 1.00 0.00 C ATOM 631 CD GLN A 45 -7.273 -4.384 11.085 1.00 0.00 C ATOM 632 OE1 GLN A 45 -6.094 -4.670 11.084 1.00 0.00 O ATOM 633 NE2 GLN A 45 -8.129 -5.254 11.540 1.00 0.00 N ATOM 0 H GLN A 45 -4.331 -1.945 11.047 1.00 0.00 H new ATOM 0 HA GLN A 45 -6.204 -2.253 8.775 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.220 -2.027 11.708 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -7.380 -0.923 10.995 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.750 -2.810 11.038 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.986 -3.115 9.491 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.125 -5.033 11.549 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -7.804 -6.156 11.887 1.00 0.00 H new ATOM 642 N SER A 46 -5.186 0.729 9.796 1.00 0.00 N ATOM 643 CA SER A 46 -5.152 2.164 9.355 1.00 0.00 C ATOM 644 C SER A 46 -4.460 2.300 8.002 1.00 0.00 C ATOM 645 O SER A 46 -5.019 2.860 7.078 1.00 0.00 O ATOM 646 CB SER A 46 -4.399 3.009 10.377 1.00 0.00 C ATOM 647 OG SER A 46 -5.146 2.782 11.557 1.00 0.00 O ATOM 0 H SER A 46 -4.665 0.523 10.648 1.00 0.00 H new ATOM 0 HA SER A 46 -6.181 2.512 9.269 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.362 2.691 10.484 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.383 4.063 10.101 1.00 0.00 H new ATOM 0 HG SER A 46 -4.744 2.044 12.061 1.00 0.00 H new ATOM 653 N ALA A 47 -3.264 1.777 7.905 1.00 0.00 N ATOM 654 CA ALA A 47 -2.531 1.875 6.606 1.00 0.00 C ATOM 655 C ALA A 47 -3.395 1.302 5.479 1.00 0.00 C ATOM 656 O ALA A 47 -3.434 1.866 4.408 1.00 0.00 O ATOM 657 CB ALA A 47 -1.226 1.144 6.807 1.00 0.00 C ATOM 0 H ALA A 47 -2.770 1.294 8.655 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.320 2.903 6.310 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.643 1.181 5.887 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.664 1.617 7.612 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.427 0.105 7.067 1.00 0.00 H new ATOM 663 N CYS A 48 -4.081 0.217 5.715 1.00 0.00 N ATOM 664 CA CYS A 48 -4.954 -0.374 4.650 1.00 0.00 C ATOM 665 C CYS A 48 -5.901 0.708 4.095 1.00 0.00 C ATOM 666 O CYS A 48 -5.986 0.927 2.897 1.00 0.00 O ATOM 667 CB CYS A 48 -5.785 -1.508 5.252 1.00 0.00 C ATOM 668 SG CYS A 48 -7.012 -2.304 4.184 1.00 0.00 S ATOM 0 H CYS A 48 -4.077 -0.290 6.600 1.00 0.00 H new ATOM 0 HA CYS A 48 -4.330 -0.759 3.843 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.098 -2.277 5.606 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -6.304 -1.117 6.127 1.00 0.00 H new ATOM 0 HG CYS A 48 -7.623 -3.240 4.848 1.00 0.00 H new ATOM 673 N ASN A 49 -6.584 1.366 5.000 1.00 0.00 N ATOM 674 CA ASN A 49 -7.543 2.446 4.587 1.00 0.00 C ATOM 675 C ASN A 49 -6.877 3.471 3.671 1.00 0.00 C ATOM 676 O ASN A 49 -7.499 3.985 2.769 1.00 0.00 O ATOM 677 CB ASN A 49 -8.084 3.128 5.841 1.00 0.00 C ATOM 678 CG ASN A 49 -8.861 2.102 6.618 1.00 0.00 C ATOM 679 OD1 ASN A 49 -8.447 1.790 7.792 1.00 0.00 O flip ATOM 680 ND2 ASN A 49 -9.858 1.563 6.178 1.00 0.00 N flip ATOM 0 H ASN A 49 -6.521 1.205 6.005 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.359 1.994 4.024 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -7.267 3.526 6.443 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.723 3.970 5.574 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.198 1.802 5.246 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.355 0.872 6.740 1.00 0.00 H new ATOM 687 N CYS A 50 -5.627 3.742 3.924 1.00 0.00 N ATOM 688 CA CYS A 50 -4.885 4.729 3.079 1.00 0.00 C ATOM 689 C CYS A 50 -4.873 4.281 1.618 1.00 0.00 C ATOM 690 O CYS A 50 -5.150 5.060 0.733 1.00 0.00 O ATOM 691 CB CYS A 50 -3.444 4.842 3.560 1.00 0.00 C ATOM 692 SG CYS A 50 -3.123 5.434 5.232 1.00 0.00 S ATOM 0 H CYS A 50 -5.084 3.324 4.679 1.00 0.00 H new ATOM 0 HA CYS A 50 -5.387 5.693 3.162 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -2.988 3.856 3.467 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.918 5.503 2.871 1.00 0.00 H new ATOM 697 N LEU A 51 -4.559 3.034 1.394 1.00 0.00 N ATOM 698 CA LEU A 51 -4.516 2.514 -0.006 1.00 0.00 C ATOM 699 C LEU A 51 -5.938 2.278 -0.520 1.00 0.00 C ATOM 700 O LEU A 51 -6.280 2.736 -1.596 1.00 0.00 O ATOM 701 CB LEU A 51 -3.732 1.184 -0.067 1.00 0.00 C ATOM 702 CG LEU A 51 -2.256 1.315 0.436 1.00 0.00 C ATOM 703 CD1 LEU A 51 -2.183 1.077 1.923 1.00 0.00 C ATOM 704 CD2 LEU A 51 -1.371 0.310 -0.251 1.00 0.00 C ATOM 0 H LEU A 51 -4.330 2.352 2.118 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.016 3.255 -0.630 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.249 0.437 0.535 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.728 0.819 -1.094 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.915 2.324 0.205 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.150 1.172 2.256 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.800 1.812 2.440 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.547 0.075 2.149 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.349 0.417 0.112 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.729 -0.697 -0.036 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.393 0.481 -1.327 1.00 0.00 H new ATOM 716 N LYS A 52 -6.725 1.584 0.258 1.00 0.00 N ATOM 717 CA LYS A 52 -8.148 1.266 -0.095 1.00 0.00 C ATOM 718 C LYS A 52 -8.910 2.578 -0.392 1.00 0.00 C ATOM 719 O LYS A 52 -9.562 2.723 -1.412 1.00 0.00 O ATOM 720 CB LYS A 52 -8.740 0.499 1.149 1.00 0.00 C ATOM 721 CG LYS A 52 -10.102 -0.216 0.893 1.00 0.00 C ATOM 722 CD LYS A 52 -10.735 -0.641 2.265 1.00 0.00 C ATOM 723 CE LYS A 52 -12.054 -1.448 2.069 1.00 0.00 C ATOM 724 NZ LYS A 52 -11.784 -2.830 1.547 1.00 0.00 N ATOM 0 H LYS A 52 -6.431 1.208 1.160 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.234 0.649 -0.989 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -8.013 -0.243 1.479 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.867 1.207 1.968 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.780 0.450 0.358 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.952 -1.092 0.262 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.020 -1.244 2.824 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.938 0.248 2.862 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.585 -1.514 3.019 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.706 -0.917 1.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.684 -3.338 1.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -11.299 -2.766 0.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -11.182 -3.344 2.221 1.00 0.00 H new ATOM 738 N GLY A 53 -8.795 3.506 0.517 1.00 0.00 N ATOM 739 CA GLY A 53 -9.474 4.831 0.384 1.00 0.00 C ATOM 740 C GLY A 53 -9.010 5.505 -0.906 1.00 0.00 C ATOM 741 O GLY A 53 -9.813 6.052 -1.635 1.00 0.00 O ATOM 0 H GLY A 53 -8.245 3.400 1.369 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -10.556 4.699 0.371 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -9.240 5.461 1.242 1.00 0.00 H new ATOM 745 N ILE A 54 -7.731 5.445 -1.171 1.00 0.00 N ATOM 746 CA ILE A 54 -7.199 6.077 -2.418 1.00 0.00 C ATOM 747 C ILE A 54 -7.731 5.352 -3.656 1.00 0.00 C ATOM 748 O ILE A 54 -8.440 5.931 -4.446 1.00 0.00 O ATOM 749 CB ILE A 54 -5.631 6.018 -2.394 1.00 0.00 C ATOM 750 CG1 ILE A 54 -5.070 7.045 -1.369 1.00 0.00 C ATOM 751 CG2 ILE A 54 -5.076 6.277 -3.777 1.00 0.00 C ATOM 752 CD1 ILE A 54 -3.548 6.806 -1.130 1.00 0.00 C ATOM 0 H ILE A 54 -7.034 4.989 -0.582 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.528 7.115 -2.462 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.319 5.021 -2.083 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.231 8.059 -1.736 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.610 6.958 -0.426 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.987 6.233 -3.746 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.450 5.521 -4.467 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.390 7.264 -4.116 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.174 7.534 -0.410 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.394 5.799 -0.741 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.010 6.917 -2.071 1.00 0.00 H new ATOM 764 N ALA A 55 -7.379 4.104 -3.793 1.00 0.00 N ATOM 765 CA ALA A 55 -7.828 3.287 -4.960 1.00 0.00 C ATOM 766 C ALA A 55 -9.319 3.521 -5.259 1.00 0.00 C ATOM 767 O ALA A 55 -9.744 3.645 -6.399 1.00 0.00 O ATOM 768 CB ALA A 55 -7.569 1.846 -4.605 1.00 0.00 C ATOM 0 H ALA A 55 -6.786 3.603 -3.131 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.284 3.569 -5.861 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.882 1.206 -5.430 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.505 1.703 -4.418 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.133 1.585 -3.709 1.00 0.00 H new ATOM 774 N ARG A 56 -10.089 3.597 -4.201 1.00 0.00 N ATOM 775 CA ARG A 56 -11.558 3.817 -4.359 1.00 0.00 C ATOM 776 C ARG A 56 -11.916 5.060 -5.178 1.00 0.00 C ATOM 777 O ARG A 56 -12.975 5.100 -5.778 1.00 0.00 O ATOM 778 CB ARG A 56 -12.232 3.920 -2.944 1.00 0.00 C ATOM 779 CG ARG A 56 -13.801 4.100 -3.065 1.00 0.00 C ATOM 780 CD ARG A 56 -14.421 2.978 -3.959 1.00 0.00 C ATOM 781 NE ARG A 56 -15.922 3.090 -3.987 1.00 0.00 N ATOM 782 CZ ARG A 56 -16.652 2.109 -3.550 1.00 0.00 C ATOM 783 NH1 ARG A 56 -16.542 0.967 -4.157 1.00 0.00 N ATOM 784 NH2 ARG A 56 -17.440 2.325 -2.542 1.00 0.00 N ATOM 0 H ARG A 56 -9.764 3.516 -3.238 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.935 2.958 -4.914 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -12.010 3.022 -2.367 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -11.808 4.763 -2.398 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -14.252 4.072 -2.073 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -14.028 5.077 -3.491 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -14.027 3.054 -4.972 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -14.131 1.999 -3.576 1.00 0.00 H new ATOM 0 HE ARG A 56 -16.365 3.935 -4.349 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -15.901 0.867 -4.944 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -17.097 0.169 -3.847 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -17.476 3.249 -2.112 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -18.024 1.571 -2.180 1.00 0.00 H new ATOM 798 N GLY A 57 -11.051 6.034 -5.205 1.00 0.00 N ATOM 799 CA GLY A 57 -11.336 7.280 -5.979 1.00 0.00 C ATOM 800 C GLY A 57 -10.554 7.305 -7.289 1.00 0.00 C ATOM 801 O GLY A 57 -10.281 8.371 -7.805 1.00 0.00 O ATOM 0 H GLY A 57 -10.153 6.023 -4.722 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -12.404 7.345 -6.188 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -11.075 8.152 -5.379 1.00 0.00 H new ATOM 805 N ILE A 58 -10.204 6.145 -7.792 1.00 0.00 N ATOM 806 CA ILE A 58 -9.442 6.087 -9.083 1.00 0.00 C ATOM 807 C ILE A 58 -10.281 5.338 -10.126 1.00 0.00 C ATOM 808 O ILE A 58 -10.314 5.740 -11.272 1.00 0.00 O ATOM 809 CB ILE A 58 -8.069 5.365 -8.848 1.00 0.00 C ATOM 810 CG1 ILE A 58 -7.332 6.111 -7.683 1.00 0.00 C ATOM 811 CG2 ILE A 58 -7.250 5.445 -10.118 1.00 0.00 C ATOM 812 CD1 ILE A 58 -5.882 5.583 -7.475 1.00 0.00 C ATOM 0 H ILE A 58 -10.411 5.240 -7.369 1.00 0.00 H new ATOM 0 HA ILE A 58 -9.243 7.094 -9.449 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.213 4.317 -8.587 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.301 7.179 -7.899 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.898 5.989 -6.759 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.293 4.946 -9.966 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.789 4.957 -10.930 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -7.077 6.490 -10.374 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.410 6.129 -6.658 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.913 4.521 -7.232 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.307 5.729 -8.389 1.00 0.00 H new ATOM 824 N HIS A 59 -10.925 4.275 -9.717 1.00 0.00 N ATOM 825 CA HIS A 59 -11.793 3.451 -10.637 1.00 0.00 C ATOM 826 C HIS A 59 -10.910 2.665 -11.628 1.00 0.00 C ATOM 827 O HIS A 59 -10.863 1.451 -11.582 1.00 0.00 O ATOM 828 CB HIS A 59 -12.779 4.390 -11.412 1.00 0.00 C ATOM 829 CG HIS A 59 -13.904 3.566 -12.036 1.00 0.00 C ATOM 830 ND1 HIS A 59 -14.838 2.957 -11.379 1.00 0.00 N ATOM 831 CD2 HIS A 59 -14.180 3.292 -13.362 1.00 0.00 C ATOM 832 CE1 HIS A 59 -15.629 2.356 -12.212 1.00 0.00 C ATOM 833 NE2 HIS A 59 -15.256 2.537 -13.454 1.00 0.00 N ATOM 0 H HIS A 59 -10.889 3.928 -8.758 1.00 0.00 H new ATOM 0 HA HIS A 59 -12.372 2.740 -10.047 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -13.196 5.134 -10.733 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.241 4.934 -12.189 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -13.599 3.645 -14.201 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -16.491 1.776 -11.917 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -15.698 2.176 -14.300 1.00 0.00 H new ATOM 841 N ASN A 60 -10.219 3.360 -12.489 1.00 0.00 N ATOM 842 CA ASN A 60 -9.328 2.701 -13.502 1.00 0.00 C ATOM 843 C ASN A 60 -7.935 2.493 -12.885 1.00 0.00 C ATOM 844 O ASN A 60 -7.056 3.305 -13.098 1.00 0.00 O ATOM 845 CB ASN A 60 -9.241 3.625 -14.751 1.00 0.00 C ATOM 846 CG ASN A 60 -8.145 3.160 -15.723 1.00 0.00 C ATOM 847 OD1 ASN A 60 -8.226 2.104 -16.311 1.00 0.00 O ATOM 848 ND2 ASN A 60 -7.098 3.902 -15.929 1.00 0.00 N ATOM 0 H ASN A 60 -10.231 4.379 -12.538 1.00 0.00 H new ATOM 0 HA ASN A 60 -9.726 1.730 -13.798 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.203 3.636 -15.264 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.037 4.648 -14.434 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.371 3.590 -16.572 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.004 4.796 -15.447 1.00 0.00 H new ATOM 855 N LEU A 61 -7.766 1.434 -12.140 1.00 0.00 N ATOM 856 CA LEU A 61 -6.444 1.144 -11.498 1.00 0.00 C ATOM 857 C LEU A 61 -5.780 -0.059 -12.191 1.00 0.00 C ATOM 858 O LEU A 61 -6.382 -0.699 -13.034 1.00 0.00 O ATOM 859 CB LEU A 61 -6.693 0.829 -10.011 1.00 0.00 C ATOM 860 CG LEU A 61 -6.162 1.955 -9.108 1.00 0.00 C ATOM 861 CD1 LEU A 61 -6.699 1.713 -7.721 1.00 0.00 C ATOM 862 CD2 LEU A 61 -4.653 1.920 -9.048 1.00 0.00 C ATOM 0 H LEU A 61 -8.494 0.747 -11.945 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.780 2.003 -11.592 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.761 0.694 -9.839 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.207 -0.111 -9.749 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.476 2.922 -9.502 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.342 2.495 -7.051 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.789 1.726 -7.745 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.356 0.743 -7.362 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.296 2.724 -8.405 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.327 0.961 -8.645 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.246 2.050 -10.051 1.00 0.00 H new ATOM 874 N ASN A 62 -4.554 -0.340 -11.826 1.00 0.00 N ATOM 875 CA ASN A 62 -3.825 -1.491 -12.440 1.00 0.00 C ATOM 876 C ASN A 62 -3.423 -2.499 -11.340 1.00 0.00 C ATOM 877 O ASN A 62 -2.555 -2.207 -10.531 1.00 0.00 O ATOM 878 CB ASN A 62 -2.585 -0.951 -13.128 1.00 0.00 C ATOM 879 CG ASN A 62 -1.948 -2.034 -13.939 1.00 0.00 C ATOM 880 OD1 ASN A 62 -1.522 -3.021 -13.391 1.00 0.00 O ATOM 881 ND2 ASN A 62 -1.859 -1.901 -15.224 1.00 0.00 N ATOM 0 H ASN A 62 -4.025 0.181 -11.126 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.461 -2.002 -13.162 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.850 -0.111 -13.770 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.880 -0.576 -12.386 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.425 -2.635 -15.784 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.223 -1.062 -15.676 1.00 0.00 H new ATOM 888 N GLU A 63 -4.038 -3.659 -11.324 1.00 0.00 N ATOM 889 CA GLU A 63 -3.679 -4.677 -10.271 1.00 0.00 C ATOM 890 C GLU A 63 -2.317 -5.299 -10.607 1.00 0.00 C ATOM 891 O GLU A 63 -1.541 -5.588 -9.712 1.00 0.00 O ATOM 892 CB GLU A 63 -4.787 -5.818 -10.171 1.00 0.00 C ATOM 893 CG GLU A 63 -5.645 -5.681 -8.833 1.00 0.00 C ATOM 894 CD GLU A 63 -5.033 -6.381 -7.592 1.00 0.00 C ATOM 895 OE1 GLU A 63 -3.827 -6.533 -7.520 1.00 0.00 O ATOM 896 OE2 GLU A 63 -5.800 -6.755 -6.715 1.00 0.00 O ATOM 0 H GLU A 63 -4.763 -3.947 -11.982 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.627 -4.173 -9.306 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.448 -5.762 -11.036 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.307 -6.796 -10.199 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.774 -4.622 -8.608 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.638 -6.093 -9.012 1.00 0.00 H new ATOM 903 N ASP A 64 -2.043 -5.464 -11.874 1.00 0.00 N ATOM 904 CA ASP A 64 -0.746 -6.062 -12.318 1.00 0.00 C ATOM 905 C ASP A 64 0.440 -5.311 -11.688 1.00 0.00 C ATOM 906 O ASP A 64 1.339 -5.918 -11.151 1.00 0.00 O ATOM 907 CB ASP A 64 -0.801 -6.011 -13.882 1.00 0.00 C ATOM 908 CG ASP A 64 0.575 -6.079 -14.523 1.00 0.00 C ATOM 909 OD1 ASP A 64 1.062 -7.189 -14.648 1.00 0.00 O ATOM 910 OD2 ASP A 64 1.044 -5.003 -14.851 1.00 0.00 O ATOM 0 H ASP A 64 -2.673 -5.206 -12.634 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.599 -7.091 -11.991 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.408 -6.840 -14.247 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.297 -5.092 -14.194 1.00 0.00 H new ATOM 915 N ASN A 65 0.423 -4.012 -11.744 1.00 0.00 N ATOM 916 CA ASN A 65 1.541 -3.214 -11.157 1.00 0.00 C ATOM 917 C ASN A 65 1.433 -3.231 -9.621 1.00 0.00 C ATOM 918 O ASN A 65 2.425 -3.441 -8.943 1.00 0.00 O ATOM 919 CB ASN A 65 1.453 -1.793 -11.733 1.00 0.00 C ATOM 920 CG ASN A 65 1.688 -1.819 -13.254 1.00 0.00 C ATOM 921 OD1 ASN A 65 2.534 -2.519 -13.771 1.00 0.00 O ATOM 922 ND2 ASN A 65 0.962 -1.056 -14.015 1.00 0.00 N ATOM 0 H ASN A 65 -0.320 -3.461 -12.173 1.00 0.00 H new ATOM 0 HA ASN A 65 2.513 -3.636 -11.412 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.474 -1.365 -11.516 1.00 0.00 H new ATOM 0 HB3 ASN A 65 2.194 -1.152 -11.254 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.109 -1.054 -15.024 1.00 0.00 H new ATOM 0 HD22 ASN A 65 0.245 -0.459 -13.603 1.00 0.00 H new ATOM 929 N ALA A 66 0.243 -3.009 -9.110 1.00 0.00 N ATOM 930 CA ALA A 66 0.020 -3.011 -7.621 1.00 0.00 C ATOM 931 C ALA A 66 0.658 -4.250 -6.961 1.00 0.00 C ATOM 932 O ALA A 66 1.305 -4.160 -5.928 1.00 0.00 O ATOM 933 CB ALA A 66 -1.463 -3.032 -7.336 1.00 0.00 C ATOM 0 H ALA A 66 -0.593 -2.824 -9.664 1.00 0.00 H new ATOM 0 HA ALA A 66 0.482 -2.113 -7.211 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.626 -3.034 -6.258 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.930 -2.149 -7.773 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -1.904 -3.929 -7.771 1.00 0.00 H new ATOM 939 N ARG A 67 0.426 -5.380 -7.580 1.00 0.00 N ATOM 940 CA ARG A 67 0.975 -6.661 -7.071 1.00 0.00 C ATOM 941 C ARG A 67 2.466 -6.759 -7.426 1.00 0.00 C ATOM 942 O ARG A 67 3.186 -7.483 -6.765 1.00 0.00 O ATOM 943 CB ARG A 67 0.163 -7.797 -7.728 1.00 0.00 C ATOM 944 CG ARG A 67 -0.386 -8.800 -6.705 1.00 0.00 C ATOM 945 CD ARG A 67 -1.370 -8.164 -5.684 1.00 0.00 C ATOM 946 NE ARG A 67 -2.196 -9.289 -5.113 1.00 0.00 N ATOM 947 CZ ARG A 67 -3.503 -9.243 -5.178 1.00 0.00 C ATOM 948 NH1 ARG A 67 -4.036 -8.722 -6.241 1.00 0.00 N ATOM 949 NH2 ARG A 67 -4.199 -9.713 -4.182 1.00 0.00 N ATOM 0 H ARG A 67 -0.131 -5.464 -8.430 1.00 0.00 H new ATOM 0 HA ARG A 67 0.894 -6.730 -5.986 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.666 -7.367 -8.290 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.795 -8.323 -8.444 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -0.894 -9.606 -7.234 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.447 -9.249 -6.164 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.826 -7.645 -4.895 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -2.007 -7.425 -6.170 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.736 -10.087 -4.675 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.440 -8.366 -6.988 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -5.051 -8.668 -6.329 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.725 -10.108 -3.370 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -5.218 -9.686 -4.214 1.00 0.00 H new ATOM 963 N SER A 68 2.893 -6.028 -8.429 1.00 0.00 N ATOM 964 CA SER A 68 4.334 -6.076 -8.835 1.00 0.00 C ATOM 965 C SER A 68 5.225 -5.173 -7.992 1.00 0.00 C ATOM 966 O SER A 68 6.426 -5.187 -8.174 1.00 0.00 O ATOM 967 CB SER A 68 4.463 -5.679 -10.295 1.00 0.00 C ATOM 968 OG SER A 68 3.862 -6.796 -10.924 1.00 0.00 O ATOM 0 H SER A 68 2.308 -5.402 -8.982 1.00 0.00 H new ATOM 0 HA SER A 68 4.672 -7.100 -8.677 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.942 -4.748 -10.518 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.502 -5.543 -10.597 1.00 0.00 H new ATOM 0 HG SER A 68 2.951 -6.564 -11.202 1.00 0.00 H new ATOM 974 N ILE A 69 4.654 -4.419 -7.091 1.00 0.00 N ATOM 975 CA ILE A 69 5.459 -3.513 -6.210 1.00 0.00 C ATOM 976 C ILE A 69 6.214 -4.378 -5.152 1.00 0.00 C ATOM 977 O ILE A 69 7.431 -4.370 -5.101 1.00 0.00 O ATOM 978 CB ILE A 69 4.461 -2.505 -5.542 1.00 0.00 C ATOM 979 CG1 ILE A 69 3.909 -1.525 -6.586 1.00 0.00 C ATOM 980 CG2 ILE A 69 5.142 -1.732 -4.437 1.00 0.00 C ATOM 981 CD1 ILE A 69 2.660 -0.842 -5.984 1.00 0.00 C ATOM 0 H ILE A 69 3.648 -4.390 -6.923 1.00 0.00 H new ATOM 0 HA ILE A 69 6.208 -2.953 -6.770 1.00 0.00 H new ATOM 0 HB ILE A 69 3.637 -3.079 -5.118 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.662 -0.781 -6.847 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.650 -2.052 -7.504 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.432 -1.038 -3.987 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.503 -2.425 -3.677 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.983 -1.174 -4.848 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.246 -0.138 -6.706 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.912 -1.598 -5.744 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.940 -0.307 -5.076 1.00 0.00 H new ATOM 993 N PRO A 70 5.505 -5.121 -4.332 1.00 0.00 N ATOM 994 CA PRO A 70 6.178 -5.941 -3.294 1.00 0.00 C ATOM 995 C PRO A 70 7.203 -6.989 -3.781 1.00 0.00 C ATOM 996 O PRO A 70 8.229 -7.078 -3.133 1.00 0.00 O ATOM 997 CB PRO A 70 4.994 -6.545 -2.486 1.00 0.00 C ATOM 998 CG PRO A 70 3.790 -6.531 -3.452 1.00 0.00 C ATOM 999 CD PRO A 70 4.009 -5.260 -4.278 1.00 0.00 C ATOM 0 HA PRO A 70 6.844 -5.319 -2.695 1.00 0.00 H new ATOM 0 HB2 PRO A 70 5.221 -7.559 -2.155 1.00 0.00 H new ATOM 0 HB3 PRO A 70 4.788 -5.956 -1.592 1.00 0.00 H new ATOM 0 HG2 PRO A 70 3.770 -7.420 -4.082 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.843 -6.501 -2.913 1.00 0.00 H new ATOM 0 HD2 PRO A 70 3.580 -5.352 -5.276 1.00 0.00 H new ATOM 0 HD3 PRO A 70 3.543 -4.393 -3.809 1.00 0.00 H new ATOM 1007 N PRO A 71 6.955 -7.739 -4.842 1.00 0.00 N ATOM 1008 CA PRO A 71 7.937 -8.743 -5.338 1.00 0.00 C ATOM 1009 C PRO A 71 9.261 -8.099 -5.754 1.00 0.00 C ATOM 1010 O PRO A 71 10.300 -8.445 -5.229 1.00 0.00 O ATOM 1011 CB PRO A 71 7.212 -9.451 -6.500 1.00 0.00 C ATOM 1012 CG PRO A 71 6.219 -8.386 -6.998 1.00 0.00 C ATOM 1013 CD PRO A 71 5.735 -7.739 -5.693 1.00 0.00 C ATOM 0 HA PRO A 71 8.232 -9.453 -4.565 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.907 -9.751 -7.284 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.700 -10.353 -6.165 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.699 -7.661 -7.656 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.397 -8.830 -7.559 1.00 0.00 H new ATOM 0 HD2 PRO A 71 5.360 -6.729 -5.859 1.00 0.00 H new ATOM 0 HD3 PRO A 71 4.926 -8.309 -5.237 1.00 0.00 H new ATOM 1021 N LYS A 72 9.192 -7.171 -6.676 1.00 0.00 N ATOM 1022 CA LYS A 72 10.437 -6.488 -7.147 1.00 0.00 C ATOM 1023 C LYS A 72 11.197 -5.846 -6.001 1.00 0.00 C ATOM 1024 O LYS A 72 12.407 -5.756 -6.024 1.00 0.00 O ATOM 1025 CB LYS A 72 10.079 -5.399 -8.189 1.00 0.00 C ATOM 1026 CG LYS A 72 9.061 -4.332 -7.692 1.00 0.00 C ATOM 1027 CD LYS A 72 9.721 -3.162 -6.907 1.00 0.00 C ATOM 1028 CE LYS A 72 10.479 -2.220 -7.845 1.00 0.00 C ATOM 1029 NZ LYS A 72 11.334 -1.318 -7.010 1.00 0.00 N ATOM 0 H LYS A 72 8.330 -6.857 -7.122 1.00 0.00 H new ATOM 0 HA LYS A 72 11.075 -7.248 -7.598 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.995 -4.893 -8.494 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.672 -5.884 -9.076 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.524 -3.926 -8.550 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.322 -4.816 -7.053 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.954 -2.604 -6.370 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.406 -3.563 -6.160 1.00 0.00 H new ATOM 0 HE2 LYS A 72 11.094 -2.790 -8.541 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.780 -1.635 -8.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 11.142 -0.327 -7.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.118 -1.468 -6.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 12.337 -1.531 -7.184 1.00 0.00 H new ATOM 1043 N CYS A 73 10.449 -5.400 -5.036 1.00 0.00 N ATOM 1044 CA CYS A 73 11.057 -4.746 -3.852 1.00 0.00 C ATOM 1045 C CYS A 73 11.696 -5.774 -2.905 1.00 0.00 C ATOM 1046 O CYS A 73 12.832 -5.626 -2.500 1.00 0.00 O ATOM 1047 CB CYS A 73 9.928 -3.992 -3.214 1.00 0.00 C ATOM 1048 SG CYS A 73 10.382 -2.721 -2.026 1.00 0.00 S ATOM 0 H CYS A 73 9.431 -5.462 -5.018 1.00 0.00 H new ATOM 0 HA CYS A 73 11.877 -4.079 -4.119 1.00 0.00 H new ATOM 0 HB2 CYS A 73 9.340 -3.526 -4.004 1.00 0.00 H new ATOM 0 HB3 CYS A 73 9.278 -4.710 -2.714 1.00 0.00 H new ATOM 1053 N GLY A 74 10.937 -6.783 -2.572 1.00 0.00 N ATOM 1054 CA GLY A 74 11.436 -7.851 -1.652 1.00 0.00 C ATOM 1055 C GLY A 74 10.901 -7.499 -0.269 1.00 0.00 C ATOM 1056 O GLY A 74 11.582 -7.645 0.725 1.00 0.00 O ATOM 0 H GLY A 74 9.981 -6.916 -2.901 1.00 0.00 H new ATOM 0 HA2 GLY A 74 11.085 -8.833 -1.968 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.525 -7.887 -1.651 1.00 0.00 H new ATOM 1060 N VAL A 75 9.683 -7.032 -0.261 1.00 0.00 N ATOM 1061 CA VAL A 75 9.006 -6.629 1.008 1.00 0.00 C ATOM 1062 C VAL A 75 7.760 -7.466 1.265 1.00 0.00 C ATOM 1063 O VAL A 75 7.489 -7.811 2.393 1.00 0.00 O ATOM 1064 CB VAL A 75 8.749 -5.095 0.831 1.00 0.00 C ATOM 1065 CG1 VAL A 75 7.613 -4.572 1.670 1.00 0.00 C ATOM 1066 CG2 VAL A 75 10.000 -4.354 1.231 1.00 0.00 C ATOM 0 H VAL A 75 9.115 -6.910 -1.099 1.00 0.00 H new ATOM 0 HA VAL A 75 9.602 -6.810 1.902 1.00 0.00 H new ATOM 0 HB VAL A 75 8.482 -4.937 -0.214 1.00 0.00 H new ATOM 0 HG11 VAL A 75 7.494 -3.503 1.495 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.692 -5.089 1.399 1.00 0.00 H new ATOM 0 HG13 VAL A 75 7.829 -4.745 2.724 1.00 0.00 H new ATOM 0 HG21 VAL A 75 9.841 -3.282 1.115 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.237 -4.575 2.272 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.828 -4.669 0.596 1.00 0.00 H new ATOM 1076 N ASN A 76 7.035 -7.772 0.225 1.00 0.00 N ATOM 1077 CA ASN A 76 5.794 -8.595 0.368 1.00 0.00 C ATOM 1078 C ASN A 76 4.789 -7.968 1.360 1.00 0.00 C ATOM 1079 O ASN A 76 4.676 -8.397 2.492 1.00 0.00 O ATOM 1080 CB ASN A 76 6.210 -9.983 0.841 1.00 0.00 C ATOM 1081 CG ASN A 76 5.062 -10.914 0.462 1.00 0.00 C ATOM 1082 OD1 ASN A 76 5.069 -11.528 -0.584 1.00 0.00 O ATOM 1083 ND2 ASN A 76 4.050 -11.033 1.265 1.00 0.00 N ATOM 0 H ASN A 76 7.249 -7.485 -0.730 1.00 0.00 H new ATOM 0 HA ASN A 76 5.286 -8.646 -0.595 1.00 0.00 H new ATOM 0 HB2 ASN A 76 7.140 -10.295 0.366 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.383 -9.994 1.917 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.269 -11.639 1.015 1.00 0.00 H new ATOM 0 HD22 ASN A 76 4.036 -10.520 2.147 1.00 0.00 H new ATOM 1090 N LEU A 77 4.059 -6.981 0.911 1.00 0.00 N ATOM 1091 CA LEU A 77 3.064 -6.312 1.822 1.00 0.00 C ATOM 1092 C LEU A 77 1.792 -7.157 1.913 1.00 0.00 C ATOM 1093 O LEU A 77 1.471 -7.852 0.967 1.00 0.00 O ATOM 1094 CB LEU A 77 2.650 -4.889 1.272 1.00 0.00 C ATOM 1095 CG LEU A 77 3.084 -3.729 2.212 1.00 0.00 C ATOM 1096 CD1 LEU A 77 4.584 -3.644 2.310 1.00 0.00 C ATOM 1097 CD2 LEU A 77 2.541 -2.396 1.752 1.00 0.00 C ATOM 0 H LEU A 77 4.102 -6.607 -0.037 1.00 0.00 H new ATOM 0 HA LEU A 77 3.537 -6.207 2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.097 -4.740 0.289 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.569 -4.857 1.138 1.00 0.00 H new ATOM 0 HG LEU A 77 2.668 -3.953 3.194 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.859 -2.824 2.974 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.976 -4.580 2.707 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.004 -3.466 1.320 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.868 -1.614 2.437 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.911 -2.179 0.750 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.452 -2.433 1.737 1.00 0.00 H new ATOM 1109 N PRO A 78 1.093 -7.070 3.032 1.00 0.00 N ATOM 1110 CA PRO A 78 -0.204 -7.762 3.203 1.00 0.00 C ATOM 1111 C PRO A 78 -1.286 -7.129 2.333 1.00 0.00 C ATOM 1112 O PRO A 78 -2.345 -7.710 2.200 1.00 0.00 O ATOM 1113 CB PRO A 78 -0.523 -7.666 4.696 1.00 0.00 C ATOM 1114 CG PRO A 78 0.115 -6.312 5.082 1.00 0.00 C ATOM 1115 CD PRO A 78 1.445 -6.314 4.276 1.00 0.00 C ATOM 0 HA PRO A 78 -0.159 -8.803 2.883 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.597 -7.678 4.884 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -0.091 -8.494 5.258 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.523 -5.472 4.807 1.00 0.00 H new ATOM 0 HG3 PRO A 78 0.293 -6.240 6.155 1.00 0.00 H new ATOM 0 HD2 PRO A 78 1.780 -5.302 4.050 1.00 0.00 H new ATOM 0 HD3 PRO A 78 2.249 -6.800 4.828 1.00 0.00 H new ATOM 1123 N TYR A 79 -1.035 -5.973 1.760 1.00 0.00 N ATOM 1124 CA TYR A 79 -2.051 -5.296 0.887 1.00 0.00 C ATOM 1125 C TYR A 79 -1.401 -4.192 0.062 1.00 0.00 C ATOM 1126 O TYR A 79 -0.272 -3.819 0.314 1.00 0.00 O ATOM 1127 CB TYR A 79 -3.195 -4.660 1.702 1.00 0.00 C ATOM 1128 CG TYR A 79 -2.733 -3.848 2.904 1.00 0.00 C ATOM 1129 CD1 TYR A 79 -1.863 -2.785 2.788 1.00 0.00 C ATOM 1130 CD2 TYR A 79 -3.215 -4.198 4.146 1.00 0.00 C ATOM 1131 CE1 TYR A 79 -1.486 -2.083 3.900 1.00 0.00 C ATOM 1132 CE2 TYR A 79 -2.835 -3.492 5.258 1.00 0.00 C ATOM 1133 CZ TYR A 79 -1.968 -2.435 5.134 1.00 0.00 C ATOM 1134 OH TYR A 79 -1.576 -1.722 6.234 1.00 0.00 O ATOM 0 H TYR A 79 -0.157 -5.463 1.862 1.00 0.00 H new ATOM 0 HA TYR A 79 -2.461 -6.073 0.242 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -3.778 -4.015 1.045 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.862 -5.450 2.047 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.479 -2.506 1.818 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -3.895 -5.032 4.244 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.807 -1.249 3.805 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -3.217 -3.767 6.230 1.00 0.00 H new ATOM 0 HH TYR A 79 -2.252 -1.809 6.938 1.00 0.00 H new ATOM 1144 N THR A 80 -2.112 -3.699 -0.913 1.00 0.00 N ATOM 1145 CA THR A 80 -1.575 -2.618 -1.803 1.00 0.00 C ATOM 1146 C THR A 80 -2.721 -1.665 -2.201 1.00 0.00 C ATOM 1147 O THR A 80 -3.685 -1.513 -1.475 1.00 0.00 O ATOM 1148 CB THR A 80 -0.901 -3.404 -3.025 1.00 0.00 C ATOM 1149 OG1 THR A 80 -0.536 -2.548 -4.109 1.00 0.00 O ATOM 1150 CG2 THR A 80 -1.843 -4.394 -3.662 1.00 0.00 C ATOM 0 H THR A 80 -3.060 -4.001 -1.139 1.00 0.00 H new ATOM 0 HA THR A 80 -0.833 -1.970 -1.337 1.00 0.00 H new ATOM 0 HB THR A 80 -0.034 -3.879 -2.566 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.085 -3.019 -4.703 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.337 -4.900 -4.485 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.154 -5.129 -2.920 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.719 -3.869 -4.042 1.00 0.00 H new ATOM 1158 N ILE A 81 -2.584 -1.066 -3.350 1.00 0.00 N ATOM 1159 CA ILE A 81 -3.606 -0.115 -3.875 1.00 0.00 C ATOM 1160 C ILE A 81 -4.713 -0.945 -4.589 1.00 0.00 C ATOM 1161 O ILE A 81 -4.810 -0.978 -5.803 1.00 0.00 O ATOM 1162 CB ILE A 81 -2.892 0.863 -4.876 1.00 0.00 C ATOM 1163 CG1 ILE A 81 -1.692 1.655 -4.238 1.00 0.00 C ATOM 1164 CG2 ILE A 81 -3.887 1.873 -5.396 1.00 0.00 C ATOM 1165 CD1 ILE A 81 -0.448 0.789 -3.891 1.00 0.00 C ATOM 0 H ILE A 81 -1.782 -1.200 -3.966 1.00 0.00 H new ATOM 0 HA ILE A 81 -4.065 0.472 -3.079 1.00 0.00 H new ATOM 0 HB ILE A 81 -2.492 0.236 -5.673 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -1.388 2.442 -4.927 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -2.041 2.145 -3.329 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.389 2.550 -6.090 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.696 1.355 -5.912 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -4.295 2.444 -4.562 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.326 1.422 -3.457 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.730 0.017 -3.175 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.067 0.320 -4.798 1.00 0.00 H new ATOM 1177 N SER A 82 -5.539 -1.606 -3.823 1.00 0.00 N ATOM 1178 CA SER A 82 -6.643 -2.443 -4.423 1.00 0.00 C ATOM 1179 C SER A 82 -7.790 -2.583 -3.420 1.00 0.00 C ATOM 1180 O SER A 82 -7.808 -1.888 -2.421 1.00 0.00 O ATOM 1181 CB SER A 82 -6.075 -3.867 -4.814 1.00 0.00 C ATOM 1182 OG SER A 82 -7.127 -4.587 -5.470 1.00 0.00 O ATOM 0 H SER A 82 -5.504 -1.608 -2.804 1.00 0.00 H new ATOM 0 HA SER A 82 -7.023 -1.956 -5.321 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.211 -3.768 -5.471 1.00 0.00 H new ATOM 0 HB3 SER A 82 -5.740 -4.403 -3.926 1.00 0.00 H new ATOM 0 HG SER A 82 -6.751 -5.364 -5.935 1.00 0.00 H new