USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 567 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 35 HIS : no HD1:sc= -0.719 K(o=-0.72,f=0) USER MOD Set 1.2: A 51 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.00939) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot -10:sc= -1.66 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0.00317 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 GLN : amide:sc= -0.0264 K(o=-0.026,f=-1.1) USER MOD Single : A 25 ASN : amide:sc= -0.348 K(o=-0.35,f=-3.4!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 141:sc= -0.656 (180deg=-1.78!) USER MOD Single : A 46 SER OG : rot 180:sc=-0.00715 USER MOD Single : A 48 ASN : amide:sc=-0.00909 X(o=-0.0091,f=-0.26) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 22:sc= 0.517 USER MOD Single : A 65 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 68 ASN : amide:sc= -0.127 K(o=-0.13,f=-2.2!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -67:sc= 0.83 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 48:sc= 0.61 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.313 -14.303 4.392 1.00 0.00 N ATOM 2 CA GLY A 1 -20.446 -13.886 3.305 1.00 0.00 C ATOM 3 C GLY A 1 -20.262 -12.382 3.254 1.00 0.00 C ATOM 4 O GLY A 1 -21.108 -11.664 2.722 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.407 -15.339 4.384 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.903 -14.000 5.299 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.251 -13.870 4.274 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.473 -14.364 3.417 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.864 -14.230 2.359 1.00 0.00 H new ATOM 8 N SER A 2 -19.154 -11.904 3.812 1.00 0.00 N ATOM 9 CA SER A 2 -18.864 -10.475 3.833 1.00 0.00 C ATOM 10 C SER A 2 -17.390 -10.215 3.538 1.00 0.00 C ATOM 11 O SER A 2 -16.570 -11.132 3.563 1.00 0.00 O ATOM 12 CB SER A 2 -19.238 -9.877 5.191 1.00 0.00 C ATOM 13 OG SER A 2 -18.391 -10.370 6.215 1.00 0.00 O ATOM 0 H SER A 2 -18.443 -12.485 4.255 1.00 0.00 H new ATOM 0 HA SER A 2 -19.461 -9.997 3.057 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.165 -8.790 5.146 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.275 -10.118 5.425 1.00 0.00 H new ATOM 0 HG SER A 2 -18.649 -9.972 7.073 1.00 0.00 H new ATOM 19 N SER A 3 -17.062 -8.958 3.258 1.00 0.00 N ATOM 20 CA SER A 3 -15.688 -8.576 2.954 1.00 0.00 C ATOM 21 C SER A 3 -15.217 -7.458 3.879 1.00 0.00 C ATOM 22 O SER A 3 -15.981 -6.556 4.219 1.00 0.00 O ATOM 23 CB SER A 3 -15.571 -8.130 1.496 1.00 0.00 C ATOM 24 OG SER A 3 -15.468 -9.246 0.628 1.00 0.00 O ATOM 0 H SER A 3 -17.729 -8.187 3.235 1.00 0.00 H new ATOM 0 HA SER A 3 -15.052 -9.447 3.112 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.441 -7.533 1.224 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.696 -7.491 1.377 1.00 0.00 H new ATOM 0 HG SER A 3 -15.396 -8.934 -0.298 1.00 0.00 H new ATOM 30 N GLY A 4 -13.952 -7.525 4.283 1.00 0.00 N ATOM 31 CA GLY A 4 -13.401 -6.514 5.165 1.00 0.00 C ATOM 32 C GLY A 4 -12.797 -7.107 6.423 1.00 0.00 C ATOM 33 O GLY A 4 -11.664 -6.790 6.786 1.00 0.00 O ATOM 0 H GLY A 4 -13.299 -8.262 4.015 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.637 -5.948 4.631 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.186 -5.810 5.440 1.00 0.00 H new ATOM 37 N SER A 5 -13.556 -7.971 7.091 1.00 0.00 N ATOM 38 CA SER A 5 -13.091 -8.606 8.318 1.00 0.00 C ATOM 39 C SER A 5 -11.662 -9.116 8.159 1.00 0.00 C ATOM 40 O SER A 5 -10.803 -8.863 9.004 1.00 0.00 O ATOM 41 CB SER A 5 -14.017 -9.762 8.701 1.00 0.00 C ATOM 42 OG SER A 5 -13.828 -10.140 10.054 1.00 0.00 O ATOM 0 H SER A 5 -14.495 -8.247 6.803 1.00 0.00 H new ATOM 0 HA SER A 5 -13.105 -7.859 9.112 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.055 -9.468 8.544 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.826 -10.616 8.051 1.00 0.00 H new ATOM 0 HG SER A 5 -14.432 -10.879 10.275 1.00 0.00 H new ATOM 48 N SER A 6 -11.415 -9.835 7.069 1.00 0.00 N ATOM 49 CA SER A 6 -10.092 -10.385 6.799 1.00 0.00 C ATOM 50 C SER A 6 -9.040 -9.281 6.773 1.00 0.00 C ATOM 51 O SER A 6 -8.182 -9.204 7.652 1.00 0.00 O ATOM 52 CB SER A 6 -10.091 -11.137 5.466 1.00 0.00 C ATOM 53 OG SER A 6 -9.031 -12.076 5.412 1.00 0.00 O ATOM 0 H SER A 6 -12.114 -10.050 6.358 1.00 0.00 H new ATOM 0 HA SER A 6 -9.844 -11.081 7.601 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.043 -11.651 5.334 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.995 -10.427 4.644 1.00 0.00 H new ATOM 0 HG SER A 6 -9.053 -12.545 4.552 1.00 0.00 H new ATOM 59 N GLY A 7 -9.113 -8.426 5.757 1.00 0.00 N ATOM 60 CA GLY A 7 -8.161 -7.337 5.635 1.00 0.00 C ATOM 61 C GLY A 7 -8.705 -6.181 4.818 1.00 0.00 C ATOM 62 O GLY A 7 -9.711 -6.323 4.123 1.00 0.00 O ATOM 0 H GLY A 7 -9.814 -8.468 5.017 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.892 -6.980 6.629 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.247 -7.708 5.171 1.00 0.00 H new ATOM 66 N ARG A 8 -8.040 -5.034 4.902 1.00 0.00 N ATOM 67 CA ARG A 8 -8.464 -3.849 4.167 1.00 0.00 C ATOM 68 C ARG A 8 -7.521 -3.566 3.001 1.00 0.00 C ATOM 69 O ARG A 8 -6.363 -3.986 3.009 1.00 0.00 O ATOM 70 CB ARG A 8 -8.518 -2.637 5.099 1.00 0.00 C ATOM 71 CG ARG A 8 -9.817 -2.528 5.881 1.00 0.00 C ATOM 72 CD ARG A 8 -10.896 -1.822 5.073 1.00 0.00 C ATOM 73 NE ARG A 8 -12.213 -1.949 5.691 1.00 0.00 N ATOM 74 CZ ARG A 8 -13.348 -1.648 5.070 1.00 0.00 C ATOM 75 NH1 ARG A 8 -13.327 -1.205 3.821 1.00 0.00 N ATOM 76 NH2 ARG A 8 -14.508 -1.790 5.699 1.00 0.00 N ATOM 0 H ARG A 8 -7.205 -4.900 5.472 1.00 0.00 H new ATOM 0 HA ARG A 8 -9.461 -4.037 3.768 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -7.685 -2.691 5.800 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.381 -1.730 4.510 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.161 -3.525 6.157 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.640 -1.983 6.808 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.642 -0.767 4.974 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.926 -2.239 4.066 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.264 -2.287 6.652 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -12.438 -1.094 3.334 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -14.200 -0.975 3.347 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -14.529 -2.131 6.660 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -15.379 -1.559 5.221 1.00 0.00 H new ATOM 90 N LEU A 9 -8.024 -2.851 2.001 1.00 0.00 N ATOM 91 CA LEU A 9 -7.226 -2.512 0.827 1.00 0.00 C ATOM 92 C LEU A 9 -6.960 -1.011 0.765 1.00 0.00 C ATOM 93 O LEU A 9 -7.573 -0.231 1.495 1.00 0.00 O ATOM 94 CB LEU A 9 -7.939 -2.968 -0.447 1.00 0.00 C ATOM 95 CG LEU A 9 -7.917 -4.471 -0.728 1.00 0.00 C ATOM 96 CD1 LEU A 9 -6.538 -4.906 -1.196 1.00 0.00 C ATOM 97 CD2 LEU A 9 -8.333 -5.250 0.512 1.00 0.00 C ATOM 0 H LEU A 9 -8.980 -2.495 1.979 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.270 -3.029 0.906 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.978 -2.644 -0.393 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.488 -2.454 -1.296 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.631 -4.684 -1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.541 -5.978 -1.391 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.279 -4.372 -2.110 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.803 -4.680 -0.423 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.312 -6.318 0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.643 -5.032 1.327 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.342 -4.959 0.803 1.00 0.00 H new ATOM 109 N CYS A 10 -6.045 -0.614 -0.112 1.00 0.00 N ATOM 110 CA CYS A 10 -5.698 0.794 -0.271 1.00 0.00 C ATOM 111 C CYS A 10 -4.980 1.031 -1.595 1.00 0.00 C ATOM 112 O CYS A 10 -4.659 0.088 -2.318 1.00 0.00 O ATOM 113 CB CYS A 10 -4.818 1.258 0.891 1.00 0.00 C ATOM 114 SG CYS A 10 -3.635 0.016 1.463 1.00 0.00 S ATOM 0 H CYS A 10 -5.530 -1.247 -0.724 1.00 0.00 H new ATOM 0 HA CYS A 10 -6.622 1.373 -0.271 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -4.272 2.151 0.585 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -5.458 1.546 1.725 1.00 0.00 H new ATOM 0 HG CYS A 10 -3.899 -1.126 0.901 1.00 0.00 H new ATOM 120 N LYS A 11 -4.732 2.298 -1.909 1.00 0.00 N ATOM 121 CA LYS A 11 -4.052 2.662 -3.147 1.00 0.00 C ATOM 122 C LYS A 11 -2.817 3.509 -2.860 1.00 0.00 C ATOM 123 O LYS A 11 -2.894 4.518 -2.159 1.00 0.00 O ATOM 124 CB LYS A 11 -5.004 3.424 -4.071 1.00 0.00 C ATOM 125 CG LYS A 11 -4.338 3.949 -5.331 1.00 0.00 C ATOM 126 CD LYS A 11 -4.449 2.956 -6.475 1.00 0.00 C ATOM 127 CE LYS A 11 -5.705 3.193 -7.300 1.00 0.00 C ATOM 128 NZ LYS A 11 -5.521 2.785 -8.720 1.00 0.00 N ATOM 0 H LYS A 11 -4.992 3.091 -1.323 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.734 1.744 -3.641 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.827 2.767 -4.352 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.437 4.261 -3.523 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.799 4.893 -5.621 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.287 4.157 -5.129 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.571 3.038 -7.116 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.460 1.941 -6.077 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.535 2.635 -6.866 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.974 4.248 -7.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.399 2.962 -9.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.746 3.335 -9.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.290 1.772 -8.763 1.00 0.00 H new ATOM 142 N ALA A 12 -1.680 3.094 -3.409 1.00 0.00 N ATOM 143 CA ALA A 12 -0.429 3.818 -3.215 1.00 0.00 C ATOM 144 C ALA A 12 -0.381 5.073 -4.080 1.00 0.00 C ATOM 145 O ALA A 12 0.253 5.088 -5.136 1.00 0.00 O ATOM 146 CB ALA A 12 0.756 2.916 -3.524 1.00 0.00 C ATOM 0 H ALA A 12 -1.599 2.261 -3.991 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.374 4.126 -2.171 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.683 3.469 -3.375 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.738 2.052 -2.860 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.697 2.579 -4.559 1.00 0.00 H new ATOM 152 N LEU A 13 -1.056 6.124 -3.627 1.00 0.00 N ATOM 153 CA LEU A 13 -1.091 7.384 -4.360 1.00 0.00 C ATOM 154 C LEU A 13 0.320 7.913 -4.602 1.00 0.00 C ATOM 155 O LEU A 13 0.607 8.486 -5.653 1.00 0.00 O ATOM 156 CB LEU A 13 -1.911 8.422 -3.592 1.00 0.00 C ATOM 157 CG LEU A 13 -3.267 7.949 -3.065 1.00 0.00 C ATOM 158 CD1 LEU A 13 -3.887 9.004 -2.163 1.00 0.00 C ATOM 159 CD2 LEU A 13 -4.201 7.617 -4.220 1.00 0.00 C ATOM 0 H LEU A 13 -1.586 6.128 -2.756 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.562 7.200 -5.326 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.317 8.772 -2.748 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.076 9.280 -4.244 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.111 7.044 -2.477 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.851 8.650 -1.798 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.226 9.194 -1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.029 9.926 -2.726 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.161 7.282 -3.827 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.350 8.505 -4.834 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.762 6.826 -4.827 1.00 0.00 H new ATOM 171 N TYR A 14 1.196 7.714 -3.624 1.00 0.00 N ATOM 172 CA TYR A 14 2.577 8.171 -3.730 1.00 0.00 C ATOM 173 C TYR A 14 3.550 7.017 -3.510 1.00 0.00 C ATOM 174 O TYR A 14 3.322 6.150 -2.666 1.00 0.00 O ATOM 175 CB TYR A 14 2.847 9.283 -2.716 1.00 0.00 C ATOM 176 CG TYR A 14 1.760 10.332 -2.663 1.00 0.00 C ATOM 177 CD1 TYR A 14 0.538 10.065 -2.058 1.00 0.00 C ATOM 178 CD2 TYR A 14 1.955 11.591 -3.217 1.00 0.00 C ATOM 179 CE1 TYR A 14 -0.458 11.020 -2.007 1.00 0.00 C ATOM 180 CE2 TYR A 14 0.964 12.553 -3.170 1.00 0.00 C ATOM 181 CZ TYR A 14 -0.241 12.263 -2.565 1.00 0.00 C ATOM 182 OH TYR A 14 -1.230 13.218 -2.516 1.00 0.00 O ATOM 0 H TYR A 14 0.975 7.239 -2.749 1.00 0.00 H new ATOM 0 HA TYR A 14 2.728 8.563 -4.736 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.962 8.841 -1.726 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.793 9.765 -2.961 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.364 9.093 -1.620 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.897 11.822 -3.692 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.402 10.795 -1.533 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.132 13.527 -3.605 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.916 14.037 -2.953 1.00 0.00 H new ATOM 192 N SER A 15 4.638 7.015 -4.274 1.00 0.00 N ATOM 193 CA SER A 15 5.647 5.968 -4.165 1.00 0.00 C ATOM 194 C SER A 15 6.537 6.195 -2.947 1.00 0.00 C ATOM 195 O SER A 15 6.962 7.319 -2.675 1.00 0.00 O ATOM 196 CB SER A 15 6.500 5.919 -5.434 1.00 0.00 C ATOM 197 OG SER A 15 7.020 7.199 -5.748 1.00 0.00 O ATOM 0 H SER A 15 4.843 7.727 -4.975 1.00 0.00 H new ATOM 0 HA SER A 15 5.134 5.014 -4.044 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.320 5.213 -5.298 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.899 5.553 -6.266 1.00 0.00 H new ATOM 0 HG SER A 15 7.563 7.141 -6.562 1.00 0.00 H new ATOM 203 N PHE A 16 6.816 5.121 -2.217 1.00 0.00 N ATOM 204 CA PHE A 16 7.655 5.202 -1.027 1.00 0.00 C ATOM 205 C PHE A 16 8.826 4.227 -1.120 1.00 0.00 C ATOM 206 O PHE A 16 8.670 3.097 -1.580 1.00 0.00 O ATOM 207 CB PHE A 16 6.829 4.906 0.226 1.00 0.00 C ATOM 208 CG PHE A 16 7.553 5.211 1.507 1.00 0.00 C ATOM 209 CD1 PHE A 16 8.101 6.465 1.727 1.00 0.00 C ATOM 210 CD2 PHE A 16 7.686 4.244 2.490 1.00 0.00 C ATOM 211 CE1 PHE A 16 8.767 6.749 2.904 1.00 0.00 C ATOM 212 CE2 PHE A 16 8.351 4.522 3.669 1.00 0.00 C ATOM 213 CZ PHE A 16 8.893 5.775 3.876 1.00 0.00 C ATOM 0 H PHE A 16 6.473 4.184 -2.428 1.00 0.00 H new ATOM 0 HA PHE A 16 8.052 6.215 -0.961 1.00 0.00 H new ATOM 0 HB2 PHE A 16 5.908 5.489 0.191 1.00 0.00 H new ATOM 0 HB3 PHE A 16 6.541 3.855 0.222 1.00 0.00 H new ATOM 0 HD1 PHE A 16 8.006 7.229 0.970 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.265 3.262 2.333 1.00 0.00 H new ATOM 0 HE1 PHE A 16 9.188 7.731 3.064 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.447 3.760 4.428 1.00 0.00 H new ATOM 0 HZ PHE A 16 9.415 5.993 4.796 1.00 0.00 H new ATOM 223 N GLN A 17 9.997 4.675 -0.680 1.00 0.00 N ATOM 224 CA GLN A 17 11.195 3.844 -0.715 1.00 0.00 C ATOM 225 C GLN A 17 11.608 3.425 0.692 1.00 0.00 C ATOM 226 O GLN A 17 12.038 4.252 1.495 1.00 0.00 O ATOM 227 CB GLN A 17 12.342 4.593 -1.394 1.00 0.00 C ATOM 228 CG GLN A 17 12.416 4.362 -2.895 1.00 0.00 C ATOM 229 CD GLN A 17 12.977 5.556 -3.642 1.00 0.00 C ATOM 230 OE1 GLN A 17 14.177 5.628 -3.910 1.00 0.00 O ATOM 231 NE2 GLN A 17 12.110 6.502 -3.984 1.00 0.00 N ATOM 0 H GLN A 17 10.142 5.608 -0.295 1.00 0.00 H new ATOM 0 HA GLN A 17 10.967 2.946 -1.290 1.00 0.00 H new ATOM 0 HB2 GLN A 17 12.230 5.661 -1.204 1.00 0.00 H new ATOM 0 HB3 GLN A 17 13.284 4.285 -0.941 1.00 0.00 H new ATOM 0 HG2 GLN A 17 13.037 3.489 -3.094 1.00 0.00 H new ATOM 0 HG3 GLN A 17 11.419 4.137 -3.274 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.124 6.402 -3.742 1.00 0.00 H new ATOM 0 HE22 GLN A 17 12.430 7.329 -4.489 1.00 0.00 H new ATOM 240 N ALA A 18 11.472 2.136 0.984 1.00 0.00 N ATOM 241 CA ALA A 18 11.833 1.607 2.294 1.00 0.00 C ATOM 242 C ALA A 18 13.346 1.486 2.440 1.00 0.00 C ATOM 243 O ALA A 18 13.938 0.481 2.049 1.00 0.00 O ATOM 244 CB ALA A 18 11.170 0.256 2.519 1.00 0.00 C ATOM 0 H ALA A 18 11.114 1.438 0.331 1.00 0.00 H new ATOM 0 HA ALA A 18 11.476 2.306 3.051 1.00 0.00 H new ATOM 0 HB1 ALA A 18 11.448 -0.127 3.501 1.00 0.00 H new ATOM 0 HB2 ALA A 18 10.087 0.369 2.467 1.00 0.00 H new ATOM 0 HB3 ALA A 18 11.499 -0.443 1.750 1.00 0.00 H new ATOM 250 N ARG A 19 13.965 2.518 3.004 1.00 0.00 N ATOM 251 CA ARG A 19 15.410 2.527 3.199 1.00 0.00 C ATOM 252 C ARG A 19 15.887 1.208 3.800 1.00 0.00 C ATOM 253 O ARG A 19 17.004 0.764 3.537 1.00 0.00 O ATOM 254 CB ARG A 19 15.816 3.689 4.109 1.00 0.00 C ATOM 255 CG ARG A 19 15.836 5.036 3.404 1.00 0.00 C ATOM 256 CD ARG A 19 17.165 5.280 2.707 1.00 0.00 C ATOM 257 NE ARG A 19 17.398 6.699 2.453 1.00 0.00 N ATOM 258 CZ ARG A 19 18.523 7.178 1.933 1.00 0.00 C ATOM 259 NH1 ARG A 19 19.512 6.355 1.614 1.00 0.00 N ATOM 260 NH2 ARG A 19 18.659 8.482 1.732 1.00 0.00 N ATOM 0 H ARG A 19 13.489 3.358 3.334 1.00 0.00 H new ATOM 0 HA ARG A 19 15.881 2.654 2.224 1.00 0.00 H new ATOM 0 HB2 ARG A 19 15.125 3.739 4.951 1.00 0.00 H new ATOM 0 HB3 ARG A 19 16.805 3.489 4.520 1.00 0.00 H new ATOM 0 HG2 ARG A 19 15.028 5.078 2.674 1.00 0.00 H new ATOM 0 HG3 ARG A 19 15.653 5.830 4.128 1.00 0.00 H new ATOM 0 HD2 ARG A 19 17.974 4.884 3.321 1.00 0.00 H new ATOM 0 HD3 ARG A 19 17.185 4.735 1.763 1.00 0.00 H new ATOM 0 HE ARG A 19 16.656 7.359 2.688 1.00 0.00 H new ATOM 0 HH11 ARG A 19 19.410 5.352 1.768 1.00 0.00 H new ATOM 0 HH12 ARG A 19 20.375 6.725 1.215 1.00 0.00 H new ATOM 0 HH21 ARG A 19 17.900 9.118 1.977 1.00 0.00 H new ATOM 0 HH22 ARG A 19 19.523 8.849 1.333 1.00 0.00 H new ATOM 274 N GLN A 20 15.031 0.587 4.606 1.00 0.00 N ATOM 275 CA GLN A 20 15.366 -0.680 5.244 1.00 0.00 C ATOM 276 C GLN A 20 14.153 -1.604 5.289 1.00 0.00 C ATOM 277 O GLN A 20 13.019 -1.165 5.098 1.00 0.00 O ATOM 278 CB GLN A 20 15.891 -0.440 6.660 1.00 0.00 C ATOM 279 CG GLN A 20 15.028 0.508 7.476 1.00 0.00 C ATOM 280 CD GLN A 20 15.421 0.541 8.940 1.00 0.00 C ATOM 281 OE1 GLN A 20 15.904 -0.450 9.487 1.00 0.00 O ATOM 282 NE2 GLN A 20 15.214 1.684 9.583 1.00 0.00 N ATOM 0 H GLN A 20 14.101 0.941 4.832 1.00 0.00 H new ATOM 0 HA GLN A 20 16.145 -1.161 4.652 1.00 0.00 H new ATOM 0 HB2 GLN A 20 15.959 -1.395 7.180 1.00 0.00 H new ATOM 0 HB3 GLN A 20 16.902 -0.037 6.600 1.00 0.00 H new ATOM 0 HG2 GLN A 20 15.105 1.513 7.060 1.00 0.00 H new ATOM 0 HG3 GLN A 20 13.984 0.207 7.391 1.00 0.00 H new ATOM 0 HE21 GLN A 20 14.811 2.481 9.090 1.00 0.00 H new ATOM 0 HE22 GLN A 20 15.458 1.765 10.570 1.00 0.00 H new ATOM 291 N ASP A 21 14.400 -2.885 5.541 1.00 0.00 N ATOM 292 CA ASP A 21 13.328 -3.871 5.611 1.00 0.00 C ATOM 293 C ASP A 21 12.207 -3.390 6.527 1.00 0.00 C ATOM 294 O ASP A 21 11.027 -3.577 6.231 1.00 0.00 O ATOM 295 CB ASP A 21 13.871 -5.211 6.109 1.00 0.00 C ATOM 296 CG ASP A 21 14.913 -5.045 7.198 1.00 0.00 C ATOM 297 OD1 ASP A 21 16.096 -4.831 6.859 1.00 0.00 O ATOM 298 OD2 ASP A 21 14.546 -5.131 8.388 1.00 0.00 O ATOM 0 H ASP A 21 15.333 -3.265 5.700 1.00 0.00 H new ATOM 0 HA ASP A 21 12.922 -4.003 4.608 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.047 -5.815 6.488 1.00 0.00 H new ATOM 0 HB3 ASP A 21 14.308 -5.756 5.272 1.00 0.00 H new ATOM 303 N ASP A 22 12.584 -2.772 7.641 1.00 0.00 N ATOM 304 CA ASP A 22 11.611 -2.265 8.601 1.00 0.00 C ATOM 305 C ASP A 22 10.435 -1.606 7.886 1.00 0.00 C ATOM 306 O ASP A 22 9.278 -1.826 8.242 1.00 0.00 O ATOM 307 CB ASP A 22 12.273 -1.264 9.550 1.00 0.00 C ATOM 308 CG ASP A 22 11.424 -0.978 10.773 1.00 0.00 C ATOM 309 OD1 ASP A 22 10.827 -1.931 11.317 1.00 0.00 O ATOM 310 OD2 ASP A 22 11.359 0.197 11.188 1.00 0.00 O ATOM 0 H ASP A 22 13.557 -2.610 7.901 1.00 0.00 H new ATOM 0 HA ASP A 22 11.235 -3.108 9.180 1.00 0.00 H new ATOM 0 HB2 ASP A 22 13.241 -1.653 9.866 1.00 0.00 H new ATOM 0 HB3 ASP A 22 12.462 -0.332 9.017 1.00 0.00 H new ATOM 315 N GLU A 23 10.741 -0.796 6.877 1.00 0.00 N ATOM 316 CA GLU A 23 9.709 -0.103 6.115 1.00 0.00 C ATOM 317 C GLU A 23 9.282 -0.929 4.904 1.00 0.00 C ATOM 318 O GLU A 23 9.793 -2.025 4.674 1.00 0.00 O ATOM 319 CB GLU A 23 10.214 1.267 5.658 1.00 0.00 C ATOM 320 CG GLU A 23 10.603 2.185 6.805 1.00 0.00 C ATOM 321 CD GLU A 23 11.326 3.432 6.334 1.00 0.00 C ATOM 322 OE1 GLU A 23 12.227 3.308 5.478 1.00 0.00 O ATOM 323 OE2 GLU A 23 10.991 4.532 6.821 1.00 0.00 O ATOM 0 H GLU A 23 11.694 -0.604 6.569 1.00 0.00 H new ATOM 0 HA GLU A 23 8.844 0.035 6.764 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.076 1.128 5.006 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.439 1.751 5.063 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.707 2.474 7.354 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.241 1.640 7.501 1.00 0.00 H new ATOM 330 N LEU A 24 8.340 -0.394 4.134 1.00 0.00 N ATOM 331 CA LEU A 24 7.842 -1.081 2.948 1.00 0.00 C ATOM 332 C LEU A 24 7.905 -0.170 1.725 1.00 0.00 C ATOM 333 O LEU A 24 7.592 1.017 1.807 1.00 0.00 O ATOM 334 CB LEU A 24 6.404 -1.552 3.173 1.00 0.00 C ATOM 335 CG LEU A 24 5.985 -2.814 2.417 1.00 0.00 C ATOM 336 CD1 LEU A 24 4.742 -3.424 3.044 1.00 0.00 C ATOM 337 CD2 LEU A 24 5.744 -2.499 0.947 1.00 0.00 C ATOM 0 H LEU A 24 7.907 0.512 4.310 1.00 0.00 H new ATOM 0 HA LEU A 24 8.477 -1.948 2.767 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.263 -1.728 4.239 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.730 -0.743 2.891 1.00 0.00 H new ATOM 0 HG LEU A 24 6.794 -3.541 2.485 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.459 -4.321 2.493 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.949 -3.686 4.082 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.925 -2.703 3.008 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.447 -3.408 0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.953 -1.755 0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.660 -2.108 0.504 1.00 0.00 H new ATOM 349 N ASN A 25 8.310 -0.736 0.593 1.00 0.00 N ATOM 350 CA ASN A 25 8.412 0.025 -0.647 1.00 0.00 C ATOM 351 C ASN A 25 7.076 0.048 -1.383 1.00 0.00 C ATOM 352 O ASN A 25 6.426 -0.986 -1.546 1.00 0.00 O ATOM 353 CB ASN A 25 9.494 -0.573 -1.549 1.00 0.00 C ATOM 354 CG ASN A 25 9.816 0.317 -2.734 1.00 0.00 C ATOM 355 OD1 ASN A 25 8.933 0.674 -3.514 1.00 0.00 O ATOM 356 ND2 ASN A 25 11.086 0.678 -2.874 1.00 0.00 N ATOM 0 H ASN A 25 8.573 -1.718 0.509 1.00 0.00 H new ATOM 0 HA ASN A 25 8.684 1.050 -0.394 1.00 0.00 H new ATOM 0 HB2 ASN A 25 10.400 -0.738 -0.965 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.165 -1.548 -1.909 1.00 0.00 H new ATOM 0 HD21 ASN A 25 11.364 1.275 -3.653 1.00 0.00 H new ATOM 0 HD22 ASN A 25 11.784 0.358 -2.203 1.00 0.00 H new ATOM 363 N LEU A 26 6.671 1.233 -1.827 1.00 0.00 N ATOM 364 CA LEU A 26 5.412 1.391 -2.547 1.00 0.00 C ATOM 365 C LEU A 26 5.652 1.952 -3.945 1.00 0.00 C ATOM 366 O LEU A 26 6.790 2.212 -4.333 1.00 0.00 O ATOM 367 CB LEU A 26 4.470 2.312 -1.770 1.00 0.00 C ATOM 368 CG LEU A 26 4.294 1.993 -0.285 1.00 0.00 C ATOM 369 CD1 LEU A 26 3.605 3.145 0.430 1.00 0.00 C ATOM 370 CD2 LEU A 26 3.506 0.703 -0.106 1.00 0.00 C ATOM 0 H LEU A 26 7.196 2.098 -1.701 1.00 0.00 H new ATOM 0 HA LEU A 26 4.951 0.408 -2.644 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.837 3.334 -1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.490 2.282 -2.246 1.00 0.00 H new ATOM 0 HG LEU A 26 5.281 1.856 0.157 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.488 2.900 1.486 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.208 4.047 0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.624 3.314 -0.014 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.391 0.492 0.957 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.523 0.811 -0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.040 -0.119 -0.583 1.00 0.00 H new ATOM 382 N GLU A 27 4.570 2.139 -4.696 1.00 0.00 N ATOM 383 CA GLU A 27 4.664 2.671 -6.050 1.00 0.00 C ATOM 384 C GLU A 27 3.347 3.317 -6.473 1.00 0.00 C ATOM 385 O GLU A 27 2.267 2.836 -6.128 1.00 0.00 O ATOM 386 CB GLU A 27 5.038 1.560 -7.033 1.00 0.00 C ATOM 387 CG GLU A 27 4.593 1.834 -8.460 1.00 0.00 C ATOM 388 CD GLU A 27 5.362 1.017 -9.479 1.00 0.00 C ATOM 389 OE1 GLU A 27 6.393 0.420 -9.105 1.00 0.00 O ATOM 390 OE2 GLU A 27 4.932 0.973 -10.651 1.00 0.00 O ATOM 0 H GLU A 27 3.620 1.930 -4.389 1.00 0.00 H new ATOM 0 HA GLU A 27 5.443 3.433 -6.060 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.119 1.423 -7.019 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.593 0.624 -6.696 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.529 1.615 -8.553 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.721 2.894 -8.679 1.00 0.00 H new ATOM 397 N LYS A 28 3.445 4.410 -7.221 1.00 0.00 N ATOM 398 CA LYS A 28 2.264 5.124 -7.692 1.00 0.00 C ATOM 399 C LYS A 28 1.295 4.173 -8.387 1.00 0.00 C ATOM 400 O LYS A 28 1.551 3.713 -9.499 1.00 0.00 O ATOM 401 CB LYS A 28 2.670 6.246 -8.651 1.00 0.00 C ATOM 402 CG LYS A 28 1.537 7.202 -8.982 1.00 0.00 C ATOM 403 CD LYS A 28 2.063 8.561 -9.414 1.00 0.00 C ATOM 404 CE LYS A 28 2.438 9.420 -8.217 1.00 0.00 C ATOM 405 NZ LYS A 28 2.432 10.871 -8.551 1.00 0.00 N ATOM 0 H LYS A 28 4.331 4.821 -7.515 1.00 0.00 H new ATOM 0 HA LYS A 28 1.763 5.557 -6.827 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.493 6.809 -8.211 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.044 5.805 -9.575 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.923 6.779 -9.777 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.893 7.320 -8.111 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.935 8.428 -10.055 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.306 9.073 -10.008 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.739 9.232 -7.402 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.427 9.134 -7.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.693 11.422 -7.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.118 11.055 -9.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.481 11.151 -8.867 1.00 0.00 H new ATOM 419 N GLY A 29 0.180 3.883 -7.723 1.00 0.00 N ATOM 420 CA GLY A 29 -0.811 2.989 -8.294 1.00 0.00 C ATOM 421 C GLY A 29 -0.584 1.543 -7.899 1.00 0.00 C ATOM 422 O GLY A 29 -0.524 0.661 -8.755 1.00 0.00 O ATOM 0 H GLY A 29 -0.055 4.251 -6.801 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.805 3.299 -7.971 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.789 3.073 -9.381 1.00 0.00 H new ATOM 426 N ASP A 30 -0.455 1.300 -6.599 1.00 0.00 N ATOM 427 CA ASP A 30 -0.232 -0.049 -6.092 1.00 0.00 C ATOM 428 C ASP A 30 -1.196 -0.368 -4.954 1.00 0.00 C ATOM 429 O ASP A 30 -1.311 0.394 -3.993 1.00 0.00 O ATOM 430 CB ASP A 30 1.212 -0.204 -5.612 1.00 0.00 C ATOM 431 CG ASP A 30 2.139 -0.685 -6.711 1.00 0.00 C ATOM 432 OD1 ASP A 30 2.201 -0.022 -7.768 1.00 0.00 O ATOM 433 OD2 ASP A 30 2.802 -1.725 -6.516 1.00 0.00 O ATOM 0 H ASP A 30 -0.501 2.019 -5.877 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.414 -0.751 -6.906 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.570 0.753 -5.232 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.242 -0.909 -4.781 1.00 0.00 H new ATOM 438 N ILE A 31 -1.887 -1.497 -5.070 1.00 0.00 N ATOM 439 CA ILE A 31 -2.841 -1.916 -4.050 1.00 0.00 C ATOM 440 C ILE A 31 -2.148 -2.688 -2.933 1.00 0.00 C ATOM 441 O ILE A 31 -1.580 -3.756 -3.161 1.00 0.00 O ATOM 442 CB ILE A 31 -3.956 -2.793 -4.650 1.00 0.00 C ATOM 443 CG1 ILE A 31 -4.663 -2.051 -5.786 1.00 0.00 C ATOM 444 CG2 ILE A 31 -4.952 -3.193 -3.572 1.00 0.00 C ATOM 445 CD1 ILE A 31 -5.016 -0.620 -5.446 1.00 0.00 C ATOM 0 H ILE A 31 -1.804 -2.138 -5.859 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.284 -1.009 -3.640 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.506 -3.699 -5.057 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.023 -2.059 -6.668 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.574 -2.589 -6.049 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.734 -3.812 -4.011 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.438 -3.756 -2.793 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.398 -2.298 -3.139 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.514 -0.156 -6.297 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.682 -0.605 -4.583 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.106 -0.067 -5.212 1.00 0.00 H new ATOM 457 N VAL A 32 -2.200 -2.141 -1.722 1.00 0.00 N ATOM 458 CA VAL A 32 -1.580 -2.780 -0.568 1.00 0.00 C ATOM 459 C VAL A 32 -2.631 -3.387 0.355 1.00 0.00 C ATOM 460 O VAL A 32 -3.645 -2.757 0.657 1.00 0.00 O ATOM 461 CB VAL A 32 -0.724 -1.781 0.234 1.00 0.00 C ATOM 462 CG1 VAL A 32 0.066 -2.502 1.316 1.00 0.00 C ATOM 463 CG2 VAL A 32 0.204 -1.011 -0.693 1.00 0.00 C ATOM 0 H VAL A 32 -2.665 -1.257 -1.515 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.937 -3.572 -0.952 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.389 -1.067 0.719 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.664 -1.780 1.872 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.623 -3.003 1.996 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.723 -3.240 0.856 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.801 -0.310 -0.110 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.864 -1.709 -1.209 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.387 -0.462 -1.426 1.00 0.00 H new ATOM 473 N ILE A 33 -2.381 -4.614 0.799 1.00 0.00 N ATOM 474 CA ILE A 33 -3.306 -5.306 1.689 1.00 0.00 C ATOM 475 C ILE A 33 -3.092 -4.886 3.139 1.00 0.00 C ATOM 476 O ILE A 33 -2.199 -5.395 3.818 1.00 0.00 O ATOM 477 CB ILE A 33 -3.153 -6.835 1.582 1.00 0.00 C ATOM 478 CG1 ILE A 33 -3.495 -7.305 0.166 1.00 0.00 C ATOM 479 CG2 ILE A 33 -4.039 -7.529 2.605 1.00 0.00 C ATOM 480 CD1 ILE A 33 -3.054 -8.723 -0.122 1.00 0.00 C ATOM 0 H ILE A 33 -1.547 -5.149 0.558 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.312 -5.027 1.377 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.116 -7.098 1.792 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.572 -7.231 0.017 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.027 -6.634 -0.554 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.920 -8.609 2.517 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.753 -7.213 3.608 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.081 -7.263 2.424 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.329 -8.989 -1.143 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.973 -8.799 -0.006 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.542 -9.404 0.575 1.00 0.00 H new ATOM 492 N ILE A 34 -3.916 -3.956 3.608 1.00 0.00 N ATOM 493 CA ILE A 34 -3.819 -3.469 4.978 1.00 0.00 C ATOM 494 C ILE A 34 -3.980 -4.609 5.979 1.00 0.00 C ATOM 495 O ILE A 34 -4.931 -5.387 5.902 1.00 0.00 O ATOM 496 CB ILE A 34 -4.880 -2.391 5.270 1.00 0.00 C ATOM 497 CG1 ILE A 34 -4.649 -1.165 4.385 1.00 0.00 C ATOM 498 CG2 ILE A 34 -4.850 -2.003 6.740 1.00 0.00 C ATOM 499 CD1 ILE A 34 -5.727 -0.112 4.517 1.00 0.00 C ATOM 0 H ILE A 34 -4.659 -3.524 3.059 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.828 -3.029 5.087 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.865 -2.800 5.043 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.686 -0.721 4.638 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.590 -1.484 3.344 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.605 -1.241 6.931 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.058 -2.881 7.352 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.865 -1.609 6.992 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.498 0.728 3.861 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.690 -0.539 4.236 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.772 0.236 5.549 1.00 0.00 H new ATOM 511 N HIS A 35 -3.044 -4.700 6.919 1.00 0.00 N ATOM 512 CA HIS A 35 -3.084 -5.743 7.937 1.00 0.00 C ATOM 513 C HIS A 35 -3.339 -5.146 9.318 1.00 0.00 C ATOM 514 O HIS A 35 -4.225 -5.595 10.044 1.00 0.00 O ATOM 515 CB HIS A 35 -1.772 -6.529 7.943 1.00 0.00 C ATOM 516 CG HIS A 35 -1.733 -7.637 6.937 1.00 0.00 C ATOM 517 ND1 HIS A 35 -2.099 -8.934 7.230 1.00 0.00 N ATOM 518 CD2 HIS A 35 -1.370 -7.637 5.633 1.00 0.00 C ATOM 519 CE1 HIS A 35 -1.961 -9.683 6.151 1.00 0.00 C ATOM 520 NE2 HIS A 35 -1.520 -8.920 5.167 1.00 0.00 N ATOM 0 H HIS A 35 -2.250 -4.065 6.996 1.00 0.00 H new ATOM 0 HA HIS A 35 -3.904 -6.420 7.696 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -0.947 -5.844 7.749 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.613 -6.946 8.937 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.026 -6.786 5.064 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -2.173 -10.740 6.084 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -1.323 -9.233 4.216 1.00 0.00 H new ATOM 529 N GLU A 36 -2.556 -4.132 9.673 1.00 0.00 N ATOM 530 CA GLU A 36 -2.697 -3.475 10.967 1.00 0.00 C ATOM 531 C GLU A 36 -2.268 -2.013 10.884 1.00 0.00 C ATOM 532 O GLU A 36 -1.247 -1.687 10.278 1.00 0.00 O ATOM 533 CB GLU A 36 -1.867 -4.203 12.026 1.00 0.00 C ATOM 534 CG GLU A 36 -2.025 -5.714 11.992 1.00 0.00 C ATOM 535 CD GLU A 36 -3.366 -6.172 12.532 1.00 0.00 C ATOM 536 OE1 GLU A 36 -4.334 -5.387 12.463 1.00 0.00 O ATOM 537 OE2 GLU A 36 -3.446 -7.318 13.023 1.00 0.00 O ATOM 0 H GLU A 36 -1.818 -3.748 9.083 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.748 -3.511 11.252 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.815 -3.953 11.886 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.153 -3.839 13.013 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.912 -6.065 10.966 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.227 -6.172 12.576 1.00 0.00 H new ATOM 544 N LYS A 37 -3.055 -1.136 11.498 1.00 0.00 N ATOM 545 CA LYS A 37 -2.759 0.291 11.496 1.00 0.00 C ATOM 546 C LYS A 37 -2.833 0.864 12.908 1.00 0.00 C ATOM 547 O LYS A 37 -3.757 1.606 13.241 1.00 0.00 O ATOM 548 CB LYS A 37 -3.734 1.035 10.581 1.00 0.00 C ATOM 549 CG LYS A 37 -3.878 0.405 9.206 1.00 0.00 C ATOM 550 CD LYS A 37 -4.900 1.145 8.358 1.00 0.00 C ATOM 551 CE LYS A 37 -6.306 0.615 8.592 1.00 0.00 C ATOM 552 NZ LYS A 37 -7.342 1.647 8.310 1.00 0.00 N ATOM 0 H LYS A 37 -3.904 -1.389 12.004 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.745 0.425 11.121 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.713 1.071 11.059 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.397 2.065 10.466 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.913 0.409 8.700 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.178 -0.638 9.312 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.867 2.209 8.593 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.642 1.043 7.304 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.477 -0.254 7.957 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.400 0.279 9.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.286 1.247 8.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.195 2.466 8.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.269 1.950 7.318 1.00 0.00 H new ATOM 566 N LYS A 38 -1.852 0.517 13.735 1.00 0.00 N ATOM 567 CA LYS A 38 -1.803 0.999 15.110 1.00 0.00 C ATOM 568 C LYS A 38 -1.178 2.389 15.178 1.00 0.00 C ATOM 569 O LYS A 38 -1.843 3.360 15.535 1.00 0.00 O ATOM 570 CB LYS A 38 -1.008 0.027 15.985 1.00 0.00 C ATOM 571 CG LYS A 38 -1.659 -1.339 16.123 1.00 0.00 C ATOM 572 CD LYS A 38 -1.270 -2.260 14.978 1.00 0.00 C ATOM 573 CE LYS A 38 -1.342 -3.722 15.391 1.00 0.00 C ATOM 574 NZ LYS A 38 -2.735 -4.247 15.331 1.00 0.00 N ATOM 0 H LYS A 38 -1.080 -0.097 13.476 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.825 1.061 15.483 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.011 -0.096 15.563 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.883 0.463 16.976 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.364 -1.790 17.070 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.743 -1.226 16.148 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.932 -2.087 14.129 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.259 -2.024 14.647 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.702 -4.316 14.739 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.955 -3.833 16.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.724 -5.221 14.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.150 -4.240 16.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.305 -3.648 14.701 1.00 0.00 H new ATOM 588 N GLU A 39 0.102 2.474 14.833 1.00 0.00 N ATOM 589 CA GLU A 39 0.815 3.746 14.855 1.00 0.00 C ATOM 590 C GLU A 39 -0.016 4.847 14.202 1.00 0.00 C ATOM 591 O GLU A 39 -1.032 4.575 13.564 1.00 0.00 O ATOM 592 CB GLU A 39 2.161 3.614 14.138 1.00 0.00 C ATOM 593 CG GLU A 39 3.186 4.648 14.573 1.00 0.00 C ATOM 594 CD GLU A 39 3.269 4.789 16.081 1.00 0.00 C ATOM 595 OE1 GLU A 39 3.667 3.810 16.746 1.00 0.00 O ATOM 596 OE2 GLU A 39 2.935 5.877 16.594 1.00 0.00 O ATOM 0 H GLU A 39 0.667 1.678 14.535 1.00 0.00 H new ATOM 0 HA GLU A 39 0.991 4.017 15.896 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.563 2.617 14.319 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.001 3.703 13.063 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.165 4.370 14.183 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.931 5.613 14.135 1.00 0.00 H new ATOM 603 N GLU A 40 0.425 6.090 14.368 1.00 0.00 N ATOM 604 CA GLU A 40 -0.279 7.232 13.796 1.00 0.00 C ATOM 605 C GLU A 40 0.217 7.525 12.383 1.00 0.00 C ATOM 606 O GLU A 40 1.238 8.185 12.196 1.00 0.00 O ATOM 607 CB GLU A 40 -0.094 8.468 14.679 1.00 0.00 C ATOM 608 CG GLU A 40 -1.039 9.607 14.337 1.00 0.00 C ATOM 609 CD GLU A 40 -2.474 9.146 14.176 1.00 0.00 C ATOM 610 OE1 GLU A 40 -2.815 8.641 13.086 1.00 0.00 O ATOM 611 OE2 GLU A 40 -3.257 9.291 15.138 1.00 0.00 O ATOM 0 H GLU A 40 1.265 6.332 14.893 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.339 6.985 13.747 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.242 8.185 15.721 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.934 8.820 14.587 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.990 10.363 15.121 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.709 10.083 13.414 1.00 0.00 H new ATOM 618 N GLY A 41 -0.514 7.027 11.390 1.00 0.00 N ATOM 619 CA GLY A 41 -0.133 7.245 10.007 1.00 0.00 C ATOM 620 C GLY A 41 0.581 6.050 9.407 1.00 0.00 C ATOM 621 O GLY A 41 0.262 5.619 8.299 1.00 0.00 O ATOM 0 H GLY A 41 -1.363 6.477 11.519 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.024 7.465 9.418 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.514 8.120 9.945 1.00 0.00 H new ATOM 625 N TRP A 42 1.551 5.514 10.140 1.00 0.00 N ATOM 626 CA TRP A 42 2.314 4.362 9.672 1.00 0.00 C ATOM 627 C TRP A 42 1.456 3.102 9.680 1.00 0.00 C ATOM 628 O TRP A 42 1.164 2.545 10.738 1.00 0.00 O ATOM 629 CB TRP A 42 3.552 4.156 10.546 1.00 0.00 C ATOM 630 CG TRP A 42 4.337 5.413 10.770 1.00 0.00 C ATOM 631 CD1 TRP A 42 4.051 6.410 11.659 1.00 0.00 C ATOM 632 CD2 TRP A 42 5.535 5.808 10.092 1.00 0.00 C ATOM 633 NE1 TRP A 42 5.000 7.401 11.574 1.00 0.00 N ATOM 634 CE2 TRP A 42 5.921 7.055 10.621 1.00 0.00 C ATOM 635 CE3 TRP A 42 6.319 5.229 9.091 1.00 0.00 C ATOM 636 CZ2 TRP A 42 7.056 7.731 10.181 1.00 0.00 C ATOM 637 CZ3 TRP A 42 7.445 5.901 8.655 1.00 0.00 C ATOM 638 CH2 TRP A 42 7.806 7.140 9.200 1.00 0.00 C ATOM 0 H TRP A 42 1.827 5.858 11.060 1.00 0.00 H new ATOM 0 HA TRP A 42 2.630 4.558 8.647 1.00 0.00 H new ATOM 0 HB2 TRP A 42 3.244 3.752 11.510 1.00 0.00 H new ATOM 0 HB3 TRP A 42 4.197 3.411 10.080 1.00 0.00 H new ATOM 0 HD1 TRP A 42 3.204 6.418 12.330 1.00 0.00 H new ATOM 0 HE1 TRP A 42 5.016 8.256 12.131 1.00 0.00 H new ATOM 0 HE3 TRP A 42 6.050 4.273 8.666 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 7.335 8.687 10.599 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 8.057 5.463 7.881 1.00 0.00 H new ATOM 0 HH2 TRP A 42 8.693 7.639 8.839 1.00 0.00 H new ATOM 649 N TRP A 43 1.055 2.657 8.494 1.00 0.00 N ATOM 650 CA TRP A 43 0.230 1.461 8.365 1.00 0.00 C ATOM 651 C TRP A 43 1.094 0.226 8.140 1.00 0.00 C ATOM 652 O TRP A 43 2.252 0.331 7.734 1.00 0.00 O ATOM 653 CB TRP A 43 -0.761 1.623 7.212 1.00 0.00 C ATOM 654 CG TRP A 43 -1.840 2.625 7.491 1.00 0.00 C ATOM 655 CD1 TRP A 43 -1.945 3.432 8.588 1.00 0.00 C ATOM 656 CD2 TRP A 43 -2.967 2.925 6.660 1.00 0.00 C ATOM 657 NE1 TRP A 43 -3.069 4.215 8.489 1.00 0.00 N ATOM 658 CE2 TRP A 43 -3.713 3.924 7.316 1.00 0.00 C ATOM 659 CE3 TRP A 43 -3.417 2.449 5.426 1.00 0.00 C ATOM 660 CZ2 TRP A 43 -4.883 4.453 6.777 1.00 0.00 C ATOM 661 CZ3 TRP A 43 -4.579 2.974 4.893 1.00 0.00 C ATOM 662 CH2 TRP A 43 -5.301 3.968 5.567 1.00 0.00 C ATOM 0 H TRP A 43 1.288 3.106 7.608 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.324 1.329 9.295 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -0.218 1.924 6.316 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.219 0.657 6.998 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.247 3.451 9.412 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.375 4.902 9.178 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.867 1.684 4.898 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.441 5.219 7.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.937 2.612 3.941 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -6.205 4.359 5.123 1.00 0.00 H new ATOM 673 N PHE A 44 0.525 -0.945 8.406 1.00 0.00 N ATOM 674 CA PHE A 44 1.245 -2.202 8.233 1.00 0.00 C ATOM 675 C PHE A 44 0.473 -3.150 7.320 1.00 0.00 C ATOM 676 O PHE A 44 -0.634 -3.579 7.645 1.00 0.00 O ATOM 677 CB PHE A 44 1.487 -2.867 9.589 1.00 0.00 C ATOM 678 CG PHE A 44 2.223 -4.172 9.494 1.00 0.00 C ATOM 679 CD1 PHE A 44 3.593 -4.197 9.285 1.00 0.00 C ATOM 680 CD2 PHE A 44 1.546 -5.375 9.613 1.00 0.00 C ATOM 681 CE1 PHE A 44 4.273 -5.397 9.198 1.00 0.00 C ATOM 682 CE2 PHE A 44 2.221 -6.578 9.527 1.00 0.00 C ATOM 683 CZ PHE A 44 3.586 -6.589 9.318 1.00 0.00 C ATOM 0 H PHE A 44 -0.432 -1.050 8.742 1.00 0.00 H new ATOM 0 HA PHE A 44 2.206 -1.980 7.768 1.00 0.00 H new ATOM 0 HB2 PHE A 44 2.053 -2.185 10.223 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.528 -3.035 10.079 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.135 -3.268 9.189 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.478 -5.373 9.775 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.341 -5.403 9.036 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.681 -7.509 9.623 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.115 -7.528 9.249 1.00 0.00 H new ATOM 693 N GLY A 45 1.065 -3.472 6.174 1.00 0.00 N ATOM 694 CA GLY A 45 0.419 -4.366 5.230 1.00 0.00 C ATOM 695 C GLY A 45 1.373 -4.875 4.168 1.00 0.00 C ATOM 696 O GLY A 45 2.533 -4.468 4.119 1.00 0.00 O ATOM 0 H GLY A 45 1.981 -3.130 5.882 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.006 -5.213 5.769 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.410 -3.846 4.750 1.00 0.00 H new ATOM 700 N SER A 46 0.883 -5.770 3.316 1.00 0.00 N ATOM 701 CA SER A 46 1.702 -6.341 2.252 1.00 0.00 C ATOM 702 C SER A 46 1.292 -5.784 0.893 1.00 0.00 C ATOM 703 O SER A 46 0.107 -5.745 0.556 1.00 0.00 O ATOM 704 CB SER A 46 1.581 -7.866 2.249 1.00 0.00 C ATOM 705 OG SER A 46 2.776 -8.471 1.786 1.00 0.00 O ATOM 0 H SER A 46 -0.076 -6.115 3.341 1.00 0.00 H new ATOM 0 HA SER A 46 2.740 -6.067 2.439 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.358 -8.218 3.256 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.748 -8.167 1.614 1.00 0.00 H new ATOM 0 HG SER A 46 2.674 -9.446 1.795 1.00 0.00 H new ATOM 711 N LEU A 47 2.279 -5.353 0.115 1.00 0.00 N ATOM 712 CA LEU A 47 2.022 -4.797 -1.209 1.00 0.00 C ATOM 713 C LEU A 47 2.034 -5.892 -2.271 1.00 0.00 C ATOM 714 O LEU A 47 0.984 -6.304 -2.763 1.00 0.00 O ATOM 715 CB LEU A 47 3.066 -3.731 -1.548 1.00 0.00 C ATOM 716 CG LEU A 47 3.237 -3.407 -3.032 1.00 0.00 C ATOM 717 CD1 LEU A 47 1.881 -3.226 -3.699 1.00 0.00 C ATOM 718 CD2 LEU A 47 4.091 -2.160 -3.211 1.00 0.00 C ATOM 0 H LEU A 47 3.264 -5.378 0.378 1.00 0.00 H new ATOM 0 HA LEU A 47 1.033 -4.338 -1.197 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.801 -2.812 -1.024 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.029 -4.056 -1.154 1.00 0.00 H new ATOM 0 HG LEU A 47 3.746 -4.244 -3.510 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.023 -2.996 -4.755 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.302 -4.145 -3.602 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.345 -2.408 -3.218 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.202 -1.945 -4.274 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.610 -1.315 -2.718 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.074 -2.326 -2.770 1.00 0.00 H new ATOM 730 N ASN A 48 3.228 -6.360 -2.617 1.00 0.00 N ATOM 731 CA ASN A 48 3.377 -7.410 -3.620 1.00 0.00 C ATOM 732 C ASN A 48 3.997 -8.662 -3.008 1.00 0.00 C ATOM 733 O ASN A 48 4.893 -9.272 -3.591 1.00 0.00 O ATOM 734 CB ASN A 48 4.240 -6.915 -4.782 1.00 0.00 C ATOM 735 CG ASN A 48 3.416 -6.270 -5.880 1.00 0.00 C ATOM 736 OD1 ASN A 48 2.439 -6.847 -6.359 1.00 0.00 O ATOM 737 ND2 ASN A 48 3.808 -5.068 -6.285 1.00 0.00 N ATOM 0 H ASN A 48 4.107 -6.030 -2.218 1.00 0.00 H new ATOM 0 HA ASN A 48 2.386 -7.664 -3.995 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.969 -6.196 -4.409 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.801 -7.752 -5.197 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.293 -4.585 -7.021 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.624 -4.627 -5.860 1.00 0.00 H new ATOM 744 N GLY A 49 3.513 -9.041 -1.829 1.00 0.00 N ATOM 745 CA GLY A 49 4.032 -10.219 -1.158 1.00 0.00 C ATOM 746 C GLY A 49 5.023 -9.874 -0.064 1.00 0.00 C ATOM 747 O GLY A 49 5.546 -10.760 0.612 1.00 0.00 O ATOM 0 H GLY A 49 2.771 -8.554 -1.327 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.204 -10.783 -0.729 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.514 -10.867 -1.890 1.00 0.00 H new ATOM 751 N LYS A 50 5.284 -8.583 0.110 1.00 0.00 N ATOM 752 CA LYS A 50 6.219 -8.121 1.129 1.00 0.00 C ATOM 753 C LYS A 50 5.540 -7.154 2.093 1.00 0.00 C ATOM 754 O LYS A 50 5.070 -6.089 1.692 1.00 0.00 O ATOM 755 CB LYS A 50 7.425 -7.444 0.475 1.00 0.00 C ATOM 756 CG LYS A 50 8.553 -8.403 0.137 1.00 0.00 C ATOM 757 CD LYS A 50 9.894 -7.691 0.086 1.00 0.00 C ATOM 758 CE LYS A 50 10.569 -7.674 1.449 1.00 0.00 C ATOM 759 NZ LYS A 50 12.039 -7.463 1.337 1.00 0.00 N ATOM 0 H LYS A 50 4.861 -7.837 -0.442 1.00 0.00 H new ATOM 0 HA LYS A 50 6.560 -8.989 1.694 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.100 -6.944 -0.437 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.804 -6.672 1.144 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.591 -9.199 0.881 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.354 -8.875 -0.825 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.543 -8.187 -0.636 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.751 -6.668 -0.263 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.134 -6.883 2.060 1.00 0.00 H new ATOM 0 HE3 LYS A 50 10.375 -8.616 1.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 12.462 -7.458 2.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 12.458 -8.231 0.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 12.224 -6.552 0.870 1.00 0.00 H new ATOM 773 N LYS A 51 5.493 -7.530 3.366 1.00 0.00 N ATOM 774 CA LYS A 51 4.874 -6.695 4.389 1.00 0.00 C ATOM 775 C LYS A 51 5.879 -5.700 4.960 1.00 0.00 C ATOM 776 O LYS A 51 7.089 -5.892 4.850 1.00 0.00 O ATOM 777 CB LYS A 51 4.307 -7.565 5.513 1.00 0.00 C ATOM 778 CG LYS A 51 2.854 -7.954 5.307 1.00 0.00 C ATOM 779 CD LYS A 51 2.225 -8.464 6.593 1.00 0.00 C ATOM 780 CE LYS A 51 2.392 -9.969 6.736 1.00 0.00 C ATOM 781 NZ LYS A 51 1.439 -10.718 5.870 1.00 0.00 N ATOM 0 H LYS A 51 5.877 -8.408 3.715 1.00 0.00 H new ATOM 0 HA LYS A 51 4.061 -6.138 3.924 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.908 -8.470 5.599 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.401 -7.030 6.458 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.294 -7.092 4.944 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.788 -8.724 4.538 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.682 -7.963 7.446 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.165 -8.212 6.606 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.414 -10.247 6.477 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.238 -10.254 7.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.864 -11.624 5.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.559 -10.896 6.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.227 -10.157 5.020 1.00 0.00 H new ATOM 795 N GLY A 52 5.369 -4.635 5.572 1.00 0.00 N ATOM 796 CA GLY A 52 6.236 -3.627 6.153 1.00 0.00 C ATOM 797 C GLY A 52 5.474 -2.393 6.596 1.00 0.00 C ATOM 798 O GLY A 52 4.301 -2.226 6.263 1.00 0.00 O ATOM 0 H GLY A 52 4.371 -4.453 5.676 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.761 -4.053 7.008 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.994 -3.340 5.424 1.00 0.00 H new ATOM 802 N HIS A 53 6.142 -1.527 7.352 1.00 0.00 N ATOM 803 CA HIS A 53 5.520 -0.303 7.843 1.00 0.00 C ATOM 804 C HIS A 53 5.627 0.813 6.808 1.00 0.00 C ATOM 805 O HIS A 53 6.706 1.359 6.577 1.00 0.00 O ATOM 806 CB HIS A 53 6.175 0.136 9.153 1.00 0.00 C ATOM 807 CG HIS A 53 6.005 -0.849 10.268 1.00 0.00 C ATOM 808 ND1 HIS A 53 7.047 -1.593 10.781 1.00 0.00 N ATOM 809 CD2 HIS A 53 4.905 -1.211 10.970 1.00 0.00 C ATOM 810 CE1 HIS A 53 6.596 -2.370 11.748 1.00 0.00 C ATOM 811 NE2 HIS A 53 5.299 -2.158 11.884 1.00 0.00 N ATOM 0 H HIS A 53 7.113 -1.650 7.638 1.00 0.00 H new ATOM 0 HA HIS A 53 4.465 -0.507 8.024 1.00 0.00 H new ATOM 0 HB2 HIS A 53 7.239 0.297 8.981 1.00 0.00 H new ATOM 0 HB3 HIS A 53 5.753 1.093 9.458 1.00 0.00 H new ATOM 0 HD2 HIS A 53 3.905 -0.827 10.836 1.00 0.00 H new ATOM 0 HE1 HIS A 53 7.187 -3.062 12.330 1.00 0.00 H new ATOM 0 HE2 HIS A 53 4.690 -2.622 12.558 1.00 0.00 H new ATOM 820 N PHE A 54 4.500 1.147 6.188 1.00 0.00 N ATOM 821 CA PHE A 54 4.467 2.197 5.176 1.00 0.00 C ATOM 822 C PHE A 54 3.608 3.371 5.639 1.00 0.00 C ATOM 823 O PHE A 54 2.706 3.226 6.464 1.00 0.00 O ATOM 824 CB PHE A 54 3.927 1.645 3.855 1.00 0.00 C ATOM 825 CG PHE A 54 2.634 0.895 4.003 1.00 0.00 C ATOM 826 CD1 PHE A 54 1.431 1.575 4.108 1.00 0.00 C ATOM 827 CD2 PHE A 54 2.621 -0.490 4.036 1.00 0.00 C ATOM 828 CE1 PHE A 54 0.240 0.889 4.244 1.00 0.00 C ATOM 829 CE2 PHE A 54 1.432 -1.182 4.171 1.00 0.00 C ATOM 830 CZ PHE A 54 0.240 -0.492 4.276 1.00 0.00 C ATOM 0 H PHE A 54 3.598 0.706 6.368 1.00 0.00 H new ATOM 0 HA PHE A 54 5.486 2.553 5.023 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.781 2.470 3.158 1.00 0.00 H new ATOM 0 HB3 PHE A 54 4.673 0.984 3.415 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.425 2.655 4.083 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.550 -1.035 3.955 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.690 1.432 4.325 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.435 -2.262 4.194 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.690 -1.031 4.383 1.00 0.00 H new ATOM 840 N PRO A 55 3.895 4.563 5.095 1.00 0.00 N ATOM 841 CA PRO A 55 3.161 5.786 5.436 1.00 0.00 C ATOM 842 C PRO A 55 1.734 5.774 4.899 1.00 0.00 C ATOM 843 O PRO A 55 1.489 5.355 3.768 1.00 0.00 O ATOM 844 CB PRO A 55 3.978 6.890 4.760 1.00 0.00 C ATOM 845 CG PRO A 55 4.675 6.209 3.633 1.00 0.00 C ATOM 846 CD PRO A 55 4.957 4.809 4.105 1.00 0.00 C ATOM 0 HA PRO A 55 3.058 5.913 6.514 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.336 7.694 4.400 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.690 7.337 5.454 1.00 0.00 H new ATOM 0 HG2 PRO A 55 4.053 6.201 2.738 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.599 6.727 3.375 1.00 0.00 H new ATOM 0 HD2 PRO A 55 4.916 4.092 3.285 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.948 4.727 4.550 1.00 0.00 H new ATOM 854 N ALA A 56 0.795 6.237 5.718 1.00 0.00 N ATOM 855 CA ALA A 56 -0.608 6.282 5.324 1.00 0.00 C ATOM 856 C ALA A 56 -0.860 7.403 4.321 1.00 0.00 C ATOM 857 O ALA A 56 -1.420 7.174 3.249 1.00 0.00 O ATOM 858 CB ALA A 56 -1.494 6.457 6.548 1.00 0.00 C ATOM 0 H ALA A 56 0.981 6.586 6.658 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.856 5.336 4.842 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.539 6.489 6.239 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.342 5.620 7.230 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.236 7.388 7.054 1.00 0.00 H new ATOM 864 N ALA A 57 -0.446 8.614 4.677 1.00 0.00 N ATOM 865 CA ALA A 57 -0.626 9.770 3.808 1.00 0.00 C ATOM 866 C ALA A 57 -0.267 9.432 2.365 1.00 0.00 C ATOM 867 O ALA A 57 -0.713 10.101 1.431 1.00 0.00 O ATOM 868 CB ALA A 57 0.213 10.939 4.303 1.00 0.00 C ATOM 0 H ALA A 57 0.017 8.820 5.562 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.678 10.055 3.837 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.068 11.795 3.644 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.093 11.204 5.315 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.266 10.656 4.305 1.00 0.00 H new ATOM 874 N TYR A 58 0.540 8.393 2.188 1.00 0.00 N ATOM 875 CA TYR A 58 0.962 7.969 0.859 1.00 0.00 C ATOM 876 C TYR A 58 -0.073 7.041 0.229 1.00 0.00 C ATOM 877 O TYR A 58 -0.344 7.116 -0.969 1.00 0.00 O ATOM 878 CB TYR A 58 2.318 7.264 0.931 1.00 0.00 C ATOM 879 CG TYR A 58 3.490 8.215 1.023 1.00 0.00 C ATOM 880 CD1 TYR A 58 3.496 9.253 1.948 1.00 0.00 C ATOM 881 CD2 TYR A 58 4.589 8.077 0.185 1.00 0.00 C ATOM 882 CE1 TYR A 58 4.565 10.124 2.035 1.00 0.00 C ATOM 883 CE2 TYR A 58 5.662 8.943 0.267 1.00 0.00 C ATOM 884 CZ TYR A 58 5.645 9.965 1.193 1.00 0.00 C ATOM 885 OH TYR A 58 6.712 10.831 1.276 1.00 0.00 O ATOM 0 H TYR A 58 0.916 7.828 2.949 1.00 0.00 H new ATOM 0 HA TYR A 58 1.055 8.858 0.235 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.329 6.602 1.797 1.00 0.00 H new ATOM 0 HB3 TYR A 58 2.439 6.636 0.049 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.652 9.380 2.609 1.00 0.00 H new ATOM 0 HD2 TYR A 58 4.605 7.279 -0.543 1.00 0.00 H new ATOM 0 HE1 TYR A 58 4.555 10.925 2.759 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.510 8.820 -0.391 1.00 0.00 H new ATOM 0 HH TYR A 58 7.389 10.580 0.614 1.00 0.00 H new ATOM 895 N VAL A 59 -0.649 6.165 1.048 1.00 0.00 N ATOM 896 CA VAL A 59 -1.655 5.223 0.574 1.00 0.00 C ATOM 897 C VAL A 59 -3.043 5.601 1.079 1.00 0.00 C ATOM 898 O VAL A 59 -3.215 5.953 2.245 1.00 0.00 O ATOM 899 CB VAL A 59 -1.332 3.785 1.021 1.00 0.00 C ATOM 900 CG1 VAL A 59 0.082 3.403 0.611 1.00 0.00 C ATOM 901 CG2 VAL A 59 -1.518 3.640 2.524 1.00 0.00 C ATOM 0 H VAL A 59 -0.435 6.089 2.042 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.643 5.268 -0.515 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.024 3.105 0.525 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.292 2.384 0.935 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.176 3.465 -0.473 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.793 4.086 1.077 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.286 2.618 2.822 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.851 4.330 3.041 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.551 3.869 2.787 1.00 0.00 H new ATOM 911 N GLU A 60 -4.031 5.526 0.192 1.00 0.00 N ATOM 912 CA GLU A 60 -5.404 5.861 0.549 1.00 0.00 C ATOM 913 C GLU A 60 -6.265 4.604 0.640 1.00 0.00 C ATOM 914 O GLU A 60 -6.280 3.783 -0.277 1.00 0.00 O ATOM 915 CB GLU A 60 -6.000 6.827 -0.477 1.00 0.00 C ATOM 916 CG GLU A 60 -7.519 6.809 -0.520 1.00 0.00 C ATOM 917 CD GLU A 60 -8.104 8.120 -1.006 1.00 0.00 C ATOM 918 OE1 GLU A 60 -8.056 9.109 -0.246 1.00 0.00 O ATOM 919 OE2 GLU A 60 -8.611 8.157 -2.147 1.00 0.00 O ATOM 0 H GLU A 60 -3.906 5.236 -0.778 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.391 6.343 1.527 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.663 7.838 -0.249 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.614 6.577 -1.465 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.851 6.003 -1.174 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.904 6.590 0.476 1.00 0.00 H new ATOM 926 N GLU A 61 -6.979 4.461 1.752 1.00 0.00 N ATOM 927 CA GLU A 61 -7.840 3.304 1.963 1.00 0.00 C ATOM 928 C GLU A 61 -8.860 3.172 0.835 1.00 0.00 C ATOM 929 O GLU A 61 -9.456 4.159 0.403 1.00 0.00 O ATOM 930 CB GLU A 61 -8.562 3.416 3.307 1.00 0.00 C ATOM 931 CG GLU A 61 -8.917 2.073 3.922 1.00 0.00 C ATOM 932 CD GLU A 61 -9.883 2.199 5.084 1.00 0.00 C ATOM 933 OE1 GLU A 61 -9.479 2.745 6.133 1.00 0.00 O ATOM 934 OE2 GLU A 61 -11.041 1.754 4.945 1.00 0.00 O ATOM 0 H GLU A 61 -6.978 5.132 2.520 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.213 2.413 1.969 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.932 3.969 4.003 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.474 3.997 3.172 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.356 1.433 3.157 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.006 1.582 4.264 1.00 0.00 H new ATOM 941 N LEU A 62 -9.054 1.946 0.363 1.00 0.00 N ATOM 942 CA LEU A 62 -10.001 1.683 -0.716 1.00 0.00 C ATOM 943 C LEU A 62 -11.125 0.767 -0.242 1.00 0.00 C ATOM 944 O LEU A 62 -10.956 -0.044 0.669 1.00 0.00 O ATOM 945 CB LEU A 62 -9.282 1.052 -1.909 1.00 0.00 C ATOM 946 CG LEU A 62 -8.225 1.920 -2.592 1.00 0.00 C ATOM 947 CD1 LEU A 62 -7.495 1.128 -3.665 1.00 0.00 C ATOM 948 CD2 LEU A 62 -8.863 3.167 -3.188 1.00 0.00 C ATOM 0 H LEU A 62 -8.569 1.118 0.710 1.00 0.00 H new ATOM 0 HA LEU A 62 -10.437 2.633 -1.024 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.806 0.131 -1.574 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -10.029 0.773 -2.652 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.498 2.231 -1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.747 1.763 -4.140 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.005 0.266 -3.211 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.209 0.786 -4.414 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.096 3.773 -3.670 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.612 2.876 -3.925 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.339 3.746 -2.396 1.00 0.00 H new ATOM 960 N PRO A 63 -12.300 0.895 -0.876 1.00 0.00 N ATOM 961 CA PRO A 63 -13.474 0.085 -0.538 1.00 0.00 C ATOM 962 C PRO A 63 -13.306 -1.376 -0.940 1.00 0.00 C ATOM 963 O PRO A 63 -12.493 -1.702 -1.805 1.00 0.00 O ATOM 964 CB PRO A 63 -14.599 0.736 -1.347 1.00 0.00 C ATOM 965 CG PRO A 63 -13.910 1.392 -2.493 1.00 0.00 C ATOM 966 CD PRO A 63 -12.573 1.840 -1.971 1.00 0.00 C ATOM 0 HA PRO A 63 -13.659 0.065 0.536 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -15.320 -0.006 -1.690 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -15.149 1.462 -0.748 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -13.791 0.699 -3.326 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -14.488 2.239 -2.863 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -11.804 1.794 -2.743 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -12.605 2.870 -1.615 1.00 0.00 H new ATOM 974 N SER A 64 -14.080 -2.252 -0.307 1.00 0.00 N ATOM 975 CA SER A 64 -14.013 -3.680 -0.597 1.00 0.00 C ATOM 976 C SER A 64 -14.021 -3.929 -2.102 1.00 0.00 C ATOM 977 O SER A 64 -14.961 -3.552 -2.800 1.00 0.00 O ATOM 978 CB SER A 64 -15.187 -4.410 0.058 1.00 0.00 C ATOM 979 OG SER A 64 -16.422 -3.991 -0.496 1.00 0.00 O ATOM 0 H SER A 64 -14.760 -1.998 0.409 1.00 0.00 H new ATOM 0 HA SER A 64 -13.080 -4.066 -0.187 1.00 0.00 H new ATOM 0 HB2 SER A 64 -15.071 -5.485 -0.076 1.00 0.00 H new ATOM 0 HB3 SER A 64 -15.184 -4.221 1.131 1.00 0.00 H new ATOM 0 HG SER A 64 -16.268 -3.602 -1.382 1.00 0.00 H new ATOM 985 N ASN A 65 -12.964 -4.568 -2.595 1.00 0.00 N ATOM 986 CA ASN A 65 -12.848 -4.869 -4.017 1.00 0.00 C ATOM 987 C ASN A 65 -12.775 -6.375 -4.251 1.00 0.00 C ATOM 988 O ASN A 65 -11.698 -6.927 -4.474 1.00 0.00 O ATOM 989 CB ASN A 65 -11.608 -4.190 -4.603 1.00 0.00 C ATOM 990 CG ASN A 65 -11.755 -3.897 -6.084 1.00 0.00 C ATOM 991 OD1 ASN A 65 -12.087 -4.782 -6.873 1.00 0.00 O ATOM 992 ND2 ASN A 65 -11.507 -2.650 -6.468 1.00 0.00 N ATOM 0 H ASN A 65 -12.176 -4.887 -2.031 1.00 0.00 H new ATOM 0 HA ASN A 65 -13.736 -4.485 -4.518 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -11.420 -3.259 -4.068 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.739 -4.829 -4.446 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -11.589 -2.393 -7.452 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -11.235 -1.949 -5.779 1.00 0.00 H new ATOM 999 N ALA A 66 -13.929 -7.032 -4.199 1.00 0.00 N ATOM 1000 CA ALA A 66 -13.996 -8.473 -4.408 1.00 0.00 C ATOM 1001 C ALA A 66 -13.618 -8.839 -5.839 1.00 0.00 C ATOM 1002 O ALA A 66 -13.696 -8.009 -6.744 1.00 0.00 O ATOM 1003 CB ALA A 66 -15.390 -8.989 -4.080 1.00 0.00 C ATOM 0 H ALA A 66 -14.829 -6.590 -4.014 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.278 -8.946 -3.738 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -15.426 -10.067 -4.240 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -15.624 -8.769 -3.038 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -16.120 -8.501 -4.726 1.00 0.00 H new ATOM 1009 N GLY A 67 -13.205 -10.088 -6.037 1.00 0.00 N ATOM 1010 CA GLY A 67 -12.819 -10.541 -7.360 1.00 0.00 C ATOM 1011 C GLY A 67 -13.406 -11.896 -7.703 1.00 0.00 C ATOM 1012 O GLY A 67 -14.544 -12.195 -7.344 1.00 0.00 O ATOM 0 H GLY A 67 -13.131 -10.794 -5.304 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -13.144 -9.810 -8.100 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -11.732 -10.594 -7.420 1.00 0.00 H new ATOM 1016 N ASN A 68 -12.628 -12.716 -8.402 1.00 0.00 N ATOM 1017 CA ASN A 68 -13.079 -14.046 -8.796 1.00 0.00 C ATOM 1018 C ASN A 68 -12.595 -15.100 -7.805 1.00 0.00 C ATOM 1019 O ASN A 68 -11.393 -15.319 -7.650 1.00 0.00 O ATOM 1020 CB ASN A 68 -12.576 -14.382 -10.201 1.00 0.00 C ATOM 1021 CG ASN A 68 -13.509 -15.324 -10.939 1.00 0.00 C ATOM 1022 OD1 ASN A 68 -14.667 -15.494 -10.557 1.00 0.00 O ATOM 1023 ND2 ASN A 68 -13.006 -15.942 -12.002 1.00 0.00 N ATOM 0 H ASN A 68 -11.683 -12.483 -8.707 1.00 0.00 H new ATOM 0 HA ASN A 68 -14.169 -14.047 -8.797 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.465 -13.462 -10.774 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.587 -14.835 -10.131 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.586 -16.588 -12.538 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.040 -15.771 -12.282 1.00 0.00 H new ATOM 1030 N THR A 69 -13.540 -15.753 -7.134 1.00 0.00 N ATOM 1031 CA THR A 69 -13.210 -16.783 -6.158 1.00 0.00 C ATOM 1032 C THR A 69 -12.946 -18.121 -6.839 1.00 0.00 C ATOM 1033 O THR A 69 -13.722 -18.561 -7.686 1.00 0.00 O ATOM 1034 CB THR A 69 -14.340 -16.960 -5.125 1.00 0.00 C ATOM 1035 OG1 THR A 69 -13.951 -17.917 -4.133 1.00 0.00 O ATOM 1036 CG2 THR A 69 -15.624 -17.415 -5.801 1.00 0.00 C ATOM 0 H THR A 69 -14.540 -15.586 -7.249 1.00 0.00 H new ATOM 0 HA THR A 69 -12.306 -16.455 -5.645 1.00 0.00 H new ATOM 0 HB THR A 69 -14.521 -15.997 -4.648 1.00 0.00 H new ATOM 0 HG1 THR A 69 -14.673 -18.023 -3.479 1.00 0.00 H new ATOM 0 HG21 THR A 69 -16.407 -17.533 -5.052 1.00 0.00 H new ATOM 0 HG22 THR A 69 -15.933 -16.670 -6.535 1.00 0.00 H new ATOM 0 HG23 THR A 69 -15.454 -18.368 -6.301 1.00 0.00 H new ATOM 1044 N ALA A 70 -11.846 -18.765 -6.461 1.00 0.00 N ATOM 1045 CA ALA A 70 -11.481 -20.055 -7.034 1.00 0.00 C ATOM 1046 C ALA A 70 -12.536 -21.111 -6.723 1.00 0.00 C ATOM 1047 O ALA A 70 -13.273 -20.999 -5.743 1.00 0.00 O ATOM 1048 CB ALA A 70 -10.121 -20.496 -6.515 1.00 0.00 C ATOM 0 H ALA A 70 -11.193 -18.414 -5.761 1.00 0.00 H new ATOM 0 HA ALA A 70 -11.425 -19.942 -8.117 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.861 -21.461 -6.951 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.369 -19.758 -6.792 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.158 -20.586 -5.429 1.00 0.00 H new ATOM 1054 N THR A 71 -12.604 -22.138 -7.566 1.00 0.00 N ATOM 1055 CA THR A 71 -13.570 -23.213 -7.382 1.00 0.00 C ATOM 1056 C THR A 71 -12.876 -24.519 -7.014 1.00 0.00 C ATOM 1057 O THR A 71 -12.749 -25.423 -7.841 1.00 0.00 O ATOM 1058 CB THR A 71 -14.413 -23.434 -8.652 1.00 0.00 C ATOM 1059 OG1 THR A 71 -15.106 -24.684 -8.569 1.00 0.00 O ATOM 1060 CG2 THR A 71 -13.535 -23.418 -9.894 1.00 0.00 C ATOM 0 H THR A 71 -12.002 -22.247 -8.382 1.00 0.00 H new ATOM 0 HA THR A 71 -14.227 -22.911 -6.566 1.00 0.00 H new ATOM 0 HB THR A 71 -15.136 -22.622 -8.727 1.00 0.00 H new ATOM 0 HG1 THR A 71 -14.459 -25.419 -8.594 1.00 0.00 H new ATOM 0 HG21 THR A 71 -14.153 -23.576 -10.778 1.00 0.00 H new ATOM 0 HG22 THR A 71 -13.031 -22.455 -9.971 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.791 -24.212 -9.824 1.00 0.00 H new ATOM 1068 N LYS A 72 -12.427 -24.614 -5.767 1.00 0.00 N ATOM 1069 CA LYS A 72 -11.746 -25.811 -5.286 1.00 0.00 C ATOM 1070 C LYS A 72 -12.503 -27.069 -5.698 1.00 0.00 C ATOM 1071 O LYS A 72 -13.686 -27.011 -6.034 1.00 0.00 O ATOM 1072 CB LYS A 72 -11.602 -25.764 -3.764 1.00 0.00 C ATOM 1073 CG LYS A 72 -10.406 -24.955 -3.290 1.00 0.00 C ATOM 1074 CD LYS A 72 -9.141 -25.795 -3.261 1.00 0.00 C ATOM 1075 CE LYS A 72 -9.162 -26.795 -2.115 1.00 0.00 C ATOM 1076 NZ LYS A 72 -7.855 -27.492 -1.963 1.00 0.00 N ATOM 0 H LYS A 72 -12.523 -23.875 -5.070 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.754 -25.841 -5.737 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -12.510 -25.340 -3.335 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -11.515 -26.782 -3.384 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.260 -24.099 -3.949 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.605 -24.560 -2.294 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.034 -26.326 -4.207 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.273 -25.144 -3.161 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.408 -26.279 -1.187 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.948 -27.530 -2.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.910 -28.165 -1.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.631 -28.006 -2.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.109 -26.793 -1.772 1.00 0.00 H new ATOM 1090 N ALA A 73 -11.814 -28.205 -5.667 1.00 0.00 N ATOM 1091 CA ALA A 73 -12.423 -29.478 -6.033 1.00 0.00 C ATOM 1092 C ALA A 73 -12.852 -30.258 -4.795 1.00 0.00 C ATOM 1093 O ALA A 73 -12.091 -31.068 -4.266 1.00 0.00 O ATOM 1094 CB ALA A 73 -11.458 -30.303 -6.871 1.00 0.00 C ATOM 0 H ALA A 73 -10.834 -28.270 -5.392 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.314 -29.269 -6.625 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.926 -31.251 -7.137 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.205 -29.756 -7.779 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.551 -30.494 -6.298 1.00 0.00 H new ATOM 1100 N SER A 74 -14.074 -30.007 -4.337 1.00 0.00 N ATOM 1101 CA SER A 74 -14.602 -30.682 -3.157 1.00 0.00 C ATOM 1102 C SER A 74 -14.800 -32.171 -3.427 1.00 0.00 C ATOM 1103 O SER A 74 -15.897 -32.612 -3.766 1.00 0.00 O ATOM 1104 CB SER A 74 -15.928 -30.049 -2.732 1.00 0.00 C ATOM 1105 OG SER A 74 -16.872 -30.082 -3.789 1.00 0.00 O ATOM 0 H SER A 74 -14.717 -29.341 -4.765 1.00 0.00 H new ATOM 0 HA SER A 74 -13.878 -30.569 -2.350 1.00 0.00 H new ATOM 0 HB2 SER A 74 -16.327 -30.579 -1.867 1.00 0.00 H new ATOM 0 HB3 SER A 74 -15.759 -29.017 -2.423 1.00 0.00 H new ATOM 0 HG SER A 74 -16.901 -30.983 -4.174 1.00 0.00 H new ATOM 1111 N GLY A 75 -13.727 -32.941 -3.274 1.00 0.00 N ATOM 1112 CA GLY A 75 -13.802 -34.372 -3.504 1.00 0.00 C ATOM 1113 C GLY A 75 -12.580 -34.909 -4.223 1.00 0.00 C ATOM 1114 O GLY A 75 -11.966 -34.225 -5.042 1.00 0.00 O ATOM 0 H GLY A 75 -12.807 -32.599 -2.995 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.912 -34.885 -2.549 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -14.693 -34.596 -4.091 1.00 0.00 H new ATOM 1118 N PRO A 76 -12.210 -36.160 -3.915 1.00 0.00 N ATOM 1119 CA PRO A 76 -11.049 -36.815 -4.525 1.00 0.00 C ATOM 1120 C PRO A 76 -11.275 -37.140 -5.998 1.00 0.00 C ATOM 1121 O PRO A 76 -12.294 -36.765 -6.577 1.00 0.00 O ATOM 1122 CB PRO A 76 -10.899 -38.103 -3.711 1.00 0.00 C ATOM 1123 CG PRO A 76 -12.264 -38.377 -3.182 1.00 0.00 C ATOM 1124 CD PRO A 76 -12.896 -37.033 -2.947 1.00 0.00 C ATOM 0 HA PRO A 76 -10.165 -36.177 -4.506 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -10.543 -38.925 -4.332 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -10.179 -37.979 -2.903 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.847 -38.963 -3.892 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -12.216 -38.952 -2.257 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -13.972 -37.059 -3.121 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -12.747 -36.692 -1.922 1.00 0.00 H new ATOM 1132 N SER A 77 -10.317 -37.840 -6.599 1.00 0.00 N ATOM 1133 CA SER A 77 -10.411 -38.212 -8.006 1.00 0.00 C ATOM 1134 C SER A 77 -11.630 -39.095 -8.254 1.00 0.00 C ATOM 1135 O SER A 77 -12.544 -38.718 -8.988 1.00 0.00 O ATOM 1136 CB SER A 77 -9.140 -38.941 -8.447 1.00 0.00 C ATOM 1137 OG SER A 77 -9.149 -39.180 -9.844 1.00 0.00 O ATOM 0 H SER A 77 -9.468 -38.160 -6.134 1.00 0.00 H new ATOM 0 HA SER A 77 -10.520 -37.300 -8.592 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.265 -38.347 -8.182 1.00 0.00 H new ATOM 0 HB3 SER A 77 -9.056 -39.888 -7.913 1.00 0.00 H new ATOM 0 HG SER A 77 -8.326 -39.645 -10.102 1.00 0.00 H new ATOM 1143 N SER A 78 -11.636 -40.272 -7.637 1.00 0.00 N ATOM 1144 CA SER A 78 -12.740 -41.211 -7.794 1.00 0.00 C ATOM 1145 C SER A 78 -13.991 -40.702 -7.086 1.00 0.00 C ATOM 1146 O SER A 78 -15.080 -40.685 -7.659 1.00 0.00 O ATOM 1147 CB SER A 78 -12.351 -42.585 -7.242 1.00 0.00 C ATOM 1148 OG SER A 78 -11.613 -43.327 -8.197 1.00 0.00 O ATOM 0 H SER A 78 -10.889 -40.598 -7.024 1.00 0.00 H new ATOM 0 HA SER A 78 -12.958 -41.303 -8.858 1.00 0.00 H new ATOM 0 HB2 SER A 78 -11.758 -42.462 -6.335 1.00 0.00 H new ATOM 0 HB3 SER A 78 -13.249 -43.136 -6.963 1.00 0.00 H new ATOM 0 HG SER A 78 -11.375 -44.200 -7.820 1.00 0.00 H new ATOM 1154 N GLY A 79 -13.827 -40.286 -5.833 1.00 0.00 N ATOM 1155 CA GLY A 79 -14.951 -39.781 -5.066 1.00 0.00 C ATOM 1156 C GLY A 79 -15.339 -40.707 -3.930 1.00 0.00 C ATOM 1157 O GLY A 79 -16.138 -40.341 -3.068 1.00 0.00 O ATOM 0 H GLY A 79 -12.936 -40.290 -5.336 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -14.700 -38.800 -4.662 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -15.806 -39.644 -5.728 1.00 0.00 H new TER 1161 GLY A 79