USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 630 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 98 SER OG : rot 180:sc= 0.0142 USER MOD Set 1.2: A 100 SER OG : rot 180:sc= 0.753 USER MOD Set 2.1: A 34 MET CE :methyl 158:sc= -0.961 (180deg=-1.23) USER MOD Set 2.2: A 43 MET CE :methyl -164:sc= -0.108 (180deg=0) USER MOD Single : A -1 HIS : no HD1:sc= -0.0619 X(o=-0.062,f=-0.093) USER MOD Single : A -2 GLY N :NH3+ -128:sc= 0.0504 (180deg=0) USER MOD Single : A 41 SER OG : rot 80:sc= 1.23 USER MOD Single : A 42 LYS NZ :NH3+ -179:sc= 1.18 (180deg=1.18) USER MOD Single : A 49 GLN : amide:sc= 0.983 K(o=0.98,f=-1.2) USER MOD Single : A 50 SER OG : rot 76:sc= 0.0517 USER MOD Single : A 51 HIS : no HD1:sc= 0.842 K(o=0.84,f=-4.2!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0.276 X(o=0.28,f=-0.032) USER MOD Single : A 61 GLN : amide:sc= 0.959 K(o=0.96,f=-5.2!) USER MOD Single : A 64 TYR OH : rot 60:sc= -0.0873 USER MOD Single : A 66 SER OG : rot 68:sc= 0.14 USER MOD Single : A 68 THR OG1 : rot -165:sc= 0.509 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.982! C(o=-0.98!,f=-10!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -170:sc= 0.24 USER MOD Single : A 85 TYR OH : rot 150:sc= 0 USER MOD Single : A 88 SER OG : rot 90:sc= 1.22 USER MOD Single : A 105 CYS SG : rot 74:sc= -1.34! USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 5.988 1.353 -0.743 1.00 0.00 N ATOM 2 CA GLY A -2 5.997 -0.128 -0.651 1.00 0.00 C ATOM 3 C GLY A -2 4.857 -0.770 -1.441 1.00 0.00 C ATOM 4 O GLY A -2 4.137 -0.103 -2.192 1.00 0.00 O ATOM 0 H1 GLY A -2 6.928 1.688 -1.036 1.00 0.00 H new ATOM 0 H2 GLY A -2 5.280 1.653 -1.443 1.00 0.00 H new ATOM 0 H3 GLY A -2 5.750 1.757 0.185 1.00 0.00 H new ATOM 0 HA2 GLY A -2 6.950 -0.506 -1.022 1.00 0.00 H new ATOM 0 HA3 GLY A -2 5.922 -0.424 0.395 1.00 0.00 H new ATOM 10 N HIS A -1 4.684 -2.087 -1.276 1.00 0.00 N ATOM 11 CA HIS A -1 3.636 -2.884 -1.920 1.00 0.00 C ATOM 12 C HIS A -1 3.272 -4.057 -1.007 1.00 0.00 C ATOM 13 O HIS A -1 4.078 -4.446 -0.153 1.00 0.00 O ATOM 14 CB HIS A -1 4.131 -3.377 -3.284 1.00 0.00 C ATOM 15 CG HIS A -1 3.042 -4.029 -4.097 1.00 0.00 C ATOM 16 ND1 HIS A -1 1.822 -3.445 -4.451 1.00 0.00 N ATOM 17 CD2 HIS A -1 3.088 -5.292 -4.604 1.00 0.00 C ATOM 18 CE1 HIS A -1 1.175 -4.368 -5.185 1.00 0.00 C ATOM 19 NE2 HIS A -1 1.913 -5.488 -5.293 1.00 0.00 N ATOM 0 H HIS A -1 5.289 -2.643 -0.672 1.00 0.00 H new ATOM 0 HA HIS A -1 2.745 -2.278 -2.083 1.00 0.00 H new ATOM 0 HB2 HIS A -1 4.542 -2.536 -3.843 1.00 0.00 H new ATOM 0 HB3 HIS A -1 4.943 -4.088 -3.136 1.00 0.00 H new ATOM 0 HD2 HIS A -1 3.892 -6.003 -4.488 1.00 0.00 H new ATOM 0 HE1 HIS A -1 0.199 -4.229 -5.626 1.00 0.00 H new ATOM 0 HE2 HIS A -1 1.648 -6.334 -5.797 1.00 0.00 H new ATOM 27 N MET A 34 2.068 -4.612 -1.167 1.00 0.00 N ATOM 28 CA MET A 34 1.618 -5.756 -0.377 1.00 0.00 C ATOM 29 C MET A 34 2.481 -6.998 -0.688 1.00 0.00 C ATOM 30 O MET A 34 2.946 -7.174 -1.821 1.00 0.00 O ATOM 31 CB MET A 34 0.145 -6.065 -0.679 1.00 0.00 C ATOM 32 CG MET A 34 -0.866 -4.982 -0.276 1.00 0.00 C ATOM 33 SD MET A 34 -1.666 -4.096 -1.653 1.00 0.00 S ATOM 34 CE MET A 34 -3.371 -4.744 -1.608 1.00 0.00 C ATOM 0 H MET A 34 1.382 -4.281 -1.845 1.00 0.00 H new ATOM 0 HA MET A 34 1.722 -5.505 0.679 1.00 0.00 H new ATOM 0 HB2 MET A 34 0.045 -6.248 -1.749 1.00 0.00 H new ATOM 0 HB3 MET A 34 -0.123 -6.991 -0.171 1.00 0.00 H new ATOM 0 HG2 MET A 34 -1.642 -5.444 0.334 1.00 0.00 H new ATOM 0 HG3 MET A 34 -0.357 -4.253 0.354 1.00 0.00 H new ATOM 0 HE1 MET A 34 -4.041 -4.040 -2.101 1.00 0.00 H new ATOM 0 HE2 MET A 34 -3.409 -5.703 -2.124 1.00 0.00 H new ATOM 0 HE3 MET A 34 -3.683 -4.876 -0.572 1.00 0.00 H new ATOM 44 N LEU A 35 2.669 -7.871 0.312 1.00 0.00 N ATOM 45 CA LEU A 35 3.266 -9.204 0.128 1.00 0.00 C ATOM 46 C LEU A 35 2.223 -10.099 -0.555 1.00 0.00 C ATOM 47 O LEU A 35 1.057 -9.726 -0.586 1.00 0.00 O ATOM 48 CB LEU A 35 3.701 -9.807 1.483 1.00 0.00 C ATOM 49 CG LEU A 35 5.104 -9.366 1.956 1.00 0.00 C ATOM 50 CD1 LEU A 35 5.208 -7.858 2.227 1.00 0.00 C ATOM 51 CD2 LEU A 35 5.475 -10.123 3.238 1.00 0.00 C ATOM 0 H LEU A 35 2.410 -7.672 1.278 1.00 0.00 H new ATOM 0 HA LEU A 35 4.160 -9.129 -0.491 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.970 -9.528 2.242 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.682 -10.894 1.406 1.00 0.00 H new ATOM 0 HG LEU A 35 5.793 -9.600 1.144 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.219 -7.616 2.556 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.982 -7.308 1.314 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.497 -7.578 3.004 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.465 -9.811 3.571 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.744 -9.902 4.016 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.480 -11.195 3.039 1.00 0.00 H new ATOM 63 N GLU A 36 2.589 -11.284 -1.062 1.00 0.00 N ATOM 64 CA GLU A 36 1.695 -12.095 -1.900 1.00 0.00 C ATOM 65 C GLU A 36 0.383 -12.392 -1.189 1.00 0.00 C ATOM 66 O GLU A 36 -0.689 -12.099 -1.717 1.00 0.00 O ATOM 67 CB GLU A 36 2.389 -13.394 -2.349 1.00 0.00 C ATOM 68 CG GLU A 36 1.538 -14.284 -3.268 1.00 0.00 C ATOM 69 CD GLU A 36 1.151 -13.614 -4.602 1.00 0.00 C ATOM 70 OE1 GLU A 36 1.948 -12.815 -5.155 1.00 0.00 O ATOM 71 OE2 GLU A 36 0.038 -13.891 -5.108 1.00 0.00 O ATOM 0 H GLU A 36 3.505 -11.705 -0.905 1.00 0.00 H new ATOM 0 HA GLU A 36 1.460 -11.513 -2.791 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.313 -13.137 -2.866 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.667 -13.967 -1.465 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.087 -15.202 -3.479 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.629 -14.571 -2.740 1.00 0.00 H new ATOM 78 N ALA A 37 0.460 -12.937 0.024 1.00 0.00 N ATOM 79 CA ALA A 37 -0.742 -13.317 0.755 1.00 0.00 C ATOM 80 C ALA A 37 -1.510 -12.078 1.232 1.00 0.00 C ATOM 81 O ALA A 37 -2.739 -12.097 1.278 1.00 0.00 O ATOM 82 CB ALA A 37 -0.399 -14.247 1.923 1.00 0.00 C ATOM 0 H ALA A 37 1.334 -13.123 0.515 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.394 -13.866 0.075 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.312 -14.517 2.453 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.079 -15.149 1.541 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.280 -13.738 2.606 1.00 0.00 H new ATOM 88 N ASP A 38 -0.809 -10.993 1.569 1.00 0.00 N ATOM 89 CA ASP A 38 -1.432 -9.757 2.037 1.00 0.00 C ATOM 90 C ASP A 38 -2.192 -9.057 0.903 1.00 0.00 C ATOM 91 O ASP A 38 -3.300 -8.561 1.107 1.00 0.00 O ATOM 92 CB ASP A 38 -0.359 -8.838 2.624 1.00 0.00 C ATOM 93 CG ASP A 38 -0.981 -7.602 3.293 1.00 0.00 C ATOM 94 OD1 ASP A 38 -1.718 -7.761 4.296 1.00 0.00 O ATOM 95 OD2 ASP A 38 -0.731 -6.464 2.830 1.00 0.00 O ATOM 0 H ASP A 38 0.209 -10.949 1.524 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.158 -9.999 2.813 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.234 -9.389 3.354 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.322 -8.521 1.834 1.00 0.00 H new ATOM 100 N LEU A 39 -1.625 -9.084 -0.312 1.00 0.00 N ATOM 101 CA LEU A 39 -2.173 -8.512 -1.535 1.00 0.00 C ATOM 102 C LEU A 39 -3.539 -9.117 -1.793 1.00 0.00 C ATOM 103 O LEU A 39 -4.545 -8.402 -1.849 1.00 0.00 O ATOM 104 CB LEU A 39 -1.228 -8.828 -2.715 1.00 0.00 C ATOM 105 CG LEU A 39 -1.733 -8.365 -4.097 1.00 0.00 C ATOM 106 CD1 LEU A 39 -1.526 -6.865 -4.299 1.00 0.00 C ATOM 107 CD2 LEU A 39 -0.978 -9.114 -5.201 1.00 0.00 C ATOM 0 H LEU A 39 -0.722 -9.532 -0.468 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.267 -7.431 -1.432 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.262 -8.361 -2.523 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.060 -9.904 -2.748 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.800 -8.581 -4.146 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.894 -6.576 -5.284 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.072 -6.316 -3.532 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.464 -6.631 -4.226 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.337 -8.784 -6.176 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.089 -8.906 -5.118 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.148 -10.186 -5.095 1.00 0.00 H new ATOM 119 N VAL A 40 -3.555 -10.439 -1.935 1.00 0.00 N ATOM 120 CA VAL A 40 -4.742 -11.171 -2.314 1.00 0.00 C ATOM 121 C VAL A 40 -5.784 -11.044 -1.201 1.00 0.00 C ATOM 122 O VAL A 40 -6.939 -10.770 -1.507 1.00 0.00 O ATOM 123 CB VAL A 40 -4.357 -12.616 -2.707 1.00 0.00 C ATOM 124 CG1 VAL A 40 -3.349 -12.570 -3.869 1.00 0.00 C ATOM 125 CG2 VAL A 40 -3.790 -13.430 -1.538 1.00 0.00 C ATOM 0 H VAL A 40 -2.736 -11.029 -1.788 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.213 -10.754 -3.204 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.270 -13.126 -3.015 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.073 -13.586 -4.152 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.801 -12.066 -4.723 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.458 -12.025 -3.556 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.540 -14.434 -1.881 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.892 -12.943 -1.157 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.534 -13.493 -0.744 1.00 0.00 H new ATOM 135 N SER A 41 -5.393 -11.122 0.081 1.00 0.00 N ATOM 136 CA SER A 41 -6.338 -11.041 1.192 1.00 0.00 C ATOM 137 C SER A 41 -6.998 -9.662 1.287 1.00 0.00 C ATOM 138 O SER A 41 -8.220 -9.599 1.402 1.00 0.00 O ATOM 139 CB SER A 41 -5.655 -11.416 2.517 1.00 0.00 C ATOM 140 OG SER A 41 -5.124 -12.733 2.439 1.00 0.00 O ATOM 0 H SER A 41 -4.422 -11.242 0.369 1.00 0.00 H new ATOM 0 HA SER A 41 -7.131 -11.763 0.996 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.857 -10.707 2.737 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.372 -11.353 3.335 1.00 0.00 H new ATOM 0 HG SER A 41 -4.270 -12.714 1.958 1.00 0.00 H new ATOM 146 N LYS A 42 -6.251 -8.555 1.190 1.00 0.00 N ATOM 147 CA LYS A 42 -6.853 -7.217 1.283 1.00 0.00 C ATOM 148 C LYS A 42 -7.725 -6.945 0.067 1.00 0.00 C ATOM 149 O LYS A 42 -8.813 -6.409 0.236 1.00 0.00 O ATOM 150 CB LYS A 42 -5.767 -6.135 1.415 1.00 0.00 C ATOM 151 CG LYS A 42 -5.223 -6.081 2.851 1.00 0.00 C ATOM 152 CD LYS A 42 -4.029 -5.122 2.920 1.00 0.00 C ATOM 153 CE LYS A 42 -3.481 -5.051 4.355 1.00 0.00 C ATOM 154 NZ LYS A 42 -2.087 -4.543 4.388 1.00 0.00 N ATOM 0 H LYS A 42 -5.241 -8.557 1.049 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.476 -7.185 2.177 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.953 -6.343 0.721 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.179 -5.164 1.141 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.006 -5.751 3.534 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.919 -7.077 3.172 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.245 -5.457 2.241 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.333 -4.128 2.590 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.119 -4.402 4.956 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.518 -6.042 4.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.747 -4.526 5.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.477 -5.166 3.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.059 -3.581 3.995 1.00 0.00 H new ATOM 168 N MET A 43 -7.306 -7.327 -1.139 1.00 0.00 N ATOM 169 CA MET A 43 -8.115 -7.068 -2.328 1.00 0.00 C ATOM 170 C MET A 43 -9.378 -7.933 -2.317 1.00 0.00 C ATOM 171 O MET A 43 -10.466 -7.410 -2.534 1.00 0.00 O ATOM 172 CB MET A 43 -7.277 -7.249 -3.598 1.00 0.00 C ATOM 173 CG MET A 43 -6.253 -6.113 -3.734 1.00 0.00 C ATOM 174 SD MET A 43 -5.387 -6.054 -5.324 1.00 0.00 S ATOM 175 CE MET A 43 -4.337 -4.598 -5.098 1.00 0.00 C ATOM 0 H MET A 43 -6.425 -7.809 -1.317 1.00 0.00 H new ATOM 0 HA MET A 43 -8.447 -6.030 -2.318 1.00 0.00 H new ATOM 0 HB2 MET A 43 -6.762 -8.209 -3.567 1.00 0.00 H new ATOM 0 HB3 MET A 43 -7.929 -7.265 -4.471 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.764 -5.163 -3.579 1.00 0.00 H new ATOM 0 HG3 MET A 43 -5.515 -6.211 -2.938 1.00 0.00 H new ATOM 0 HE1 MET A 43 -3.963 -4.265 -6.066 1.00 0.00 H new ATOM 0 HE2 MET A 43 -4.918 -3.798 -4.639 1.00 0.00 H new ATOM 0 HE3 MET A 43 -3.496 -4.852 -4.452 1.00 0.00 H new ATOM 185 N LEU A 44 -9.276 -9.216 -1.956 1.00 0.00 N ATOM 186 CA LEU A 44 -10.410 -10.106 -1.695 1.00 0.00 C ATOM 187 C LEU A 44 -11.395 -9.418 -0.756 1.00 0.00 C ATOM 188 O LEU A 44 -12.562 -9.215 -1.085 1.00 0.00 O ATOM 189 CB LEU A 44 -9.862 -11.401 -1.061 1.00 0.00 C ATOM 190 CG LEU A 44 -10.894 -12.352 -0.440 1.00 0.00 C ATOM 191 CD1 LEU A 44 -11.684 -13.052 -1.538 1.00 0.00 C ATOM 192 CD2 LEU A 44 -10.197 -13.385 0.443 1.00 0.00 C ATOM 0 H LEU A 44 -8.374 -9.677 -1.834 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.936 -10.345 -2.619 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.311 -11.948 -1.826 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.145 -11.125 -0.288 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.581 -11.771 0.176 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.414 -13.725 -1.088 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.201 -12.309 -2.145 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.003 -13.624 -2.168 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.940 -14.053 0.877 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.496 -13.964 -0.158 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.656 -12.876 1.241 1.00 0.00 H new ATOM 204 N ARG A 45 -10.896 -9.018 0.409 1.00 0.00 N ATOM 205 CA ARG A 45 -11.648 -8.304 1.423 1.00 0.00 C ATOM 206 C ARG A 45 -12.312 -7.068 0.842 1.00 0.00 C ATOM 207 O ARG A 45 -13.483 -6.844 1.121 1.00 0.00 O ATOM 208 CB ARG A 45 -10.666 -8.020 2.564 1.00 0.00 C ATOM 209 CG ARG A 45 -11.067 -6.923 3.547 1.00 0.00 C ATOM 210 CD ARG A 45 -10.517 -5.534 3.182 1.00 0.00 C ATOM 211 NE ARG A 45 -10.391 -4.765 4.424 1.00 0.00 N ATOM 212 CZ ARG A 45 -10.280 -3.450 4.613 1.00 0.00 C ATOM 213 NH1 ARG A 45 -10.114 -2.608 3.592 1.00 0.00 N ATOM 214 NH2 ARG A 45 -10.340 -3.017 5.864 1.00 0.00 N ATOM 0 H ARG A 45 -9.927 -9.189 0.677 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.481 -8.889 1.812 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -10.517 -8.943 3.124 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.703 -7.753 2.128 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -12.155 -6.872 3.596 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.715 -7.193 4.543 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.550 -5.623 2.688 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.186 -5.029 2.485 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.388 -5.324 5.277 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.069 -2.966 2.638 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.032 -1.606 3.765 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.466 -3.681 6.628 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.260 -2.020 6.063 1.00 0.00 H new ATOM 228 N ALA A 46 -11.609 -6.273 0.039 1.00 0.00 N ATOM 229 CA ALA A 46 -12.164 -5.032 -0.459 1.00 0.00 C ATOM 230 C ALA A 46 -13.326 -5.295 -1.410 1.00 0.00 C ATOM 231 O ALA A 46 -14.352 -4.626 -1.294 1.00 0.00 O ATOM 232 CB ALA A 46 -11.067 -4.203 -1.136 1.00 0.00 C ATOM 0 H ALA A 46 -10.659 -6.471 -0.276 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.557 -4.462 0.383 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.493 -3.271 -1.508 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.281 -3.980 -0.414 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.646 -4.767 -1.968 1.00 0.00 H new ATOM 238 N VAL A 47 -13.212 -6.292 -2.293 1.00 0.00 N ATOM 239 CA VAL A 47 -14.316 -6.668 -3.169 1.00 0.00 C ATOM 240 C VAL A 47 -15.504 -7.083 -2.299 1.00 0.00 C ATOM 241 O VAL A 47 -16.628 -6.647 -2.539 1.00 0.00 O ATOM 242 CB VAL A 47 -13.873 -7.787 -4.132 1.00 0.00 C ATOM 243 CG1 VAL A 47 -15.024 -8.293 -5.010 1.00 0.00 C ATOM 244 CG2 VAL A 47 -12.768 -7.284 -5.077 1.00 0.00 C ATOM 0 H VAL A 47 -12.367 -6.849 -2.417 1.00 0.00 H new ATOM 0 HA VAL A 47 -14.621 -5.825 -3.789 1.00 0.00 H new ATOM 0 HB VAL A 47 -13.514 -8.599 -3.500 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -14.659 -9.080 -5.670 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -15.818 -8.689 -4.377 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -15.414 -7.470 -5.608 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -12.469 -8.089 -5.749 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -13.144 -6.444 -5.662 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -11.907 -6.962 -4.491 1.00 0.00 H new ATOM 254 N LEU A 48 -15.266 -7.880 -1.255 1.00 0.00 N ATOM 255 CA LEU A 48 -16.322 -8.366 -0.380 1.00 0.00 C ATOM 256 C LEU A 48 -16.983 -7.219 0.394 1.00 0.00 C ATOM 257 O LEU A 48 -18.194 -7.255 0.602 1.00 0.00 O ATOM 258 CB LEU A 48 -15.739 -9.388 0.601 1.00 0.00 C ATOM 259 CG LEU A 48 -15.257 -10.676 -0.077 1.00 0.00 C ATOM 260 CD1 LEU A 48 -14.280 -11.386 0.852 1.00 0.00 C ATOM 261 CD2 LEU A 48 -16.433 -11.609 -0.350 1.00 0.00 C ATOM 0 H LEU A 48 -14.334 -8.204 -0.997 1.00 0.00 H new ATOM 0 HA LEU A 48 -17.088 -8.836 -0.997 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -14.905 -8.933 1.135 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.495 -9.639 1.345 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.777 -10.419 -1.021 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -13.931 -12.304 0.380 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.429 -10.734 1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -14.780 -11.628 1.790 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -16.072 -12.518 -0.831 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -16.920 -11.865 0.591 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -17.148 -11.111 -1.005 1.00 0.00 H new ATOM 273 N GLN A 49 -16.219 -6.206 0.818 1.00 0.00 N ATOM 274 CA GLN A 49 -16.765 -5.048 1.518 1.00 0.00 C ATOM 275 C GLN A 49 -17.661 -4.228 0.580 1.00 0.00 C ATOM 276 O GLN A 49 -18.725 -3.779 1.011 1.00 0.00 O ATOM 277 CB GLN A 49 -15.634 -4.172 2.102 1.00 0.00 C ATOM 278 CG GLN A 49 -14.965 -4.761 3.359 1.00 0.00 C ATOM 279 CD GLN A 49 -15.864 -4.798 4.604 1.00 0.00 C ATOM 280 OE1 GLN A 49 -17.007 -4.348 4.597 1.00 0.00 O ATOM 281 NE2 GLN A 49 -15.372 -5.340 5.707 1.00 0.00 N ATOM 0 H GLN A 49 -15.208 -6.170 0.684 1.00 0.00 H new ATOM 0 HA GLN A 49 -17.373 -5.406 2.348 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -14.873 -4.022 1.336 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -16.039 -3.190 2.346 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -14.633 -5.775 3.136 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -14.074 -4.177 3.588 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -14.423 -5.714 5.712 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -15.942 -5.384 6.552 1.00 0.00 H new ATOM 290 N SER A 50 -17.274 -4.057 -0.690 1.00 0.00 N ATOM 291 CA SER A 50 -18.130 -3.420 -1.688 1.00 0.00 C ATOM 292 C SER A 50 -19.386 -4.265 -1.957 1.00 0.00 C ATOM 293 O SER A 50 -20.474 -3.710 -2.132 1.00 0.00 O ATOM 294 CB SER A 50 -17.346 -3.211 -2.986 1.00 0.00 C ATOM 295 OG SER A 50 -16.195 -2.405 -2.751 1.00 0.00 O ATOM 0 H SER A 50 -16.367 -4.354 -1.049 1.00 0.00 H new ATOM 0 HA SER A 50 -18.450 -2.453 -1.301 1.00 0.00 H new ATOM 0 HB2 SER A 50 -17.044 -4.175 -3.395 1.00 0.00 H new ATOM 0 HB3 SER A 50 -17.984 -2.735 -3.730 1.00 0.00 H new ATOM 0 HG SER A 50 -15.503 -2.943 -2.312 1.00 0.00 H new ATOM 301 N HIS A 51 -19.260 -5.595 -1.941 1.00 0.00 N ATOM 302 CA HIS A 51 -20.294 -6.519 -2.387 1.00 0.00 C ATOM 303 C HIS A 51 -20.983 -7.142 -1.174 1.00 0.00 C ATOM 304 O HIS A 51 -20.913 -8.352 -0.960 1.00 0.00 O ATOM 305 CB HIS A 51 -19.682 -7.553 -3.348 1.00 0.00 C ATOM 306 CG HIS A 51 -19.145 -6.987 -4.648 1.00 0.00 C ATOM 307 ND1 HIS A 51 -18.939 -5.639 -4.968 1.00 0.00 N ATOM 308 CD2 HIS A 51 -18.780 -7.743 -5.720 1.00 0.00 C ATOM 309 CE1 HIS A 51 -18.448 -5.631 -6.218 1.00 0.00 C ATOM 310 NE2 HIS A 51 -18.361 -6.877 -6.703 1.00 0.00 N ATOM 0 H HIS A 51 -18.417 -6.064 -1.610 1.00 0.00 H new ATOM 0 HA HIS A 51 -21.068 -5.994 -2.947 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -18.872 -8.069 -2.833 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -20.439 -8.301 -3.581 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -18.813 -8.820 -5.786 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -18.162 -4.741 -6.759 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -18.041 -7.137 -7.636 1.00 0.00 H new ATOM 318 N LYS A 52 -21.668 -6.322 -0.363 1.00 0.00 N ATOM 319 CA LYS A 52 -22.346 -6.772 0.864 1.00 0.00 C ATOM 320 C LYS A 52 -23.414 -7.838 0.636 1.00 0.00 C ATOM 321 O LYS A 52 -23.695 -8.620 1.545 1.00 0.00 O ATOM 322 CB LYS A 52 -23.010 -5.576 1.558 1.00 0.00 C ATOM 323 CG LYS A 52 -22.034 -4.592 2.219 1.00 0.00 C ATOM 324 CD LYS A 52 -21.194 -5.248 3.335 1.00 0.00 C ATOM 325 CE LYS A 52 -20.299 -4.244 4.083 1.00 0.00 C ATOM 326 NZ LYS A 52 -21.065 -3.304 4.950 1.00 0.00 N ATOM 0 H LYS A 52 -21.768 -5.323 -0.540 1.00 0.00 H new ATOM 0 HA LYS A 52 -21.566 -7.221 1.479 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -23.609 -5.035 0.825 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -23.697 -5.950 2.317 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -21.367 -4.183 1.460 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -22.594 -3.755 2.636 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -21.862 -5.732 4.048 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -20.570 -6.029 2.901 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -19.584 -4.792 4.696 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -19.723 -3.670 3.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -20.406 -2.655 5.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -21.730 -2.757 4.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -21.595 -3.844 5.664 1.00 0.00 H new ATOM 340 N ASN A 53 -23.990 -7.892 -0.570 1.00 0.00 N ATOM 341 CA ASN A 53 -24.893 -8.966 -0.991 1.00 0.00 C ATOM 342 C ASN A 53 -24.229 -10.348 -0.897 1.00 0.00 C ATOM 343 O ASN A 53 -24.924 -11.361 -0.823 1.00 0.00 O ATOM 344 CB ASN A 53 -25.332 -8.673 -2.434 1.00 0.00 C ATOM 345 CG ASN A 53 -26.088 -9.827 -3.083 1.00 0.00 C ATOM 346 OD1 ASN A 53 -27.308 -9.933 -2.977 1.00 0.00 O ATOM 347 ND2 ASN A 53 -25.376 -10.709 -3.769 1.00 0.00 N ATOM 0 H ASN A 53 -23.840 -7.183 -1.288 1.00 0.00 H new ATOM 0 HA ASN A 53 -25.755 -8.993 -0.324 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -25.964 -7.785 -2.440 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -24.452 -8.442 -3.034 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -25.839 -11.496 -4.223 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -24.364 -10.601 -3.843 1.00 0.00 H new ATOM 354 N GLY A 54 -22.896 -10.393 -0.883 1.00 0.00 N ATOM 355 CA GLY A 54 -22.109 -11.596 -0.981 1.00 0.00 C ATOM 356 C GLY A 54 -21.917 -11.985 -2.437 1.00 0.00 C ATOM 357 O GLY A 54 -22.567 -11.444 -3.335 1.00 0.00 O ATOM 0 H GLY A 54 -22.324 -9.552 -0.799 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -21.139 -11.443 -0.508 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -22.602 -12.406 -0.443 1.00 0.00 H new ATOM 361 N ILE A 55 -20.999 -12.919 -2.671 1.00 0.00 N ATOM 362 CA ILE A 55 -20.611 -13.386 -3.994 1.00 0.00 C ATOM 363 C ILE A 55 -20.326 -14.873 -3.865 1.00 0.00 C ATOM 364 O ILE A 55 -19.542 -15.279 -3.016 1.00 0.00 O ATOM 365 CB ILE A 55 -19.403 -12.574 -4.548 1.00 0.00 C ATOM 366 CG1 ILE A 55 -18.390 -12.092 -3.479 1.00 0.00 C ATOM 367 CG2 ILE A 55 -19.884 -11.354 -5.343 1.00 0.00 C ATOM 368 CD1 ILE A 55 -17.269 -11.174 -4.005 1.00 0.00 C ATOM 0 H ILE A 55 -20.490 -13.385 -1.920 1.00 0.00 H new ATOM 0 HA ILE A 55 -21.407 -13.230 -4.723 1.00 0.00 H new ATOM 0 HB ILE A 55 -18.875 -13.283 -5.186 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -18.935 -11.562 -2.698 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -17.934 -12.966 -3.013 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -19.023 -10.803 -5.720 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -20.498 -11.685 -6.181 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -20.474 -10.706 -4.694 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -16.613 -10.892 -3.181 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -16.692 -11.703 -4.763 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -17.708 -10.278 -4.443 1.00 0.00 H new ATOM 380 N VAL A 56 -21.011 -15.690 -4.666 1.00 0.00 N ATOM 381 CA VAL A 56 -20.843 -17.146 -4.709 1.00 0.00 C ATOM 382 C VAL A 56 -19.409 -17.486 -5.115 1.00 0.00 C ATOM 383 O VAL A 56 -18.838 -16.703 -5.858 1.00 0.00 O ATOM 384 CB VAL A 56 -21.906 -17.749 -5.659 1.00 0.00 C ATOM 385 CG1 VAL A 56 -23.313 -17.652 -5.059 1.00 0.00 C ATOM 386 CG2 VAL A 56 -21.912 -17.099 -7.058 1.00 0.00 C ATOM 0 H VAL A 56 -21.716 -15.350 -5.320 1.00 0.00 H new ATOM 0 HA VAL A 56 -21.001 -17.587 -3.725 1.00 0.00 H new ATOM 0 HB VAL A 56 -21.624 -18.795 -5.777 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -24.035 -18.084 -5.752 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -23.345 -18.197 -4.115 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -23.562 -16.606 -4.882 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -22.680 -17.568 -7.674 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -22.123 -16.034 -6.963 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -20.938 -17.236 -7.527 1.00 0.00 H new ATOM 396 N LEU A 57 -18.808 -18.615 -4.711 1.00 0.00 N ATOM 397 CA LEU A 57 -17.372 -18.863 -4.982 1.00 0.00 C ATOM 398 C LEU A 57 -16.906 -18.644 -6.442 1.00 0.00 C ATOM 399 O LEU A 57 -15.802 -18.132 -6.603 1.00 0.00 O ATOM 400 CB LEU A 57 -16.792 -20.151 -4.338 1.00 0.00 C ATOM 401 CG LEU A 57 -16.870 -21.502 -5.094 1.00 0.00 C ATOM 402 CD1 LEU A 57 -15.941 -21.600 -6.317 1.00 0.00 C ATOM 403 CD2 LEU A 57 -16.459 -22.626 -4.133 1.00 0.00 C ATOM 0 H LEU A 57 -19.279 -19.364 -4.203 1.00 0.00 H new ATOM 0 HA LEU A 57 -16.908 -18.041 -4.437 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -15.740 -19.960 -4.124 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -17.293 -20.287 -3.380 1.00 0.00 H new ATOM 0 HG LEU A 57 -17.897 -21.586 -5.450 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -16.059 -22.577 -6.786 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -16.199 -20.820 -7.033 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -14.906 -21.473 -5.999 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -16.509 -23.584 -4.651 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -15.440 -22.454 -3.786 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -17.136 -22.640 -3.279 1.00 0.00 H new ATOM 415 N PRO A 58 -17.665 -18.940 -7.522 1.00 0.00 N ATOM 416 CA PRO A 58 -17.186 -18.618 -8.873 1.00 0.00 C ATOM 417 C PRO A 58 -17.271 -17.109 -9.157 1.00 0.00 C ATOM 418 O PRO A 58 -16.369 -16.527 -9.761 1.00 0.00 O ATOM 419 CB PRO A 58 -18.049 -19.452 -9.823 1.00 0.00 C ATOM 420 CG PRO A 58 -19.351 -19.673 -9.054 1.00 0.00 C ATOM 421 CD PRO A 58 -18.891 -19.735 -7.598 1.00 0.00 C ATOM 0 HA PRO A 58 -16.131 -18.860 -9.001 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -18.226 -18.929 -10.763 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -17.568 -20.398 -10.071 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -20.059 -18.860 -9.218 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -19.847 -20.594 -9.359 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -19.655 -19.336 -6.931 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -18.707 -20.765 -7.292 1.00 0.00 H new ATOM 429 N ARG A 59 -18.319 -16.438 -8.660 1.00 0.00 N ATOM 430 CA ARG A 59 -18.468 -14.982 -8.752 1.00 0.00 C ATOM 431 C ARG A 59 -17.409 -14.288 -7.899 1.00 0.00 C ATOM 432 O ARG A 59 -16.936 -13.223 -8.276 1.00 0.00 O ATOM 433 CB ARG A 59 -19.907 -14.606 -8.349 1.00 0.00 C ATOM 434 CG ARG A 59 -20.272 -13.153 -8.683 1.00 0.00 C ATOM 435 CD ARG A 59 -21.751 -12.847 -8.399 1.00 0.00 C ATOM 436 NE ARG A 59 -22.082 -11.450 -8.745 1.00 0.00 N ATOM 437 CZ ARG A 59 -23.307 -10.898 -8.714 1.00 0.00 C ATOM 438 NH1 ARG A 59 -24.372 -11.610 -8.345 1.00 0.00 N ATOM 439 NH2 ARG A 59 -23.462 -9.622 -9.055 1.00 0.00 N ATOM 0 H ARG A 59 -19.093 -16.896 -8.179 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.307 -14.641 -9.775 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -20.605 -15.274 -8.855 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -20.031 -14.767 -7.278 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -19.645 -12.479 -8.100 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -20.058 -12.958 -9.734 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -22.382 -13.526 -8.972 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -21.966 -13.025 -7.345 1.00 0.00 H new ATOM 0 HE ARG A 59 -21.310 -10.849 -9.034 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -24.264 -12.589 -8.081 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -25.295 -11.176 -8.327 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -22.654 -9.068 -9.338 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -24.389 -9.197 -9.034 1.00 0.00 H new ATOM 453 N LEU A 60 -17.004 -14.909 -6.782 1.00 0.00 N ATOM 454 CA LEU A 60 -15.909 -14.455 -5.940 1.00 0.00 C ATOM 455 C LEU A 60 -14.674 -14.350 -6.814 1.00 0.00 C ATOM 456 O LEU A 60 -14.150 -13.252 -6.941 1.00 0.00 O ATOM 457 CB LEU A 60 -15.691 -15.402 -4.733 1.00 0.00 C ATOM 458 CG LEU A 60 -14.604 -15.007 -3.717 1.00 0.00 C ATOM 459 CD1 LEU A 60 -13.167 -15.198 -4.214 1.00 0.00 C ATOM 460 CD2 LEU A 60 -14.817 -13.583 -3.213 1.00 0.00 C ATOM 0 H LEU A 60 -17.446 -15.762 -6.438 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.139 -13.480 -5.510 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.637 -15.491 -4.198 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -15.449 -16.392 -5.120 1.00 0.00 H new ATOM 0 HG LEU A 60 -14.720 -15.706 -2.889 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.469 -14.895 -3.434 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.003 -16.247 -4.460 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.005 -14.588 -5.103 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.035 -13.330 -2.497 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -14.778 -12.890 -4.053 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -15.791 -13.510 -2.728 1.00 0.00 H new ATOM 472 N GLN A 61 -14.261 -15.455 -7.452 1.00 0.00 N ATOM 473 CA GLN A 61 -13.124 -15.490 -8.370 1.00 0.00 C ATOM 474 C GLN A 61 -13.207 -14.375 -9.414 1.00 0.00 C ATOM 475 O GLN A 61 -12.225 -13.654 -9.595 1.00 0.00 O ATOM 476 CB GLN A 61 -13.025 -16.874 -9.043 1.00 0.00 C ATOM 477 CG GLN A 61 -12.121 -17.864 -8.290 1.00 0.00 C ATOM 478 CD GLN A 61 -10.673 -17.764 -8.789 1.00 0.00 C ATOM 479 OE1 GLN A 61 -10.068 -16.702 -8.734 1.00 0.00 O ATOM 480 NE2 GLN A 61 -10.071 -18.837 -9.289 1.00 0.00 N ATOM 0 H GLN A 61 -14.717 -16.360 -7.340 1.00 0.00 H new ATOM 0 HA GLN A 61 -12.217 -15.319 -7.790 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -14.025 -17.300 -9.127 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -12.646 -16.749 -10.057 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -12.157 -17.656 -7.221 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -12.490 -18.880 -8.430 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -10.570 -19.725 -9.338 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -9.110 -18.773 -9.624 1.00 0.00 H new ATOM 489 N GLY A 62 -14.359 -14.209 -10.073 1.00 0.00 N ATOM 490 CA GLY A 62 -14.527 -13.205 -11.114 1.00 0.00 C ATOM 491 C GLY A 62 -14.272 -11.790 -10.582 1.00 0.00 C ATOM 492 O GLY A 62 -13.408 -11.083 -11.100 1.00 0.00 O ATOM 0 H GLY A 62 -15.194 -14.767 -9.896 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -13.842 -13.414 -11.936 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.537 -13.265 -11.518 1.00 0.00 H new ATOM 496 N GLU A 63 -14.992 -11.375 -9.535 1.00 0.00 N ATOM 497 CA GLU A 63 -14.925 -9.997 -9.040 1.00 0.00 C ATOM 498 C GLU A 63 -13.577 -9.718 -8.348 1.00 0.00 C ATOM 499 O GLU A 63 -12.981 -8.647 -8.530 1.00 0.00 O ATOM 500 CB GLU A 63 -16.096 -9.734 -8.079 1.00 0.00 C ATOM 501 CG GLU A 63 -17.469 -9.782 -8.767 1.00 0.00 C ATOM 502 CD GLU A 63 -17.624 -8.652 -9.801 1.00 0.00 C ATOM 503 OE1 GLU A 63 -17.694 -7.471 -9.385 1.00 0.00 O ATOM 504 OE2 GLU A 63 -17.677 -8.941 -11.020 1.00 0.00 O ATOM 0 H GLU A 63 -15.630 -11.976 -9.013 1.00 0.00 H new ATOM 0 HA GLU A 63 -15.003 -9.319 -9.890 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -16.073 -10.473 -7.278 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -15.964 -8.757 -7.615 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -17.597 -10.746 -9.259 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -18.256 -9.700 -8.017 1.00 0.00 H new ATOM 511 N TYR A 64 -13.079 -10.704 -7.590 1.00 0.00 N ATOM 512 CA TYR A 64 -11.732 -10.704 -7.037 1.00 0.00 C ATOM 513 C TYR A 64 -10.742 -10.369 -8.143 1.00 0.00 C ATOM 514 O TYR A 64 -9.982 -9.410 -8.010 1.00 0.00 O ATOM 515 CB TYR A 64 -11.434 -12.075 -6.411 1.00 0.00 C ATOM 516 CG TYR A 64 -9.974 -12.339 -6.138 1.00 0.00 C ATOM 517 CD1 TYR A 64 -9.182 -12.928 -7.139 1.00 0.00 C ATOM 518 CD2 TYR A 64 -9.402 -12.006 -4.898 1.00 0.00 C ATOM 519 CE1 TYR A 64 -7.822 -13.155 -6.910 1.00 0.00 C ATOM 520 CE2 TYR A 64 -8.045 -12.267 -4.652 1.00 0.00 C ATOM 521 CZ TYR A 64 -7.250 -12.845 -5.666 1.00 0.00 C ATOM 522 OH TYR A 64 -5.934 -13.102 -5.460 1.00 0.00 O ATOM 0 H TYR A 64 -13.616 -11.535 -7.344 1.00 0.00 H new ATOM 0 HA TYR A 64 -11.642 -9.951 -6.254 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -11.986 -12.159 -5.475 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -11.812 -12.852 -7.075 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -9.624 -13.205 -8.085 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -10.009 -11.547 -4.131 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -7.208 -13.571 -7.695 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.611 -12.027 -3.692 1.00 0.00 H new ATOM 0 HH TYR A 64 -5.397 -12.599 -6.108 1.00 0.00 H new ATOM 532 N ARG A 65 -10.793 -11.119 -9.247 1.00 0.00 N ATOM 533 CA ARG A 65 -9.856 -10.968 -10.341 1.00 0.00 C ATOM 534 C ARG A 65 -10.001 -9.602 -10.998 1.00 0.00 C ATOM 535 O ARG A 65 -8.980 -9.030 -11.387 1.00 0.00 O ATOM 536 CB ARG A 65 -10.023 -12.126 -11.328 1.00 0.00 C ATOM 537 CG ARG A 65 -9.038 -11.967 -12.497 1.00 0.00 C ATOM 538 CD ARG A 65 -8.785 -13.309 -13.165 1.00 0.00 C ATOM 539 NE ARG A 65 -7.587 -13.250 -14.005 1.00 0.00 N ATOM 540 CZ ARG A 65 -7.520 -13.216 -15.343 1.00 0.00 C ATOM 541 NH1 ARG A 65 -8.627 -13.224 -16.082 1.00 0.00 N ATOM 542 NH2 ARG A 65 -6.330 -13.172 -15.938 1.00 0.00 N ATOM 0 H ARG A 65 -11.491 -11.847 -9.399 1.00 0.00 H new ATOM 0 HA ARG A 65 -8.837 -11.011 -9.957 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.848 -13.075 -10.821 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.046 -12.149 -11.704 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.439 -11.261 -13.225 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -8.098 -11.551 -12.134 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.666 -14.082 -12.406 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -9.647 -13.588 -13.771 1.00 0.00 H new ATOM 0 HE ARG A 65 -6.695 -13.233 -13.511 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.541 -13.256 -15.631 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.561 -13.198 -17.100 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.479 -13.164 -15.376 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.269 -13.146 -16.956 1.00 0.00 H new ATOM 556 N SER A 66 -11.212 -9.051 -11.115 1.00 0.00 N ATOM 557 CA SER A 66 -11.381 -7.699 -11.619 1.00 0.00 C ATOM 558 C SER A 66 -10.568 -6.697 -10.789 1.00 0.00 C ATOM 559 O SER A 66 -9.996 -5.770 -11.370 1.00 0.00 O ATOM 560 CB SER A 66 -12.863 -7.308 -11.673 1.00 0.00 C ATOM 561 OG SER A 66 -13.598 -8.234 -12.465 1.00 0.00 O ATOM 0 H SER A 66 -12.082 -9.523 -10.867 1.00 0.00 H new ATOM 0 HA SER A 66 -10.998 -7.672 -12.639 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.274 -7.279 -10.664 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.965 -6.305 -12.088 1.00 0.00 H new ATOM 0 HG SER A 66 -13.630 -9.101 -12.010 1.00 0.00 H new ATOM 567 N LEU A 67 -10.475 -6.871 -9.458 1.00 0.00 N ATOM 568 CA LEU A 67 -9.632 -5.987 -8.645 1.00 0.00 C ATOM 569 C LEU A 67 -8.138 -6.355 -8.714 1.00 0.00 C ATOM 570 O LEU A 67 -7.319 -5.464 -8.947 1.00 0.00 O ATOM 571 CB LEU A 67 -10.121 -5.936 -7.188 1.00 0.00 C ATOM 572 CG LEU A 67 -9.340 -4.918 -6.324 1.00 0.00 C ATOM 573 CD1 LEU A 67 -9.364 -3.487 -6.884 1.00 0.00 C ATOM 574 CD2 LEU A 67 -9.924 -4.879 -4.911 1.00 0.00 C ATOM 0 H LEU A 67 -10.962 -7.599 -8.936 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.728 -4.990 -9.075 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -11.180 -5.679 -7.175 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.028 -6.927 -6.744 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.305 -5.260 -6.325 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.796 -2.829 -6.226 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.918 -3.478 -7.879 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.395 -3.137 -6.945 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.369 -4.160 -4.308 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.972 -4.581 -4.958 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.848 -5.868 -4.458 1.00 0.00 H new ATOM 586 N THR A 68 -7.754 -7.617 -8.492 1.00 0.00 N ATOM 587 CA THR A 68 -6.343 -7.999 -8.344 1.00 0.00 C ATOM 588 C THR A 68 -5.593 -8.071 -9.673 1.00 0.00 C ATOM 589 O THR A 68 -4.384 -7.812 -9.716 1.00 0.00 O ATOM 590 CB THR A 68 -6.246 -9.396 -7.721 1.00 0.00 C ATOM 591 OG1 THR A 68 -7.122 -10.261 -8.416 1.00 0.00 O ATOM 592 CG2 THR A 68 -6.620 -9.388 -6.245 1.00 0.00 C ATOM 0 H THR A 68 -8.406 -8.397 -8.410 1.00 0.00 H new ATOM 0 HA THR A 68 -5.894 -7.226 -7.720 1.00 0.00 H new ATOM 0 HB THR A 68 -5.213 -9.735 -7.800 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.260 -11.077 -7.892 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.538 -10.398 -5.843 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.946 -8.726 -5.702 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.645 -9.035 -6.131 1.00 0.00 H new ATOM 600 N GLY A 69 -6.296 -8.435 -10.749 1.00 0.00 N ATOM 601 CA GLY A 69 -5.684 -8.780 -12.019 1.00 0.00 C ATOM 602 C GLY A 69 -5.078 -10.193 -11.956 1.00 0.00 C ATOM 603 O GLY A 69 -4.197 -10.505 -12.763 1.00 0.00 O ATOM 0 H GLY A 69 -7.314 -8.497 -10.755 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.428 -8.732 -12.814 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -4.908 -8.055 -12.265 1.00 0.00 H new ATOM 607 N ASP A 70 -5.510 -11.045 -11.010 1.00 0.00 N ATOM 608 CA ASP A 70 -4.986 -12.401 -10.808 1.00 0.00 C ATOM 609 C ASP A 70 -6.124 -13.347 -10.423 1.00 0.00 C ATOM 610 O ASP A 70 -7.204 -12.893 -10.046 1.00 0.00 O ATOM 611 CB ASP A 70 -3.920 -12.414 -9.696 1.00 0.00 C ATOM 612 CG ASP A 70 -3.049 -13.693 -9.710 1.00 0.00 C ATOM 613 OD1 ASP A 70 -3.093 -14.488 -10.686 1.00 0.00 O ATOM 614 OD2 ASP A 70 -2.295 -13.902 -8.728 1.00 0.00 O ATOM 0 H ASP A 70 -6.250 -10.801 -10.351 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.529 -12.732 -11.741 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.276 -11.541 -9.807 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.412 -12.326 -8.727 1.00 0.00 H new ATOM 619 N TRP A 71 -5.911 -14.657 -10.512 1.00 0.00 N ATOM 620 CA TRP A 71 -6.821 -15.654 -9.968 1.00 0.00 C ATOM 621 C TRP A 71 -6.483 -15.864 -8.487 1.00 0.00 C ATOM 622 O TRP A 71 -5.364 -15.579 -8.044 1.00 0.00 O ATOM 623 CB TRP A 71 -6.675 -16.980 -10.729 1.00 0.00 C ATOM 624 CG TRP A 71 -7.074 -16.936 -12.174 1.00 0.00 C ATOM 625 CD1 TRP A 71 -6.254 -17.147 -13.222 1.00 0.00 C ATOM 626 CD2 TRP A 71 -8.386 -16.666 -12.752 1.00 0.00 C ATOM 627 NE1 TRP A 71 -6.960 -17.034 -14.403 1.00 0.00 N ATOM 628 CE2 TRP A 71 -8.286 -16.728 -14.175 1.00 0.00 C ATOM 629 CE3 TRP A 71 -9.647 -16.329 -12.217 1.00 0.00 C ATOM 630 CZ2 TRP A 71 -9.383 -16.488 -15.018 1.00 0.00 C ATOM 631 CZ3 TRP A 71 -10.745 -16.051 -13.050 1.00 0.00 C ATOM 632 CH2 TRP A 71 -10.623 -16.144 -14.448 1.00 0.00 C ATOM 0 H TRP A 71 -5.092 -15.058 -10.969 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.850 -15.309 -10.073 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -5.636 -17.304 -10.665 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.276 -17.737 -10.226 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -5.200 -17.371 -13.149 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -6.552 -17.161 -15.329 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.772 -16.284 -11.145 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -9.277 -16.566 -16.090 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -11.690 -15.764 -12.613 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -11.477 -15.952 -15.081 1.00 0.00 H new ATOM 643 N ILE A 72 -7.447 -16.369 -7.715 1.00 0.00 N ATOM 644 CA ILE A 72 -7.258 -16.723 -6.313 1.00 0.00 C ATOM 645 C ILE A 72 -6.083 -17.714 -6.239 1.00 0.00 C ATOM 646 O ILE A 72 -6.096 -18.708 -6.973 1.00 0.00 O ATOM 647 CB ILE A 72 -8.567 -17.337 -5.759 1.00 0.00 C ATOM 648 CG1 ILE A 72 -9.696 -16.294 -5.604 1.00 0.00 C ATOM 649 CG2 ILE A 72 -8.338 -18.120 -4.453 1.00 0.00 C ATOM 650 CD1 ILE A 72 -9.680 -15.467 -4.318 1.00 0.00 C ATOM 0 H ILE A 72 -8.393 -16.545 -8.054 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.026 -15.849 -5.704 1.00 0.00 H new ATOM 0 HB ILE A 72 -8.902 -18.053 -6.510 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.649 -15.610 -6.452 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -10.653 -16.813 -5.666 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.285 -18.531 -4.104 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.635 -18.933 -4.635 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.932 -17.451 -3.694 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -10.519 -14.771 -4.323 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -9.764 -16.131 -3.458 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.746 -14.909 -4.256 1.00 0.00 H new ATOM 662 N PRO A 73 -5.093 -17.508 -5.355 1.00 0.00 N ATOM 663 CA PRO A 73 -3.937 -18.385 -5.234 1.00 0.00 C ATOM 664 C PRO A 73 -4.253 -19.605 -4.345 1.00 0.00 C ATOM 665 O PRO A 73 -3.442 -19.943 -3.491 1.00 0.00 O ATOM 666 CB PRO A 73 -2.826 -17.474 -4.687 1.00 0.00 C ATOM 667 CG PRO A 73 -3.603 -16.571 -3.746 1.00 0.00 C ATOM 668 CD PRO A 73 -4.913 -16.341 -4.499 1.00 0.00 C ATOM 0 HA PRO A 73 -3.630 -18.834 -6.178 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.053 -18.039 -4.166 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.331 -16.911 -5.479 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.771 -17.044 -2.778 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.076 -15.636 -3.556 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.748 -16.232 -3.806 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.868 -15.426 -5.090 1.00 0.00 H new ATOM 676 N PHE A 74 -5.432 -20.238 -4.458 1.00 0.00 N ATOM 677 CA PHE A 74 -5.856 -21.288 -3.525 1.00 0.00 C ATOM 678 C PHE A 74 -4.854 -22.443 -3.535 1.00 0.00 C ATOM 679 O PHE A 74 -4.170 -22.679 -2.541 1.00 0.00 O ATOM 680 CB PHE A 74 -7.309 -21.750 -3.793 1.00 0.00 C ATOM 681 CG PHE A 74 -7.582 -22.489 -5.091 1.00 0.00 C ATOM 682 CD1 PHE A 74 -7.738 -21.792 -6.305 1.00 0.00 C ATOM 683 CD2 PHE A 74 -7.677 -23.892 -5.080 1.00 0.00 C ATOM 684 CE1 PHE A 74 -8.000 -22.497 -7.493 1.00 0.00 C ATOM 685 CE2 PHE A 74 -7.953 -24.595 -6.265 1.00 0.00 C ATOM 686 CZ PHE A 74 -8.114 -23.898 -7.475 1.00 0.00 C ATOM 0 H PHE A 74 -6.111 -20.037 -5.192 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.863 -20.871 -2.518 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.614 -22.394 -2.969 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.952 -20.870 -3.765 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.656 -20.715 -6.323 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.537 -24.432 -4.155 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.114 -21.960 -8.423 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -8.041 -25.671 -6.246 1.00 0.00 H new ATOM 0 HZ PHE A 74 -8.324 -24.437 -8.387 1.00 0.00 H new ATOM 696 N LYS A 75 -4.697 -23.110 -4.674 1.00 0.00 N ATOM 697 CA LYS A 75 -3.829 -24.274 -4.821 1.00 0.00 C ATOM 698 C LYS A 75 -2.357 -23.866 -4.749 1.00 0.00 C ATOM 699 O LYS A 75 -1.500 -24.653 -4.352 1.00 0.00 O ATOM 700 CB LYS A 75 -4.186 -24.929 -6.161 1.00 0.00 C ATOM 701 CG LYS A 75 -3.655 -26.367 -6.266 1.00 0.00 C ATOM 702 CD LYS A 75 -4.111 -27.035 -7.570 1.00 0.00 C ATOM 703 CE LYS A 75 -3.545 -28.464 -7.642 1.00 0.00 C ATOM 704 NZ LYS A 75 -3.942 -29.172 -8.887 1.00 0.00 N ATOM 0 H LYS A 75 -5.178 -22.853 -5.536 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.980 -24.986 -4.010 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -5.269 -24.934 -6.283 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.776 -24.332 -6.976 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.566 -26.359 -6.220 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.006 -26.950 -5.414 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.200 -27.061 -7.616 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.770 -26.454 -8.427 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.457 -28.424 -7.582 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.891 -29.032 -6.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.536 -30.129 -8.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.979 -29.236 -8.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.590 -28.647 -9.713 1.00 0.00 H new ATOM 718 N GLN A 76 -2.082 -22.616 -5.120 1.00 0.00 N ATOM 719 CA GLN A 76 -0.766 -22.015 -5.192 1.00 0.00 C ATOM 720 C GLN A 76 -0.238 -21.771 -3.763 1.00 0.00 C ATOM 721 O GLN A 76 0.939 -22.019 -3.500 1.00 0.00 O ATOM 722 CB GLN A 76 -0.860 -20.716 -6.029 1.00 0.00 C ATOM 723 CG GLN A 76 -1.442 -20.866 -7.466 1.00 0.00 C ATOM 724 CD GLN A 76 -2.972 -20.713 -7.582 1.00 0.00 C ATOM 725 OE1 GLN A 76 -3.738 -21.283 -6.818 1.00 0.00 O ATOM 726 NE2 GLN A 76 -3.490 -19.938 -8.523 1.00 0.00 N ATOM 0 H GLN A 76 -2.819 -21.965 -5.392 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.054 -22.676 -5.686 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.475 -20.000 -5.483 1.00 0.00 H new ATOM 0 HB3 GLN A 76 0.138 -20.285 -6.107 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -0.970 -20.123 -8.110 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -1.162 -21.846 -7.852 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -2.877 -19.449 -9.176 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -4.502 -19.830 -8.595 1.00 0.00 H new ATOM 735 N LEU A 77 -1.104 -21.343 -2.830 1.00 0.00 N ATOM 736 CA LEU A 77 -0.803 -21.242 -1.397 1.00 0.00 C ATOM 737 C LEU A 77 -0.913 -22.613 -0.719 1.00 0.00 C ATOM 738 O LEU A 77 -0.233 -22.835 0.284 1.00 0.00 O ATOM 739 CB LEU A 77 -1.722 -20.220 -0.712 1.00 0.00 C ATOM 740 CG LEU A 77 -1.469 -18.747 -1.104 1.00 0.00 C ATOM 741 CD1 LEU A 77 -2.534 -17.831 -0.482 1.00 0.00 C ATOM 742 CD2 LEU A 77 -0.088 -18.231 -0.675 1.00 0.00 C ATOM 0 H LEU A 77 -2.054 -21.051 -3.059 1.00 0.00 H new ATOM 0 HA LEU A 77 0.224 -20.893 -1.294 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.757 -20.470 -0.947 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.608 -20.318 0.368 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.518 -18.723 -2.193 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.338 -16.798 -0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.521 -18.126 -0.838 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.499 -17.918 0.604 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.023 -17.191 -0.981 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.006 -18.302 0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.688 -18.833 -1.147 1.00 0.00 H new ATOM 754 N GLY A 78 -1.707 -23.539 -1.271 1.00 0.00 N ATOM 755 CA GLY A 78 -1.757 -24.939 -0.849 1.00 0.00 C ATOM 756 C GLY A 78 -3.113 -25.366 -0.282 1.00 0.00 C ATOM 757 O GLY A 78 -3.222 -26.460 0.280 1.00 0.00 O ATOM 0 H GLY A 78 -2.345 -23.329 -2.039 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.514 -25.574 -1.701 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.989 -25.109 -0.095 1.00 0.00 H new ATOM 761 N TYR A 79 -4.150 -24.536 -0.420 1.00 0.00 N ATOM 762 CA TYR A 79 -5.520 -24.877 -0.066 1.00 0.00 C ATOM 763 C TYR A 79 -6.094 -25.725 -1.204 1.00 0.00 C ATOM 764 O TYR A 79 -5.851 -25.396 -2.368 1.00 0.00 O ATOM 765 CB TYR A 79 -6.343 -23.594 0.086 1.00 0.00 C ATOM 766 CG TYR A 79 -5.704 -22.632 1.059 1.00 0.00 C ATOM 767 CD1 TYR A 79 -5.838 -22.851 2.439 1.00 0.00 C ATOM 768 CD2 TYR A 79 -4.964 -21.533 0.589 1.00 0.00 C ATOM 769 CE1 TYR A 79 -5.208 -21.990 3.348 1.00 0.00 C ATOM 770 CE2 TYR A 79 -4.337 -20.661 1.495 1.00 0.00 C ATOM 771 CZ TYR A 79 -4.448 -20.889 2.884 1.00 0.00 C ATOM 772 OH TYR A 79 -3.822 -20.043 3.756 1.00 0.00 O ATOM 0 H TYR A 79 -4.053 -23.590 -0.789 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.551 -25.426 0.875 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.448 -23.112 -0.886 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.347 -23.844 0.428 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -6.426 -23.682 2.800 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -4.877 -21.358 -0.473 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.303 -22.167 4.409 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -3.771 -19.817 1.129 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.348 -19.348 3.254 1.00 0.00 H new ATOM 782 N PRO A 80 -6.872 -26.782 -0.928 1.00 0.00 N ATOM 783 CA PRO A 80 -7.315 -27.684 -1.981 1.00 0.00 C ATOM 784 C PRO A 80 -8.340 -27.048 -2.924 1.00 0.00 C ATOM 785 O PRO A 80 -8.412 -27.448 -4.090 1.00 0.00 O ATOM 786 CB PRO A 80 -7.891 -28.908 -1.258 1.00 0.00 C ATOM 787 CG PRO A 80 -8.337 -28.339 0.088 1.00 0.00 C ATOM 788 CD PRO A 80 -7.245 -27.305 0.377 1.00 0.00 C ATOM 0 HA PRO A 80 -6.482 -27.951 -2.632 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.725 -29.345 -1.807 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.144 -29.692 -1.136 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -9.325 -27.883 0.030 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.385 -29.107 0.860 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.613 -26.513 1.030 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -6.392 -27.761 0.879 1.00 0.00 H new ATOM 796 N THR A 81 -9.137 -26.082 -2.450 1.00 0.00 N ATOM 797 CA THR A 81 -10.283 -25.555 -3.178 1.00 0.00 C ATOM 798 C THR A 81 -10.424 -24.055 -2.910 1.00 0.00 C ATOM 799 O THR A 81 -9.839 -23.522 -1.959 1.00 0.00 O ATOM 800 CB THR A 81 -11.539 -26.337 -2.723 1.00 0.00 C ATOM 801 OG1 THR A 81 -11.582 -26.286 -1.308 1.00 0.00 O ATOM 802 CG2 THR A 81 -11.530 -27.805 -3.152 1.00 0.00 C ATOM 0 H THR A 81 -8.997 -25.644 -1.540 1.00 0.00 H new ATOM 0 HA THR A 81 -10.154 -25.681 -4.253 1.00 0.00 H new ATOM 0 HB THR A 81 -12.408 -25.875 -3.192 1.00 0.00 H new ATOM 0 HG1 THR A 81 -12.272 -26.900 -0.979 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.439 -28.293 -2.800 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.483 -27.866 -4.239 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.661 -28.304 -2.723 1.00 0.00 H new ATOM 810 N LEU A 82 -11.252 -23.377 -3.718 1.00 0.00 N ATOM 811 CA LEU A 82 -11.630 -21.985 -3.479 1.00 0.00 C ATOM 812 C LEU A 82 -12.313 -21.868 -2.132 1.00 0.00 C ATOM 813 O LEU A 82 -12.025 -20.936 -1.389 1.00 0.00 O ATOM 814 CB LEU A 82 -12.588 -21.459 -4.573 1.00 0.00 C ATOM 815 CG LEU A 82 -11.983 -21.130 -5.955 1.00 0.00 C ATOM 816 CD1 LEU A 82 -10.837 -20.128 -5.826 1.00 0.00 C ATOM 817 CD2 LEU A 82 -11.501 -22.368 -6.725 1.00 0.00 C ATOM 0 H LEU A 82 -11.676 -23.781 -4.553 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.720 -21.386 -3.500 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -13.373 -22.202 -4.718 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -13.069 -20.557 -4.193 1.00 0.00 H new ATOM 0 HG LEU A 82 -12.796 -20.691 -6.533 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.428 -19.913 -6.813 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.208 -19.206 -5.379 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.055 -20.549 -5.194 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.088 -22.061 -7.686 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.732 -22.880 -6.147 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -12.340 -23.044 -6.890 1.00 0.00 H new ATOM 829 N GLU A 83 -13.199 -22.815 -1.798 1.00 0.00 N ATOM 830 CA GLU A 83 -13.865 -22.778 -0.506 1.00 0.00 C ATOM 831 C GLU A 83 -12.819 -22.883 0.592 1.00 0.00 C ATOM 832 O GLU A 83 -12.851 -22.063 1.495 1.00 0.00 O ATOM 833 CB GLU A 83 -15.002 -23.811 -0.393 1.00 0.00 C ATOM 834 CG GLU A 83 -14.561 -25.279 -0.336 1.00 0.00 C ATOM 835 CD GLU A 83 -15.760 -26.229 -0.158 1.00 0.00 C ATOM 836 OE1 GLU A 83 -16.361 -26.662 -1.171 1.00 0.00 O ATOM 837 OE2 GLU A 83 -16.096 -26.542 1.013 1.00 0.00 O ATOM 0 H GLU A 83 -13.462 -23.598 -2.396 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.375 -21.822 -0.390 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -15.582 -23.590 0.503 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.670 -23.684 -1.245 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.028 -25.534 -1.252 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.862 -25.417 0.489 1.00 0.00 H new ATOM 844 N ALA A 84 -11.853 -23.807 0.515 1.00 0.00 N ATOM 845 CA ALA A 84 -10.872 -23.998 1.586 1.00 0.00 C ATOM 846 C ALA A 84 -10.013 -22.747 1.794 1.00 0.00 C ATOM 847 O ALA A 84 -9.763 -22.352 2.935 1.00 0.00 O ATOM 848 CB ALA A 84 -10.000 -25.213 1.284 1.00 0.00 C ATOM 0 H ALA A 84 -11.731 -24.434 -0.280 1.00 0.00 H new ATOM 0 HA ALA A 84 -11.414 -24.175 2.515 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.273 -25.348 2.085 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.627 -26.101 1.210 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.476 -25.059 0.341 1.00 0.00 H new ATOM 854 N TYR A 85 -9.606 -22.087 0.708 1.00 0.00 N ATOM 855 CA TYR A 85 -8.954 -20.785 0.788 1.00 0.00 C ATOM 856 C TYR A 85 -9.835 -19.790 1.557 1.00 0.00 C ATOM 857 O TYR A 85 -9.370 -19.173 2.515 1.00 0.00 O ATOM 858 CB TYR A 85 -8.617 -20.288 -0.625 1.00 0.00 C ATOM 859 CG TYR A 85 -8.188 -18.837 -0.648 1.00 0.00 C ATOM 860 CD1 TYR A 85 -6.893 -18.486 -0.230 1.00 0.00 C ATOM 861 CD2 TYR A 85 -9.088 -17.846 -1.074 1.00 0.00 C ATOM 862 CE1 TYR A 85 -6.495 -17.141 -0.201 1.00 0.00 C ATOM 863 CE2 TYR A 85 -8.696 -16.495 -1.044 1.00 0.00 C ATOM 864 CZ TYR A 85 -7.403 -16.135 -0.602 1.00 0.00 C ATOM 865 OH TYR A 85 -7.039 -14.824 -0.563 1.00 0.00 O ATOM 0 H TYR A 85 -9.719 -22.439 -0.243 1.00 0.00 H new ATOM 0 HA TYR A 85 -8.019 -20.877 1.341 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.821 -20.904 -1.042 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.488 -20.415 -1.268 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -6.199 -19.257 0.071 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -10.073 -18.119 -1.422 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -5.500 -16.876 0.126 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -9.388 -15.728 -1.361 1.00 0.00 H new ATOM 0 HH TYR A 85 -7.516 -14.331 -1.263 1.00 0.00 H new ATOM 875 N LEU A 86 -11.122 -19.676 1.196 1.00 0.00 N ATOM 876 CA LEU A 86 -12.053 -18.758 1.852 1.00 0.00 C ATOM 877 C LEU A 86 -12.334 -19.139 3.320 1.00 0.00 C ATOM 878 O LEU A 86 -12.445 -18.241 4.153 1.00 0.00 O ATOM 879 CB LEU A 86 -13.350 -18.688 1.026 1.00 0.00 C ATOM 880 CG LEU A 86 -13.179 -18.061 -0.369 1.00 0.00 C ATOM 881 CD1 LEU A 86 -14.336 -18.510 -1.267 1.00 0.00 C ATOM 882 CD2 LEU A 86 -13.139 -16.532 -0.287 1.00 0.00 C ATOM 0 H LEU A 86 -11.542 -20.219 0.441 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.591 -17.772 1.892 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -13.749 -19.696 0.912 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -14.090 -18.113 1.582 1.00 0.00 H new ATOM 0 HG LEU A 86 -12.231 -18.397 -0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -14.220 -18.069 -2.257 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -14.331 -19.597 -1.351 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -15.281 -18.184 -0.833 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -13.017 -16.117 -1.288 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -14.070 -16.166 0.147 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -12.301 -16.223 0.338 1.00 0.00 H new ATOM 894 N ARG A 87 -12.389 -20.434 3.673 1.00 0.00 N ATOM 895 CA ARG A 87 -12.440 -20.898 5.081 1.00 0.00 C ATOM 896 C ARG A 87 -11.234 -20.363 5.859 1.00 0.00 C ATOM 897 O ARG A 87 -11.368 -20.041 7.036 1.00 0.00 O ATOM 898 CB ARG A 87 -12.412 -22.444 5.231 1.00 0.00 C ATOM 899 CG ARG A 87 -13.731 -23.236 5.143 1.00 0.00 C ATOM 900 CD ARG A 87 -14.226 -23.419 3.705 1.00 0.00 C ATOM 901 NE ARG A 87 -15.135 -24.559 3.466 1.00 0.00 N ATOM 902 CZ ARG A 87 -16.308 -24.872 4.040 1.00 0.00 C ATOM 903 NH1 ARG A 87 -16.774 -24.224 5.104 1.00 0.00 N ATOM 904 NH2 ARG A 87 -17.019 -25.863 3.521 1.00 0.00 N ATOM 0 H ARG A 87 -12.400 -21.195 2.993 1.00 0.00 H new ATOM 0 HA ARG A 87 -13.387 -20.523 5.470 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -11.744 -22.835 4.464 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -11.958 -22.671 6.195 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -13.591 -24.215 5.600 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -14.497 -22.720 5.722 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -14.736 -22.505 3.400 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -13.358 -23.532 3.056 1.00 0.00 H new ATOM 0 HE ARG A 87 -14.821 -25.214 2.750 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -16.235 -23.460 5.512 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -17.670 -24.491 5.512 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -16.672 -26.367 2.705 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -17.914 -26.121 3.937 1.00 0.00 H new ATOM 918 N SER A 88 -10.066 -20.302 5.221 1.00 0.00 N ATOM 919 CA SER A 88 -8.777 -20.028 5.851 1.00 0.00 C ATOM 920 C SER A 88 -8.480 -18.529 6.070 1.00 0.00 C ATOM 921 O SER A 88 -7.346 -18.186 6.416 1.00 0.00 O ATOM 922 CB SER A 88 -7.683 -20.739 5.054 1.00 0.00 C ATOM 923 OG SER A 88 -7.965 -22.129 4.967 1.00 0.00 O ATOM 0 H SER A 88 -9.990 -20.447 4.214 1.00 0.00 H new ATOM 0 HA SER A 88 -8.809 -20.426 6.865 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.615 -20.311 4.054 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.716 -20.586 5.533 1.00 0.00 H new ATOM 0 HG SER A 88 -8.512 -22.303 4.172 1.00 0.00 H new ATOM 929 N VAL A 89 -9.464 -17.633 5.909 1.00 0.00 N ATOM 930 CA VAL A 89 -9.331 -16.193 6.179 1.00 0.00 C ATOM 931 C VAL A 89 -10.453 -15.707 7.135 1.00 0.00 C ATOM 932 O VAL A 89 -11.045 -14.649 6.912 1.00 0.00 O ATOM 933 CB VAL A 89 -9.160 -15.469 4.809 1.00 0.00 C ATOM 934 CG1 VAL A 89 -10.269 -15.817 3.799 1.00 0.00 C ATOM 935 CG2 VAL A 89 -8.977 -13.945 4.900 1.00 0.00 C ATOM 0 H VAL A 89 -10.394 -17.894 5.581 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.436 -15.937 6.747 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.217 -15.868 4.435 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.093 -15.281 2.866 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -10.263 -16.890 3.608 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -11.237 -15.526 4.207 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -8.866 -13.531 3.898 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -9.849 -13.502 5.381 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.086 -13.720 5.486 1.00 0.00 H new ATOM 945 N PRO A 90 -10.784 -16.429 8.231 1.00 0.00 N ATOM 946 CA PRO A 90 -11.973 -16.134 9.030 1.00 0.00 C ATOM 947 C PRO A 90 -11.868 -14.815 9.818 1.00 0.00 C ATOM 948 O PRO A 90 -12.885 -14.286 10.270 1.00 0.00 O ATOM 949 CB PRO A 90 -12.142 -17.336 9.960 1.00 0.00 C ATOM 950 CG PRO A 90 -10.709 -17.801 10.198 1.00 0.00 C ATOM 951 CD PRO A 90 -10.019 -17.502 8.869 1.00 0.00 C ATOM 0 HA PRO A 90 -12.839 -15.986 8.385 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -12.634 -17.057 10.892 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -12.747 -18.118 9.501 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.243 -17.263 11.023 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -10.666 -18.862 10.444 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -8.985 -17.197 9.030 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -9.995 -18.390 8.237 1.00 0.00 H new ATOM 959 N ALA A 91 -10.655 -14.272 9.997 1.00 0.00 N ATOM 960 CA ALA A 91 -10.436 -13.029 10.730 1.00 0.00 C ATOM 961 C ALA A 91 -10.713 -11.790 9.868 1.00 0.00 C ATOM 962 O ALA A 91 -10.709 -10.679 10.399 1.00 0.00 O ATOM 963 CB ALA A 91 -8.994 -13.001 11.262 1.00 0.00 C ATOM 0 H ALA A 91 -9.798 -14.689 9.633 1.00 0.00 H new ATOM 0 HA ALA A 91 -11.140 -12.999 11.562 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.826 -12.074 11.810 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -8.835 -13.850 11.927 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.297 -13.059 10.426 1.00 0.00 H new ATOM 969 N VAL A 92 -10.936 -11.951 8.557 1.00 0.00 N ATOM 970 CA VAL A 92 -11.068 -10.836 7.616 1.00 0.00 C ATOM 971 C VAL A 92 -12.258 -11.064 6.671 1.00 0.00 C ATOM 972 O VAL A 92 -12.824 -10.105 6.145 1.00 0.00 O ATOM 973 CB VAL A 92 -9.734 -10.639 6.856 1.00 0.00 C ATOM 974 CG1 VAL A 92 -9.727 -9.331 6.061 1.00 0.00 C ATOM 975 CG2 VAL A 92 -8.486 -10.633 7.763 1.00 0.00 C ATOM 0 H VAL A 92 -11.030 -12.867 8.118 1.00 0.00 H new ATOM 0 HA VAL A 92 -11.277 -9.916 8.161 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.677 -11.503 6.194 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.775 -9.227 5.541 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -10.539 -9.343 5.334 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -9.862 -8.491 6.742 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -7.594 -10.490 7.153 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.565 -9.821 8.486 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.416 -11.584 8.292 1.00 0.00 H new ATOM 985 N VAL A 93 -12.688 -12.310 6.480 1.00 0.00 N ATOM 986 CA VAL A 93 -13.683 -12.738 5.502 1.00 0.00 C ATOM 987 C VAL A 93 -14.606 -13.744 6.207 1.00 0.00 C ATOM 988 O VAL A 93 -14.292 -14.262 7.280 1.00 0.00 O ATOM 989 CB VAL A 93 -12.912 -13.294 4.277 1.00 0.00 C ATOM 990 CG1 VAL A 93 -13.711 -14.144 3.273 1.00 0.00 C ATOM 991 CG2 VAL A 93 -12.220 -12.143 3.526 1.00 0.00 C ATOM 0 H VAL A 93 -12.332 -13.089 7.034 1.00 0.00 H new ATOM 0 HA VAL A 93 -14.324 -11.940 5.126 1.00 0.00 H new ATOM 0 HB VAL A 93 -12.199 -13.991 4.718 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -13.053 -14.469 2.467 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.121 -15.017 3.781 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -14.525 -13.549 2.860 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.680 -12.542 2.667 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -12.969 -11.429 3.185 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -11.519 -11.642 4.194 1.00 0.00 H new ATOM 1001 N ARG A 94 -15.772 -13.992 5.618 1.00 0.00 N ATOM 1002 CA ARG A 94 -16.858 -14.799 6.178 1.00 0.00 C ATOM 1003 C ARG A 94 -17.487 -15.544 5.014 1.00 0.00 C ATOM 1004 O ARG A 94 -17.401 -15.075 3.884 1.00 0.00 O ATOM 1005 CB ARG A 94 -17.832 -13.838 6.889 1.00 0.00 C ATOM 1006 CG ARG A 94 -19.050 -14.521 7.543 1.00 0.00 C ATOM 1007 CD ARG A 94 -20.005 -13.494 8.160 1.00 0.00 C ATOM 1008 NE ARG A 94 -20.898 -12.878 7.157 1.00 0.00 N ATOM 1009 CZ ARG A 94 -22.132 -13.304 6.850 1.00 0.00 C ATOM 1010 NH1 ARG A 94 -22.624 -14.414 7.387 1.00 0.00 N ATOM 1011 NH2 ARG A 94 -22.893 -12.625 6.001 1.00 0.00 N ATOM 0 H ARG A 94 -15.999 -13.620 4.696 1.00 0.00 H new ATOM 0 HA ARG A 94 -16.532 -15.532 6.916 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -17.285 -13.290 7.656 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -18.189 -13.104 6.166 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -19.582 -15.111 6.797 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -18.710 -15.213 8.314 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -20.607 -13.978 8.929 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -19.425 -12.714 8.653 1.00 0.00 H new ATOM 0 HE ARG A 94 -20.547 -12.061 6.657 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -22.062 -14.956 8.043 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -23.564 -14.725 7.143 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -22.541 -11.768 5.574 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -23.830 -12.960 5.776 1.00 0.00 H new ATOM 1025 N ILE A 95 -18.121 -16.684 5.258 1.00 0.00 N ATOM 1026 CA ILE A 95 -18.786 -17.466 4.220 1.00 0.00 C ATOM 1027 C ILE A 95 -20.061 -18.090 4.796 1.00 0.00 C ATOM 1028 O ILE A 95 -20.149 -18.338 6.001 1.00 0.00 O ATOM 1029 CB ILE A 95 -17.827 -18.535 3.632 1.00 0.00 C ATOM 1030 CG1 ILE A 95 -17.334 -19.542 4.691 1.00 0.00 C ATOM 1031 CG2 ILE A 95 -16.627 -17.891 2.915 1.00 0.00 C ATOM 1032 CD1 ILE A 95 -16.408 -20.624 4.128 1.00 0.00 C ATOM 0 H ILE A 95 -18.189 -17.096 6.188 1.00 0.00 H new ATOM 0 HA ILE A 95 -19.067 -16.812 3.394 1.00 0.00 H new ATOM 0 HB ILE A 95 -18.414 -19.089 2.900 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -16.809 -19.000 5.478 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -18.197 -20.020 5.154 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -15.979 -18.672 2.517 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -16.985 -17.265 2.098 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -16.066 -17.279 3.622 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -16.102 -21.295 4.931 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -16.936 -21.192 3.362 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -15.526 -20.156 3.690 1.00 0.00 H new ATOM 1044 N GLU A 96 -21.030 -18.370 3.924 1.00 0.00 N ATOM 1045 CA GLU A 96 -22.222 -19.149 4.223 1.00 0.00 C ATOM 1046 C GLU A 96 -22.281 -20.259 3.173 1.00 0.00 C ATOM 1047 O GLU A 96 -22.651 -20.009 2.025 1.00 0.00 O ATOM 1048 CB GLU A 96 -23.483 -18.263 4.191 1.00 0.00 C ATOM 1049 CG GLU A 96 -23.517 -17.227 5.328 1.00 0.00 C ATOM 1050 CD GLU A 96 -24.812 -16.382 5.376 1.00 0.00 C ATOM 1051 OE1 GLU A 96 -25.756 -16.593 4.574 1.00 0.00 O ATOM 1052 OE2 GLU A 96 -24.883 -15.477 6.244 1.00 0.00 O ATOM 0 H GLU A 96 -21.001 -18.047 2.957 1.00 0.00 H new ATOM 0 HA GLU A 96 -22.181 -19.572 5.227 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -23.533 -17.745 3.233 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -24.368 -18.896 4.257 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -23.399 -17.745 6.280 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -22.663 -16.558 5.221 1.00 0.00 H new ATOM 1059 N ALA A 97 -21.842 -21.468 3.536 1.00 0.00 N ATOM 1060 CA ALA A 97 -22.039 -22.661 2.724 1.00 0.00 C ATOM 1061 C ALA A 97 -23.481 -23.130 2.950 1.00 0.00 C ATOM 1062 O ALA A 97 -23.847 -23.493 4.073 1.00 0.00 O ATOM 1063 CB ALA A 97 -21.009 -23.736 3.092 1.00 0.00 C ATOM 0 H ALA A 97 -21.339 -21.642 4.406 1.00 0.00 H new ATOM 0 HA ALA A 97 -21.889 -22.451 1.665 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -21.170 -24.621 2.476 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -20.004 -23.351 2.919 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -21.120 -24.001 4.143 1.00 0.00 H new ATOM 1069 N SER A 98 -24.296 -23.076 1.897 1.00 0.00 N ATOM 1070 CA SER A 98 -25.665 -23.552 1.910 1.00 0.00 C ATOM 1071 C SER A 98 -25.660 -25.082 1.968 1.00 0.00 C ATOM 1072 O SER A 98 -24.761 -25.749 1.445 1.00 0.00 O ATOM 1073 CB SER A 98 -26.386 -23.036 0.656 1.00 0.00 C ATOM 1074 OG SER A 98 -27.737 -23.476 0.632 1.00 0.00 O ATOM 0 H SER A 98 -24.010 -22.691 0.997 1.00 0.00 H new ATOM 0 HA SER A 98 -26.197 -23.180 2.786 1.00 0.00 H new ATOM 0 HB2 SER A 98 -26.353 -21.947 0.635 1.00 0.00 H new ATOM 0 HB3 SER A 98 -25.869 -23.388 -0.237 1.00 0.00 H new ATOM 0 HG SER A 98 -28.178 -23.135 -0.174 1.00 0.00 H new ATOM 1080 N ARG A 99 -26.733 -25.644 2.528 1.00 0.00 N ATOM 1081 CA ARG A 99 -27.000 -27.086 2.519 1.00 0.00 C ATOM 1082 C ARG A 99 -27.162 -27.634 1.099 1.00 0.00 C ATOM 1083 O ARG A 99 -26.995 -28.834 0.888 1.00 0.00 O ATOM 1084 CB ARG A 99 -28.197 -27.412 3.434 1.00 0.00 C ATOM 1085 CG ARG A 99 -29.594 -26.936 2.978 1.00 0.00 C ATOM 1086 CD ARG A 99 -30.387 -27.973 2.160 1.00 0.00 C ATOM 1087 NE ARG A 99 -30.476 -27.655 0.718 1.00 0.00 N ATOM 1088 CZ ARG A 99 -31.073 -28.421 -0.207 1.00 0.00 C ATOM 1089 NH1 ARG A 99 -31.649 -29.575 0.122 1.00 0.00 N ATOM 1090 NH2 ARG A 99 -31.086 -28.019 -1.471 1.00 0.00 N ATOM 0 H ARG A 99 -27.452 -25.103 3.008 1.00 0.00 H new ATOM 0 HA ARG A 99 -26.130 -27.600 2.927 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -28.236 -28.494 3.564 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -27.998 -26.980 4.415 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -30.176 -26.664 3.858 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -29.479 -26.032 2.380 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -29.919 -28.950 2.279 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -31.395 -28.050 2.568 1.00 0.00 H new ATOM 0 HE ARG A 99 -30.049 -26.784 0.402 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -31.641 -29.891 1.092 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -32.098 -30.144 -0.596 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -30.645 -27.136 -1.730 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -31.537 -28.593 -2.184 1.00 0.00 H new ATOM 1104 N SER A 100 -27.452 -26.766 0.123 1.00 0.00 N ATOM 1105 CA SER A 100 -27.505 -27.110 -1.297 1.00 0.00 C ATOM 1106 C SER A 100 -26.119 -27.415 -1.894 1.00 0.00 C ATOM 1107 O SER A 100 -26.038 -27.863 -3.040 1.00 0.00 O ATOM 1108 CB SER A 100 -28.188 -25.961 -2.045 1.00 0.00 C ATOM 1109 OG SER A 100 -29.430 -25.669 -1.412 1.00 0.00 O ATOM 0 H SER A 100 -27.660 -25.784 0.305 1.00 0.00 H new ATOM 0 HA SER A 100 -28.078 -28.030 -1.408 1.00 0.00 H new ATOM 0 HB2 SER A 100 -27.548 -25.078 -2.044 1.00 0.00 H new ATOM 0 HB3 SER A 100 -28.352 -26.235 -3.087 1.00 0.00 H new ATOM 0 HG SER A 100 -29.873 -24.933 -1.884 1.00 0.00 H new ATOM 1115 N GLY A 101 -25.022 -27.184 -1.155 1.00 0.00 N ATOM 1116 CA GLY A 101 -23.668 -27.441 -1.633 1.00 0.00 C ATOM 1117 C GLY A 101 -23.158 -26.310 -2.530 1.00 0.00 C ATOM 1118 O GLY A 101 -22.424 -26.559 -3.487 1.00 0.00 O ATOM 0 H GLY A 101 -25.057 -26.812 -0.206 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -22.998 -27.560 -0.781 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -23.650 -28.380 -2.186 1.00 0.00 H new ATOM 1122 N GLU A 102 -23.557 -25.072 -2.232 1.00 0.00 N ATOM 1123 CA GLU A 102 -23.024 -23.848 -2.815 1.00 0.00 C ATOM 1124 C GLU A 102 -22.541 -23.009 -1.629 1.00 0.00 C ATOM 1125 O GLU A 102 -22.934 -23.265 -0.494 1.00 0.00 O ATOM 1126 CB GLU A 102 -24.115 -23.123 -3.630 1.00 0.00 C ATOM 1127 CG GLU A 102 -24.560 -23.919 -4.863 1.00 0.00 C ATOM 1128 CD GLU A 102 -25.578 -23.123 -5.699 1.00 0.00 C ATOM 1129 OE1 GLU A 102 -26.801 -23.208 -5.426 1.00 0.00 O ATOM 1130 OE2 GLU A 102 -25.163 -22.403 -6.640 1.00 0.00 O ATOM 0 H GLU A 102 -24.292 -24.892 -1.548 1.00 0.00 H new ATOM 0 HA GLU A 102 -22.208 -24.039 -3.512 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -24.978 -22.939 -2.991 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -23.740 -22.150 -3.947 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -23.692 -24.161 -5.476 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -25.003 -24.864 -4.549 1.00 0.00 H new ATOM 1137 N ILE A 103 -21.713 -21.994 -1.857 1.00 0.00 N ATOM 1138 CA ILE A 103 -21.200 -21.122 -0.807 1.00 0.00 C ATOM 1139 C ILE A 103 -21.243 -19.690 -1.309 1.00 0.00 C ATOM 1140 O ILE A 103 -20.920 -19.436 -2.470 1.00 0.00 O ATOM 1141 CB ILE A 103 -19.812 -21.605 -0.310 1.00 0.00 C ATOM 1142 CG1 ILE A 103 -19.117 -20.626 0.662 1.00 0.00 C ATOM 1143 CG2 ILE A 103 -18.857 -22.032 -1.428 1.00 0.00 C ATOM 1144 CD1 ILE A 103 -18.253 -19.533 0.003 1.00 0.00 C ATOM 0 H ILE A 103 -21.375 -21.751 -2.788 1.00 0.00 H new ATOM 0 HA ILE A 103 -21.827 -21.163 0.083 1.00 0.00 H new ATOM 0 HB ILE A 103 -20.053 -22.503 0.258 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -19.881 -20.142 1.270 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -18.487 -21.202 1.340 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -17.911 -22.355 -0.994 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -19.299 -22.855 -1.989 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -18.681 -21.190 -2.097 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -17.813 -18.902 0.775 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -17.459 -19.999 -0.581 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -18.875 -18.923 -0.652 1.00 0.00 H new ATOM 1156 N VAL A 104 -21.587 -18.773 -0.412 1.00 0.00 N ATOM 1157 CA VAL A 104 -21.666 -17.341 -0.652 1.00 0.00 C ATOM 1158 C VAL A 104 -20.626 -16.705 0.277 1.00 0.00 C ATOM 1159 O VAL A 104 -20.589 -17.021 1.464 1.00 0.00 O ATOM 1160 CB VAL A 104 -23.109 -16.843 -0.384 1.00 0.00 C ATOM 1161 CG1 VAL A 104 -23.290 -15.438 -0.981 1.00 0.00 C ATOM 1162 CG2 VAL A 104 -24.193 -17.781 -0.954 1.00 0.00 C ATOM 0 H VAL A 104 -21.829 -19.022 0.547 1.00 0.00 H new ATOM 0 HA VAL A 104 -21.449 -17.069 -1.685 1.00 0.00 H new ATOM 0 HB VAL A 104 -23.238 -16.825 0.698 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -24.305 -15.090 -0.791 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -22.579 -14.752 -0.520 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -23.114 -15.474 -2.056 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -25.180 -17.374 -0.732 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -24.070 -17.865 -2.034 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -24.096 -18.767 -0.500 1.00 0.00 H new ATOM 1172 N CYS A 105 -19.748 -15.864 -0.267 1.00 0.00 N ATOM 1173 CA CYS A 105 -18.648 -15.242 0.468 1.00 0.00 C ATOM 1174 C CYS A 105 -19.064 -13.846 0.929 1.00 0.00 C ATOM 1175 O CYS A 105 -19.816 -13.192 0.212 1.00 0.00 O ATOM 1176 CB CYS A 105 -17.417 -15.126 -0.450 1.00 0.00 C ATOM 1177 SG CYS A 105 -17.178 -16.606 -1.480 1.00 0.00 S ATOM 0 H CYS A 105 -19.782 -15.591 -1.249 1.00 0.00 H new ATOM 0 HA CYS A 105 -18.403 -15.855 1.335 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -17.528 -14.253 -1.093 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -16.528 -14.963 0.158 1.00 0.00 H new ATOM 0 HG CYS A 105 -18.065 -16.622 -2.430 1.00 0.00 H new ATOM 1183 N TYR A 106 -18.500 -13.365 2.038 1.00 0.00 N ATOM 1184 CA TYR A 106 -18.765 -12.061 2.649 1.00 0.00 C ATOM 1185 C TYR A 106 -17.494 -11.513 3.295 1.00 0.00 C ATOM 1186 O TYR A 106 -16.522 -12.243 3.472 1.00 0.00 O ATOM 1187 CB TYR A 106 -19.822 -12.235 3.741 1.00 0.00 C ATOM 1188 CG TYR A 106 -21.184 -12.623 3.227 1.00 0.00 C ATOM 1189 CD1 TYR A 106 -21.992 -11.648 2.612 1.00 0.00 C ATOM 1190 CD2 TYR A 106 -21.636 -13.947 3.368 1.00 0.00 C ATOM 1191 CE1 TYR A 106 -23.289 -11.983 2.190 1.00 0.00 C ATOM 1192 CE2 TYR A 106 -22.912 -14.304 2.892 1.00 0.00 C ATOM 1193 CZ TYR A 106 -23.756 -13.316 2.322 1.00 0.00 C ATOM 1194 OH TYR A 106 -25.015 -13.630 1.900 1.00 0.00 O ATOM 0 H TYR A 106 -17.810 -13.903 2.562 1.00 0.00 H new ATOM 0 HA TYR A 106 -19.110 -11.370 1.879 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -19.481 -12.996 4.443 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -19.909 -11.303 4.299 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -21.616 -10.646 2.465 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -21.007 -14.687 3.840 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -23.931 -11.226 1.765 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -23.248 -15.328 2.961 1.00 0.00 H new ATOM 0 HH TYR A 106 -25.185 -14.582 2.058 1.00 0.00 H new ATOM 1204 N ALA A 107 -17.488 -10.235 3.672 1.00 0.00 N ATOM 1205 CA ALA A 107 -16.366 -9.632 4.394 1.00 0.00 C ATOM 1206 C ALA A 107 -16.568 -9.768 5.907 1.00 0.00 C ATOM 1207 O ALA A 107 -17.660 -10.101 6.367 1.00 0.00 O ATOM 1208 CB ALA A 107 -16.253 -8.147 4.026 1.00 0.00 C ATOM 0 H ALA A 107 -18.256 -9.590 3.487 1.00 0.00 H new ATOM 0 HA ALA A 107 -15.450 -10.151 4.112 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -15.417 -7.701 4.565 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -16.086 -8.050 2.953 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -17.175 -7.634 4.298 1.00 0.00 H new ATOM 1214 N VAL A 108 -15.522 -9.447 6.669 1.00 0.00 N ATOM 1215 CA VAL A 108 -15.588 -9.309 8.131 1.00 0.00 C ATOM 1216 C VAL A 108 -14.696 -8.169 8.661 1.00 0.00 C ATOM 1217 O VAL A 108 -15.054 -7.569 9.678 1.00 0.00 O ATOM 1218 CB VAL A 108 -15.317 -10.685 8.799 1.00 0.00 C ATOM 1219 CG1 VAL A 108 -14.197 -10.724 9.847 1.00 0.00 C ATOM 1220 CG2 VAL A 108 -16.598 -11.216 9.464 1.00 0.00 C ATOM 0 H VAL A 108 -14.592 -9.273 6.287 1.00 0.00 H new ATOM 0 HA VAL A 108 -16.597 -9.005 8.410 1.00 0.00 H new ATOM 0 HB VAL A 108 -14.981 -11.308 7.970 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -14.103 -11.736 10.241 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -13.256 -10.425 9.385 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -14.436 -10.039 10.660 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -16.394 -12.181 9.928 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -16.932 -10.511 10.225 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -17.377 -11.333 8.711 1.00 0.00 H new ATOM 1230 N ALA A 109 -13.590 -7.825 7.990 1.00 0.00 N ATOM 1231 CA ALA A 109 -12.718 -6.706 8.349 1.00 0.00 C ATOM 1232 C ALA A 109 -12.139 -6.096 7.069 1.00 0.00 C ATOM 1233 O ALA A 109 -11.060 -5.454 7.112 1.00 0.00 O ATOM 1234 CB ALA A 109 -11.616 -7.179 9.311 1.00 0.00 C ATOM 1235 OXT ALA A 109 -12.792 -6.263 6.018 1.00 0.00 O ATOM 0 H ALA A 109 -13.271 -8.330 7.163 1.00 0.00 H new ATOM 0 HA ALA A 109 -13.288 -5.936 8.869 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -10.974 -6.337 9.571 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -12.071 -7.581 10.216 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -11.021 -7.955 8.829 1.00 0.00 H new TER 1241 ALA A 109