USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 494 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 Single : A 40 ASN : amide:sc= -1.66 K(o=-1.7,f=-2.8!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 137:sc= -1.58 (180deg=-2.63!) USER MOD Single : A 50 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl -124:sc= -5.14! (180deg=-9.34!) USER MOD Single : A 74 ASN : amide:sc=-0.000912 K(o=-0.00091,f=-1.3) USER MOD Single : A 75 CYS SG : rot 180:sc= -3.43! USER MOD Single : A 79 THR OG1 : rot 78:sc= -1.45! USER MOD Single : A 80 TYR OH : rot -15:sc= -7.32! USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 94 ASN : amide:sc= -0.379 K(o=-0.38,f=-4.9!) USER MOD Single : A 96 THR OG1 : rot -94:sc= 1.11 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 100 SER OG : rot 7:sc= 1.07 USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 78 N ASN A 40 21.447 22.725 14.345 1.00 0.00 N ATOM 79 CA ASN A 40 20.765 22.031 13.216 1.00 0.00 C ATOM 80 C ASN A 40 21.818 21.495 12.246 1.00 0.00 C ATOM 81 O ASN A 40 22.616 22.238 11.711 1.00 0.00 O ATOM 82 CB ASN A 40 19.848 23.013 12.483 1.00 0.00 C ATOM 83 CG ASN A 40 18.946 22.239 11.519 1.00 0.00 C ATOM 84 OD1 ASN A 40 18.963 21.024 11.498 1.00 0.00 O ATOM 85 ND2 ASN A 40 18.154 22.893 10.715 1.00 0.00 N ATOM 0 HA ASN A 40 20.168 21.206 13.604 1.00 0.00 H new ATOM 0 HB2 ASN A 40 19.242 23.567 13.200 1.00 0.00 H new ATOM 0 HB3 ASN A 40 20.443 23.744 11.935 1.00 0.00 H new ATOM 0 HD21 ASN A 40 17.550 22.385 10.069 1.00 0.00 H new ATOM 0 HD22 ASN A 40 18.139 23.913 10.732 1.00 0.00 H new ATOM 92 N THR A 41 21.832 20.210 12.018 1.00 0.00 N ATOM 93 CA THR A 41 22.840 19.632 11.087 1.00 0.00 C ATOM 94 C THR A 41 22.330 19.736 9.647 1.00 0.00 C ATOM 95 O THR A 41 21.160 19.553 9.377 1.00 0.00 O ATOM 96 CB THR A 41 23.075 18.161 11.440 1.00 0.00 C ATOM 97 OG1 THR A 41 23.525 18.066 12.783 1.00 0.00 O ATOM 98 CG2 THR A 41 24.132 17.574 10.503 1.00 0.00 C ATOM 0 H THR A 41 21.190 19.537 12.436 1.00 0.00 H new ATOM 0 HA THR A 41 23.776 20.183 11.179 1.00 0.00 H new ATOM 0 HB THR A 41 22.144 17.605 11.328 1.00 0.00 H new ATOM 0 HG1 THR A 41 23.675 17.125 13.012 1.00 0.00 H new ATOM 0 HG21 THR A 41 24.300 16.527 10.754 1.00 0.00 H new ATOM 0 HG22 THR A 41 23.786 17.649 9.472 1.00 0.00 H new ATOM 0 HG23 THR A 41 25.064 18.127 10.614 1.00 0.00 H new ATOM 106 N LEU A 42 23.202 20.027 8.720 1.00 0.00 N ATOM 107 CA LEU A 42 22.770 20.141 7.298 1.00 0.00 C ATOM 108 C LEU A 42 23.511 19.101 6.458 1.00 0.00 C ATOM 109 O LEU A 42 24.634 18.742 6.746 1.00 0.00 O ATOM 110 CB LEU A 42 23.095 21.541 6.774 1.00 0.00 C ATOM 111 CG LEU A 42 22.339 22.582 7.601 1.00 0.00 C ATOM 112 CD1 LEU A 42 23.204 23.015 8.786 1.00 0.00 C ATOM 113 CD2 LEU A 42 22.024 23.798 6.727 1.00 0.00 C ATOM 0 H LEU A 42 24.195 20.191 8.886 1.00 0.00 H new ATOM 0 HA LEU A 42 21.696 19.969 7.231 1.00 0.00 H new ATOM 0 HB2 LEU A 42 24.168 21.723 6.833 1.00 0.00 H new ATOM 0 HB3 LEU A 42 22.815 21.622 5.724 1.00 0.00 H new ATOM 0 HG LEU A 42 21.408 22.149 7.968 1.00 0.00 H new ATOM 0 HD11 LEU A 42 22.667 23.757 9.377 1.00 0.00 H new ATOM 0 HD12 LEU A 42 23.428 22.149 9.408 1.00 0.00 H new ATOM 0 HD13 LEU A 42 24.134 23.448 8.418 1.00 0.00 H new ATOM 0 HD21 LEU A 42 21.485 24.540 7.316 1.00 0.00 H new ATOM 0 HD22 LEU A 42 22.954 24.232 6.359 1.00 0.00 H new ATOM 0 HD23 LEU A 42 21.408 23.489 5.882 1.00 0.00 H new ATOM 125 N TYR A 43 22.889 18.612 5.419 1.00 0.00 N ATOM 126 CA TYR A 43 23.558 17.593 4.561 1.00 0.00 C ATOM 127 C TYR A 43 24.077 18.258 3.283 1.00 0.00 C ATOM 128 O TYR A 43 23.314 18.716 2.456 1.00 0.00 O ATOM 129 CB TYR A 43 22.554 16.498 4.195 1.00 0.00 C ATOM 130 CG TYR A 43 23.164 15.579 3.165 1.00 0.00 C ATOM 131 CD1 TYR A 43 23.949 14.495 3.573 1.00 0.00 C ATOM 132 CD2 TYR A 43 22.945 15.811 1.801 1.00 0.00 C ATOM 133 CE1 TYR A 43 24.516 13.642 2.618 1.00 0.00 C ATOM 134 CE2 TYR A 43 23.512 14.958 0.846 1.00 0.00 C ATOM 135 CZ TYR A 43 24.298 13.873 1.255 1.00 0.00 C ATOM 136 OH TYR A 43 24.856 13.033 0.313 1.00 0.00 O ATOM 0 H TYR A 43 21.947 18.874 5.128 1.00 0.00 H new ATOM 0 HA TYR A 43 24.394 17.154 5.105 1.00 0.00 H new ATOM 0 HB2 TYR A 43 22.277 15.932 5.084 1.00 0.00 H new ATOM 0 HB3 TYR A 43 21.640 16.944 3.804 1.00 0.00 H new ATOM 0 HD1 TYR A 43 24.118 14.316 4.625 1.00 0.00 H new ATOM 0 HD2 TYR A 43 22.339 16.648 1.486 1.00 0.00 H new ATOM 0 HE1 TYR A 43 25.122 12.805 2.933 1.00 0.00 H new ATOM 0 HE2 TYR A 43 23.343 15.137 -0.206 1.00 0.00 H new ATOM 0 HH TYR A 43 24.605 13.335 -0.585 1.00 0.00 H new ATOM 146 N VAL A 44 25.371 18.314 3.116 1.00 0.00 N ATOM 147 CA VAL A 44 25.940 18.948 1.893 1.00 0.00 C ATOM 148 C VAL A 44 26.549 17.869 0.995 1.00 0.00 C ATOM 149 O VAL A 44 27.193 16.950 1.462 1.00 0.00 O ATOM 150 CB VAL A 44 27.026 19.948 2.297 1.00 0.00 C ATOM 151 CG1 VAL A 44 27.444 20.767 1.075 1.00 0.00 C ATOM 152 CG2 VAL A 44 26.481 20.885 3.377 1.00 0.00 C ATOM 0 H VAL A 44 26.059 17.948 3.774 1.00 0.00 H new ATOM 0 HA VAL A 44 25.150 19.468 1.351 1.00 0.00 H new ATOM 0 HB VAL A 44 27.890 19.409 2.686 1.00 0.00 H new ATOM 0 HG11 VAL A 44 28.217 21.480 1.362 1.00 0.00 H new ATOM 0 HG12 VAL A 44 27.832 20.100 0.305 1.00 0.00 H new ATOM 0 HG13 VAL A 44 26.580 21.306 0.686 1.00 0.00 H new ATOM 0 HG21 VAL A 44 27.254 21.597 3.665 1.00 0.00 H new ATOM 0 HG22 VAL A 44 25.617 21.425 2.989 1.00 0.00 H new ATOM 0 HG23 VAL A 44 26.183 20.302 4.248 1.00 0.00 H new ATOM 162 N TYR A 45 26.349 17.971 -0.291 1.00 0.00 N ATOM 163 CA TYR A 45 26.916 16.949 -1.216 1.00 0.00 C ATOM 164 C TYR A 45 27.578 17.646 -2.406 1.00 0.00 C ATOM 165 O TYR A 45 27.011 18.536 -3.010 1.00 0.00 O ATOM 166 CB TYR A 45 25.794 16.038 -1.719 1.00 0.00 C ATOM 167 CG TYR A 45 26.351 15.072 -2.738 1.00 0.00 C ATOM 168 CD1 TYR A 45 26.925 13.866 -2.319 1.00 0.00 C ATOM 169 CD2 TYR A 45 26.294 15.384 -4.102 1.00 0.00 C ATOM 170 CE1 TYR A 45 27.442 12.971 -3.263 1.00 0.00 C ATOM 171 CE2 TYR A 45 26.811 14.489 -5.046 1.00 0.00 C ATOM 172 CZ TYR A 45 27.385 13.282 -4.627 1.00 0.00 C ATOM 173 OH TYR A 45 27.895 12.401 -5.559 1.00 0.00 O ATOM 0 H TYR A 45 25.818 18.717 -0.740 1.00 0.00 H new ATOM 0 HA TYR A 45 27.659 16.353 -0.686 1.00 0.00 H new ATOM 0 HB2 TYR A 45 25.354 15.491 -0.885 1.00 0.00 H new ATOM 0 HB3 TYR A 45 24.998 16.635 -2.164 1.00 0.00 H new ATOM 0 HD1 TYR A 45 26.969 13.626 -1.267 1.00 0.00 H new ATOM 0 HD2 TYR A 45 25.851 16.315 -4.425 1.00 0.00 H new ATOM 0 HE1 TYR A 45 27.885 12.041 -2.939 1.00 0.00 H new ATOM 0 HE2 TYR A 45 26.767 14.729 -6.098 1.00 0.00 H new ATOM 0 HH TYR A 45 27.774 12.770 -6.459 1.00 0.00 H new ATOM 183 N GLY A 46 28.773 17.248 -2.749 1.00 0.00 N ATOM 184 CA GLY A 46 29.470 17.888 -3.900 1.00 0.00 C ATOM 185 C GLY A 46 30.797 17.172 -4.155 1.00 0.00 C ATOM 186 O GLY A 46 31.047 16.102 -3.636 1.00 0.00 O ATOM 0 H GLY A 46 29.296 16.508 -2.282 1.00 0.00 H new ATOM 0 HA2 GLY A 46 28.843 17.842 -4.790 1.00 0.00 H new ATOM 0 HA3 GLY A 46 29.648 18.943 -3.690 1.00 0.00 H new ATOM 190 N GLU A 47 31.652 17.753 -4.953 1.00 0.00 N ATOM 191 CA GLU A 47 32.962 17.105 -5.242 1.00 0.00 C ATOM 192 C GLU A 47 34.095 17.995 -4.723 1.00 0.00 C ATOM 193 O GLU A 47 33.929 19.184 -4.541 1.00 0.00 O ATOM 194 CB GLU A 47 33.114 16.914 -6.752 1.00 0.00 C ATOM 195 CG GLU A 47 31.933 16.101 -7.285 1.00 0.00 C ATOM 196 CD GLU A 47 32.102 15.879 -8.788 1.00 0.00 C ATOM 197 OE1 GLU A 47 32.984 16.494 -9.363 1.00 0.00 O ATOM 198 OE2 GLU A 47 31.345 15.096 -9.340 1.00 0.00 O ATOM 0 H GLU A 47 31.499 18.648 -5.417 1.00 0.00 H new ATOM 0 HA GLU A 47 33.006 16.135 -4.747 1.00 0.00 H new ATOM 0 HB2 GLU A 47 33.156 17.883 -7.249 1.00 0.00 H new ATOM 0 HB3 GLU A 47 34.051 16.402 -6.972 1.00 0.00 H new ATOM 0 HG2 GLU A 47 31.876 15.142 -6.769 1.00 0.00 H new ATOM 0 HG3 GLU A 47 30.998 16.626 -7.087 1.00 0.00 H new ATOM 205 N ASP A 48 35.245 17.426 -4.482 1.00 0.00 N ATOM 206 CA ASP A 48 36.387 18.239 -3.975 1.00 0.00 C ATOM 207 C ASP A 48 35.891 19.182 -2.877 1.00 0.00 C ATOM 208 O ASP A 48 36.264 20.338 -2.822 1.00 0.00 O ATOM 209 CB ASP A 48 36.979 19.059 -5.122 1.00 0.00 C ATOM 210 CG ASP A 48 38.228 19.794 -4.632 1.00 0.00 C ATOM 211 OD1 ASP A 48 39.287 19.190 -4.634 1.00 0.00 O ATOM 212 OD2 ASP A 48 38.103 20.950 -4.262 1.00 0.00 O ATOM 0 H ASP A 48 35.443 16.434 -4.614 1.00 0.00 H new ATOM 0 HA ASP A 48 37.153 17.578 -3.569 1.00 0.00 H new ATOM 0 HB2 ASP A 48 37.233 18.406 -5.957 1.00 0.00 H new ATOM 0 HB3 ASP A 48 36.243 19.775 -5.489 1.00 0.00 H new ATOM 217 N MET A 49 35.054 18.699 -2.001 1.00 0.00 N ATOM 218 CA MET A 49 34.537 19.570 -0.907 1.00 0.00 C ATOM 219 C MET A 49 35.637 19.794 0.132 1.00 0.00 C ATOM 220 O MET A 49 36.375 18.891 0.473 1.00 0.00 O ATOM 221 CB MET A 49 33.336 18.895 -0.243 1.00 0.00 C ATOM 222 CG MET A 49 32.370 18.394 -1.319 1.00 0.00 C ATOM 223 SD MET A 49 31.055 17.423 -0.543 1.00 0.00 S ATOM 224 CE MET A 49 30.170 18.808 0.215 1.00 0.00 C ATOM 0 H MET A 49 34.706 17.740 -1.995 1.00 0.00 H new ATOM 0 HA MET A 49 34.230 20.530 -1.322 1.00 0.00 H new ATOM 0 HB2 MET A 49 33.670 18.063 0.376 1.00 0.00 H new ATOM 0 HB3 MET A 49 32.829 19.599 0.416 1.00 0.00 H new ATOM 0 HG2 MET A 49 31.943 19.238 -1.861 1.00 0.00 H new ATOM 0 HG3 MET A 49 32.905 17.785 -2.048 1.00 0.00 H new ATOM 0 HE1 MET A 49 29.097 18.675 0.075 1.00 0.00 H new ATOM 0 HE2 MET A 49 30.395 18.844 1.281 1.00 0.00 H new ATOM 0 HE3 MET A 49 30.484 19.741 -0.254 1.00 0.00 H new ATOM 234 N THR A 50 35.752 20.992 0.637 1.00 0.00 N ATOM 235 CA THR A 50 36.804 21.275 1.654 1.00 0.00 C ATOM 236 C THR A 50 36.158 21.894 2.896 1.00 0.00 C ATOM 237 O THR A 50 35.041 22.371 2.853 1.00 0.00 O ATOM 238 CB THR A 50 37.826 22.254 1.071 1.00 0.00 C ATOM 239 OG1 THR A 50 37.147 23.265 0.339 1.00 0.00 O ATOM 240 CG2 THR A 50 38.783 21.503 0.143 1.00 0.00 C ATOM 0 H THR A 50 35.163 21.787 0.389 1.00 0.00 H new ATOM 0 HA THR A 50 37.304 20.346 1.928 1.00 0.00 H new ATOM 0 HB THR A 50 38.394 22.712 1.881 1.00 0.00 H new ATOM 0 HG1 THR A 50 37.800 23.894 -0.033 1.00 0.00 H new ATOM 0 HG21 THR A 50 39.510 22.201 -0.272 1.00 0.00 H new ATOM 0 HG22 THR A 50 39.304 20.729 0.707 1.00 0.00 H new ATOM 0 HG23 THR A 50 38.218 21.044 -0.668 1.00 0.00 H new ATOM 248 N PRO A 51 36.881 21.881 4.027 1.00 0.00 N ATOM 249 CA PRO A 51 36.384 22.440 5.291 1.00 0.00 C ATOM 250 C PRO A 51 36.303 23.969 5.242 1.00 0.00 C ATOM 251 O PRO A 51 35.290 24.557 5.565 1.00 0.00 O ATOM 252 CB PRO A 51 37.434 22.005 6.312 1.00 0.00 C ATOM 253 CG PRO A 51 38.678 21.808 5.513 1.00 0.00 C ATOM 254 CD PRO A 51 38.237 21.322 4.161 1.00 0.00 C ATOM 0 HA PRO A 51 35.376 22.095 5.523 1.00 0.00 H new ATOM 0 HB2 PRO A 51 37.574 22.762 7.083 1.00 0.00 H new ATOM 0 HB3 PRO A 51 37.138 21.086 6.818 1.00 0.00 H new ATOM 0 HG2 PRO A 51 39.237 22.740 5.428 1.00 0.00 H new ATOM 0 HG3 PRO A 51 39.337 21.083 5.991 1.00 0.00 H new ATOM 0 HD2 PRO A 51 38.898 21.677 3.370 1.00 0.00 H new ATOM 0 HD3 PRO A 51 38.231 20.233 4.107 1.00 0.00 H new ATOM 262 N THR A 52 37.363 24.617 4.841 1.00 0.00 N ATOM 263 CA THR A 52 37.345 26.105 4.771 1.00 0.00 C ATOM 264 C THR A 52 36.261 26.555 3.790 1.00 0.00 C ATOM 265 O THR A 52 35.549 27.510 4.030 1.00 0.00 O ATOM 266 CB THR A 52 38.708 26.611 4.294 1.00 0.00 C ATOM 267 OG1 THR A 52 39.726 26.084 5.133 1.00 0.00 O ATOM 268 CG2 THR A 52 38.736 28.138 4.351 1.00 0.00 C ATOM 0 H THR A 52 38.240 24.180 4.559 1.00 0.00 H new ATOM 0 HA THR A 52 37.133 26.513 5.759 1.00 0.00 H new ATOM 0 HB THR A 52 38.878 26.286 3.268 1.00 0.00 H new ATOM 0 HG1 THR A 52 40.600 26.405 4.828 1.00 0.00 H new ATOM 0 HG21 THR A 52 39.707 28.497 4.011 1.00 0.00 H new ATOM 0 HG22 THR A 52 37.954 28.541 3.707 1.00 0.00 H new ATOM 0 HG23 THR A 52 38.566 28.467 5.376 1.00 0.00 H new ATOM 276 N LEU A 53 36.130 25.872 2.685 1.00 0.00 N ATOM 277 CA LEU A 53 35.092 26.260 1.689 1.00 0.00 C ATOM 278 C LEU A 53 33.703 26.027 2.287 1.00 0.00 C ATOM 279 O LEU A 53 32.835 26.874 2.209 1.00 0.00 O ATOM 280 CB LEU A 53 35.256 25.409 0.427 1.00 0.00 C ATOM 281 CG LEU A 53 34.252 25.867 -0.633 1.00 0.00 C ATOM 282 CD1 LEU A 53 34.768 27.141 -1.306 1.00 0.00 C ATOM 283 CD2 LEU A 53 34.084 24.769 -1.685 1.00 0.00 C ATOM 0 H LEU A 53 36.696 25.063 2.430 1.00 0.00 H new ATOM 0 HA LEU A 53 35.205 27.314 1.433 1.00 0.00 H new ATOM 0 HB2 LEU A 53 36.272 25.500 0.044 1.00 0.00 H new ATOM 0 HB3 LEU A 53 35.097 24.357 0.662 1.00 0.00 H new ATOM 0 HG LEU A 53 33.291 26.068 -0.160 1.00 0.00 H new ATOM 0 HD11 LEU A 53 34.054 27.468 -2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 53 34.889 27.924 -0.558 1.00 0.00 H new ATOM 0 HD13 LEU A 53 35.729 26.939 -1.779 1.00 0.00 H new ATOM 0 HD21 LEU A 53 33.369 25.095 -2.440 1.00 0.00 H new ATOM 0 HD22 LEU A 53 35.045 24.568 -2.158 1.00 0.00 H new ATOM 0 HD23 LEU A 53 33.718 23.860 -1.207 1.00 0.00 H new ATOM 295 N LEU A 54 33.487 24.888 2.885 1.00 0.00 N ATOM 296 CA LEU A 54 32.154 24.604 3.488 1.00 0.00 C ATOM 297 C LEU A 54 31.831 25.677 4.531 1.00 0.00 C ATOM 298 O LEU A 54 30.742 26.214 4.566 1.00 0.00 O ATOM 299 CB LEU A 54 32.181 23.230 4.162 1.00 0.00 C ATOM 300 CG LEU A 54 32.306 22.141 3.094 1.00 0.00 C ATOM 301 CD1 LEU A 54 33.045 20.935 3.680 1.00 0.00 C ATOM 302 CD2 LEU A 54 30.910 21.710 2.639 1.00 0.00 C ATOM 0 H LEU A 54 34.176 24.142 2.982 1.00 0.00 H new ATOM 0 HA LEU A 54 31.392 24.611 2.709 1.00 0.00 H new ATOM 0 HB2 LEU A 54 33.018 23.170 4.857 1.00 0.00 H new ATOM 0 HB3 LEU A 54 31.272 23.081 4.744 1.00 0.00 H new ATOM 0 HG LEU A 54 32.862 22.530 2.241 1.00 0.00 H new ATOM 0 HD11 LEU A 54 33.135 20.159 2.920 1.00 0.00 H new ATOM 0 HD12 LEU A 54 34.039 21.241 4.006 1.00 0.00 H new ATOM 0 HD13 LEU A 54 32.488 20.546 4.532 1.00 0.00 H new ATOM 0 HD21 LEU A 54 30.999 20.934 1.878 1.00 0.00 H new ATOM 0 HD22 LEU A 54 30.354 21.320 3.491 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.382 22.568 2.223 1.00 0.00 H new ATOM 314 N ARG A 55 32.770 25.992 5.382 1.00 0.00 N ATOM 315 CA ARG A 55 32.517 27.029 6.421 1.00 0.00 C ATOM 316 C ARG A 55 32.091 28.334 5.748 1.00 0.00 C ATOM 317 O ARG A 55 31.254 29.057 6.250 1.00 0.00 O ATOM 318 CB ARG A 55 33.797 27.264 7.226 1.00 0.00 C ATOM 319 CG ARG A 55 34.114 26.020 8.055 1.00 0.00 C ATOM 320 CD ARG A 55 35.352 26.281 8.917 1.00 0.00 C ATOM 321 NE ARG A 55 35.775 25.014 9.576 1.00 0.00 N ATOM 322 CZ ARG A 55 37.044 24.727 9.683 1.00 0.00 C ATOM 323 NH1 ARG A 55 37.860 25.575 10.247 1.00 0.00 N ATOM 324 NH2 ARG A 55 37.497 23.590 9.229 1.00 0.00 N ATOM 0 H ARG A 55 33.701 25.576 5.402 1.00 0.00 H new ATOM 0 HA ARG A 55 31.724 26.690 7.088 1.00 0.00 H new ATOM 0 HB2 ARG A 55 34.626 27.487 6.554 1.00 0.00 H new ATOM 0 HB3 ARG A 55 33.675 28.128 7.879 1.00 0.00 H new ATOM 0 HG2 ARG A 55 33.264 25.766 8.688 1.00 0.00 H new ATOM 0 HG3 ARG A 55 34.288 25.167 7.399 1.00 0.00 H new ATOM 0 HD2 ARG A 55 36.162 26.671 8.300 1.00 0.00 H new ATOM 0 HD3 ARG A 55 35.131 27.038 9.669 1.00 0.00 H new ATOM 0 HE ARG A 55 35.074 24.371 9.943 1.00 0.00 H new ATOM 0 HH11 ARG A 55 37.506 26.462 10.604 1.00 0.00 H new ATOM 0 HH12 ARG A 55 38.851 25.350 10.330 1.00 0.00 H new ATOM 0 HH21 ARG A 55 36.859 22.926 8.790 1.00 0.00 H new ATOM 0 HH22 ARG A 55 38.489 23.366 9.313 1.00 0.00 H new ATOM 338 N GLY A 56 32.660 28.642 4.615 1.00 0.00 N ATOM 339 CA GLY A 56 32.285 29.901 3.911 1.00 0.00 C ATOM 340 C GLY A 56 30.843 29.798 3.411 1.00 0.00 C ATOM 341 O GLY A 56 30.124 30.775 3.355 1.00 0.00 O ATOM 0 H GLY A 56 33.368 28.077 4.146 1.00 0.00 H new ATOM 0 HA2 GLY A 56 32.387 30.751 4.585 1.00 0.00 H new ATOM 0 HA3 GLY A 56 32.960 30.076 3.073 1.00 0.00 H new ATOM 345 N ALA A 57 30.415 28.620 3.046 1.00 0.00 N ATOM 346 CA ALA A 57 29.019 28.457 2.548 1.00 0.00 C ATOM 347 C ALA A 57 28.044 28.564 3.723 1.00 0.00 C ATOM 348 O ALA A 57 26.885 28.887 3.552 1.00 0.00 O ATOM 349 CB ALA A 57 28.871 27.085 1.885 1.00 0.00 C ATOM 0 H ALA A 57 30.970 27.765 3.071 1.00 0.00 H new ATOM 0 HA ALA A 57 28.798 29.238 1.820 1.00 0.00 H new ATOM 0 HB1 ALA A 57 27.851 26.965 1.521 1.00 0.00 H new ATOM 0 HB2 ALA A 57 29.566 27.008 1.049 1.00 0.00 H new ATOM 0 HB3 ALA A 57 29.091 26.304 2.613 1.00 0.00 H new ATOM 355 N PHE A 58 28.504 28.293 4.913 1.00 0.00 N ATOM 356 CA PHE A 58 27.603 28.379 6.097 1.00 0.00 C ATOM 357 C PHE A 58 28.140 29.430 7.071 1.00 0.00 C ATOM 358 O PHE A 58 27.662 29.565 8.180 1.00 0.00 O ATOM 359 CB PHE A 58 27.553 27.018 6.796 1.00 0.00 C ATOM 360 CG PHE A 58 26.968 25.989 5.859 1.00 0.00 C ATOM 361 CD1 PHE A 58 25.583 25.795 5.810 1.00 0.00 C ATOM 362 CD2 PHE A 58 27.812 25.227 5.041 1.00 0.00 C ATOM 363 CE1 PHE A 58 25.041 24.840 4.941 1.00 0.00 C ATOM 364 CE2 PHE A 58 27.270 24.272 4.173 1.00 0.00 C ATOM 365 CZ PHE A 58 25.884 24.078 4.123 1.00 0.00 C ATOM 0 H PHE A 58 29.464 28.016 5.117 1.00 0.00 H new ATOM 0 HA PHE A 58 26.601 28.661 5.773 1.00 0.00 H new ATOM 0 HB2 PHE A 58 28.555 26.718 7.102 1.00 0.00 H new ATOM 0 HB3 PHE A 58 26.950 27.085 7.701 1.00 0.00 H new ATOM 0 HD1 PHE A 58 24.933 26.381 6.442 1.00 0.00 H new ATOM 0 HD2 PHE A 58 28.881 25.376 5.080 1.00 0.00 H new ATOM 0 HE1 PHE A 58 23.972 24.691 4.902 1.00 0.00 H new ATOM 0 HE2 PHE A 58 27.921 23.685 3.542 1.00 0.00 H new ATOM 0 HZ PHE A 58 25.466 23.341 3.454 1.00 0.00 H new ATOM 375 N SER A 59 29.135 30.172 6.668 1.00 0.00 N ATOM 376 CA SER A 59 29.708 31.210 7.572 1.00 0.00 C ATOM 377 C SER A 59 28.756 32.407 7.659 1.00 0.00 C ATOM 378 O SER A 59 28.318 32.784 8.728 1.00 0.00 O ATOM 379 CB SER A 59 31.057 31.674 7.021 1.00 0.00 C ATOM 380 OG SER A 59 31.262 33.038 7.353 1.00 0.00 O ATOM 0 H SER A 59 29.576 30.104 5.751 1.00 0.00 H new ATOM 0 HA SER A 59 29.843 30.785 8.567 1.00 0.00 H new ATOM 0 HB2 SER A 59 31.860 31.064 7.435 1.00 0.00 H new ATOM 0 HB3 SER A 59 31.083 31.544 5.939 1.00 0.00 H new ATOM 0 HG SER A 59 32.127 33.334 7.001 1.00 0.00 H new ATOM 386 N PRO A 60 28.435 33.018 6.508 1.00 0.00 N ATOM 387 CA PRO A 60 27.537 34.179 6.452 1.00 0.00 C ATOM 388 C PRO A 60 26.090 33.799 6.775 1.00 0.00 C ATOM 389 O PRO A 60 25.343 34.578 7.334 1.00 0.00 O ATOM 390 CB PRO A 60 27.646 34.645 5.001 1.00 0.00 C ATOM 391 CG PRO A 60 28.053 33.427 4.243 1.00 0.00 C ATOM 392 CD PRO A 60 28.919 32.624 5.173 1.00 0.00 C ATOM 0 HA PRO A 60 27.810 34.942 7.181 1.00 0.00 H new ATOM 0 HB2 PRO A 60 26.696 35.038 4.639 1.00 0.00 H new ATOM 0 HB3 PRO A 60 28.382 35.442 4.895 1.00 0.00 H new ATOM 0 HG2 PRO A 60 27.180 32.853 3.931 1.00 0.00 H new ATOM 0 HG3 PRO A 60 28.598 33.696 3.338 1.00 0.00 H new ATOM 0 HD2 PRO A 60 28.807 31.553 5.004 1.00 0.00 H new ATOM 0 HD3 PRO A 60 29.975 32.858 5.042 1.00 0.00 H new ATOM 400 N PHE A 61 25.686 32.607 6.427 1.00 0.00 N ATOM 401 CA PHE A 61 24.286 32.182 6.715 1.00 0.00 C ATOM 402 C PHE A 61 24.067 32.145 8.230 1.00 0.00 C ATOM 403 O PHE A 61 22.980 32.392 8.714 1.00 0.00 O ATOM 404 CB PHE A 61 24.044 30.790 6.130 1.00 0.00 C ATOM 405 CG PHE A 61 23.897 30.892 4.630 1.00 0.00 C ATOM 406 CD1 PHE A 61 25.029 30.812 3.810 1.00 0.00 C ATOM 407 CD2 PHE A 61 22.631 31.066 4.060 1.00 0.00 C ATOM 408 CE1 PHE A 61 24.894 30.906 2.419 1.00 0.00 C ATOM 409 CE2 PHE A 61 22.495 31.160 2.669 1.00 0.00 C ATOM 410 CZ PHE A 61 23.627 31.080 1.849 1.00 0.00 C ATOM 0 H PHE A 61 26.264 31.910 5.957 1.00 0.00 H new ATOM 0 HA PHE A 61 23.591 32.890 6.264 1.00 0.00 H new ATOM 0 HB2 PHE A 61 24.874 30.129 6.381 1.00 0.00 H new ATOM 0 HB3 PHE A 61 23.146 30.352 6.565 1.00 0.00 H new ATOM 0 HD1 PHE A 61 26.006 30.678 4.250 1.00 0.00 H new ATOM 0 HD2 PHE A 61 21.758 31.128 4.693 1.00 0.00 H new ATOM 0 HE1 PHE A 61 25.767 30.844 1.786 1.00 0.00 H new ATOM 0 HE2 PHE A 61 21.518 31.294 2.229 1.00 0.00 H new ATOM 0 HZ PHE A 61 23.523 31.153 0.776 1.00 0.00 H new ATOM 420 N GLY A 62 25.089 31.836 8.982 1.00 0.00 N ATOM 421 CA GLY A 62 24.932 31.785 10.463 1.00 0.00 C ATOM 422 C GLY A 62 26.195 31.194 11.094 1.00 0.00 C ATOM 423 O GLY A 62 27.160 30.900 10.417 1.00 0.00 O ATOM 0 H GLY A 62 26.023 31.617 8.635 1.00 0.00 H new ATOM 0 HA2 GLY A 62 24.752 32.786 10.854 1.00 0.00 H new ATOM 0 HA3 GLY A 62 24.065 31.180 10.726 1.00 0.00 H new ATOM 427 N ASN A 63 26.195 31.018 12.388 1.00 0.00 N ATOM 428 CA ASN A 63 27.395 30.446 13.063 1.00 0.00 C ATOM 429 C ASN A 63 27.273 28.921 13.114 1.00 0.00 C ATOM 430 O ASN A 63 26.196 28.380 13.260 1.00 0.00 O ATOM 431 CB ASN A 63 27.492 30.999 14.486 1.00 0.00 C ATOM 432 CG ASN A 63 27.698 32.513 14.433 1.00 0.00 C ATOM 433 OD1 ASN A 63 28.084 33.051 13.414 1.00 0.00 O ATOM 434 ND2 ASN A 63 27.456 33.231 15.496 1.00 0.00 N ATOM 0 H ASN A 63 25.416 31.246 13.006 1.00 0.00 H new ATOM 0 HA ASN A 63 28.291 30.720 12.506 1.00 0.00 H new ATOM 0 HB2 ASN A 63 26.584 30.764 15.041 1.00 0.00 H new ATOM 0 HB3 ASN A 63 28.320 30.527 15.015 1.00 0.00 H new ATOM 0 HD21 ASN A 63 27.591 34.242 15.470 1.00 0.00 H new ATOM 0 HD22 ASN A 63 27.132 32.781 16.352 1.00 0.00 H new ATOM 441 N ILE A 64 28.371 28.225 12.995 1.00 0.00 N ATOM 442 CA ILE A 64 28.318 26.737 13.036 1.00 0.00 C ATOM 443 C ILE A 64 28.883 26.239 14.369 1.00 0.00 C ATOM 444 O ILE A 64 29.945 26.647 14.794 1.00 0.00 O ATOM 445 CB ILE A 64 29.149 26.166 11.885 1.00 0.00 C ATOM 446 CG1 ILE A 64 28.601 26.683 10.553 1.00 0.00 C ATOM 447 CG2 ILE A 64 29.073 24.638 11.911 1.00 0.00 C ATOM 448 CD1 ILE A 64 29.595 26.363 9.434 1.00 0.00 C ATOM 0 H ILE A 64 29.302 28.623 12.871 1.00 0.00 H new ATOM 0 HA ILE A 64 27.283 26.409 12.937 1.00 0.00 H new ATOM 0 HB ILE A 64 30.187 26.480 11.995 1.00 0.00 H new ATOM 0 HG12 ILE A 64 27.637 26.221 10.340 1.00 0.00 H new ATOM 0 HG13 ILE A 64 28.434 27.759 10.609 1.00 0.00 H new ATOM 0 HG21 ILE A 64 29.665 24.230 11.091 1.00 0.00 H new ATOM 0 HG22 ILE A 64 29.465 24.270 12.859 1.00 0.00 H new ATOM 0 HG23 ILE A 64 28.035 24.323 11.801 1.00 0.00 H new ATOM 0 HD11 ILE A 64 29.205 26.731 8.485 1.00 0.00 H new ATOM 0 HD12 ILE A 64 30.549 26.845 9.646 1.00 0.00 H new ATOM 0 HD13 ILE A 64 29.739 25.284 9.373 1.00 0.00 H new ATOM 460 N ILE A 65 28.181 25.359 15.030 1.00 0.00 N ATOM 461 CA ILE A 65 28.679 24.835 16.334 1.00 0.00 C ATOM 462 C ILE A 65 29.498 23.566 16.092 1.00 0.00 C ATOM 463 O ILE A 65 30.326 23.187 16.895 1.00 0.00 O ATOM 464 CB ILE A 65 27.491 24.509 17.242 1.00 0.00 C ATOM 465 CG1 ILE A 65 26.710 23.328 16.660 1.00 0.00 C ATOM 466 CG2 ILE A 65 26.572 25.729 17.338 1.00 0.00 C ATOM 467 CD1 ILE A 65 25.552 22.969 17.593 1.00 0.00 C ATOM 0 H ILE A 65 27.285 24.980 14.724 1.00 0.00 H new ATOM 0 HA ILE A 65 29.305 25.588 16.813 1.00 0.00 H new ATOM 0 HB ILE A 65 27.856 24.249 18.236 1.00 0.00 H new ATOM 0 HG12 ILE A 65 26.328 23.583 15.671 1.00 0.00 H new ATOM 0 HG13 ILE A 65 27.369 22.469 16.535 1.00 0.00 H new ATOM 0 HG21 ILE A 65 25.726 25.497 17.985 1.00 0.00 H new ATOM 0 HG22 ILE A 65 27.126 26.570 17.754 1.00 0.00 H new ATOM 0 HG23 ILE A 65 26.208 25.990 16.344 1.00 0.00 H new ATOM 0 HD11 ILE A 65 24.997 22.128 17.177 1.00 0.00 H new ATOM 0 HD12 ILE A 65 25.945 22.696 18.572 1.00 0.00 H new ATOM 0 HD13 ILE A 65 24.888 23.827 17.695 1.00 0.00 H new ATOM 479 N ASP A 66 29.271 22.904 14.990 1.00 0.00 N ATOM 480 CA ASP A 66 30.035 21.658 14.696 1.00 0.00 C ATOM 481 C ASP A 66 30.190 21.500 13.181 1.00 0.00 C ATOM 482 O ASP A 66 29.225 21.327 12.464 1.00 0.00 O ATOM 483 CB ASP A 66 29.280 20.453 15.260 1.00 0.00 C ATOM 484 CG ASP A 66 30.171 19.212 15.188 1.00 0.00 C ATOM 485 OD1 ASP A 66 31.319 19.353 14.801 1.00 0.00 O ATOM 486 OD2 ASP A 66 29.690 18.141 15.520 1.00 0.00 O ATOM 0 H ASP A 66 28.589 23.172 14.280 1.00 0.00 H new ATOM 0 HA ASP A 66 31.021 21.718 15.157 1.00 0.00 H new ATOM 0 HB2 ASP A 66 28.988 20.644 16.293 1.00 0.00 H new ATOM 0 HB3 ASP A 66 28.363 20.288 14.695 1.00 0.00 H new ATOM 491 N LEU A 67 31.398 21.558 12.689 1.00 0.00 N ATOM 492 CA LEU A 67 31.613 21.411 11.221 1.00 0.00 C ATOM 493 C LEU A 67 32.158 20.013 10.922 1.00 0.00 C ATOM 494 O LEU A 67 33.251 19.664 11.322 1.00 0.00 O ATOM 495 CB LEU A 67 32.620 22.462 10.747 1.00 0.00 C ATOM 496 CG LEU A 67 32.441 22.701 9.246 1.00 0.00 C ATOM 497 CD1 LEU A 67 32.602 21.379 8.494 1.00 0.00 C ATOM 498 CD2 LEU A 67 31.046 23.272 8.984 1.00 0.00 C ATOM 0 H LEU A 67 32.245 21.701 13.240 1.00 0.00 H new ATOM 0 HA LEU A 67 30.666 21.551 10.699 1.00 0.00 H new ATOM 0 HB2 LEU A 67 32.474 23.393 11.294 1.00 0.00 H new ATOM 0 HB3 LEU A 67 33.636 22.127 10.954 1.00 0.00 H new ATOM 0 HG LEU A 67 33.194 23.408 8.899 1.00 0.00 H new ATOM 0 HD11 LEU A 67 32.474 21.550 7.425 1.00 0.00 H new ATOM 0 HD12 LEU A 67 33.596 20.973 8.680 1.00 0.00 H new ATOM 0 HD13 LEU A 67 31.850 20.670 8.840 1.00 0.00 H new ATOM 0 HD21 LEU A 67 30.918 23.443 7.915 1.00 0.00 H new ATOM 0 HD22 LEU A 67 30.292 22.565 9.332 1.00 0.00 H new ATOM 0 HD23 LEU A 67 30.933 24.215 9.518 1.00 0.00 H new ATOM 510 N SER A 68 31.406 19.208 10.222 1.00 0.00 N ATOM 511 CA SER A 68 31.884 17.834 9.899 1.00 0.00 C ATOM 512 C SER A 68 31.967 17.665 8.380 1.00 0.00 C ATOM 513 O SER A 68 31.218 18.269 7.638 1.00 0.00 O ATOM 514 CB SER A 68 30.908 16.805 10.473 1.00 0.00 C ATOM 515 OG SER A 68 31.384 15.496 10.198 1.00 0.00 O ATOM 0 H SER A 68 30.482 19.442 9.860 1.00 0.00 H new ATOM 0 HA SER A 68 32.871 17.682 10.336 1.00 0.00 H new ATOM 0 HB2 SER A 68 30.804 16.947 11.549 1.00 0.00 H new ATOM 0 HB3 SER A 68 29.919 16.943 10.036 1.00 0.00 H new ATOM 0 HG SER A 68 30.760 14.837 10.567 1.00 0.00 H new ATOM 521 N MET A 69 32.872 16.850 7.913 1.00 0.00 N ATOM 522 CA MET A 69 33.003 16.643 6.443 1.00 0.00 C ATOM 523 C MET A 69 32.982 15.144 6.135 1.00 0.00 C ATOM 524 O MET A 69 33.422 14.332 6.925 1.00 0.00 O ATOM 525 CB MET A 69 34.323 17.245 5.959 1.00 0.00 C ATOM 526 CG MET A 69 34.235 18.773 6.003 1.00 0.00 C ATOM 527 SD MET A 69 35.688 19.485 5.193 1.00 0.00 S ATOM 528 CE MET A 69 35.386 18.800 3.546 1.00 0.00 C ATOM 0 H MET A 69 33.527 16.318 8.486 1.00 0.00 H new ATOM 0 HA MET A 69 32.173 17.130 5.932 1.00 0.00 H new ATOM 0 HB2 MET A 69 35.144 16.899 6.587 1.00 0.00 H new ATOM 0 HB3 MET A 69 34.536 16.912 4.943 1.00 0.00 H new ATOM 0 HG2 MET A 69 33.326 19.110 5.505 1.00 0.00 H new ATOM 0 HG3 MET A 69 34.177 19.115 7.036 1.00 0.00 H new ATOM 0 HE1 MET A 69 36.255 18.226 3.226 1.00 0.00 H new ATOM 0 HE2 MET A 69 34.512 18.149 3.577 1.00 0.00 H new ATOM 0 HE3 MET A 69 35.208 19.612 2.841 1.00 0.00 H new ATOM 538 N ASP A 70 32.476 14.771 4.991 1.00 0.00 N ATOM 539 CA ASP A 70 32.428 13.325 4.633 1.00 0.00 C ATOM 540 C ASP A 70 33.060 13.121 3.256 1.00 0.00 C ATOM 541 O ASP A 70 32.413 13.261 2.237 1.00 0.00 O ATOM 542 CB ASP A 70 30.972 12.854 4.599 1.00 0.00 C ATOM 543 CG ASP A 70 30.797 11.664 5.545 1.00 0.00 C ATOM 544 OD1 ASP A 70 31.486 10.675 5.356 1.00 0.00 O ATOM 545 OD2 ASP A 70 29.977 11.762 6.443 1.00 0.00 O ATOM 0 H ASP A 70 32.094 15.405 4.289 1.00 0.00 H new ATOM 0 HA ASP A 70 32.979 12.749 5.377 1.00 0.00 H new ATOM 0 HB2 ASP A 70 30.309 13.667 4.894 1.00 0.00 H new ATOM 0 HB3 ASP A 70 30.695 12.569 3.584 1.00 0.00 H new ATOM 550 N PRO A 71 34.359 12.782 3.229 1.00 0.00 N ATOM 551 CA PRO A 71 35.088 12.556 1.981 1.00 0.00 C ATOM 552 C PRO A 71 34.742 11.217 1.298 1.00 0.00 C ATOM 553 O PRO A 71 34.845 11.107 0.092 1.00 0.00 O ATOM 554 CB PRO A 71 36.554 12.572 2.411 1.00 0.00 C ATOM 555 CG PRO A 71 36.549 12.192 3.855 1.00 0.00 C ATOM 556 CD PRO A 71 35.210 12.600 4.419 1.00 0.00 C ATOM 0 HA PRO A 71 34.833 13.312 1.238 1.00 0.00 H new ATOM 0 HB2 PRO A 71 37.144 11.869 1.822 1.00 0.00 H new ATOM 0 HB3 PRO A 71 36.995 13.558 2.266 1.00 0.00 H new ATOM 0 HG2 PRO A 71 36.705 11.119 3.971 1.00 0.00 H new ATOM 0 HG3 PRO A 71 37.359 12.691 4.387 1.00 0.00 H new ATOM 0 HD2 PRO A 71 34.808 11.835 5.084 1.00 0.00 H new ATOM 0 HD3 PRO A 71 35.285 13.519 5.000 1.00 0.00 H new ATOM 564 N PRO A 72 34.330 10.174 2.054 1.00 0.00 N ATOM 565 CA PRO A 72 33.992 8.879 1.453 1.00 0.00 C ATOM 566 C PRO A 72 32.632 8.916 0.750 1.00 0.00 C ATOM 567 O PRO A 72 32.345 8.106 -0.108 1.00 0.00 O ATOM 568 CB PRO A 72 33.933 7.929 2.645 1.00 0.00 C ATOM 569 CG PRO A 72 33.609 8.794 3.815 1.00 0.00 C ATOM 570 CD PRO A 72 34.160 10.163 3.521 1.00 0.00 C ATOM 0 HA PRO A 72 34.715 8.584 0.693 1.00 0.00 H new ATOM 0 HB2 PRO A 72 33.173 7.161 2.500 1.00 0.00 H new ATOM 0 HB3 PRO A 72 34.883 7.414 2.786 1.00 0.00 H new ATOM 0 HG2 PRO A 72 32.532 8.839 3.974 1.00 0.00 H new ATOM 0 HG3 PRO A 72 34.049 8.389 4.726 1.00 0.00 H new ATOM 0 HD2 PRO A 72 33.477 10.947 3.849 1.00 0.00 H new ATOM 0 HD3 PRO A 72 35.107 10.330 4.034 1.00 0.00 H new ATOM 578 N ARG A 73 31.792 9.847 1.110 1.00 0.00 N ATOM 579 CA ARG A 73 30.452 9.930 0.462 1.00 0.00 C ATOM 580 C ARG A 73 30.339 11.239 -0.324 1.00 0.00 C ATOM 581 O ARG A 73 29.306 11.549 -0.883 1.00 0.00 O ATOM 582 CB ARG A 73 29.364 9.884 1.538 1.00 0.00 C ATOM 583 CG ARG A 73 29.409 8.529 2.247 1.00 0.00 C ATOM 584 CD ARG A 73 28.240 8.426 3.228 1.00 0.00 C ATOM 585 NE ARG A 73 28.428 7.231 4.098 1.00 0.00 N ATOM 586 CZ ARG A 73 28.740 7.384 5.356 1.00 0.00 C ATOM 587 NH1 ARG A 73 28.175 8.328 6.059 1.00 0.00 N ATOM 588 NH2 ARG A 73 29.616 6.592 5.912 1.00 0.00 N ATOM 0 H ARG A 73 31.975 10.553 1.823 1.00 0.00 H new ATOM 0 HA ARG A 73 30.327 9.089 -0.220 1.00 0.00 H new ATOM 0 HB2 ARG A 73 29.514 10.689 2.258 1.00 0.00 H new ATOM 0 HB3 ARG A 73 28.384 10.039 1.087 1.00 0.00 H new ATOM 0 HG2 ARG A 73 29.356 7.722 1.516 1.00 0.00 H new ATOM 0 HG3 ARG A 73 30.354 8.416 2.778 1.00 0.00 H new ATOM 0 HD2 ARG A 73 28.182 9.328 3.838 1.00 0.00 H new ATOM 0 HD3 ARG A 73 27.299 8.348 2.683 1.00 0.00 H new ATOM 0 HE ARG A 73 28.313 6.294 3.711 1.00 0.00 H new ATOM 0 HH11 ARG A 73 27.489 8.946 5.625 1.00 0.00 H new ATOM 0 HH12 ARG A 73 28.419 8.447 7.042 1.00 0.00 H new ATOM 0 HH21 ARG A 73 30.057 5.854 5.363 1.00 0.00 H new ATOM 0 HH22 ARG A 73 29.860 6.711 6.895 1.00 0.00 H new ATOM 602 N ASN A 74 31.393 12.008 -0.374 1.00 0.00 N ATOM 603 CA ASN A 74 31.340 13.294 -1.126 1.00 0.00 C ATOM 604 C ASN A 74 30.257 14.192 -0.525 1.00 0.00 C ATOM 605 O ASN A 74 29.477 14.796 -1.233 1.00 0.00 O ATOM 606 CB ASN A 74 31.011 13.012 -2.594 1.00 0.00 C ATOM 607 CG ASN A 74 32.113 12.147 -3.210 1.00 0.00 C ATOM 608 OD1 ASN A 74 33.219 12.106 -2.710 1.00 0.00 O ATOM 609 ND2 ASN A 74 31.855 11.452 -4.283 1.00 0.00 N ATOM 0 H ASN A 74 32.287 11.802 0.072 1.00 0.00 H new ATOM 0 HA ASN A 74 32.306 13.795 -1.059 1.00 0.00 H new ATOM 0 HB2 ASN A 74 30.050 12.503 -2.671 1.00 0.00 H new ATOM 0 HB3 ASN A 74 30.920 13.949 -3.143 1.00 0.00 H new ATOM 0 HD21 ASN A 74 32.582 10.873 -4.703 1.00 0.00 H new ATOM 0 HD22 ASN A 74 30.926 11.487 -4.702 1.00 0.00 H new ATOM 616 N CYS A 75 30.202 14.284 0.775 1.00 0.00 N ATOM 617 CA CYS A 75 29.167 15.143 1.417 1.00 0.00 C ATOM 618 C CYS A 75 29.704 15.689 2.742 1.00 0.00 C ATOM 619 O CYS A 75 30.550 15.089 3.375 1.00 0.00 O ATOM 620 CB CYS A 75 27.909 14.313 1.680 1.00 0.00 C ATOM 621 SG CYS A 75 28.309 12.944 2.793 1.00 0.00 S ATOM 0 H CYS A 75 30.828 13.802 1.420 1.00 0.00 H new ATOM 0 HA CYS A 75 28.924 15.974 0.755 1.00 0.00 H new ATOM 0 HB2 CYS A 75 27.133 14.939 2.121 1.00 0.00 H new ATOM 0 HB3 CYS A 75 27.512 13.928 0.741 1.00 0.00 H new ATOM 0 HG CYS A 75 27.239 12.241 3.018 1.00 0.00 H new ATOM 627 N ALA A 76 29.215 16.823 3.168 1.00 0.00 N ATOM 628 CA ALA A 76 29.695 17.407 4.453 1.00 0.00 C ATOM 629 C ALA A 76 28.493 17.729 5.344 1.00 0.00 C ATOM 630 O ALA A 76 27.380 17.866 4.876 1.00 0.00 O ATOM 631 CB ALA A 76 30.478 18.691 4.170 1.00 0.00 C ATOM 0 H ALA A 76 28.504 17.370 2.682 1.00 0.00 H new ATOM 0 HA ALA A 76 30.343 16.691 4.959 1.00 0.00 H new ATOM 0 HB1 ALA A 76 30.829 19.118 5.110 1.00 0.00 H new ATOM 0 HB2 ALA A 76 31.333 18.463 3.533 1.00 0.00 H new ATOM 0 HB3 ALA A 76 29.831 19.408 3.665 1.00 0.00 H new ATOM 637 N PHE A 77 28.707 17.852 6.626 1.00 0.00 N ATOM 638 CA PHE A 77 27.574 18.165 7.541 1.00 0.00 C ATOM 639 C PHE A 77 27.861 19.473 8.282 1.00 0.00 C ATOM 640 O PHE A 77 28.960 19.708 8.743 1.00 0.00 O ATOM 641 CB PHE A 77 27.405 17.031 8.554 1.00 0.00 C ATOM 642 CG PHE A 77 26.937 15.785 7.840 1.00 0.00 C ATOM 643 CD1 PHE A 77 25.575 15.600 7.574 1.00 0.00 C ATOM 644 CD2 PHE A 77 27.865 14.814 7.445 1.00 0.00 C ATOM 645 CE1 PHE A 77 25.141 14.445 6.913 1.00 0.00 C ATOM 646 CE2 PHE A 77 27.432 13.659 6.783 1.00 0.00 C ATOM 647 CZ PHE A 77 26.070 13.474 6.517 1.00 0.00 C ATOM 0 H PHE A 77 29.616 17.749 7.078 1.00 0.00 H new ATOM 0 HA PHE A 77 26.658 18.271 6.959 1.00 0.00 H new ATOM 0 HB2 PHE A 77 28.350 16.839 9.062 1.00 0.00 H new ATOM 0 HB3 PHE A 77 26.684 17.317 9.320 1.00 0.00 H new ATOM 0 HD1 PHE A 77 24.859 16.349 7.879 1.00 0.00 H new ATOM 0 HD2 PHE A 77 28.916 14.956 7.651 1.00 0.00 H new ATOM 0 HE1 PHE A 77 24.090 14.302 6.708 1.00 0.00 H new ATOM 0 HE2 PHE A 77 28.148 12.911 6.478 1.00 0.00 H new ATOM 0 HZ PHE A 77 25.736 12.583 6.007 1.00 0.00 H new ATOM 657 N VAL A 78 26.881 20.327 8.399 1.00 0.00 N ATOM 658 CA VAL A 78 27.100 21.619 9.110 1.00 0.00 C ATOM 659 C VAL A 78 26.062 21.773 10.223 1.00 0.00 C ATOM 660 O VAL A 78 24.889 21.524 10.028 1.00 0.00 O ATOM 661 CB VAL A 78 26.962 22.777 8.121 1.00 0.00 C ATOM 662 CG1 VAL A 78 27.310 24.090 8.823 1.00 0.00 C ATOM 663 CG2 VAL A 78 27.913 22.560 6.942 1.00 0.00 C ATOM 0 H VAL A 78 25.939 20.186 8.034 1.00 0.00 H new ATOM 0 HA VAL A 78 28.100 21.628 9.543 1.00 0.00 H new ATOM 0 HB VAL A 78 25.936 22.821 7.755 1.00 0.00 H new ATOM 0 HG11 VAL A 78 27.212 24.916 8.119 1.00 0.00 H new ATOM 0 HG12 VAL A 78 26.631 24.245 9.661 1.00 0.00 H new ATOM 0 HG13 VAL A 78 28.335 24.046 9.190 1.00 0.00 H new ATOM 0 HG21 VAL A 78 27.814 23.386 6.238 1.00 0.00 H new ATOM 0 HG22 VAL A 78 28.939 22.515 7.306 1.00 0.00 H new ATOM 0 HG23 VAL A 78 27.664 21.624 6.441 1.00 0.00 H new ATOM 673 N THR A 79 26.483 22.186 11.388 1.00 0.00 N ATOM 674 CA THR A 79 25.518 22.356 12.511 1.00 0.00 C ATOM 675 C THR A 79 25.228 23.846 12.713 1.00 0.00 C ATOM 676 O THR A 79 26.129 24.649 12.853 1.00 0.00 O ATOM 677 CB THR A 79 26.119 21.775 13.794 1.00 0.00 C ATOM 678 OG1 THR A 79 26.627 20.474 13.528 1.00 0.00 O ATOM 679 CG2 THR A 79 25.040 21.692 14.874 1.00 0.00 C ATOM 0 H THR A 79 27.452 22.413 11.610 1.00 0.00 H new ATOM 0 HA THR A 79 24.591 21.833 12.275 1.00 0.00 H new ATOM 0 HB THR A 79 26.927 22.419 14.141 1.00 0.00 H new ATOM 0 HG1 THR A 79 27.486 20.547 13.061 1.00 0.00 H new ATOM 0 HG21 THR A 79 25.470 21.278 15.786 1.00 0.00 H new ATOM 0 HG22 THR A 79 24.650 22.690 15.076 1.00 0.00 H new ATOM 0 HG23 THR A 79 24.230 21.049 14.530 1.00 0.00 H new ATOM 687 N TYR A 80 23.977 24.221 12.729 1.00 0.00 N ATOM 688 CA TYR A 80 23.633 25.659 12.923 1.00 0.00 C ATOM 689 C TYR A 80 23.031 25.857 14.316 1.00 0.00 C ATOM 690 O TYR A 80 22.253 25.050 14.786 1.00 0.00 O ATOM 691 CB TYR A 80 22.612 26.089 11.867 1.00 0.00 C ATOM 692 CG TYR A 80 23.327 26.695 10.681 1.00 0.00 C ATOM 693 CD1 TYR A 80 24.386 27.589 10.881 1.00 0.00 C ATOM 694 CD2 TYR A 80 22.927 26.362 9.382 1.00 0.00 C ATOM 695 CE1 TYR A 80 25.045 28.149 9.780 1.00 0.00 C ATOM 696 CE2 TYR A 80 23.587 26.921 8.281 1.00 0.00 C ATOM 697 CZ TYR A 80 24.646 27.815 8.481 1.00 0.00 C ATOM 698 OH TYR A 80 25.296 28.367 7.396 1.00 0.00 O ATOM 0 H TYR A 80 23.180 23.595 12.616 1.00 0.00 H new ATOM 0 HA TYR A 80 24.536 26.262 12.825 1.00 0.00 H new ATOM 0 HB2 TYR A 80 22.022 25.230 11.548 1.00 0.00 H new ATOM 0 HB3 TYR A 80 21.917 26.813 12.293 1.00 0.00 H new ATOM 0 HD1 TYR A 80 24.694 27.846 11.884 1.00 0.00 H new ATOM 0 HD2 TYR A 80 22.109 25.674 9.229 1.00 0.00 H new ATOM 0 HE1 TYR A 80 25.862 28.839 9.933 1.00 0.00 H new ATOM 0 HE2 TYR A 80 23.280 26.663 7.278 1.00 0.00 H new ATOM 0 HH TYR A 80 25.831 29.133 7.690 1.00 0.00 H new ATOM 708 N GLU A 81 23.382 26.925 14.980 1.00 0.00 N ATOM 709 CA GLU A 81 22.825 27.172 16.341 1.00 0.00 C ATOM 710 C GLU A 81 21.304 27.305 16.249 1.00 0.00 C ATOM 711 O GLU A 81 20.592 27.074 17.206 1.00 0.00 O ATOM 712 CB GLU A 81 23.416 28.464 16.908 1.00 0.00 C ATOM 713 CG GLU A 81 23.063 28.579 18.392 1.00 0.00 C ATOM 714 CD GLU A 81 23.536 29.933 18.926 1.00 0.00 C ATOM 715 OE1 GLU A 81 24.126 30.677 18.159 1.00 0.00 O ATOM 716 OE2 GLU A 81 23.301 30.203 20.092 1.00 0.00 O ATOM 0 H GLU A 81 24.029 27.636 14.640 1.00 0.00 H new ATOM 0 HA GLU A 81 23.080 26.339 16.996 1.00 0.00 H new ATOM 0 HB2 GLU A 81 24.498 28.468 16.779 1.00 0.00 H new ATOM 0 HB3 GLU A 81 23.027 29.324 16.363 1.00 0.00 H new ATOM 0 HG2 GLU A 81 21.986 28.478 18.529 1.00 0.00 H new ATOM 0 HG3 GLU A 81 23.533 27.771 18.952 1.00 0.00 H new ATOM 723 N LYS A 82 20.801 27.676 15.105 1.00 0.00 N ATOM 724 CA LYS A 82 19.327 27.823 14.950 1.00 0.00 C ATOM 725 C LYS A 82 18.886 27.155 13.646 1.00 0.00 C ATOM 726 O LYS A 82 19.589 27.179 12.655 1.00 0.00 O ATOM 727 CB LYS A 82 18.963 29.309 14.910 1.00 0.00 C ATOM 728 CG LYS A 82 19.309 29.954 16.253 1.00 0.00 C ATOM 729 CD LYS A 82 18.799 31.396 16.273 1.00 0.00 C ATOM 730 CE LYS A 82 19.308 32.102 17.532 1.00 0.00 C ATOM 731 NZ LYS A 82 18.332 31.906 18.642 1.00 0.00 N ATOM 0 H LYS A 82 21.348 27.884 14.269 1.00 0.00 H new ATOM 0 HA LYS A 82 18.823 27.349 15.792 1.00 0.00 H new ATOM 0 HB2 LYS A 82 19.505 29.806 14.105 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.900 29.429 14.700 1.00 0.00 H new ATOM 0 HG2 LYS A 82 18.859 29.387 17.068 1.00 0.00 H new ATOM 0 HG3 LYS A 82 20.388 29.936 16.410 1.00 0.00 H new ATOM 0 HD2 LYS A 82 19.140 31.926 15.384 1.00 0.00 H new ATOM 0 HD3 LYS A 82 17.709 31.408 16.253 1.00 0.00 H new ATOM 0 HE2 LYS A 82 20.282 31.704 17.816 1.00 0.00 H new ATOM 0 HE3 LYS A 82 19.443 33.166 17.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 18.678 32.386 19.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.411 32.306 18.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 18.225 30.890 18.835 1.00 0.00 H new ATOM 745 N MET A 83 17.726 26.557 13.637 1.00 0.00 N ATOM 746 CA MET A 83 17.244 25.887 12.396 1.00 0.00 C ATOM 747 C MET A 83 17.006 26.936 11.307 1.00 0.00 C ATOM 748 O MET A 83 16.919 26.621 10.137 1.00 0.00 O ATOM 749 CB MET A 83 15.935 25.150 12.688 1.00 0.00 C ATOM 750 CG MET A 83 16.194 24.032 13.701 1.00 0.00 C ATOM 751 SD MET A 83 14.700 23.027 13.884 1.00 0.00 S ATOM 752 CE MET A 83 15.171 22.199 15.423 1.00 0.00 C ATOM 0 H MET A 83 17.092 26.503 14.434 1.00 0.00 H new ATOM 0 HA MET A 83 17.995 25.174 12.055 1.00 0.00 H new ATOM 0 HB2 MET A 83 15.193 25.846 13.080 1.00 0.00 H new ATOM 0 HB3 MET A 83 15.526 24.734 11.767 1.00 0.00 H new ATOM 0 HG2 MET A 83 17.025 23.410 13.368 1.00 0.00 H new ATOM 0 HG3 MET A 83 16.479 24.457 14.663 1.00 0.00 H new ATOM 0 HE1 MET A 83 14.377 21.517 15.727 1.00 0.00 H new ATOM 0 HE2 MET A 83 16.092 21.637 15.267 1.00 0.00 H new ATOM 0 HE3 MET A 83 15.328 22.944 16.203 1.00 0.00 H new ATOM 762 N GLU A 84 16.900 28.181 11.682 1.00 0.00 N ATOM 763 CA GLU A 84 16.666 29.248 10.667 1.00 0.00 C ATOM 764 C GLU A 84 17.927 29.430 9.818 1.00 0.00 C ATOM 765 O GLU A 84 17.855 29.703 8.636 1.00 0.00 O ATOM 766 CB GLU A 84 16.333 30.562 11.375 1.00 0.00 C ATOM 767 CG GLU A 84 15.012 30.414 12.133 1.00 0.00 C ATOM 768 CD GLU A 84 14.651 31.743 12.798 1.00 0.00 C ATOM 769 OE1 GLU A 84 15.484 32.634 12.787 1.00 0.00 O ATOM 770 OE2 GLU A 84 13.547 31.848 13.307 1.00 0.00 O ATOM 0 H GLU A 84 16.965 28.506 12.647 1.00 0.00 H new ATOM 0 HA GLU A 84 15.834 28.962 10.024 1.00 0.00 H new ATOM 0 HB2 GLU A 84 17.133 30.828 12.066 1.00 0.00 H new ATOM 0 HB3 GLU A 84 16.258 31.370 10.648 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.220 30.111 11.448 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.099 29.631 12.886 1.00 0.00 H new ATOM 777 N SER A 85 19.080 29.281 10.409 1.00 0.00 N ATOM 778 CA SER A 85 20.342 29.447 9.635 1.00 0.00 C ATOM 779 C SER A 85 20.459 28.323 8.603 1.00 0.00 C ATOM 780 O SER A 85 21.034 28.494 7.546 1.00 0.00 O ATOM 781 CB SER A 85 21.537 29.389 10.588 1.00 0.00 C ATOM 782 OG SER A 85 21.350 30.325 11.640 1.00 0.00 O ATOM 0 H SER A 85 19.203 29.051 11.395 1.00 0.00 H new ATOM 0 HA SER A 85 20.330 30.410 9.125 1.00 0.00 H new ATOM 0 HB2 SER A 85 21.642 28.384 10.996 1.00 0.00 H new ATOM 0 HB3 SER A 85 22.457 29.612 10.048 1.00 0.00 H new ATOM 0 HG SER A 85 22.115 30.287 12.252 1.00 0.00 H new ATOM 788 N ALA A 86 19.919 27.173 8.901 1.00 0.00 N ATOM 789 CA ALA A 86 20.000 26.039 7.938 1.00 0.00 C ATOM 790 C ALA A 86 18.950 26.224 6.842 1.00 0.00 C ATOM 791 O ALA A 86 19.183 25.924 5.688 1.00 0.00 O ATOM 792 CB ALA A 86 19.741 24.725 8.676 1.00 0.00 C ATOM 0 H ALA A 86 19.425 26.970 9.770 1.00 0.00 H new ATOM 0 HA ALA A 86 20.993 26.014 7.489 1.00 0.00 H new ATOM 0 HB1 ALA A 86 19.800 23.895 7.972 1.00 0.00 H new ATOM 0 HB2 ALA A 86 20.490 24.593 9.457 1.00 0.00 H new ATOM 0 HB3 ALA A 86 18.748 24.750 9.126 1.00 0.00 H new ATOM 798 N ASP A 87 17.794 26.718 7.191 1.00 0.00 N ATOM 799 CA ASP A 87 16.731 26.922 6.167 1.00 0.00 C ATOM 800 C ASP A 87 17.221 27.921 5.118 1.00 0.00 C ATOM 801 O ASP A 87 17.100 27.699 3.930 1.00 0.00 O ATOM 802 CB ASP A 87 15.470 27.467 6.842 1.00 0.00 C ATOM 803 CG ASP A 87 14.315 27.469 5.838 1.00 0.00 C ATOM 804 OD1 ASP A 87 14.503 26.954 4.748 1.00 0.00 O ATOM 805 OD2 ASP A 87 13.263 27.985 6.176 1.00 0.00 O ATOM 0 H ASP A 87 17.540 26.989 8.141 1.00 0.00 H new ATOM 0 HA ASP A 87 16.502 25.971 5.685 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.214 26.855 7.706 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.649 28.478 7.209 1.00 0.00 H new ATOM 810 N GLN A 88 17.778 29.020 5.549 1.00 0.00 N ATOM 811 CA GLN A 88 18.277 30.033 4.577 1.00 0.00 C ATOM 812 C GLN A 88 19.479 29.461 3.822 1.00 0.00 C ATOM 813 O GLN A 88 19.627 29.659 2.633 1.00 0.00 O ATOM 814 CB GLN A 88 18.699 31.296 5.330 1.00 0.00 C ATOM 815 CG GLN A 88 19.076 32.387 4.328 1.00 0.00 C ATOM 816 CD GLN A 88 19.490 33.652 5.082 1.00 0.00 C ATOM 817 OE1 GLN A 88 19.380 33.717 6.290 1.00 0.00 O ATOM 818 NE2 GLN A 88 19.967 34.668 4.416 1.00 0.00 N ATOM 0 H GLN A 88 17.909 29.260 6.532 1.00 0.00 H new ATOM 0 HA GLN A 88 17.487 30.281 3.868 1.00 0.00 H new ATOM 0 HB2 GLN A 88 17.885 31.640 5.969 1.00 0.00 H new ATOM 0 HB3 GLN A 88 19.545 31.078 5.981 1.00 0.00 H new ATOM 0 HG2 GLN A 88 19.893 32.046 3.693 1.00 0.00 H new ATOM 0 HG3 GLN A 88 18.232 32.601 3.673 1.00 0.00 H new ATOM 0 HE21 GLN A 88 20.060 34.615 3.402 1.00 0.00 H new ATOM 0 HE22 GLN A 88 20.247 35.515 4.910 1.00 0.00 H new ATOM 827 N ALA A 89 20.338 28.754 4.503 1.00 0.00 N ATOM 828 CA ALA A 89 21.529 28.171 3.825 1.00 0.00 C ATOM 829 C ALA A 89 21.089 27.015 2.921 1.00 0.00 C ATOM 830 O ALA A 89 21.602 26.837 1.835 1.00 0.00 O ATOM 831 CB ALA A 89 22.510 27.649 4.877 1.00 0.00 C ATOM 0 H ALA A 89 20.266 28.555 5.501 1.00 0.00 H new ATOM 0 HA ALA A 89 22.015 28.939 3.223 1.00 0.00 H new ATOM 0 HB1 ALA A 89 23.382 27.222 4.381 1.00 0.00 H new ATOM 0 HB2 ALA A 89 22.824 28.471 5.521 1.00 0.00 H new ATOM 0 HB3 ALA A 89 22.023 26.882 5.479 1.00 0.00 H new ATOM 837 N VAL A 90 20.147 26.228 3.363 1.00 0.00 N ATOM 838 CA VAL A 90 19.680 25.084 2.528 1.00 0.00 C ATOM 839 C VAL A 90 18.994 25.614 1.268 1.00 0.00 C ATOM 840 O VAL A 90 19.231 25.139 0.174 1.00 0.00 O ATOM 841 CB VAL A 90 18.689 24.237 3.330 1.00 0.00 C ATOM 842 CG1 VAL A 90 18.080 23.169 2.420 1.00 0.00 C ATOM 843 CG2 VAL A 90 19.418 23.562 4.493 1.00 0.00 C ATOM 0 H VAL A 90 19.681 26.327 4.265 1.00 0.00 H new ATOM 0 HA VAL A 90 20.536 24.472 2.244 1.00 0.00 H new ATOM 0 HB VAL A 90 17.897 24.876 3.721 1.00 0.00 H new ATOM 0 HG11 VAL A 90 17.374 22.565 2.990 1.00 0.00 H new ATOM 0 HG12 VAL A 90 17.560 23.650 1.592 1.00 0.00 H new ATOM 0 HG13 VAL A 90 18.872 22.530 2.029 1.00 0.00 H new ATOM 0 HG21 VAL A 90 18.712 22.959 5.064 1.00 0.00 H new ATOM 0 HG22 VAL A 90 20.210 22.922 4.104 1.00 0.00 H new ATOM 0 HG23 VAL A 90 19.852 24.323 5.141 1.00 0.00 H new ATOM 853 N ALA A 91 18.142 26.592 1.410 1.00 0.00 N ATOM 854 CA ALA A 91 17.440 27.148 0.220 1.00 0.00 C ATOM 855 C ALA A 91 18.430 27.937 -0.640 1.00 0.00 C ATOM 856 O ALA A 91 18.336 27.955 -1.851 1.00 0.00 O ATOM 857 CB ALA A 91 16.313 28.076 0.680 1.00 0.00 C ATOM 0 H ALA A 91 17.902 27.030 2.299 1.00 0.00 H new ATOM 0 HA ALA A 91 17.023 26.330 -0.367 1.00 0.00 H new ATOM 0 HB1 ALA A 91 15.799 28.483 -0.191 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.605 27.514 1.290 1.00 0.00 H new ATOM 0 HB3 ALA A 91 16.731 28.892 1.269 1.00 0.00 H new ATOM 863 N GLU A 92 19.376 28.589 -0.025 1.00 0.00 N ATOM 864 CA GLU A 92 20.370 29.377 -0.809 1.00 0.00 C ATOM 865 C GLU A 92 21.477 28.450 -1.314 1.00 0.00 C ATOM 866 O GLU A 92 21.827 28.462 -2.477 1.00 0.00 O ATOM 867 CB GLU A 92 20.980 30.461 0.083 1.00 0.00 C ATOM 868 CG GLU A 92 21.169 31.743 -0.729 1.00 0.00 C ATOM 869 CD GLU A 92 22.199 31.500 -1.834 1.00 0.00 C ATOM 870 OE1 GLU A 92 22.941 30.537 -1.724 1.00 0.00 O ATOM 871 OE2 GLU A 92 22.229 32.280 -2.771 1.00 0.00 O ATOM 0 H GLU A 92 19.505 28.611 0.987 1.00 0.00 H new ATOM 0 HA GLU A 92 19.872 29.843 -1.659 1.00 0.00 H new ATOM 0 HB2 GLU A 92 20.331 30.652 0.938 1.00 0.00 H new ATOM 0 HB3 GLU A 92 21.938 30.124 0.479 1.00 0.00 H new ATOM 0 HG2 GLU A 92 20.219 32.054 -1.164 1.00 0.00 H new ATOM 0 HG3 GLU A 92 21.501 32.552 -0.079 1.00 0.00 H new ATOM 878 N LEU A 93 22.033 27.648 -0.449 1.00 0.00 N ATOM 879 CA LEU A 93 23.119 26.723 -0.881 1.00 0.00 C ATOM 880 C LEU A 93 22.555 25.691 -1.860 1.00 0.00 C ATOM 881 O LEU A 93 23.220 25.272 -2.786 1.00 0.00 O ATOM 882 CB LEU A 93 23.694 26.005 0.340 1.00 0.00 C ATOM 883 CG LEU A 93 24.348 27.028 1.273 1.00 0.00 C ATOM 884 CD1 LEU A 93 24.704 26.352 2.598 1.00 0.00 C ATOM 885 CD2 LEU A 93 25.619 27.573 0.620 1.00 0.00 C ATOM 0 H LEU A 93 21.783 27.593 0.538 1.00 0.00 H new ATOM 0 HA LEU A 93 23.907 27.295 -1.371 1.00 0.00 H new ATOM 0 HB2 LEU A 93 22.903 25.470 0.866 1.00 0.00 H new ATOM 0 HB3 LEU A 93 24.427 25.262 0.026 1.00 0.00 H new ATOM 0 HG LEU A 93 23.655 27.849 1.458 1.00 0.00 H new ATOM 0 HD11 LEU A 93 25.170 27.079 3.264 1.00 0.00 H new ATOM 0 HD12 LEU A 93 23.798 25.963 3.063 1.00 0.00 H new ATOM 0 HD13 LEU A 93 25.398 25.532 2.413 1.00 0.00 H new ATOM 0 HD21 LEU A 93 26.085 28.301 1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 93 26.313 26.753 0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 93 25.365 28.053 -0.325 1.00 0.00 H new ATOM 897 N ASN A 94 21.333 25.278 -1.662 1.00 0.00 N ATOM 898 CA ASN A 94 20.730 24.273 -2.583 1.00 0.00 C ATOM 899 C ASN A 94 20.437 24.930 -3.933 1.00 0.00 C ATOM 900 O ASN A 94 19.840 25.985 -4.005 1.00 0.00 O ATOM 901 CB ASN A 94 19.428 23.746 -1.979 1.00 0.00 C ATOM 902 CG ASN A 94 18.906 22.584 -2.829 1.00 0.00 C ATOM 903 OD1 ASN A 94 19.538 22.184 -3.786 1.00 0.00 O ATOM 904 ND2 ASN A 94 17.769 22.024 -2.517 1.00 0.00 N ATOM 0 H ASN A 94 20.727 25.592 -0.904 1.00 0.00 H new ATOM 0 HA ASN A 94 21.426 23.446 -2.725 1.00 0.00 H new ATOM 0 HB2 ASN A 94 19.598 23.414 -0.955 1.00 0.00 H new ATOM 0 HB3 ASN A 94 18.685 24.543 -1.937 1.00 0.00 H new ATOM 0 HD21 ASN A 94 17.411 21.250 -3.077 1.00 0.00 H new ATOM 0 HD22 ASN A 94 17.239 22.360 -1.713 1.00 0.00 H new ATOM 911 N GLY A 95 20.853 24.314 -5.006 1.00 0.00 N ATOM 912 CA GLY A 95 20.597 24.904 -6.349 1.00 0.00 C ATOM 913 C GLY A 95 21.726 25.873 -6.705 1.00 0.00 C ATOM 914 O GLY A 95 21.525 26.845 -7.406 1.00 0.00 O ATOM 0 H GLY A 95 21.359 23.428 -5.010 1.00 0.00 H new ATOM 0 HA2 GLY A 95 20.531 24.115 -7.098 1.00 0.00 H new ATOM 0 HA3 GLY A 95 19.641 25.427 -6.352 1.00 0.00 H new ATOM 918 N THR A 96 22.913 25.618 -6.226 1.00 0.00 N ATOM 919 CA THR A 96 24.052 26.527 -6.538 1.00 0.00 C ATOM 920 C THR A 96 25.172 25.731 -7.210 1.00 0.00 C ATOM 921 O THR A 96 25.366 24.563 -6.939 1.00 0.00 O ATOM 922 CB THR A 96 24.577 27.149 -5.241 1.00 0.00 C ATOM 923 OG1 THR A 96 25.242 26.154 -4.476 1.00 0.00 O ATOM 924 CG2 THR A 96 23.408 27.720 -4.437 1.00 0.00 C ATOM 0 H THR A 96 23.143 24.821 -5.633 1.00 0.00 H new ATOM 0 HA THR A 96 23.714 27.316 -7.210 1.00 0.00 H new ATOM 0 HB THR A 96 25.276 27.951 -5.479 1.00 0.00 H new ATOM 0 HG1 THR A 96 24.616 25.764 -3.831 1.00 0.00 H new ATOM 0 HG21 THR A 96 23.783 28.162 -3.514 1.00 0.00 H new ATOM 0 HG22 THR A 96 22.900 28.484 -5.026 1.00 0.00 H new ATOM 0 HG23 THR A 96 22.706 26.921 -4.197 1.00 0.00 H new ATOM 932 N GLN A 97 25.909 26.355 -8.088 1.00 0.00 N ATOM 933 CA GLN A 97 27.016 25.635 -8.779 1.00 0.00 C ATOM 934 C GLN A 97 28.348 26.311 -8.448 1.00 0.00 C ATOM 935 O GLN A 97 28.432 27.518 -8.336 1.00 0.00 O ATOM 936 CB GLN A 97 26.784 25.675 -10.291 1.00 0.00 C ATOM 937 CG GLN A 97 27.826 24.802 -10.992 1.00 0.00 C ATOM 938 CD GLN A 97 27.684 24.956 -12.507 1.00 0.00 C ATOM 939 OE1 GLN A 97 26.737 25.550 -12.983 1.00 0.00 O ATOM 940 NE2 GLN A 97 28.592 24.440 -13.291 1.00 0.00 N ATOM 0 H GLN A 97 25.792 27.332 -8.357 1.00 0.00 H new ATOM 0 HA GLN A 97 27.042 24.598 -8.443 1.00 0.00 H new ATOM 0 HB2 GLN A 97 25.780 25.320 -10.525 1.00 0.00 H new ATOM 0 HB3 GLN A 97 26.851 26.701 -10.653 1.00 0.00 H new ATOM 0 HG2 GLN A 97 28.829 25.092 -10.679 1.00 0.00 H new ATOM 0 HG3 GLN A 97 27.692 23.758 -10.708 1.00 0.00 H new ATOM 0 HE21 GLN A 97 29.387 23.941 -12.891 1.00 0.00 H new ATOM 0 HE22 GLN A 97 28.506 24.536 -14.303 1.00 0.00 H new ATOM 949 N VAL A 98 29.392 25.542 -8.294 1.00 0.00 N ATOM 950 CA VAL A 98 30.718 26.142 -7.971 1.00 0.00 C ATOM 951 C VAL A 98 31.486 26.405 -9.269 1.00 0.00 C ATOM 952 O VAL A 98 30.903 26.678 -10.300 1.00 0.00 O ATOM 953 CB VAL A 98 31.519 25.178 -7.090 1.00 0.00 C ATOM 954 CG1 VAL A 98 32.462 25.976 -6.187 1.00 0.00 C ATOM 955 CG2 VAL A 98 30.561 24.357 -6.223 1.00 0.00 C ATOM 0 H VAL A 98 29.384 24.525 -8.378 1.00 0.00 H new ATOM 0 HA VAL A 98 30.571 27.081 -7.437 1.00 0.00 H new ATOM 0 HB VAL A 98 32.100 24.508 -7.724 1.00 0.00 H new ATOM 0 HG11 VAL A 98 33.032 25.290 -5.560 1.00 0.00 H new ATOM 0 HG12 VAL A 98 33.147 26.560 -6.802 1.00 0.00 H new ATOM 0 HG13 VAL A 98 31.880 26.647 -5.555 1.00 0.00 H new ATOM 0 HG21 VAL A 98 31.133 23.672 -5.597 1.00 0.00 H new ATOM 0 HG22 VAL A 98 29.979 25.027 -5.590 1.00 0.00 H new ATOM 0 HG23 VAL A 98 29.888 23.787 -6.864 1.00 0.00 H new ATOM 965 N GLU A 99 32.787 26.324 -9.228 1.00 0.00 N ATOM 966 CA GLU A 99 33.588 26.568 -10.461 1.00 0.00 C ATOM 967 C GLU A 99 33.146 25.595 -11.556 1.00 0.00 C ATOM 968 O GLU A 99 33.090 25.938 -12.720 1.00 0.00 O ATOM 969 CB GLU A 99 35.072 26.353 -10.157 1.00 0.00 C ATOM 970 CG GLU A 99 35.541 27.396 -9.141 1.00 0.00 C ATOM 971 CD GLU A 99 37.042 27.231 -8.897 1.00 0.00 C ATOM 972 OE1 GLU A 99 37.591 26.244 -9.356 1.00 0.00 O ATOM 973 OE2 GLU A 99 37.618 28.096 -8.256 1.00 0.00 O ATOM 0 H GLU A 99 33.330 26.099 -8.394 1.00 0.00 H new ATOM 0 HA GLU A 99 33.431 27.592 -10.799 1.00 0.00 H new ATOM 0 HB2 GLU A 99 35.232 25.349 -9.764 1.00 0.00 H new ATOM 0 HB3 GLU A 99 35.657 26.433 -11.073 1.00 0.00 H new ATOM 0 HG2 GLU A 99 35.330 28.400 -9.510 1.00 0.00 H new ATOM 0 HG3 GLU A 99 34.995 27.279 -8.205 1.00 0.00 H new ATOM 980 N SER A 100 32.830 24.382 -11.191 1.00 0.00 N ATOM 981 CA SER A 100 32.391 23.387 -12.209 1.00 0.00 C ATOM 982 C SER A 100 31.753 22.188 -11.503 1.00 0.00 C ATOM 983 O SER A 100 31.818 21.071 -11.976 1.00 0.00 O ATOM 984 CB SER A 100 33.601 22.918 -13.020 1.00 0.00 C ATOM 985 OG SER A 100 33.983 23.936 -13.931 1.00 0.00 O ATOM 0 H SER A 100 32.857 24.038 -10.231 1.00 0.00 H new ATOM 0 HA SER A 100 31.663 23.846 -12.878 1.00 0.00 H new ATOM 0 HB2 SER A 100 34.430 22.682 -12.353 1.00 0.00 H new ATOM 0 HB3 SER A 100 33.357 22.004 -13.561 1.00 0.00 H new ATOM 0 HG SER A 100 33.452 24.742 -13.762 1.00 0.00 H new ATOM 991 N VAL A 101 31.140 22.412 -10.372 1.00 0.00 N ATOM 992 CA VAL A 101 30.501 21.287 -9.635 1.00 0.00 C ATOM 993 C VAL A 101 29.139 21.736 -9.100 1.00 0.00 C ATOM 994 O VAL A 101 28.809 22.905 -9.117 1.00 0.00 O ATOM 995 CB VAL A 101 31.397 20.874 -8.464 1.00 0.00 C ATOM 996 CG1 VAL A 101 30.793 19.656 -7.761 1.00 0.00 C ATOM 997 CG2 VAL A 101 32.791 20.523 -8.988 1.00 0.00 C ATOM 0 H VAL A 101 31.055 23.326 -9.927 1.00 0.00 H new ATOM 0 HA VAL A 101 30.366 20.440 -10.308 1.00 0.00 H new ATOM 0 HB VAL A 101 31.472 21.699 -7.756 1.00 0.00 H new ATOM 0 HG11 VAL A 101 31.432 19.363 -6.928 1.00 0.00 H new ATOM 0 HG12 VAL A 101 29.801 19.907 -7.387 1.00 0.00 H new ATOM 0 HG13 VAL A 101 30.716 18.829 -8.467 1.00 0.00 H new ATOM 0 HG21 VAL A 101 33.429 20.229 -8.155 1.00 0.00 H new ATOM 0 HG22 VAL A 101 32.716 19.698 -9.697 1.00 0.00 H new ATOM 0 HG23 VAL A 101 33.222 21.392 -9.486 1.00 0.00 H new ATOM 1007 N GLN A 102 28.345 20.816 -8.622 1.00 0.00 N ATOM 1008 CA GLN A 102 27.008 21.191 -8.083 1.00 0.00 C ATOM 1009 C GLN A 102 26.961 20.863 -6.591 1.00 0.00 C ATOM 1010 O GLN A 102 27.551 19.900 -6.141 1.00 0.00 O ATOM 1011 CB GLN A 102 25.920 20.401 -8.814 1.00 0.00 C ATOM 1012 CG GLN A 102 25.945 20.756 -10.303 1.00 0.00 C ATOM 1013 CD GLN A 102 24.900 19.920 -11.045 1.00 0.00 C ATOM 1014 OE1 GLN A 102 24.392 18.952 -10.515 1.00 0.00 O ATOM 1015 NE2 GLN A 102 24.556 20.256 -12.257 1.00 0.00 N ATOM 0 H GLN A 102 28.565 19.821 -8.582 1.00 0.00 H new ATOM 0 HA GLN A 102 26.839 22.258 -8.231 1.00 0.00 H new ATOM 0 HB2 GLN A 102 26.081 19.331 -8.681 1.00 0.00 H new ATOM 0 HB3 GLN A 102 24.942 20.631 -8.391 1.00 0.00 H new ATOM 0 HG2 GLN A 102 25.739 21.818 -10.438 1.00 0.00 H new ATOM 0 HG3 GLN A 102 26.936 20.568 -10.716 1.00 0.00 H new ATOM 0 HE21 GLN A 102 24.983 21.069 -12.701 1.00 0.00 H new ATOM 0 HE22 GLN A 102 23.860 19.706 -12.761 1.00 0.00 H new ATOM 1024 N LEU A 103 26.272 21.655 -5.817 1.00 0.00 N ATOM 1025 CA LEU A 103 26.203 21.382 -4.356 1.00 0.00 C ATOM 1026 C LEU A 103 24.745 21.205 -3.929 1.00 0.00 C ATOM 1027 O LEU A 103 23.879 21.968 -4.309 1.00 0.00 O ATOM 1028 CB LEU A 103 26.820 22.553 -3.589 1.00 0.00 C ATOM 1029 CG LEU A 103 27.948 22.033 -2.696 1.00 0.00 C ATOM 1030 CD1 LEU A 103 29.287 22.567 -3.205 1.00 0.00 C ATOM 1031 CD2 LEU A 103 27.721 22.509 -1.260 1.00 0.00 C ATOM 0 H LEU A 103 25.756 22.476 -6.132 1.00 0.00 H new ATOM 0 HA LEU A 103 26.755 20.468 -4.135 1.00 0.00 H new ATOM 0 HB2 LEU A 103 27.206 23.297 -4.286 1.00 0.00 H new ATOM 0 HB3 LEU A 103 26.060 23.047 -2.984 1.00 0.00 H new ATOM 0 HG LEU A 103 27.959 20.943 -2.720 1.00 0.00 H new ATOM 0 HD11 LEU A 103 30.092 22.197 -2.569 1.00 0.00 H new ATOM 0 HD12 LEU A 103 29.448 22.229 -4.228 1.00 0.00 H new ATOM 0 HD13 LEU A 103 29.277 23.657 -3.181 1.00 0.00 H new ATOM 0 HD21 LEU A 103 28.524 22.139 -0.623 1.00 0.00 H new ATOM 0 HD22 LEU A 103 27.711 23.599 -1.235 1.00 0.00 H new ATOM 0 HD23 LEU A 103 26.766 22.129 -0.897 1.00 0.00 H new ATOM 1043 N LYS A 104 24.469 20.205 -3.138 1.00 0.00 N ATOM 1044 CA LYS A 104 23.070 19.977 -2.679 1.00 0.00 C ATOM 1045 C LYS A 104 23.013 20.101 -1.155 1.00 0.00 C ATOM 1046 O LYS A 104 23.758 19.457 -0.442 1.00 0.00 O ATOM 1047 CB LYS A 104 22.618 18.576 -3.094 1.00 0.00 C ATOM 1048 CG LYS A 104 22.581 18.484 -4.620 1.00 0.00 C ATOM 1049 CD LYS A 104 22.038 17.114 -5.035 1.00 0.00 C ATOM 1050 CE LYS A 104 22.110 16.976 -6.557 1.00 0.00 C ATOM 1051 NZ LYS A 104 20.986 16.121 -7.032 1.00 0.00 N ATOM 0 H LYS A 104 25.154 19.534 -2.789 1.00 0.00 H new ATOM 0 HA LYS A 104 22.411 20.718 -3.132 1.00 0.00 H new ATOM 0 HB2 LYS A 104 23.300 17.828 -2.690 1.00 0.00 H new ATOM 0 HB3 LYS A 104 21.631 18.364 -2.682 1.00 0.00 H new ATOM 0 HG2 LYS A 104 21.952 19.275 -5.028 1.00 0.00 H new ATOM 0 HG3 LYS A 104 23.581 18.630 -5.028 1.00 0.00 H new ATOM 0 HD2 LYS A 104 22.617 16.322 -4.560 1.00 0.00 H new ATOM 0 HD3 LYS A 104 21.008 17.002 -4.697 1.00 0.00 H new ATOM 0 HE2 LYS A 104 22.056 17.959 -7.025 1.00 0.00 H new ATOM 0 HE3 LYS A 104 23.064 16.536 -6.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 21.035 16.027 -8.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 21.057 15.180 -6.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 20.081 16.559 -6.766 1.00 0.00 H new ATOM 1065 N VAL A 105 22.139 20.926 -0.648 1.00 0.00 N ATOM 1066 CA VAL A 105 22.042 21.090 0.830 1.00 0.00 C ATOM 1067 C VAL A 105 20.727 20.487 1.330 1.00 0.00 C ATOM 1068 O VAL A 105 19.702 20.588 0.686 1.00 0.00 O ATOM 1069 CB VAL A 105 22.086 22.578 1.181 1.00 0.00 C ATOM 1070 CG1 VAL A 105 22.150 22.741 2.701 1.00 0.00 C ATOM 1071 CG2 VAL A 105 23.324 23.215 0.547 1.00 0.00 C ATOM 0 H VAL A 105 21.489 21.493 -1.192 1.00 0.00 H new ATOM 0 HA VAL A 105 22.878 20.578 1.306 1.00 0.00 H new ATOM 0 HB VAL A 105 21.190 23.068 0.800 1.00 0.00 H new ATOM 0 HG11 VAL A 105 22.181 23.801 2.952 1.00 0.00 H new ATOM 0 HG12 VAL A 105 21.268 22.287 3.153 1.00 0.00 H new ATOM 0 HG13 VAL A 105 23.046 22.251 3.082 1.00 0.00 H new ATOM 0 HG21 VAL A 105 23.356 24.276 0.797 1.00 0.00 H new ATOM 0 HG22 VAL A 105 24.220 22.725 0.928 1.00 0.00 H new ATOM 0 HG23 VAL A 105 23.279 23.099 -0.536 1.00 0.00 H new