USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 338 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 44 HIS : no HD1:sc= -0.472 X(o=-9.5,f=-9.2) USER MOD Set 1.2: A 46 ASN : amide:sc= -7.68! C(o=-9.5!,f=-17!) USER MOD Set 1.3: A 47 CYS SG : rot -57:sc= 0.55 USER MOD Set 1.4: A 48 THR OG1 : rot -160:sc= -1.86 USER MOD Single : A 8 GLN : amide:sc=-0.00324 X(o=-0.0032,f=0) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -76:sc= 1.15 USER MOD Single : A 35 GLN : amide:sc=-0.00276 X(o=-0.0028,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 83:sc= 0.0753 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.0421 X(o=-0.042,f=-0.41) USER MOD Single : A 40 SER OG : rot 180:sc=-0.00265 USER MOD Single : A 50 LYS NZ :NH3+ -129:sc= -7.24! (180deg=-10.7!) USER MOD ----------------------------------------------------------------- ATOM 85 N VAL A 6 22.665 -17.093 29.151 1.00 0.00 N ATOM 86 CA VAL A 6 23.345 -15.866 29.529 1.00 0.00 C ATOM 87 C VAL A 6 22.855 -14.721 28.641 1.00 0.00 C ATOM 88 O VAL A 6 22.491 -13.657 29.137 1.00 0.00 O ATOM 89 CB VAL A 6 24.861 -16.066 29.463 1.00 0.00 C ATOM 90 CG1 VAL A 6 25.296 -16.506 28.064 1.00 0.00 C ATOM 91 CG2 VAL A 6 25.600 -14.798 29.895 1.00 0.00 C ATOM 0 HA VAL A 6 23.109 -15.602 30.560 1.00 0.00 H new ATOM 0 HB VAL A 6 25.125 -16.861 30.160 1.00 0.00 H new ATOM 0 HG11 VAL A 6 26.377 -16.641 28.045 1.00 0.00 H new ATOM 0 HG12 VAL A 6 24.808 -17.447 27.811 1.00 0.00 H new ATOM 0 HG13 VAL A 6 25.013 -15.744 27.338 1.00 0.00 H new ATOM 0 HG21 VAL A 6 26.675 -14.967 29.839 1.00 0.00 H new ATOM 0 HG22 VAL A 6 25.327 -13.975 29.235 1.00 0.00 H new ATOM 0 HG23 VAL A 6 25.325 -14.548 30.920 1.00 0.00 H new ATOM 101 N ILE A 7 22.861 -14.980 27.341 1.00 0.00 N ATOM 102 CA ILE A 7 22.421 -13.984 26.378 1.00 0.00 C ATOM 103 C ILE A 7 20.900 -13.844 26.455 1.00 0.00 C ATOM 104 O ILE A 7 20.351 -12.799 26.108 1.00 0.00 O ATOM 105 CB ILE A 7 22.938 -14.327 24.979 1.00 0.00 C ATOM 106 CG1 ILE A 7 24.467 -14.301 24.938 1.00 0.00 C ATOM 107 CG2 ILE A 7 22.320 -13.406 23.925 1.00 0.00 C ATOM 108 CD1 ILE A 7 25.015 -15.516 24.185 1.00 0.00 C ATOM 0 H ILE A 7 23.163 -15.864 26.932 1.00 0.00 H new ATOM 0 HA ILE A 7 22.843 -13.008 26.618 1.00 0.00 H new ATOM 0 HB ILE A 7 22.627 -15.344 24.740 1.00 0.00 H new ATOM 0 HG12 ILE A 7 24.806 -13.385 24.454 1.00 0.00 H new ATOM 0 HG13 ILE A 7 24.862 -14.290 25.954 1.00 0.00 H new ATOM 0 HG21 ILE A 7 22.704 -13.671 22.940 1.00 0.00 H new ATOM 0 HG22 ILE A 7 21.236 -13.519 23.934 1.00 0.00 H new ATOM 0 HG23 ILE A 7 22.579 -12.371 24.149 1.00 0.00 H new ATOM 0 HD11 ILE A 7 26.104 -15.474 24.170 1.00 0.00 H new ATOM 0 HD12 ILE A 7 24.694 -16.429 24.686 1.00 0.00 H new ATOM 0 HD13 ILE A 7 24.638 -15.511 23.162 1.00 0.00 H new ATOM 119 N GLN A 8 20.261 -14.911 26.911 1.00 0.00 N ATOM 120 CA GLN A 8 18.814 -14.920 27.037 1.00 0.00 C ATOM 121 C GLN A 8 18.374 -13.992 28.172 1.00 0.00 C ATOM 122 O GLN A 8 17.413 -13.238 28.025 1.00 0.00 O ATOM 123 CB GLN A 8 18.292 -16.342 27.259 1.00 0.00 C ATOM 124 CG GLN A 8 17.156 -16.666 26.286 1.00 0.00 C ATOM 125 CD GLN A 8 16.935 -18.176 26.185 1.00 0.00 C ATOM 126 OE1 GLN A 8 16.660 -18.857 27.159 1.00 0.00 O ATOM 127 NE2 GLN A 8 17.072 -18.660 24.954 1.00 0.00 N ATOM 0 H GLN A 8 20.719 -15.776 27.198 1.00 0.00 H new ATOM 0 HA GLN A 8 18.385 -14.551 26.105 1.00 0.00 H new ATOM 0 HB2 GLN A 8 19.104 -17.057 27.126 1.00 0.00 H new ATOM 0 HB3 GLN A 8 17.939 -16.448 28.285 1.00 0.00 H new ATOM 0 HG2 GLN A 8 16.238 -16.182 26.619 1.00 0.00 H new ATOM 0 HG3 GLN A 8 17.390 -16.262 25.301 1.00 0.00 H new ATOM 0 HE21 GLN A 8 17.303 -18.034 24.183 1.00 0.00 H new ATOM 0 HE22 GLN A 8 16.946 -19.657 24.781 1.00 0.00 H new ATOM 134 N ALA A 9 19.099 -14.078 29.277 1.00 0.00 N ATOM 135 CA ALA A 9 18.796 -13.255 30.437 1.00 0.00 C ATOM 136 C ALA A 9 19.108 -11.791 30.113 1.00 0.00 C ATOM 137 O ALA A 9 18.294 -10.907 30.376 1.00 0.00 O ATOM 138 CB ALA A 9 19.582 -13.765 31.646 1.00 0.00 C ATOM 0 H ALA A 9 19.895 -14.704 29.395 1.00 0.00 H new ATOM 0 HA ALA A 9 17.737 -13.320 30.687 1.00 0.00 H new ATOM 0 HB1 ALA A 9 19.354 -13.148 32.515 1.00 0.00 H new ATOM 0 HB2 ALA A 9 19.303 -14.798 31.852 1.00 0.00 H new ATOM 0 HB3 ALA A 9 20.650 -13.713 31.434 1.00 0.00 H new ATOM 144 N ILE A 10 20.288 -11.582 29.548 1.00 0.00 N ATOM 145 CA ILE A 10 20.717 -10.243 29.186 1.00 0.00 C ATOM 146 C ILE A 10 19.659 -9.597 28.289 1.00 0.00 C ATOM 147 O ILE A 10 19.546 -8.373 28.239 1.00 0.00 O ATOM 148 CB ILE A 10 22.114 -10.278 28.562 1.00 0.00 C ATOM 149 CG1 ILE A 10 23.166 -10.691 29.593 1.00 0.00 C ATOM 150 CG2 ILE A 10 22.453 -8.940 27.902 1.00 0.00 C ATOM 151 CD1 ILE A 10 23.348 -9.604 30.656 1.00 0.00 C ATOM 0 H ILE A 10 20.960 -12.318 29.332 1.00 0.00 H new ATOM 0 HA ILE A 10 20.805 -9.619 30.075 1.00 0.00 H new ATOM 0 HB ILE A 10 22.118 -11.035 27.778 1.00 0.00 H new ATOM 0 HG12 ILE A 10 22.867 -11.624 30.070 1.00 0.00 H new ATOM 0 HG13 ILE A 10 24.116 -10.879 29.093 1.00 0.00 H new ATOM 0 HG21 ILE A 10 23.451 -8.992 27.466 1.00 0.00 H new ATOM 0 HG22 ILE A 10 21.726 -8.726 27.119 1.00 0.00 H new ATOM 0 HG23 ILE A 10 22.424 -8.148 28.650 1.00 0.00 H new ATOM 0 HD11 ILE A 10 24.101 -9.922 31.377 1.00 0.00 H new ATOM 0 HD12 ILE A 10 23.671 -8.679 30.179 1.00 0.00 H new ATOM 0 HD13 ILE A 10 22.402 -9.436 31.170 1.00 0.00 H new ATOM 162 N GLN A 11 18.910 -10.449 27.604 1.00 0.00 N ATOM 163 CA GLN A 11 17.866 -9.977 26.712 1.00 0.00 C ATOM 164 C GLN A 11 16.639 -9.541 27.515 1.00 0.00 C ATOM 165 O GLN A 11 15.779 -8.824 27.004 1.00 0.00 O ATOM 166 CB GLN A 11 17.496 -11.049 25.685 1.00 0.00 C ATOM 167 CG GLN A 11 18.485 -11.055 24.518 1.00 0.00 C ATOM 168 CD GLN A 11 18.171 -12.188 23.538 1.00 0.00 C ATOM 169 OE1 GLN A 11 17.359 -13.061 23.799 1.00 0.00 O ATOM 170 NE2 GLN A 11 18.855 -12.123 22.400 1.00 0.00 N ATOM 0 H GLN A 11 19.006 -11.463 27.649 1.00 0.00 H new ATOM 0 HA GLN A 11 18.245 -9.113 26.166 1.00 0.00 H new ATOM 0 HB2 GLN A 11 17.487 -12.028 26.164 1.00 0.00 H new ATOM 0 HB3 GLN A 11 16.488 -10.867 25.311 1.00 0.00 H new ATOM 0 HG2 GLN A 11 18.445 -10.098 23.998 1.00 0.00 H new ATOM 0 HG3 GLN A 11 19.500 -11.169 24.898 1.00 0.00 H new ATOM 0 HE21 GLN A 11 19.519 -11.364 22.247 1.00 0.00 H new ATOM 0 HE22 GLN A 11 18.715 -12.832 21.680 1.00 0.00 H new ATOM 177 N LYS A 12 16.595 -9.992 28.760 1.00 0.00 N ATOM 178 CA LYS A 12 15.489 -9.658 29.640 1.00 0.00 C ATOM 179 C LYS A 12 15.718 -8.268 30.237 1.00 0.00 C ATOM 180 O LYS A 12 14.785 -7.474 30.348 1.00 0.00 O ATOM 181 CB LYS A 12 15.288 -10.752 30.690 1.00 0.00 C ATOM 182 CG LYS A 12 13.982 -11.512 30.448 1.00 0.00 C ATOM 183 CD LYS A 12 14.157 -13.006 30.727 1.00 0.00 C ATOM 184 CE LYS A 12 12.859 -13.770 30.458 1.00 0.00 C ATOM 185 NZ LYS A 12 13.141 -15.202 30.212 1.00 0.00 N ATOM 0 H LYS A 12 17.309 -10.587 29.180 1.00 0.00 H new ATOM 0 HA LYS A 12 14.557 -9.614 29.077 1.00 0.00 H new ATOM 0 HB2 LYS A 12 16.128 -11.447 30.662 1.00 0.00 H new ATOM 0 HB3 LYS A 12 15.275 -10.308 31.685 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.198 -11.108 31.089 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.658 -11.366 29.418 1.00 0.00 H new ATOM 0 HD2 LYS A 12 14.955 -13.405 30.101 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.461 -13.153 31.763 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.186 -13.667 31.310 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.349 -13.340 29.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.249 -15.705 30.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.765 -15.296 29.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.607 -15.612 31.046 1.00 0.00 H new ATOM 195 N SER A 13 16.966 -8.016 30.605 1.00 0.00 N ATOM 196 CA SER A 13 17.331 -6.736 31.187 1.00 0.00 C ATOM 197 C SER A 13 17.533 -5.697 30.083 1.00 0.00 C ATOM 198 O SER A 13 17.432 -4.496 30.329 1.00 0.00 O ATOM 199 CB SER A 13 18.596 -6.859 32.039 1.00 0.00 C ATOM 200 OG SER A 13 18.750 -5.756 32.929 1.00 0.00 O ATOM 0 H SER A 13 17.737 -8.677 30.511 1.00 0.00 H new ATOM 0 HA SER A 13 16.518 -6.412 31.837 1.00 0.00 H new ATOM 0 HB2 SER A 13 18.558 -7.785 32.613 1.00 0.00 H new ATOM 0 HB3 SER A 13 19.467 -6.923 31.387 1.00 0.00 H new ATOM 0 HG SER A 13 19.568 -5.873 33.456 1.00 0.00 H new ATOM 205 N ASP A 14 17.816 -6.196 28.888 1.00 0.00 N ATOM 206 CA ASP A 14 18.034 -5.327 27.745 1.00 0.00 C ATOM 207 C ASP A 14 16.684 -4.955 27.129 1.00 0.00 C ATOM 208 O ASP A 14 16.518 -3.853 26.609 1.00 0.00 O ATOM 209 CB ASP A 14 18.867 -6.028 26.670 1.00 0.00 C ATOM 210 CG ASP A 14 19.305 -5.136 25.508 1.00 0.00 C ATOM 211 OD1 ASP A 14 19.332 -3.903 25.716 1.00 0.00 O ATOM 212 OD2 ASP A 14 19.603 -5.706 24.436 1.00 0.00 O ATOM 0 H ASP A 14 17.899 -7.193 28.687 1.00 0.00 H new ATOM 0 HA ASP A 14 18.566 -4.441 28.092 1.00 0.00 H new ATOM 0 HB2 ASP A 14 19.756 -6.451 27.139 1.00 0.00 H new ATOM 0 HB3 ASP A 14 18.290 -6.862 26.271 1.00 0.00 H new ATOM 216 N GLU A 15 15.754 -5.896 27.207 1.00 0.00 N ATOM 217 CA GLU A 15 14.424 -5.680 26.664 1.00 0.00 C ATOM 218 C GLU A 15 13.450 -5.295 27.780 1.00 0.00 C ATOM 219 O GLU A 15 12.298 -4.958 27.513 1.00 0.00 O ATOM 220 CB GLU A 15 13.933 -6.917 25.910 1.00 0.00 C ATOM 221 CG GLU A 15 14.852 -7.242 24.731 1.00 0.00 C ATOM 222 CD GLU A 15 14.146 -8.145 23.718 1.00 0.00 C ATOM 223 OE1 GLU A 15 14.026 -9.352 24.019 1.00 0.00 O ATOM 224 OE2 GLU A 15 13.742 -7.608 22.664 1.00 0.00 O ATOM 0 H GLU A 15 15.896 -6.810 27.638 1.00 0.00 H new ATOM 0 HA GLU A 15 14.473 -4.856 25.952 1.00 0.00 H new ATOM 0 HB2 GLU A 15 13.892 -7.769 26.589 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.918 -6.748 25.549 1.00 0.00 H new ATOM 0 HG2 GLU A 15 15.165 -6.318 24.244 1.00 0.00 H new ATOM 0 HG3 GLU A 15 15.755 -7.733 25.094 1.00 0.00 H new ATOM 304 N ALA A 21 10.532 0.104 20.929 1.00 0.00 N ATOM 305 CA ALA A 21 9.505 -0.923 20.930 1.00 0.00 C ATOM 306 C ALA A 21 8.300 -0.434 21.735 1.00 0.00 C ATOM 307 O ALA A 21 7.193 -0.947 21.577 1.00 0.00 O ATOM 308 CB ALA A 21 10.086 -2.225 21.485 1.00 0.00 C ATOM 0 HA ALA A 21 9.163 -1.124 19.915 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.315 -2.996 21.486 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.920 -2.546 20.861 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.437 -2.062 22.504 1.00 0.00 H new ATOM 314 N TYR A 22 8.556 0.554 22.580 1.00 0.00 N ATOM 315 CA TYR A 22 7.506 1.119 23.411 1.00 0.00 C ATOM 316 C TYR A 22 6.537 1.958 22.575 1.00 0.00 C ATOM 317 O TYR A 22 5.364 2.086 22.920 1.00 0.00 O ATOM 318 CB TYR A 22 8.209 2.028 24.420 1.00 0.00 C ATOM 319 CG TYR A 22 7.306 3.107 25.021 1.00 0.00 C ATOM 320 CD1 TYR A 22 6.296 2.755 25.894 1.00 0.00 C ATOM 321 CD2 TYR A 22 7.501 4.433 24.691 1.00 0.00 C ATOM 322 CE1 TYR A 22 5.446 3.769 26.459 1.00 0.00 C ATOM 323 CE2 TYR A 22 6.650 5.448 25.257 1.00 0.00 C ATOM 324 CZ TYR A 22 5.665 5.066 26.112 1.00 0.00 C ATOM 325 OH TYR A 22 4.862 6.025 26.647 1.00 0.00 O ATOM 0 H TYR A 22 9.475 0.978 22.707 1.00 0.00 H new ATOM 0 HA TYR A 22 6.930 0.328 23.892 1.00 0.00 H new ATOM 0 HB2 TYR A 22 8.612 1.415 25.227 1.00 0.00 H new ATOM 0 HB3 TYR A 22 9.056 2.509 23.931 1.00 0.00 H new ATOM 0 HD1 TYR A 22 6.144 1.718 26.153 1.00 0.00 H new ATOM 0 HD2 TYR A 22 8.291 4.709 24.009 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.652 3.507 27.143 1.00 0.00 H new ATOM 0 HE2 TYR A 22 6.791 6.489 25.008 1.00 0.00 H new ATOM 0 HH TYR A 22 5.135 6.904 26.311 1.00 0.00 H new ATOM 334 N LEU A 23 7.065 2.508 21.491 1.00 0.00 N ATOM 335 CA LEU A 23 6.262 3.331 20.603 1.00 0.00 C ATOM 336 C LEU A 23 5.451 2.429 19.672 1.00 0.00 C ATOM 337 O LEU A 23 4.227 2.533 19.612 1.00 0.00 O ATOM 338 CB LEU A 23 7.145 4.341 19.866 1.00 0.00 C ATOM 339 CG LEU A 23 6.531 5.724 19.634 1.00 0.00 C ATOM 340 CD1 LEU A 23 5.283 5.630 18.755 1.00 0.00 C ATOM 341 CD2 LEU A 23 6.244 6.426 20.963 1.00 0.00 C ATOM 0 H LEU A 23 8.039 2.400 21.208 1.00 0.00 H new ATOM 0 HA LEU A 23 5.547 3.923 21.174 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.069 4.465 20.430 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.416 3.919 18.898 1.00 0.00 H new ATOM 0 HG LEU A 23 7.257 6.334 19.097 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.867 6.626 18.606 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.550 5.200 17.789 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.542 4.996 19.242 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.808 7.406 20.770 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.545 5.827 21.547 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.174 6.545 21.520 1.00 0.00 H new ATOM 352 N GLU A 24 6.166 1.562 18.969 1.00 0.00 N ATOM 353 CA GLU A 24 5.528 0.641 18.044 1.00 0.00 C ATOM 354 C GLU A 24 4.486 -0.208 18.775 1.00 0.00 C ATOM 355 O GLU A 24 3.514 -0.660 18.172 1.00 0.00 O ATOM 356 CB GLU A 24 6.564 -0.241 17.345 1.00 0.00 C ATOM 357 CG GLU A 24 6.383 -0.202 15.826 1.00 0.00 C ATOM 358 CD GLU A 24 4.972 -0.641 15.431 1.00 0.00 C ATOM 359 OE1 GLU A 24 4.535 -1.688 15.957 1.00 0.00 O ATOM 360 OE2 GLU A 24 4.362 0.080 14.612 1.00 0.00 O ATOM 0 H GLU A 24 7.181 1.478 19.022 1.00 0.00 H new ATOM 0 HA GLU A 24 5.019 1.223 17.275 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.568 0.096 17.604 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.471 -1.268 17.700 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.570 0.808 15.460 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.117 -0.854 15.352 1.00 0.00 H new ATOM 365 N SER A 25 4.726 -0.401 20.063 1.00 0.00 N ATOM 366 CA SER A 25 3.821 -1.190 20.883 1.00 0.00 C ATOM 367 C SER A 25 2.411 -0.598 20.824 1.00 0.00 C ATOM 368 O SER A 25 1.458 -1.290 20.469 1.00 0.00 O ATOM 369 CB SER A 25 4.308 -1.258 22.332 1.00 0.00 C ATOM 370 OG SER A 25 3.233 -1.443 23.249 1.00 0.00 O ATOM 0 H SER A 25 5.534 -0.025 20.560 1.00 0.00 H new ATOM 0 HA SER A 25 3.799 -2.206 20.488 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.019 -2.077 22.437 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.841 -0.340 22.579 1.00 0.00 H new ATOM 0 HG SER A 25 3.585 -1.483 24.163 1.00 0.00 H new ATOM 375 N GLU A 26 2.324 0.675 21.178 1.00 0.00 N ATOM 376 CA GLU A 26 1.046 1.369 21.170 1.00 0.00 C ATOM 377 C GLU A 26 0.380 1.237 19.799 1.00 0.00 C ATOM 378 O GLU A 26 -0.842 1.325 19.688 1.00 0.00 O ATOM 379 CB GLU A 26 1.218 2.839 21.556 1.00 0.00 C ATOM 380 CG GLU A 26 0.587 3.124 22.921 1.00 0.00 C ATOM 381 CD GLU A 26 0.511 4.629 23.186 1.00 0.00 C ATOM 382 OE1 GLU A 26 -0.329 5.279 22.529 1.00 0.00 O ATOM 383 OE2 GLU A 26 1.296 5.095 24.040 1.00 0.00 O ATOM 0 H GLU A 26 3.117 1.245 21.472 1.00 0.00 H new ATOM 0 HA GLU A 26 0.398 0.906 21.914 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.278 3.090 21.582 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.758 3.474 20.799 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.413 2.693 22.960 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.172 2.642 23.704 1.00 0.00 H new ATOM 388 N VAL A 27 1.211 1.026 18.789 1.00 0.00 N ATOM 389 CA VAL A 27 0.718 0.880 17.430 1.00 0.00 C ATOM 390 C VAL A 27 0.223 -0.552 17.223 1.00 0.00 C ATOM 391 O VAL A 27 -0.879 -0.766 16.722 1.00 0.00 O ATOM 392 CB VAL A 27 1.804 1.288 16.433 1.00 0.00 C ATOM 393 CG1 VAL A 27 1.372 0.981 14.997 1.00 0.00 C ATOM 394 CG2 VAL A 27 2.167 2.765 16.592 1.00 0.00 C ATOM 0 H VAL A 27 2.224 0.953 18.885 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.129 1.544 17.257 1.00 0.00 H new ATOM 0 HB VAL A 27 2.696 0.699 16.648 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.161 1.280 14.308 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.186 -0.088 14.894 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.460 1.532 14.766 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.941 3.029 15.872 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.283 3.378 16.416 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.536 2.942 17.602 1.00 0.00 H new ATOM 404 N ALA A 28 1.063 -1.498 17.618 1.00 0.00 N ATOM 405 CA ALA A 28 0.725 -2.905 17.482 1.00 0.00 C ATOM 406 C ALA A 28 -0.448 -3.234 18.408 1.00 0.00 C ATOM 407 O ALA A 28 -1.169 -4.205 18.179 1.00 0.00 O ATOM 408 CB ALA A 28 1.959 -3.758 17.779 1.00 0.00 C ATOM 0 H ALA A 28 1.977 -1.317 18.032 1.00 0.00 H new ATOM 0 HA ALA A 28 0.413 -3.128 16.462 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.705 -4.813 17.677 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.753 -3.506 17.076 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.300 -3.564 18.796 1.00 0.00 H new ATOM 414 N ILE A 29 -0.603 -2.409 19.432 1.00 0.00 N ATOM 415 CA ILE A 29 -1.676 -2.601 20.393 1.00 0.00 C ATOM 416 C ILE A 29 -3.019 -2.326 19.713 1.00 0.00 C ATOM 417 O ILE A 29 -4.034 -2.922 20.072 1.00 0.00 O ATOM 418 CB ILE A 29 -1.435 -1.751 21.643 1.00 0.00 C ATOM 419 CG1 ILE A 29 -1.681 -2.566 22.915 1.00 0.00 C ATOM 420 CG2 ILE A 29 -2.276 -0.474 21.608 1.00 0.00 C ATOM 421 CD1 ILE A 29 -3.179 -2.722 23.185 1.00 0.00 C ATOM 0 H ILE A 29 -0.003 -1.605 19.618 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.698 -3.635 20.738 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.389 -1.446 21.653 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.221 -3.549 22.816 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.204 -2.075 23.763 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.086 0.112 22.507 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.009 0.113 20.729 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.333 -0.736 21.562 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.326 -3.305 24.094 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.631 -1.738 23.308 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.649 -3.235 22.345 1.00 0.00 H new ATOM 432 N SER A 30 -2.981 -1.426 18.742 1.00 0.00 N ATOM 433 CA SER A 30 -4.182 -1.065 18.009 1.00 0.00 C ATOM 434 C SER A 30 -4.681 -2.265 17.201 1.00 0.00 C ATOM 435 O SER A 30 -5.878 -2.390 16.944 1.00 0.00 O ATOM 436 CB SER A 30 -3.927 0.127 17.085 1.00 0.00 C ATOM 437 OG SER A 30 -3.416 -0.279 15.817 1.00 0.00 O ATOM 0 H SER A 30 -2.137 -0.936 18.446 1.00 0.00 H new ATOM 0 HA SER A 30 -4.947 -0.774 18.729 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.856 0.679 16.941 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.221 0.808 17.559 1.00 0.00 H new ATOM 0 HG SER A 30 -2.468 -0.512 15.906 1.00 0.00 H new ATOM 442 N GLU A 31 -3.740 -3.117 16.823 1.00 0.00 N ATOM 443 CA GLU A 31 -4.070 -4.302 16.050 1.00 0.00 C ATOM 444 C GLU A 31 -5.055 -5.182 16.821 1.00 0.00 C ATOM 445 O GLU A 31 -5.818 -5.939 16.222 1.00 0.00 O ATOM 446 CB GLU A 31 -2.808 -5.085 15.682 1.00 0.00 C ATOM 447 CG GLU A 31 -3.162 -6.403 14.990 1.00 0.00 C ATOM 448 CD GLU A 31 -3.693 -6.154 13.576 1.00 0.00 C ATOM 449 OE1 GLU A 31 -2.910 -5.619 12.762 1.00 0.00 O ATOM 450 OE2 GLU A 31 -4.870 -6.505 13.342 1.00 0.00 O ATOM 0 H GLU A 31 -2.749 -3.010 17.038 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.546 -3.985 15.122 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.181 -4.482 15.025 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.226 -5.287 16.581 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.280 -7.042 14.944 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.912 -6.936 15.575 1.00 0.00 H new ATOM 455 N GLU A 32 -5.007 -5.054 18.140 1.00 0.00 N ATOM 456 CA GLU A 32 -5.886 -5.828 18.999 1.00 0.00 C ATOM 457 C GLU A 32 -7.252 -5.149 19.111 1.00 0.00 C ATOM 458 O GLU A 32 -8.270 -5.818 19.281 1.00 0.00 O ATOM 459 CB GLU A 32 -5.261 -6.033 20.380 1.00 0.00 C ATOM 460 CG GLU A 32 -4.165 -7.100 20.334 1.00 0.00 C ATOM 461 CD GLU A 32 -3.299 -7.051 21.593 1.00 0.00 C ATOM 462 OE1 GLU A 32 -2.331 -6.260 21.586 1.00 0.00 O ATOM 463 OE2 GLU A 32 -3.623 -7.805 22.536 1.00 0.00 O ATOM 0 H GLU A 32 -4.373 -4.426 18.634 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.027 -6.811 18.550 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.842 -5.092 20.737 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.032 -6.329 21.091 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.617 -8.087 20.238 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.541 -6.948 19.453 1.00 0.00 H new ATOM 468 N LEU A 33 -7.231 -3.828 19.010 1.00 0.00 N ATOM 469 CA LEU A 33 -8.456 -3.051 19.098 1.00 0.00 C ATOM 470 C LEU A 33 -9.489 -3.624 18.126 1.00 0.00 C ATOM 471 O LEU A 33 -10.639 -3.852 18.500 1.00 0.00 O ATOM 472 CB LEU A 33 -8.164 -1.565 18.879 1.00 0.00 C ATOM 473 CG LEU A 33 -8.282 -0.669 20.114 1.00 0.00 C ATOM 474 CD1 LEU A 33 -9.748 -0.382 20.444 1.00 0.00 C ATOM 475 CD2 LEU A 33 -7.535 -1.275 21.304 1.00 0.00 C ATOM 0 H LEU A 33 -6.385 -3.276 18.868 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.883 -3.125 20.098 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.154 -1.468 18.480 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.846 -1.190 18.116 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.809 0.287 19.890 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.804 0.257 21.326 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.219 0.122 19.600 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.267 -1.320 20.642 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.635 -0.619 22.169 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.957 -2.252 21.539 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.480 -1.387 21.053 1.00 0.00 H new ATOM 486 N VAL A 34 -9.043 -3.841 16.897 1.00 0.00 N ATOM 487 CA VAL A 34 -9.913 -4.383 15.869 1.00 0.00 C ATOM 488 C VAL A 34 -10.430 -5.752 16.315 1.00 0.00 C ATOM 489 O VAL A 34 -11.514 -6.172 15.910 1.00 0.00 O ATOM 490 CB VAL A 34 -9.176 -4.429 14.529 1.00 0.00 C ATOM 491 CG1 VAL A 34 -8.022 -5.431 14.573 1.00 0.00 C ATOM 492 CG2 VAL A 34 -10.139 -4.751 13.384 1.00 0.00 C ATOM 0 H VAL A 34 -8.089 -3.651 16.591 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.780 -3.739 15.724 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.755 -3.441 14.344 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.515 -5.444 13.608 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.316 -5.139 15.350 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.412 -6.425 14.792 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -9.590 -4.778 12.443 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -10.603 -5.721 13.561 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.911 -3.984 13.332 1.00 0.00 H new ATOM 502 N GLN A 35 -9.631 -6.411 17.141 1.00 0.00 N ATOM 503 CA GLN A 35 -9.994 -7.724 17.645 1.00 0.00 C ATOM 504 C GLN A 35 -10.972 -7.592 18.814 1.00 0.00 C ATOM 505 O GLN A 35 -11.641 -8.557 19.182 1.00 0.00 O ATOM 506 CB GLN A 35 -8.752 -8.515 18.057 1.00 0.00 C ATOM 507 CG GLN A 35 -8.860 -9.976 17.614 1.00 0.00 C ATOM 508 CD GLN A 35 -7.621 -10.770 18.034 1.00 0.00 C ATOM 509 OE1 GLN A 35 -7.390 -11.036 19.202 1.00 0.00 O ATOM 510 NE2 GLN A 35 -6.841 -11.132 17.020 1.00 0.00 N ATOM 0 H GLN A 35 -8.733 -6.060 17.474 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.487 -8.275 16.844 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.865 -8.062 17.615 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.629 -8.468 19.139 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.751 -10.427 18.051 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -8.977 -10.024 16.531 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -7.094 -10.876 16.066 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -5.990 -11.666 17.197 1.00 0.00 H new ATOM 517 N LYS A 36 -11.026 -6.388 19.366 1.00 0.00 N ATOM 518 CA LYS A 36 -11.912 -6.117 20.486 1.00 0.00 C ATOM 519 C LYS A 36 -13.329 -5.874 19.962 1.00 0.00 C ATOM 520 O LYS A 36 -14.303 -6.050 20.692 1.00 0.00 O ATOM 521 CB LYS A 36 -11.365 -4.969 21.336 1.00 0.00 C ATOM 522 CG LYS A 36 -11.756 -5.140 22.805 1.00 0.00 C ATOM 523 CD LYS A 36 -10.553 -4.910 23.723 1.00 0.00 C ATOM 524 CE LYS A 36 -10.967 -4.970 25.194 1.00 0.00 C ATOM 525 NZ LYS A 36 -10.036 -4.177 26.027 1.00 0.00 N ATOM 0 H LYS A 36 -10.471 -5.590 19.059 1.00 0.00 H new ATOM 0 HA LYS A 36 -11.961 -6.979 21.151 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.279 -4.931 21.247 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.749 -4.020 20.962 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.550 -4.438 23.058 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.154 -6.142 22.965 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.791 -5.663 23.525 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.106 -3.940 23.507 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.982 -4.588 25.308 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.976 -6.006 25.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.331 -4.228 27.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.073 -4.559 25.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.048 -3.186 25.713 1.00 0.00 H new ATOM 535 N TYR A 37 -13.399 -5.472 18.702 1.00 0.00 N ATOM 536 CA TYR A 37 -14.680 -5.203 18.072 1.00 0.00 C ATOM 537 C TYR A 37 -15.616 -6.406 18.196 1.00 0.00 C ATOM 538 O TYR A 37 -16.803 -6.247 18.480 1.00 0.00 O ATOM 539 CB TYR A 37 -14.379 -4.956 16.592 1.00 0.00 C ATOM 540 CG TYR A 37 -15.098 -5.917 15.643 1.00 0.00 C ATOM 541 CD1 TYR A 37 -16.476 -5.999 15.657 1.00 0.00 C ATOM 542 CD2 TYR A 37 -14.370 -6.702 14.772 1.00 0.00 C ATOM 543 CE1 TYR A 37 -17.152 -6.903 14.764 1.00 0.00 C ATOM 544 CE2 TYR A 37 -15.046 -7.606 13.879 1.00 0.00 C ATOM 545 CZ TYR A 37 -16.405 -7.663 13.920 1.00 0.00 C ATOM 546 OH TYR A 37 -17.043 -8.517 13.076 1.00 0.00 O ATOM 0 H TYR A 37 -12.589 -5.326 18.100 1.00 0.00 H new ATOM 0 HA TYR A 37 -15.169 -4.353 18.547 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -14.661 -3.934 16.340 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -13.304 -5.039 16.431 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -17.047 -5.385 16.338 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -13.292 -6.638 14.760 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -18.230 -6.976 14.764 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -14.488 -8.225 13.192 1.00 0.00 H new ATOM 0 HH TYR A 37 -17.336 -8.030 12.278 1.00 0.00 H new ATOM 555 N SER A 38 -15.048 -7.583 17.979 1.00 0.00 N ATOM 556 CA SER A 38 -15.817 -8.813 18.063 1.00 0.00 C ATOM 557 C SER A 38 -16.479 -8.922 19.438 1.00 0.00 C ATOM 558 O SER A 38 -17.634 -9.333 19.545 1.00 0.00 O ATOM 559 CB SER A 38 -14.933 -10.034 17.800 1.00 0.00 C ATOM 560 OG SER A 38 -15.693 -11.237 17.735 1.00 0.00 O ATOM 0 H SER A 38 -14.064 -7.711 17.745 1.00 0.00 H new ATOM 0 HA SER A 38 -16.591 -8.787 17.295 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.392 -9.895 16.864 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.187 -10.119 18.590 1.00 0.00 H new ATOM 0 HG SER A 38 -15.094 -11.994 17.564 1.00 0.00 H new ATOM 565 N ASN A 39 -15.719 -8.548 20.458 1.00 0.00 N ATOM 566 CA ASN A 39 -16.217 -8.600 21.821 1.00 0.00 C ATOM 567 C ASN A 39 -17.041 -7.342 22.106 1.00 0.00 C ATOM 568 O ASN A 39 -18.207 -7.434 22.486 1.00 0.00 O ATOM 569 CB ASN A 39 -15.064 -8.648 22.827 1.00 0.00 C ATOM 570 CG ASN A 39 -15.010 -10.004 23.533 1.00 0.00 C ATOM 571 OD1 ASN A 39 -15.285 -11.043 22.958 1.00 0.00 O ATOM 572 ND2 ASN A 39 -14.639 -9.935 24.808 1.00 0.00 N ATOM 0 H ASN A 39 -14.762 -8.208 20.367 1.00 0.00 H new ATOM 0 HA ASN A 39 -16.824 -9.499 21.925 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -14.120 -8.463 22.313 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -15.186 -7.855 23.564 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -14.571 -10.786 25.366 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -14.423 -9.031 25.228 1.00 0.00 H new ATOM 578 N SER A 40 -16.402 -6.198 21.911 1.00 0.00 N ATOM 579 CA SER A 40 -17.063 -4.924 22.143 1.00 0.00 C ATOM 580 C SER A 40 -18.386 -4.874 21.378 1.00 0.00 C ATOM 581 O SER A 40 -19.352 -4.267 21.841 1.00 0.00 O ATOM 582 CB SER A 40 -16.166 -3.756 21.727 1.00 0.00 C ATOM 583 OG SER A 40 -15.620 -3.075 22.854 1.00 0.00 O ATOM 0 H SER A 40 -15.435 -6.126 21.595 1.00 0.00 H new ATOM 0 HA SER A 40 -17.264 -4.832 23.210 1.00 0.00 H new ATOM 0 HB2 SER A 40 -15.355 -4.127 21.100 1.00 0.00 H new ATOM 0 HB3 SER A 40 -16.741 -3.054 21.123 1.00 0.00 H new ATOM 0 HG SER A 40 -15.052 -2.338 22.547 1.00 0.00 H new ATOM 588 N ALA A 41 -18.390 -5.521 20.222 1.00 0.00 N ATOM 589 CA ALA A 41 -19.581 -5.558 19.389 1.00 0.00 C ATOM 590 C ALA A 41 -20.778 -5.993 20.237 1.00 0.00 C ATOM 591 O ALA A 41 -21.924 -5.715 19.888 1.00 0.00 O ATOM 592 CB ALA A 41 -19.341 -6.487 18.197 1.00 0.00 C ATOM 0 H ALA A 41 -17.588 -6.024 19.842 1.00 0.00 H new ATOM 0 HA ALA A 41 -19.803 -4.568 18.991 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -20.234 -6.515 17.572 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -18.499 -6.117 17.611 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -19.119 -7.491 18.557 1.00 0.00 H new ATOM 598 N LEU A 42 -20.471 -6.670 21.334 1.00 0.00 N ATOM 599 CA LEU A 42 -21.507 -7.147 22.234 1.00 0.00 C ATOM 600 C LEU A 42 -22.519 -6.027 22.478 1.00 0.00 C ATOM 601 O LEU A 42 -23.684 -6.291 22.773 1.00 0.00 O ATOM 602 CB LEU A 42 -20.887 -7.706 23.516 1.00 0.00 C ATOM 603 CG LEU A 42 -20.171 -6.693 24.412 1.00 0.00 C ATOM 604 CD1 LEU A 42 -21.141 -6.070 25.419 1.00 0.00 C ATOM 605 CD2 LEU A 42 -18.960 -7.328 25.100 1.00 0.00 C ATOM 0 H LEU A 42 -19.519 -6.899 21.620 1.00 0.00 H new ATOM 0 HA LEU A 42 -22.052 -7.977 21.783 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -21.675 -8.184 24.099 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -20.176 -8.485 23.242 1.00 0.00 H new ATOM 0 HG LEU A 42 -19.797 -5.885 23.783 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -20.607 -5.354 26.043 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -21.942 -5.559 24.885 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -21.566 -6.853 26.047 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -18.469 -6.586 25.731 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -19.289 -8.166 25.714 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -18.258 -7.684 24.346 1.00 0.00 H new ATOM 616 N GLY A 43 -22.039 -4.799 22.345 1.00 0.00 N ATOM 617 CA GLY A 43 -22.888 -3.638 22.548 1.00 0.00 C ATOM 618 C GLY A 43 -22.435 -2.468 21.672 1.00 0.00 C ATOM 619 O GLY A 43 -22.077 -1.408 22.183 1.00 0.00 O ATOM 0 H GLY A 43 -21.073 -4.583 22.099 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -23.922 -3.893 22.314 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -22.862 -3.343 23.597 1.00 0.00 H new ATOM 623 N HIS A 44 -22.465 -2.701 20.368 1.00 0.00 N ATOM 624 CA HIS A 44 -22.061 -1.679 19.416 1.00 0.00 C ATOM 625 C HIS A 44 -20.890 -0.878 19.989 1.00 0.00 C ATOM 626 O HIS A 44 -20.774 0.321 19.742 1.00 0.00 O ATOM 627 CB HIS A 44 -23.249 -0.797 19.030 1.00 0.00 C ATOM 628 CG HIS A 44 -23.416 -0.609 17.541 1.00 0.00 C ATOM 629 ND1 HIS A 44 -24.604 -0.192 16.966 1.00 0.00 N ATOM 630 CD2 HIS A 44 -22.533 -0.785 16.515 1.00 0.00 C ATOM 631 CE1 HIS A 44 -24.433 -0.125 15.654 1.00 0.00 C ATOM 632 NE2 HIS A 44 -23.149 -0.493 15.377 1.00 0.00 N ATOM 0 H HIS A 44 -22.762 -3.582 19.948 1.00 0.00 H new ATOM 0 HA HIS A 44 -21.718 -2.150 18.495 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -24.161 -1.236 19.435 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -23.130 0.180 19.498 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -21.507 -1.107 16.613 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -25.179 0.169 14.931 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -22.731 -0.537 14.448 1.00 0.00 H new ATOM 640 N VAL A 45 -20.051 -1.574 20.742 1.00 0.00 N ATOM 641 CA VAL A 45 -18.892 -0.943 21.352 1.00 0.00 C ATOM 642 C VAL A 45 -17.719 -0.984 20.370 1.00 0.00 C ATOM 643 O VAL A 45 -16.801 -0.171 20.461 1.00 0.00 O ATOM 644 CB VAL A 45 -18.576 -1.613 22.690 1.00 0.00 C ATOM 645 CG1 VAL A 45 -17.576 -0.780 23.497 1.00 0.00 C ATOM 646 CG2 VAL A 45 -19.854 -1.862 23.494 1.00 0.00 C ATOM 0 H VAL A 45 -20.150 -2.569 20.944 1.00 0.00 H new ATOM 0 HA VAL A 45 -19.097 0.105 21.569 1.00 0.00 H new ATOM 0 HB VAL A 45 -18.117 -2.579 22.481 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -17.368 -1.278 24.444 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -16.650 -0.675 22.931 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -17.997 0.207 23.691 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -19.601 -2.339 24.441 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -20.353 -0.912 23.688 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -20.520 -2.512 22.927 1.00 0.00 H new ATOM 656 N ASN A 46 -17.788 -1.939 19.455 1.00 0.00 N ATOM 657 CA ASN A 46 -16.743 -2.098 18.458 1.00 0.00 C ATOM 658 C ASN A 46 -16.551 -0.775 17.712 1.00 0.00 C ATOM 659 O ASN A 46 -15.430 -0.289 17.581 1.00 0.00 O ATOM 660 CB ASN A 46 -17.118 -3.169 17.432 1.00 0.00 C ATOM 661 CG ASN A 46 -18.568 -3.003 16.972 1.00 0.00 C ATOM 662 OD1 ASN A 46 -19.383 -2.365 17.618 1.00 0.00 O ATOM 663 ND2 ASN A 46 -18.842 -3.612 15.821 1.00 0.00 N ATOM 0 H ASN A 46 -18.552 -2.611 19.383 1.00 0.00 H new ATOM 0 HA ASN A 46 -15.829 -2.396 18.972 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -16.450 -3.104 16.573 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -16.982 -4.159 17.868 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -19.782 -3.561 15.428 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -18.112 -4.130 15.332 1.00 0.00 H new ATOM 669 N CYS A 47 -17.665 -0.230 17.243 1.00 0.00 N ATOM 670 CA CYS A 47 -17.633 1.027 16.514 1.00 0.00 C ATOM 671 C CYS A 47 -17.233 2.137 17.488 1.00 0.00 C ATOM 672 O CYS A 47 -16.775 3.198 17.070 1.00 0.00 O ATOM 673 CB CYS A 47 -18.972 1.319 15.834 1.00 0.00 C ATOM 674 SG CYS A 47 -20.148 2.025 17.044 1.00 0.00 S ATOM 0 H CYS A 47 -18.594 -0.636 17.354 1.00 0.00 H new ATOM 0 HA CYS A 47 -16.898 0.967 15.712 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -18.826 2.015 15.008 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -19.381 0.402 15.409 1.00 0.00 H new ATOM 0 HG CYS A 47 -20.292 1.202 18.040 1.00 0.00 H new ATOM 679 N THR A 48 -17.421 1.854 18.768 1.00 0.00 N ATOM 680 CA THR A 48 -17.086 2.815 19.805 1.00 0.00 C ATOM 681 C THR A 48 -15.575 2.833 20.047 1.00 0.00 C ATOM 682 O THR A 48 -15.015 3.861 20.424 1.00 0.00 O ATOM 683 CB THR A 48 -17.898 2.466 21.054 1.00 0.00 C ATOM 684 OG1 THR A 48 -19.168 2.071 20.544 1.00 0.00 O ATOM 685 CG2 THR A 48 -18.206 3.693 21.914 1.00 0.00 C ATOM 0 H THR A 48 -17.801 0.972 19.111 1.00 0.00 H new ATOM 0 HA THR A 48 -17.347 3.829 19.504 1.00 0.00 H new ATOM 0 HB THR A 48 -17.352 1.734 21.649 1.00 0.00 H new ATOM 0 HG1 THR A 48 -19.840 2.134 21.255 1.00 0.00 H new ATOM 0 HG21 THR A 48 -18.784 3.390 22.787 1.00 0.00 H new ATOM 0 HG22 THR A 48 -17.273 4.153 22.239 1.00 0.00 H new ATOM 0 HG23 THR A 48 -18.781 4.412 21.330 1.00 0.00 H new ATOM 693 N ILE A 49 -14.959 1.683 19.820 1.00 0.00 N ATOM 694 CA ILE A 49 -13.524 1.554 20.009 1.00 0.00 C ATOM 695 C ILE A 49 -12.810 1.863 18.692 1.00 0.00 C ATOM 696 O ILE A 49 -11.802 2.567 18.678 1.00 0.00 O ATOM 697 CB ILE A 49 -13.181 0.178 20.585 1.00 0.00 C ATOM 698 CG1 ILE A 49 -13.771 -0.940 19.724 1.00 0.00 C ATOM 699 CG2 ILE A 49 -13.623 0.070 22.046 1.00 0.00 C ATOM 700 CD1 ILE A 49 -13.169 -2.296 20.098 1.00 0.00 C ATOM 0 H ILE A 49 -15.427 0.832 19.507 1.00 0.00 H new ATOM 0 HA ILE A 49 -13.170 2.279 20.742 1.00 0.00 H new ATOM 0 HB ILE A 49 -12.098 0.061 20.566 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -14.853 -0.971 19.853 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -13.581 -0.732 18.671 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -13.368 -0.917 22.431 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -13.116 0.833 22.637 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -14.701 0.218 22.112 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -13.606 -3.073 19.471 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -12.090 -2.270 19.945 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -13.382 -2.512 21.145 1.00 0.00 H new ATOM 711 N LYS A 50 -13.362 1.322 17.615 1.00 0.00 N ATOM 712 CA LYS A 50 -12.791 1.532 16.296 1.00 0.00 C ATOM 713 C LYS A 50 -12.779 3.029 15.982 1.00 0.00 C ATOM 714 O LYS A 50 -11.722 3.606 15.731 1.00 0.00 O ATOM 715 CB LYS A 50 -13.530 0.691 15.252 1.00 0.00 C ATOM 716 CG LYS A 50 -12.572 -0.263 14.538 1.00 0.00 C ATOM 717 CD LYS A 50 -11.971 -1.272 15.519 1.00 0.00 C ATOM 718 CE LYS A 50 -12.854 -2.516 15.635 1.00 0.00 C ATOM 719 NZ LYS A 50 -12.647 -3.410 14.474 1.00 0.00 N ATOM 0 H LYS A 50 -14.199 0.739 17.630 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.756 1.192 16.271 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -14.324 0.121 15.735 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -14.006 1.346 14.523 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -13.103 -0.792 13.746 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.774 0.306 14.062 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.974 -1.559 15.186 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.858 -0.809 16.499 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.622 -3.049 16.557 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.902 -2.221 15.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.567 -3.656 14.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.063 -2.926 13.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.165 -4.277 14.785 1.00 0.00 H new ATOM 729 N GLU A 51 -13.966 3.617 16.008 1.00 0.00 N ATOM 730 CA GLU A 51 -14.105 5.036 15.729 1.00 0.00 C ATOM 731 C GLU A 51 -12.945 5.815 16.353 1.00 0.00 C ATOM 732 O GLU A 51 -12.552 6.863 15.844 1.00 0.00 O ATOM 733 CB GLU A 51 -15.452 5.563 16.228 1.00 0.00 C ATOM 734 CG GLU A 51 -15.631 7.038 15.867 1.00 0.00 C ATOM 735 CD GLU A 51 -15.931 7.876 17.111 1.00 0.00 C ATOM 736 OE1 GLU A 51 -17.128 7.962 17.462 1.00 0.00 O ATOM 737 OE2 GLU A 51 -14.957 8.411 17.685 1.00 0.00 O ATOM 0 H GLU A 51 -14.841 3.136 16.218 1.00 0.00 H new ATOM 0 HA GLU A 51 -14.074 5.180 14.649 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -16.260 4.977 15.791 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.517 5.439 17.309 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.728 7.410 15.383 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -16.444 7.144 15.148 1.00 0.00 H new ATOM 742 N LEU A 52 -12.431 5.273 17.447 1.00 0.00 N ATOM 743 CA LEU A 52 -11.324 5.904 18.146 1.00 0.00 C ATOM 744 C LEU A 52 -10.008 5.291 17.665 1.00 0.00 C ATOM 745 O LEU A 52 -9.186 5.975 17.057 1.00 0.00 O ATOM 746 CB LEU A 52 -11.527 5.817 19.659 1.00 0.00 C ATOM 747 CG LEU A 52 -11.438 7.138 20.426 1.00 0.00 C ATOM 748 CD1 LEU A 52 -12.811 7.564 20.947 1.00 0.00 C ATOM 749 CD2 LEU A 52 -10.400 7.054 21.547 1.00 0.00 C ATOM 0 H LEU A 52 -12.761 4.404 17.867 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.283 6.968 17.914 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -12.505 5.375 19.849 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.783 5.133 20.066 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.102 7.911 19.735 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.719 8.506 21.488 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -13.495 7.693 20.108 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -13.200 6.797 21.617 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -10.357 8.006 22.076 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.680 6.264 22.244 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -9.422 6.832 21.121 1.00 0.00 H new ATOM 760 N ARG A 53 -9.847 4.009 17.957 1.00 0.00 N ATOM 761 CA ARG A 53 -8.645 3.296 17.563 1.00 0.00 C ATOM 762 C ARG A 53 -8.263 3.652 16.125 1.00 0.00 C ATOM 763 O ARG A 53 -7.272 4.343 15.894 1.00 0.00 O ATOM 764 CB ARG A 53 -8.840 1.782 17.671 1.00 0.00 C ATOM 765 CG ARG A 53 -7.706 1.031 16.972 1.00 0.00 C ATOM 766 CD ARG A 53 -8.225 0.265 15.753 1.00 0.00 C ATOM 767 NE ARG A 53 -7.158 0.154 14.733 1.00 0.00 N ATOM 768 CZ ARG A 53 -7.242 -0.616 13.639 1.00 0.00 C ATOM 769 NH1 ARG A 53 -8.343 -1.347 13.417 1.00 0.00 N ATOM 770 NH2 ARG A 53 -6.225 -0.655 12.768 1.00 0.00 N ATOM 0 H ARG A 53 -10.530 3.445 18.463 1.00 0.00 H new ATOM 0 HA ARG A 53 -7.846 3.597 18.240 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.880 1.491 18.721 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.795 1.502 17.226 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.935 1.736 16.662 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.240 0.337 17.671 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.558 -0.729 16.052 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.090 0.778 15.332 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.306 0.697 14.871 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.117 -1.317 14.081 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.407 -1.933 12.585 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.387 -0.099 12.937 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.289 -1.241 11.935 1.00 0.00 H new ATOM 781 N ARG A 54 -9.072 3.165 15.194 1.00 0.00 N ATOM 782 CA ARG A 54 -8.832 3.424 13.785 1.00 0.00 C ATOM 783 C ARG A 54 -9.497 4.737 13.366 1.00 0.00 C ATOM 784 O ARG A 54 -8.838 5.629 12.832 1.00 0.00 O ATOM 785 CB ARG A 54 -9.373 2.287 12.916 1.00 0.00 C ATOM 786 CG ARG A 54 -8.321 1.822 11.906 1.00 0.00 C ATOM 787 CD ARG A 54 -8.749 0.516 11.232 1.00 0.00 C ATOM 788 NE ARG A 54 -9.056 0.759 9.805 1.00 0.00 N ATOM 789 CZ ARG A 54 -8.143 1.115 8.890 1.00 0.00 C ATOM 790 NH1 ARG A 54 -6.862 1.271 9.249 1.00 0.00 N ATOM 791 NH2 ARG A 54 -8.512 1.314 7.618 1.00 0.00 N ATOM 0 H ARG A 54 -9.894 2.593 15.389 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.754 3.496 13.640 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.670 1.451 13.549 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.267 2.621 12.389 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -8.171 2.593 11.151 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -7.365 1.679 12.410 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -7.955 -0.225 11.320 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -9.625 0.107 11.736 1.00 0.00 H new ATOM 0 HE ARG A 54 -10.023 0.649 9.498 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.582 1.119 10.218 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.167 1.542 8.553 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -9.488 1.195 7.345 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.817 1.585 6.922 1.00 0.00 H new ATOM 802 N LEU A 55 -10.794 4.814 13.622 1.00 0.00 N ATOM 803 CA LEU A 55 -11.556 6.004 13.278 1.00 0.00 C ATOM 804 C LEU A 55 -11.908 5.964 11.789 1.00 0.00 C ATOM 805 O LEU A 55 -12.023 7.007 11.147 1.00 0.00 O ATOM 806 CB LEU A 55 -10.799 7.264 13.698 1.00 0.00 C ATOM 807 CG LEU A 55 -11.657 8.499 13.981 1.00 0.00 C ATOM 808 CD1 LEU A 55 -11.263 9.149 15.308 1.00 0.00 C ATOM 809 CD2 LEU A 55 -11.594 9.489 12.817 1.00 0.00 C ATOM 0 H LEU A 55 -11.338 4.072 14.064 1.00 0.00 H new ATOM 0 HA LEU A 55 -12.497 6.028 13.828 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.221 7.035 14.593 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.086 7.514 12.913 1.00 0.00 H new ATOM 0 HG LEU A 55 -12.695 8.179 14.076 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.888 10.024 15.484 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.402 8.434 16.119 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.217 9.453 15.268 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -12.212 10.357 13.044 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.563 9.808 12.666 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -11.962 9.009 11.910 1.00 0.00 H new ATOM 820 N PHE A 56 -12.069 4.751 11.283 1.00 0.00 N ATOM 821 CA PHE A 56 -12.406 4.563 9.882 1.00 0.00 C ATOM 822 C PHE A 56 -13.174 3.256 9.673 1.00 0.00 C ATOM 823 O PHE A 56 -14.167 3.225 8.949 1.00 0.00 O ATOM 824 CB PHE A 56 -11.086 4.493 9.110 1.00 0.00 C ATOM 825 CG PHE A 56 -11.060 5.354 7.846 1.00 0.00 C ATOM 826 CD1 PHE A 56 -10.775 6.681 7.931 1.00 0.00 C ATOM 827 CD2 PHE A 56 -11.321 4.791 6.635 1.00 0.00 C ATOM 828 CE1 PHE A 56 -10.751 7.480 6.758 1.00 0.00 C ATOM 829 CE2 PHE A 56 -11.295 5.590 5.461 1.00 0.00 C ATOM 830 CZ PHE A 56 -11.011 6.916 5.547 1.00 0.00 C ATOM 0 H PHE A 56 -11.972 3.888 11.818 1.00 0.00 H new ATOM 0 HA PHE A 56 -13.036 5.383 9.538 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -10.275 4.806 9.768 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -10.892 3.456 8.835 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -10.567 7.127 8.892 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -11.548 3.737 6.567 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -10.527 8.534 6.826 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -11.501 5.143 4.499 1.00 0.00 H new ATOM 0 HZ PHE A 56 -10.992 7.523 4.654 1.00 0.00 H new ATOM 839 N LEU A 57 -12.685 2.210 10.321 1.00 0.00 N ATOM 840 CA LEU A 57 -13.314 0.903 10.216 1.00 0.00 C ATOM 841 C LEU A 57 -14.705 0.959 10.851 1.00 0.00 C ATOM 842 O LEU A 57 -15.678 0.493 10.261 1.00 0.00 O ATOM 843 CB LEU A 57 -12.408 -0.176 10.812 1.00 0.00 C ATOM 844 CG LEU A 57 -12.445 -1.541 10.119 1.00 0.00 C ATOM 845 CD1 LEU A 57 -13.885 -2.034 9.957 1.00 0.00 C ATOM 846 CD2 LEU A 57 -11.700 -1.499 8.784 1.00 0.00 C ATOM 0 H LEU A 57 -11.861 2.240 10.921 1.00 0.00 H new ATOM 0 HA LEU A 57 -13.452 0.629 9.170 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -11.381 0.190 10.796 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -12.681 -0.314 11.858 1.00 0.00 H new ATOM 0 HG LEU A 57 -11.927 -2.260 10.753 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -13.884 -3.005 9.462 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -14.350 -2.127 10.938 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -14.448 -1.321 9.355 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -11.742 -2.481 8.313 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -12.167 -0.763 8.130 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -10.660 -1.223 8.956 1.00 0.00 H new ATOM 857 N VAL A 58 -14.753 1.532 12.044 1.00 0.00 N ATOM 858 CA VAL A 58 -16.008 1.654 12.766 1.00 0.00 C ATOM 859 C VAL A 58 -16.748 0.315 12.723 1.00 0.00 C ATOM 860 O VAL A 58 -17.520 0.058 11.801 1.00 0.00 O ATOM 861 CB VAL A 58 -16.830 2.810 12.193 1.00 0.00 C ATOM 862 CG1 VAL A 58 -18.221 2.861 12.828 1.00 0.00 C ATOM 863 CG2 VAL A 58 -16.099 4.142 12.368 1.00 0.00 C ATOM 0 H VAL A 58 -13.943 1.917 12.529 1.00 0.00 H new ATOM 0 HA VAL A 58 -15.825 1.891 13.814 1.00 0.00 H new ATOM 0 HB VAL A 58 -16.955 2.634 11.125 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -18.785 3.692 12.403 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -18.746 1.927 12.629 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -18.125 3.001 13.905 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -16.705 4.947 11.952 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -15.928 4.327 13.429 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -15.142 4.103 11.848 1.00 0.00 H new ATOM 873 N ASP A 59 -16.486 -0.502 13.732 1.00 0.00 N ATOM 874 CA ASP A 59 -17.118 -1.808 13.822 1.00 0.00 C ATOM 875 C ASP A 59 -16.713 -2.649 12.609 1.00 0.00 C ATOM 876 O ASP A 59 -17.260 -2.481 11.521 1.00 0.00 O ATOM 877 CB ASP A 59 -18.642 -1.684 13.822 1.00 0.00 C ATOM 878 CG ASP A 59 -19.389 -2.881 13.232 1.00 0.00 C ATOM 879 OD1 ASP A 59 -18.827 -3.995 13.310 1.00 0.00 O ATOM 880 OD2 ASP A 59 -20.506 -2.656 12.718 1.00 0.00 O ATOM 0 H ASP A 59 -15.844 -0.285 14.495 1.00 0.00 H new ATOM 0 HA ASP A 59 -16.794 -2.276 14.752 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -18.979 -1.534 14.848 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -18.919 -0.791 13.262 1.00 0.00 H new ATOM 884 N ASP A 60 -15.757 -3.537 12.838 1.00 0.00 N ATOM 885 CA ASP A 60 -15.272 -4.405 11.779 1.00 0.00 C ATOM 886 C ASP A 60 -15.940 -5.776 11.903 1.00 0.00 C ATOM 887 O ASP A 60 -17.047 -5.978 11.408 1.00 0.00 O ATOM 888 CB ASP A 60 -13.758 -4.605 11.880 1.00 0.00 C ATOM 889 CG ASP A 60 -13.146 -5.475 10.780 1.00 0.00 C ATOM 890 OD1 ASP A 60 -13.900 -6.306 10.228 1.00 0.00 O ATOM 891 OD2 ASP A 60 -11.938 -5.291 10.517 1.00 0.00 O ATOM 0 H ASP A 60 -15.305 -3.674 13.742 1.00 0.00 H new ATOM 0 HA ASP A 60 -15.511 -3.937 10.824 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.275 -3.628 11.860 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.530 -5.054 12.847 1.00 0.00 H new