USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=11 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 :FLIP no HD1:sc= -3.71! C(o=-8.9!,f=-5.2!) USER MOD Set 1.2: A 47 CYS SG : rot -121:sc= -1.96! USER MOD Set 1.3: A 48 THR OG1 : rot 58:sc= 0.435 USER MOD Single : A 8 GLN : amide:sc= -0.0209 X(o=-0.021,f=0) USER MOD Single : A 11 GLN : amide:sc=-0.00436 X(o=-0.0044,f=0) 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 36:sc= 0.663 USER MOD Single : A 30 SER OG : rot -38:sc= -0.111 USER MOD Single : A 35 GLN : amide:sc= -0.0107 X(o=-0.011,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 61:sc= 0.882 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 157:sc= -0.229 USER MOD Single : A 46 ASN : amide:sc= -8.1! C(o=-8.1!,f=-16!) USER MOD Single : A 50 LYS NZ :NH3+ -151:sc= -9.04! (180deg=-10.8!) USER MOD ----------------------------------------------------------------- ATOM 85 N VAL A 6 0.303 -12.015 34.634 1.00 0.00 N ATOM 86 CA VAL A 6 0.953 -12.187 33.345 1.00 0.00 C ATOM 87 C VAL A 6 1.210 -10.813 32.722 1.00 0.00 C ATOM 88 O VAL A 6 2.327 -10.520 32.298 1.00 0.00 O ATOM 89 CB VAL A 6 0.111 -13.100 32.453 1.00 0.00 C ATOM 90 CG1 VAL A 6 0.657 -13.125 31.024 1.00 0.00 C ATOM 91 CG2 VAL A 6 0.031 -14.513 33.034 1.00 0.00 C ATOM 0 HA VAL A 6 1.920 -12.675 33.466 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.900 -12.695 32.419 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.040 -13.782 30.410 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.638 -12.117 30.609 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.683 -13.494 31.033 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.574 -15.142 32.380 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.034 -14.931 33.113 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.425 -14.474 34.023 1.00 0.00 H new ATOM 101 N ILE A 7 0.159 -10.008 32.685 1.00 0.00 N ATOM 102 CA ILE A 7 0.257 -8.674 32.120 1.00 0.00 C ATOM 103 C ILE A 7 1.244 -7.847 32.947 1.00 0.00 C ATOM 104 O ILE A 7 1.835 -6.893 32.442 1.00 0.00 O ATOM 105 CB ILE A 7 -1.129 -8.038 32.000 1.00 0.00 C ATOM 106 CG1 ILE A 7 -1.843 -8.022 33.354 1.00 0.00 C ATOM 107 CG2 ILE A 7 -1.961 -8.735 30.922 1.00 0.00 C ATOM 108 CD1 ILE A 7 -2.923 -6.939 33.391 1.00 0.00 C ATOM 0 H ILE A 7 -0.766 -10.255 33.038 1.00 0.00 H new ATOM 0 HA ILE A 7 0.649 -8.719 31.104 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.003 -7.001 31.689 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.293 -8.996 33.543 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.119 -7.846 34.149 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.942 -8.263 30.857 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.454 -8.652 29.961 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.081 -9.788 31.179 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.415 -6.949 34.364 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.466 -5.963 33.225 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.659 -7.132 32.610 1.00 0.00 H new ATOM 119 N GLN A 8 1.391 -8.242 34.202 1.00 0.00 N ATOM 120 CA GLN A 8 2.295 -7.548 35.105 1.00 0.00 C ATOM 121 C GLN A 8 3.745 -7.734 34.649 1.00 0.00 C ATOM 122 O GLN A 8 4.465 -6.758 34.447 1.00 0.00 O ATOM 123 CB GLN A 8 2.109 -8.028 36.545 1.00 0.00 C ATOM 124 CG GLN A 8 2.121 -6.850 37.521 1.00 0.00 C ATOM 125 CD GLN A 8 1.093 -7.050 38.636 1.00 0.00 C ATOM 126 OE1 GLN A 8 1.133 -8.010 39.388 1.00 0.00 O ATOM 127 NE2 GLN A 8 0.170 -6.094 38.699 1.00 0.00 N ATOM 0 H GLN A 8 0.900 -9.034 34.616 1.00 0.00 H new ATOM 0 HA GLN A 8 2.058 -6.484 35.078 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.167 -8.568 36.633 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.903 -8.728 36.804 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.116 -6.742 37.954 1.00 0.00 H new ATOM 0 HG3 GLN A 8 1.905 -5.926 36.984 1.00 0.00 H new ATOM 0 HE21 GLN A 8 0.194 -5.317 38.038 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -0.562 -6.138 39.408 1.00 0.00 H new ATOM 134 N ALA A 9 4.128 -8.993 34.500 1.00 0.00 N ATOM 135 CA ALA A 9 5.478 -9.320 34.073 1.00 0.00 C ATOM 136 C ALA A 9 5.719 -8.744 32.676 1.00 0.00 C ATOM 137 O ALA A 9 6.758 -8.139 32.420 1.00 0.00 O ATOM 138 CB ALA A 9 5.677 -10.835 34.120 1.00 0.00 C ATOM 0 H ALA A 9 3.527 -9.800 34.667 1.00 0.00 H new ATOM 0 HA ALA A 9 6.211 -8.875 34.746 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.690 -11.079 33.800 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.523 -11.191 35.139 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.960 -11.317 33.455 1.00 0.00 H new ATOM 144 N ILE A 10 4.739 -8.952 31.808 1.00 0.00 N ATOM 145 CA ILE A 10 4.832 -8.462 30.443 1.00 0.00 C ATOM 146 C ILE A 10 5.124 -6.961 30.464 1.00 0.00 C ATOM 147 O ILE A 10 5.854 -6.455 29.613 1.00 0.00 O ATOM 148 CB ILE A 10 3.574 -8.832 29.655 1.00 0.00 C ATOM 149 CG1 ILE A 10 3.407 -10.351 29.570 1.00 0.00 C ATOM 150 CG2 ILE A 10 3.581 -8.178 28.271 1.00 0.00 C ATOM 151 CD1 ILE A 10 1.961 -10.725 29.234 1.00 0.00 C ATOM 0 H ILE A 10 3.877 -9.453 32.024 1.00 0.00 H new ATOM 0 HA ILE A 10 5.660 -8.941 29.921 1.00 0.00 H new ATOM 0 HB ILE A 10 2.709 -8.442 30.191 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.077 -10.752 28.809 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.693 -10.806 30.518 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.676 -8.457 27.732 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.618 -7.094 28.381 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.454 -8.516 27.713 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.869 -11.810 29.179 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.297 -10.343 30.009 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.686 -10.289 28.274 1.00 0.00 H new ATOM 162 N GLN A 11 4.540 -6.289 31.447 1.00 0.00 N ATOM 163 CA GLN A 11 4.729 -4.856 31.590 1.00 0.00 C ATOM 164 C GLN A 11 6.211 -4.534 31.792 1.00 0.00 C ATOM 165 O GLN A 11 6.697 -3.507 31.320 1.00 0.00 O ATOM 166 CB GLN A 11 3.886 -4.304 32.741 1.00 0.00 C ATOM 167 CG GLN A 11 2.721 -3.465 32.213 1.00 0.00 C ATOM 168 CD GLN A 11 2.450 -2.267 33.126 1.00 0.00 C ATOM 169 OE1 GLN A 11 2.393 -2.380 34.340 1.00 0.00 O ATOM 170 NE2 GLN A 11 2.287 -1.118 32.478 1.00 0.00 N ATOM 0 H GLN A 11 3.936 -6.712 32.152 1.00 0.00 H new ATOM 0 HA GLN A 11 4.394 -4.371 30.673 1.00 0.00 H new ATOM 0 HB2 GLN A 11 3.502 -5.128 33.343 1.00 0.00 H new ATOM 0 HB3 GLN A 11 4.511 -3.695 33.395 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.947 -3.115 31.206 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.826 -4.083 32.142 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.347 -1.094 31.460 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.102 -0.261 32.999 1.00 0.00 H new ATOM 177 N LYS A 12 6.888 -5.431 32.493 1.00 0.00 N ATOM 178 CA LYS A 12 8.305 -5.255 32.764 1.00 0.00 C ATOM 179 C LYS A 12 9.075 -5.244 31.441 1.00 0.00 C ATOM 180 O LYS A 12 9.967 -4.421 31.245 1.00 0.00 O ATOM 181 CB LYS A 12 8.798 -6.314 33.753 1.00 0.00 C ATOM 182 CG LYS A 12 9.251 -5.670 35.064 1.00 0.00 C ATOM 183 CD LYS A 12 8.093 -5.581 36.060 1.00 0.00 C ATOM 184 CE LYS A 12 7.549 -4.153 36.143 1.00 0.00 C ATOM 185 NZ LYS A 12 8.194 -3.417 37.252 1.00 0.00 N ATOM 0 H LYS A 12 6.482 -6.282 32.882 1.00 0.00 H new ATOM 0 HA LYS A 12 8.484 -4.294 33.246 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.001 -7.030 33.952 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.625 -6.871 33.313 1.00 0.00 H new ATOM 0 HG2 LYS A 12 10.064 -6.252 35.497 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.643 -4.672 34.867 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.296 -6.261 35.758 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.430 -5.903 37.045 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.728 -3.634 35.201 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.470 -4.177 36.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.814 -2.450 37.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.002 -3.904 38.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.221 -3.378 37.092 1.00 0.00 H new ATOM 195 N SER A 13 8.702 -6.167 30.567 1.00 0.00 N ATOM 196 CA SER A 13 9.345 -6.274 29.270 1.00 0.00 C ATOM 197 C SER A 13 8.790 -5.209 28.321 1.00 0.00 C ATOM 198 O SER A 13 9.433 -4.858 27.333 1.00 0.00 O ATOM 199 CB SER A 13 9.152 -7.669 28.672 1.00 0.00 C ATOM 200 OG SER A 13 10.380 -8.226 28.211 1.00 0.00 O ATOM 0 H SER A 13 7.961 -6.848 30.733 1.00 0.00 H new ATOM 0 HA SER A 13 10.414 -6.111 29.405 1.00 0.00 H new ATOM 0 HB2 SER A 13 8.714 -8.328 29.422 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.445 -7.614 27.844 1.00 0.00 H new ATOM 0 HG SER A 13 10.215 -9.117 27.838 1.00 0.00 H new ATOM 205 N ASP A 14 7.604 -4.725 28.656 1.00 0.00 N ATOM 206 CA ASP A 14 6.955 -3.708 27.847 1.00 0.00 C ATOM 207 C ASP A 14 7.456 -2.326 28.274 1.00 0.00 C ATOM 208 O ASP A 14 7.434 -1.382 27.486 1.00 0.00 O ATOM 209 CB ASP A 14 5.437 -3.738 28.034 1.00 0.00 C ATOM 210 CG ASP A 14 4.623 -3.595 26.747 1.00 0.00 C ATOM 211 OD1 ASP A 14 4.898 -4.378 25.812 1.00 0.00 O ATOM 212 OD2 ASP A 14 3.745 -2.705 26.727 1.00 0.00 O ATOM 0 H ASP A 14 7.075 -5.018 29.477 1.00 0.00 H new ATOM 0 HA ASP A 14 7.193 -3.908 26.802 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.164 -4.677 28.516 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.154 -2.936 28.716 1.00 0.00 H new ATOM 216 N GLU A 15 7.897 -2.251 29.522 1.00 0.00 N ATOM 217 CA GLU A 15 8.402 -1.001 30.063 1.00 0.00 C ATOM 218 C GLU A 15 9.931 -0.989 30.031 1.00 0.00 C ATOM 219 O GLU A 15 10.547 0.075 29.979 1.00 0.00 O ATOM 220 CB GLU A 15 7.882 -0.769 31.483 1.00 0.00 C ATOM 221 CG GLU A 15 8.694 -1.570 32.503 1.00 0.00 C ATOM 222 CD GLU A 15 9.813 -0.717 33.104 1.00 0.00 C ATOM 223 OE1 GLU A 15 9.491 0.400 33.562 1.00 0.00 O ATOM 224 OE2 GLU A 15 10.966 -1.202 33.092 1.00 0.00 O ATOM 0 H GLU A 15 7.915 -3.036 30.173 1.00 0.00 H new ATOM 0 HA GLU A 15 8.038 -0.184 29.440 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.935 0.293 31.724 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.832 -1.058 31.541 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.037 -1.927 33.297 1.00 0.00 H new ATOM 0 HG3 GLU A 15 9.121 -2.450 32.023 1.00 0.00 H new ATOM 304 N ALA A 21 9.541 1.653 22.026 1.00 0.00 N ATOM 305 CA ALA A 21 8.693 0.476 22.113 1.00 0.00 C ATOM 306 C ALA A 21 7.247 0.912 22.356 1.00 0.00 C ATOM 307 O ALA A 21 6.321 0.365 21.758 1.00 0.00 O ATOM 308 CB ALA A 21 9.215 -0.450 23.213 1.00 0.00 C ATOM 0 HA ALA A 21 8.716 -0.084 21.178 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.579 -1.333 23.278 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.235 -0.754 22.979 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.204 0.076 24.167 1.00 0.00 H new ATOM 314 N TYR A 22 7.097 1.893 23.234 1.00 0.00 N ATOM 315 CA TYR A 22 5.779 2.408 23.562 1.00 0.00 C ATOM 316 C TYR A 22 4.984 2.731 22.295 1.00 0.00 C ATOM 317 O TYR A 22 3.756 2.666 22.296 1.00 0.00 O ATOM 318 CB TYR A 22 6.015 3.702 24.346 1.00 0.00 C ATOM 319 CG TYR A 22 4.789 4.196 25.115 1.00 0.00 C ATOM 320 CD1 TYR A 22 4.128 3.347 25.979 1.00 0.00 C ATOM 321 CD2 TYR A 22 4.344 5.491 24.946 1.00 0.00 C ATOM 322 CE1 TYR A 22 2.974 3.812 26.704 1.00 0.00 C ATOM 323 CE2 TYR A 22 3.190 5.956 25.670 1.00 0.00 C ATOM 324 CZ TYR A 22 2.561 5.094 26.513 1.00 0.00 C ATOM 325 OH TYR A 22 1.471 5.533 27.197 1.00 0.00 O ATOM 0 H TYR A 22 7.867 2.345 23.728 1.00 0.00 H new ATOM 0 HA TYR A 22 5.210 1.672 24.130 1.00 0.00 H new ATOM 0 HB2 TYR A 22 6.833 3.545 25.049 1.00 0.00 H new ATOM 0 HB3 TYR A 22 6.335 4.481 23.654 1.00 0.00 H new ATOM 0 HD1 TYR A 22 4.476 2.333 26.112 1.00 0.00 H new ATOM 0 HD2 TYR A 22 4.862 6.156 24.270 1.00 0.00 H new ATOM 0 HE1 TYR A 22 2.448 3.158 27.384 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.832 6.967 25.546 1.00 0.00 H new ATOM 0 HH TYR A 22 1.292 6.468 26.963 1.00 0.00 H new ATOM 334 N LEU A 23 5.719 3.072 21.246 1.00 0.00 N ATOM 335 CA LEU A 23 5.097 3.406 19.975 1.00 0.00 C ATOM 336 C LEU A 23 4.748 2.116 19.230 1.00 0.00 C ATOM 337 O LEU A 23 3.591 1.895 18.872 1.00 0.00 O ATOM 338 CB LEU A 23 5.991 4.355 19.175 1.00 0.00 C ATOM 339 CG LEU A 23 5.365 5.694 18.783 1.00 0.00 C ATOM 340 CD1 LEU A 23 6.384 6.592 18.079 1.00 0.00 C ATOM 341 CD2 LEU A 23 4.106 5.486 17.939 1.00 0.00 C ATOM 0 H LEU A 23 6.738 3.124 21.250 1.00 0.00 H new ATOM 0 HA LEU A 23 4.163 3.945 20.137 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.890 4.554 19.758 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.307 3.844 18.266 1.00 0.00 H new ATOM 0 HG LEU A 23 5.060 6.207 19.695 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.912 7.537 17.811 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.224 6.782 18.747 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.743 6.097 17.176 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.681 6.454 17.674 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.363 4.942 17.030 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.375 4.913 18.510 1.00 0.00 H new ATOM 352 N GLU A 24 5.768 1.297 19.018 1.00 0.00 N ATOM 353 CA GLU A 24 5.582 0.035 18.323 1.00 0.00 C ATOM 354 C GLU A 24 4.574 -0.842 19.070 1.00 0.00 C ATOM 355 O GLU A 24 3.898 -1.671 18.464 1.00 0.00 O ATOM 356 CB GLU A 24 6.916 -0.694 18.144 1.00 0.00 C ATOM 357 CG GLU A 24 7.675 -0.156 16.930 1.00 0.00 C ATOM 358 CD GLU A 24 7.033 -0.633 15.625 1.00 0.00 C ATOM 359 OE1 GLU A 24 7.325 -1.785 15.236 1.00 0.00 O ATOM 360 OE2 GLU A 24 6.264 0.165 15.047 1.00 0.00 O ATOM 0 H GLU A 24 6.726 1.483 19.315 1.00 0.00 H new ATOM 0 HA GLU A 24 5.184 0.246 17.331 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.524 -0.573 19.041 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.737 -1.762 18.022 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.686 0.934 16.957 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.713 -0.486 16.970 1.00 0.00 H new ATOM 365 N SER A 25 4.506 -0.625 20.375 1.00 0.00 N ATOM 366 CA SER A 25 3.592 -1.385 21.212 1.00 0.00 C ATOM 367 C SER A 25 2.146 -1.000 20.891 1.00 0.00 C ATOM 368 O SER A 25 1.331 -1.859 20.556 1.00 0.00 O ATOM 369 CB SER A 25 3.885 -1.157 22.696 1.00 0.00 C ATOM 370 OG SER A 25 5.257 -1.378 23.010 1.00 0.00 O ATOM 0 H SER A 25 5.068 0.065 20.873 1.00 0.00 H new ATOM 0 HA SER A 25 3.735 -2.445 21.000 1.00 0.00 H new ATOM 0 HB2 SER A 25 3.611 -0.137 22.967 1.00 0.00 H new ATOM 0 HB3 SER A 25 3.264 -1.824 23.295 1.00 0.00 H new ATOM 0 HG SER A 25 5.816 -1.080 22.262 1.00 0.00 H new ATOM 375 N GLU A 26 1.873 0.291 21.005 1.00 0.00 N ATOM 376 CA GLU A 26 0.539 0.800 20.731 1.00 0.00 C ATOM 377 C GLU A 26 0.161 0.540 19.271 1.00 0.00 C ATOM 378 O GLU A 26 -1.020 0.502 18.930 1.00 0.00 O ATOM 379 CB GLU A 26 0.442 2.290 21.065 1.00 0.00 C ATOM 380 CG GLU A 26 -0.972 2.658 21.520 1.00 0.00 C ATOM 381 CD GLU A 26 -1.329 4.085 21.098 1.00 0.00 C ATOM 382 OE1 GLU A 26 -0.538 4.993 21.436 1.00 0.00 O ATOM 383 OE2 GLU A 26 -2.386 4.236 20.447 1.00 0.00 O ATOM 0 H GLU A 26 2.552 1.000 21.283 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.169 0.271 21.369 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.157 2.538 21.850 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.712 2.881 20.190 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.690 1.958 21.092 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.045 2.566 22.604 1.00 0.00 H new ATOM 388 N VAL A 27 1.185 0.366 18.450 1.00 0.00 N ATOM 389 CA VAL A 27 0.975 0.109 17.035 1.00 0.00 C ATOM 390 C VAL A 27 0.606 -1.362 16.837 1.00 0.00 C ATOM 391 O VAL A 27 -0.335 -1.677 16.108 1.00 0.00 O ATOM 392 CB VAL A 27 2.213 0.527 16.238 1.00 0.00 C ATOM 393 CG1 VAL A 27 2.133 0.022 14.797 1.00 0.00 C ATOM 394 CG2 VAL A 27 2.403 2.044 16.278 1.00 0.00 C ATOM 0 H VAL A 27 2.163 0.398 18.737 1.00 0.00 H new ATOM 0 HA VAL A 27 0.145 0.706 16.658 1.00 0.00 H new ATOM 0 HB VAL A 27 3.084 0.068 16.706 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.025 0.333 14.253 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.068 -1.066 14.796 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.249 0.439 14.314 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.289 2.315 15.704 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.529 2.532 15.847 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.527 2.368 17.311 1.00 0.00 H new ATOM 404 N ALA A 28 1.363 -2.224 17.499 1.00 0.00 N ATOM 405 CA ALA A 28 1.126 -3.655 17.405 1.00 0.00 C ATOM 406 C ALA A 28 -0.075 -4.027 18.277 1.00 0.00 C ATOM 407 O ALA A 28 -0.683 -5.078 18.084 1.00 0.00 O ATOM 408 CB ALA A 28 2.395 -4.410 17.807 1.00 0.00 C ATOM 0 H ALA A 28 2.141 -1.959 18.103 1.00 0.00 H new ATOM 0 HA ALA A 28 0.889 -3.938 16.380 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.218 -5.483 17.737 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.210 -4.132 17.139 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.662 -4.153 18.832 1.00 0.00 H new ATOM 414 N ILE A 29 -0.380 -3.144 19.216 1.00 0.00 N ATOM 415 CA ILE A 29 -1.498 -3.367 20.118 1.00 0.00 C ATOM 416 C ILE A 29 -2.804 -3.024 19.398 1.00 0.00 C ATOM 417 O ILE A 29 -3.867 -3.523 19.762 1.00 0.00 O ATOM 418 CB ILE A 29 -1.294 -2.596 21.424 1.00 0.00 C ATOM 419 CG1 ILE A 29 -0.252 -3.284 22.309 1.00 0.00 C ATOM 420 CG2 ILE A 29 -2.623 -2.395 22.154 1.00 0.00 C ATOM 421 CD1 ILE A 29 -0.854 -4.495 23.025 1.00 0.00 C ATOM 0 H ILE A 29 0.127 -2.273 19.372 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.556 -4.418 20.401 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.907 -1.606 21.181 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.595 -3.601 21.700 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.131 -2.576 23.044 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.450 -1.845 23.079 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.306 -1.831 21.518 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.061 -3.366 22.386 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.093 -4.965 23.647 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.685 -4.171 23.651 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.214 -5.212 22.287 1.00 0.00 H new ATOM 432 N SER A 30 -2.681 -2.173 18.389 1.00 0.00 N ATOM 433 CA SER A 30 -3.839 -1.757 17.616 1.00 0.00 C ATOM 434 C SER A 30 -4.366 -2.933 16.792 1.00 0.00 C ATOM 435 O SER A 30 -5.554 -2.992 16.479 1.00 0.00 O ATOM 436 CB SER A 30 -3.496 -0.579 16.701 1.00 0.00 C ATOM 437 OG SER A 30 -2.578 -0.949 15.676 1.00 0.00 O ATOM 0 H SER A 30 -1.797 -1.761 18.089 1.00 0.00 H new ATOM 0 HA SER A 30 -4.614 -1.430 18.309 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.410 -0.194 16.248 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.070 0.229 17.295 1.00 0.00 H new ATOM 0 HG SER A 30 -1.918 -1.576 16.039 1.00 0.00 H new ATOM 442 N GLU A 31 -3.458 -3.840 16.463 1.00 0.00 N ATOM 443 CA GLU A 31 -3.818 -5.010 15.680 1.00 0.00 C ATOM 444 C GLU A 31 -4.863 -5.844 16.423 1.00 0.00 C ATOM 445 O GLU A 31 -5.715 -6.476 15.802 1.00 0.00 O ATOM 446 CB GLU A 31 -2.582 -5.848 15.348 1.00 0.00 C ATOM 447 CG GLU A 31 -1.410 -4.956 14.934 1.00 0.00 C ATOM 448 CD GLU A 31 -1.873 -3.840 13.995 1.00 0.00 C ATOM 449 OE1 GLU A 31 -2.498 -4.185 12.970 1.00 0.00 O ATOM 450 OE2 GLU A 31 -1.594 -2.668 14.326 1.00 0.00 O ATOM 0 H GLU A 31 -2.473 -3.788 16.724 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.252 -4.674 14.738 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.300 -6.446 16.215 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.816 -6.544 14.543 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.949 -4.521 15.821 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.647 -5.558 14.440 1.00 0.00 H new ATOM 455 N GLU A 32 -4.761 -5.820 17.745 1.00 0.00 N ATOM 456 CA GLU A 32 -5.687 -6.567 18.579 1.00 0.00 C ATOM 457 C GLU A 32 -6.981 -5.774 18.778 1.00 0.00 C ATOM 458 O GLU A 32 -8.029 -6.351 19.063 1.00 0.00 O ATOM 459 CB GLU A 32 -5.049 -6.921 19.924 1.00 0.00 C ATOM 460 CG GLU A 32 -4.198 -8.187 19.811 1.00 0.00 C ATOM 461 CD GLU A 32 -4.069 -8.885 21.167 1.00 0.00 C ATOM 462 OE1 GLU A 32 -5.105 -9.396 21.642 1.00 0.00 O ATOM 463 OE2 GLU A 32 -2.936 -8.890 21.697 1.00 0.00 O ATOM 0 H GLU A 32 -4.052 -5.296 18.258 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.931 -7.501 18.072 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.430 -6.092 20.266 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.828 -7.068 20.673 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.648 -8.868 19.089 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.208 -7.931 19.434 1.00 0.00 H new ATOM 468 N LEU A 33 -6.865 -4.465 18.619 1.00 0.00 N ATOM 469 CA LEU A 33 -8.012 -3.587 18.777 1.00 0.00 C ATOM 470 C LEU A 33 -9.118 -4.021 17.812 1.00 0.00 C ATOM 471 O LEU A 33 -10.281 -4.114 18.198 1.00 0.00 O ATOM 472 CB LEU A 33 -7.594 -2.124 18.615 1.00 0.00 C ATOM 473 CG LEU A 33 -7.664 -1.263 19.877 1.00 0.00 C ATOM 474 CD1 LEU A 33 -9.116 -0.997 20.280 1.00 0.00 C ATOM 475 CD2 LEU A 33 -6.859 -1.892 21.016 1.00 0.00 C ATOM 0 H LEU A 33 -5.994 -3.990 18.382 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.418 -3.669 19.785 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.572 -2.099 18.238 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.226 -1.668 17.853 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.209 -0.297 19.657 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.137 -0.383 21.180 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.628 -0.474 19.472 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.619 -1.944 20.475 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.926 -1.259 21.901 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.261 -2.879 21.244 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.816 -1.986 20.715 1.00 0.00 H new ATOM 486 N VAL A 34 -8.714 -4.274 16.575 1.00 0.00 N ATOM 487 CA VAL A 34 -9.656 -4.695 15.553 1.00 0.00 C ATOM 488 C VAL A 34 -10.311 -6.011 15.979 1.00 0.00 C ATOM 489 O VAL A 34 -11.438 -6.303 15.584 1.00 0.00 O ATOM 490 CB VAL A 34 -8.950 -4.791 14.199 1.00 0.00 C ATOM 491 CG1 VAL A 34 -7.707 -5.679 14.290 1.00 0.00 C ATOM 492 CG2 VAL A 34 -9.906 -5.295 13.116 1.00 0.00 C ATOM 0 H VAL A 34 -7.748 -4.195 16.258 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.451 -3.958 15.440 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.626 -3.789 13.919 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.224 -5.730 13.314 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.012 -5.259 15.017 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.998 -6.681 14.604 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -9.379 -5.354 12.164 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -10.275 -6.284 13.388 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.746 -4.607 13.023 1.00 0.00 H new ATOM 502 N GLN A 35 -9.577 -6.767 16.781 1.00 0.00 N ATOM 503 CA GLN A 35 -10.072 -8.044 17.267 1.00 0.00 C ATOM 504 C GLN A 35 -10.901 -7.845 18.536 1.00 0.00 C ATOM 505 O GLN A 35 -11.690 -8.711 18.910 1.00 0.00 O ATOM 506 CB GLN A 35 -8.920 -9.022 17.512 1.00 0.00 C ATOM 507 CG GLN A 35 -9.410 -10.470 17.460 1.00 0.00 C ATOM 508 CD GLN A 35 -8.490 -11.329 16.591 1.00 0.00 C ATOM 509 OE1 GLN A 35 -7.331 -11.552 16.899 1.00 0.00 O ATOM 510 NE2 GLN A 35 -9.069 -11.797 15.488 1.00 0.00 N ATOM 0 H GLN A 35 -8.643 -6.520 17.107 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.716 -8.476 16.501 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -8.143 -8.870 16.762 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.469 -8.822 18.484 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.451 -10.880 18.469 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.424 -10.500 17.062 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -10.044 -11.573 15.289 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -8.538 -12.380 14.841 1.00 0.00 H new ATOM 517 N LYS A 36 -10.695 -6.696 19.165 1.00 0.00 N ATOM 518 CA LYS A 36 -11.414 -6.371 20.385 1.00 0.00 C ATOM 519 C LYS A 36 -12.836 -5.930 20.031 1.00 0.00 C ATOM 520 O LYS A 36 -13.742 -6.024 20.857 1.00 0.00 O ATOM 521 CB LYS A 36 -10.637 -5.342 21.207 1.00 0.00 C ATOM 522 CG LYS A 36 -10.705 -5.668 22.700 1.00 0.00 C ATOM 523 CD LYS A 36 -11.049 -4.422 23.519 1.00 0.00 C ATOM 524 CE LYS A 36 -10.023 -4.195 24.630 1.00 0.00 C ATOM 525 NZ LYS A 36 -10.501 -4.780 25.903 1.00 0.00 N ATOM 0 H LYS A 36 -10.040 -5.979 18.852 1.00 0.00 H new ATOM 0 HA LYS A 36 -11.502 -7.251 21.022 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.597 -5.323 20.882 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.045 -4.347 21.030 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.455 -6.440 22.873 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.749 -6.073 23.031 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.081 -3.550 22.865 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.043 -4.531 23.954 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.070 -4.645 24.351 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.846 -3.127 24.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.793 -4.617 26.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.399 -4.332 26.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.647 -5.803 25.782 1.00 0.00 H new ATOM 535 N TYR A 37 -12.986 -5.458 18.803 1.00 0.00 N ATOM 536 CA TYR A 37 -14.282 -5.002 18.330 1.00 0.00 C ATOM 537 C TYR A 37 -15.342 -6.092 18.497 1.00 0.00 C ATOM 538 O TYR A 37 -16.464 -5.813 18.917 1.00 0.00 O ATOM 539 CB TYR A 37 -14.106 -4.702 16.839 1.00 0.00 C ATOM 540 CG TYR A 37 -14.845 -5.675 15.918 1.00 0.00 C ATOM 541 CD1 TYR A 37 -14.296 -6.909 15.635 1.00 0.00 C ATOM 542 CD2 TYR A 37 -16.060 -5.318 15.370 1.00 0.00 C ATOM 543 CE1 TYR A 37 -14.991 -7.824 14.768 1.00 0.00 C ATOM 544 CE2 TYR A 37 -16.755 -6.234 14.503 1.00 0.00 C ATOM 545 CZ TYR A 37 -16.187 -7.441 14.245 1.00 0.00 C ATOM 546 OH TYR A 37 -16.844 -8.307 13.426 1.00 0.00 O ATOM 0 H TYR A 37 -12.232 -5.381 18.121 1.00 0.00 H new ATOM 0 HA TYR A 37 -14.611 -4.130 18.896 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -14.457 -3.690 16.638 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -13.043 -4.724 16.597 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -13.345 -7.188 16.064 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -16.490 -4.352 15.591 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -14.572 -8.793 14.538 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -17.707 -5.967 14.067 1.00 0.00 H new ATOM 0 HH TYR A 37 -17.685 -7.901 13.127 1.00 0.00 H new ATOM 555 N SER A 38 -14.949 -7.311 18.159 1.00 0.00 N ATOM 556 CA SER A 38 -15.851 -8.445 18.268 1.00 0.00 C ATOM 557 C SER A 38 -16.391 -8.551 19.695 1.00 0.00 C ATOM 558 O SER A 38 -17.576 -8.811 19.898 1.00 0.00 O ATOM 559 CB SER A 38 -15.152 -9.746 17.867 1.00 0.00 C ATOM 560 OG SER A 38 -15.700 -10.300 16.674 1.00 0.00 O ATOM 0 H SER A 38 -14.018 -7.538 17.809 1.00 0.00 H new ATOM 0 HA SER A 38 -16.684 -8.285 17.583 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.088 -9.557 17.724 1.00 0.00 H new ATOM 0 HB3 SER A 38 -15.241 -10.470 18.677 1.00 0.00 H new ATOM 0 HG SER A 38 -15.581 -9.667 15.935 1.00 0.00 H new ATOM 565 N ASN A 39 -15.495 -8.344 20.649 1.00 0.00 N ATOM 566 CA ASN A 39 -15.865 -8.412 22.053 1.00 0.00 C ATOM 567 C ASN A 39 -16.472 -7.075 22.481 1.00 0.00 C ATOM 568 O ASN A 39 -17.595 -7.030 22.981 1.00 0.00 O ATOM 569 CB ASN A 39 -14.643 -8.681 22.933 1.00 0.00 C ATOM 570 CG ASN A 39 -14.894 -9.862 23.873 1.00 0.00 C ATOM 571 OD1 ASN A 39 -14.511 -10.990 23.610 1.00 0.00 O ATOM 572 ND2 ASN A 39 -15.556 -9.540 24.980 1.00 0.00 N ATOM 0 H ASN A 39 -14.513 -8.129 20.477 1.00 0.00 H new ATOM 0 HA ASN A 39 -16.581 -9.225 22.174 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -13.777 -8.889 22.305 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -14.407 -7.791 23.516 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -15.772 -10.258 25.672 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -15.847 -8.575 25.138 1.00 0.00 H new ATOM 578 N SER A 40 -15.701 -6.018 22.271 1.00 0.00 N ATOM 579 CA SER A 40 -16.149 -4.682 22.629 1.00 0.00 C ATOM 580 C SER A 40 -17.591 -4.471 22.164 1.00 0.00 C ATOM 581 O SER A 40 -18.333 -3.696 22.764 1.00 0.00 O ATOM 582 CB SER A 40 -15.234 -3.614 22.026 1.00 0.00 C ATOM 583 OG SER A 40 -14.224 -3.200 22.941 1.00 0.00 O ATOM 0 H SER A 40 -14.769 -6.059 21.858 1.00 0.00 H new ATOM 0 HA SER A 40 -16.107 -4.587 23.714 1.00 0.00 H new ATOM 0 HB2 SER A 40 -14.767 -4.005 21.122 1.00 0.00 H new ATOM 0 HB3 SER A 40 -15.830 -2.751 21.729 1.00 0.00 H new ATOM 0 HG SER A 40 -13.467 -2.824 22.445 1.00 0.00 H new ATOM 588 N ALA A 41 -17.944 -5.174 21.097 1.00 0.00 N ATOM 589 CA ALA A 41 -19.284 -5.072 20.544 1.00 0.00 C ATOM 590 C ALA A 41 -20.308 -5.232 21.669 1.00 0.00 C ATOM 591 O ALA A 41 -20.653 -4.263 22.342 1.00 0.00 O ATOM 592 CB ALA A 41 -19.460 -6.117 19.440 1.00 0.00 C ATOM 0 H ALA A 41 -17.326 -5.816 20.601 1.00 0.00 H new ATOM 0 HA ALA A 41 -19.441 -4.092 20.093 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -20.465 -6.042 19.024 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -18.727 -5.941 18.652 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -19.313 -7.114 19.856 1.00 0.00 H new ATOM 598 N LEU A 42 -20.767 -6.464 21.837 1.00 0.00 N ATOM 599 CA LEU A 42 -21.746 -6.764 22.868 1.00 0.00 C ATOM 600 C LEU A 42 -22.643 -5.544 23.083 1.00 0.00 C ATOM 601 O LEU A 42 -22.681 -4.981 24.177 1.00 0.00 O ATOM 602 CB LEU A 42 -21.051 -7.248 24.142 1.00 0.00 C ATOM 603 CG LEU A 42 -20.751 -8.747 24.214 1.00 0.00 C ATOM 604 CD1 LEU A 42 -19.424 -9.007 24.929 1.00 0.00 C ATOM 605 CD2 LEU A 42 -21.910 -9.507 24.864 1.00 0.00 C ATOM 0 H LEU A 42 -20.479 -7.266 21.276 1.00 0.00 H new ATOM 0 HA LEU A 42 -22.392 -7.584 22.553 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -20.112 -6.704 24.249 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -21.674 -6.981 24.996 1.00 0.00 H new ATOM 0 HG LEU A 42 -20.648 -9.124 23.196 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -19.235 -10.080 24.966 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -18.616 -8.515 24.387 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -19.474 -8.612 25.944 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -21.672 -10.570 24.903 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -22.068 -9.133 25.876 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -22.816 -9.360 24.277 1.00 0.00 H new ATOM 616 N GLY A 43 -23.345 -5.170 22.023 1.00 0.00 N ATOM 617 CA GLY A 43 -24.239 -4.027 22.082 1.00 0.00 C ATOM 618 C GLY A 43 -23.853 -2.973 21.042 1.00 0.00 C ATOM 619 O GLY A 43 -24.372 -2.977 19.927 1.00 0.00 O ATOM 0 H GLY A 43 -23.312 -5.639 21.118 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -25.264 -4.354 21.910 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -24.208 -3.588 23.079 1.00 0.00 H new ATOM 623 N HIS A 44 -22.944 -2.097 21.444 1.00 0.00 N ATOM 624 CA HIS A 44 -22.482 -1.040 20.561 1.00 0.00 C ATOM 625 C HIS A 44 -21.261 -0.353 21.176 1.00 0.00 C ATOM 626 O HIS A 44 -21.402 0.543 22.007 1.00 0.00 O ATOM 627 CB HIS A 44 -23.615 -0.062 20.244 1.00 0.00 C ATOM 628 CG HIS A 44 -23.153 1.352 19.988 1.00 0.00 C ATOM 629 ND1 HIS A 44 -22.692 1.948 18.851 1.00 0.00 N flip ATOM 630 CD2 HIS A 44 -23.133 2.324 20.973 1.00 0.00 C flip ATOM 631 CE1 HIS A 44 -22.408 3.215 19.126 1.00 0.00 C flip ATOM 632 NE2 HIS A 44 -22.680 3.449 20.441 1.00 0.00 N flip ATOM 0 H HIS A 44 -22.515 -2.098 22.369 1.00 0.00 H new ATOM 0 HA HIS A 44 -22.172 -1.468 19.608 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -24.156 -0.421 19.368 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -24.320 -0.058 21.075 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -23.435 2.188 22.001 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -22.025 3.941 18.424 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -22.556 4.336 20.930 1.00 0.00 H new ATOM 640 N VAL A 45 -20.091 -0.800 20.746 1.00 0.00 N ATOM 641 CA VAL A 45 -18.846 -0.240 21.246 1.00 0.00 C ATOM 642 C VAL A 45 -17.739 -0.470 20.215 1.00 0.00 C ATOM 643 O VAL A 45 -16.895 0.398 20.001 1.00 0.00 O ATOM 644 CB VAL A 45 -18.519 -0.832 22.617 1.00 0.00 C ATOM 645 CG1 VAL A 45 -17.900 0.223 23.537 1.00 0.00 C ATOM 646 CG2 VAL A 45 -19.761 -1.456 23.257 1.00 0.00 C ATOM 0 H VAL A 45 -19.978 -1.544 20.057 1.00 0.00 H new ATOM 0 HA VAL A 45 -18.941 0.837 21.387 1.00 0.00 H new ATOM 0 HB VAL A 45 -17.784 -1.624 22.472 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -17.677 -0.225 24.506 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -16.980 0.600 23.091 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -18.602 1.046 23.671 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -19.500 -1.869 24.231 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -20.529 -0.692 23.381 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -20.140 -2.251 22.615 1.00 0.00 H new ATOM 656 N ASN A 46 -17.777 -1.646 19.605 1.00 0.00 N ATOM 657 CA ASN A 46 -16.787 -2.001 18.602 1.00 0.00 C ATOM 658 C ASN A 46 -16.745 -0.914 17.526 1.00 0.00 C ATOM 659 O ASN A 46 -15.764 -0.800 16.793 1.00 0.00 O ATOM 660 CB ASN A 46 -17.142 -3.325 17.924 1.00 0.00 C ATOM 661 CG ASN A 46 -18.217 -3.122 16.853 1.00 0.00 C ATOM 662 OD1 ASN A 46 -17.944 -2.743 15.726 1.00 0.00 O ATOM 663 ND2 ASN A 46 -19.451 -3.396 17.267 1.00 0.00 N ATOM 0 H ASN A 46 -18.478 -2.365 19.786 1.00 0.00 H new ATOM 0 HA ASN A 46 -15.822 -2.098 19.099 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -16.249 -3.757 17.471 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -17.497 -4.036 18.670 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -20.238 -3.293 16.627 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -19.610 -3.709 18.225 1.00 0.00 H new ATOM 669 N CYS A 47 -17.821 -0.145 17.466 1.00 0.00 N ATOM 670 CA CYS A 47 -17.920 0.929 16.491 1.00 0.00 C ATOM 671 C CYS A 47 -17.142 2.134 17.023 1.00 0.00 C ATOM 672 O CYS A 47 -16.535 2.876 16.253 1.00 0.00 O ATOM 673 CB CYS A 47 -19.376 1.281 16.181 1.00 0.00 C ATOM 674 SG CYS A 47 -20.065 2.324 17.518 1.00 0.00 S ATOM 0 H CYS A 47 -18.632 -0.243 18.076 1.00 0.00 H new ATOM 0 HA CYS A 47 -17.485 0.605 15.545 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -19.437 1.808 15.229 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -19.965 0.370 16.079 1.00 0.00 H new ATOM 0 HG CYS A 47 -21.102 1.736 18.036 1.00 0.00 H new ATOM 679 N THR A 48 -17.186 2.292 18.338 1.00 0.00 N ATOM 680 CA THR A 48 -16.492 3.394 18.983 1.00 0.00 C ATOM 681 C THR A 48 -15.032 3.023 19.249 1.00 0.00 C ATOM 682 O THR A 48 -14.156 3.887 19.232 1.00 0.00 O ATOM 683 CB THR A 48 -17.267 3.762 20.251 1.00 0.00 C ATOM 684 OG1 THR A 48 -18.520 4.238 19.766 1.00 0.00 O ATOM 685 CG2 THR A 48 -16.665 4.969 20.975 1.00 0.00 C ATOM 0 H THR A 48 -17.691 1.675 18.974 1.00 0.00 H new ATOM 0 HA THR A 48 -16.458 4.272 18.338 1.00 0.00 H new ATOM 0 HB THR A 48 -17.287 2.906 20.926 1.00 0.00 H new ATOM 0 HG1 THR A 48 -18.948 3.541 19.227 1.00 0.00 H new ATOM 0 HG21 THR A 48 -17.252 5.188 21.867 1.00 0.00 H new ATOM 0 HG22 THR A 48 -15.638 4.746 21.262 1.00 0.00 H new ATOM 0 HG23 THR A 48 -16.676 5.834 20.312 1.00 0.00 H new ATOM 693 N ILE A 49 -14.816 1.739 19.490 1.00 0.00 N ATOM 694 CA ILE A 49 -13.477 1.243 19.759 1.00 0.00 C ATOM 695 C ILE A 49 -12.618 1.395 18.502 1.00 0.00 C ATOM 696 O ILE A 49 -11.449 1.768 18.586 1.00 0.00 O ATOM 697 CB ILE A 49 -13.533 -0.189 20.296 1.00 0.00 C ATOM 698 CG1 ILE A 49 -13.558 -1.203 19.151 1.00 0.00 C ATOM 699 CG2 ILE A 49 -14.717 -0.371 21.249 1.00 0.00 C ATOM 700 CD1 ILE A 49 -12.170 -1.357 18.524 1.00 0.00 C ATOM 0 H ILE A 49 -15.546 1.026 19.505 1.00 0.00 H new ATOM 0 HA ILE A 49 -13.003 1.834 20.542 1.00 0.00 H new ATOM 0 HB ILE A 49 -12.625 -0.374 20.871 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.902 -2.168 19.523 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -14.270 -0.882 18.391 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -14.734 -1.397 21.616 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -14.615 0.314 22.091 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -15.646 -0.160 20.720 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -12.216 -2.084 17.713 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -11.839 -0.395 18.132 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -11.465 -1.702 19.281 1.00 0.00 H new ATOM 711 N LYS A 50 -13.232 1.098 17.366 1.00 0.00 N ATOM 712 CA LYS A 50 -12.539 1.198 16.092 1.00 0.00 C ATOM 713 C LYS A 50 -12.304 2.671 15.758 1.00 0.00 C ATOM 714 O LYS A 50 -11.263 3.030 15.210 1.00 0.00 O ATOM 715 CB LYS A 50 -13.301 0.434 15.008 1.00 0.00 C ATOM 716 CG LYS A 50 -12.652 -0.923 14.732 1.00 0.00 C ATOM 717 CD LYS A 50 -13.711 -2.014 14.558 1.00 0.00 C ATOM 718 CE LYS A 50 -13.061 -3.372 14.289 1.00 0.00 C ATOM 719 NZ LYS A 50 -12.354 -3.360 12.989 1.00 0.00 N ATOM 0 H LYS A 50 -14.202 0.788 17.301 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.558 0.726 16.153 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -14.335 0.289 15.320 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -13.324 1.023 14.091 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.039 -0.860 13.833 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.986 -1.185 15.554 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.328 -2.073 15.455 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -14.374 -1.754 13.732 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.360 -3.611 15.089 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.822 -4.152 14.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.349 -4.319 12.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.840 -2.714 12.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.375 -3.038 13.129 1.00 0.00 H new ATOM 729 N GLU A 51 -13.289 3.489 16.103 1.00 0.00 N ATOM 730 CA GLU A 51 -13.202 4.916 15.846 1.00 0.00 C ATOM 731 C GLU A 51 -11.974 5.506 16.542 1.00 0.00 C ATOM 732 O GLU A 51 -11.502 6.579 16.169 1.00 0.00 O ATOM 733 CB GLU A 51 -14.480 5.631 16.289 1.00 0.00 C ATOM 734 CG GLU A 51 -15.130 6.369 15.117 1.00 0.00 C ATOM 735 CD GLU A 51 -16.134 7.412 15.614 1.00 0.00 C ATOM 736 OE1 GLU A 51 -17.003 7.022 16.423 1.00 0.00 O ATOM 737 OE2 GLU A 51 -16.009 8.574 15.173 1.00 0.00 O ATOM 0 H GLU A 51 -14.151 3.190 16.558 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.094 5.067 14.772 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.182 4.906 16.701 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.248 6.338 17.085 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.361 6.856 14.518 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -15.635 5.654 14.467 1.00 0.00 H new ATOM 742 N LEU A 52 -11.492 4.779 17.538 1.00 0.00 N ATOM 743 CA LEU A 52 -10.327 5.218 18.289 1.00 0.00 C ATOM 744 C LEU A 52 -9.074 4.555 17.711 1.00 0.00 C ATOM 745 O LEU A 52 -8.125 5.239 17.332 1.00 0.00 O ATOM 746 CB LEU A 52 -10.525 4.961 19.784 1.00 0.00 C ATOM 747 CG LEU A 52 -10.275 6.154 20.708 1.00 0.00 C ATOM 748 CD1 LEU A 52 -8.844 6.675 20.556 1.00 0.00 C ATOM 749 CD2 LEU A 52 -11.312 7.254 20.478 1.00 0.00 C ATOM 0 H LEU A 52 -11.886 3.889 17.843 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.193 6.295 18.190 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.546 4.613 19.941 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.862 4.149 20.084 1.00 0.00 H new ATOM 0 HG LEU A 52 -10.388 5.816 21.738 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.693 7.523 21.224 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.140 5.883 20.810 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.679 6.991 19.526 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -11.110 8.090 21.148 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -11.257 7.596 19.444 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -12.309 6.861 20.677 1.00 0.00 H new ATOM 760 N ARG A 53 -9.112 3.232 17.664 1.00 0.00 N ATOM 761 CA ARG A 53 -7.992 2.469 17.140 1.00 0.00 C ATOM 762 C ARG A 53 -7.708 2.871 15.690 1.00 0.00 C ATOM 763 O ARG A 53 -6.687 3.494 15.404 1.00 0.00 O ATOM 764 CB ARG A 53 -8.272 0.967 17.200 1.00 0.00 C ATOM 765 CG ARG A 53 -7.254 0.185 16.366 1.00 0.00 C ATOM 766 CD ARG A 53 -7.929 -0.493 15.172 1.00 0.00 C ATOM 767 NE ARG A 53 -6.970 -1.394 14.495 1.00 0.00 N ATOM 768 CZ ARG A 53 -5.925 -0.971 13.770 1.00 0.00 C ATOM 769 NH1 ARG A 53 -5.698 0.341 13.623 1.00 0.00 N ATOM 770 NH2 ARG A 53 -5.108 -1.862 13.190 1.00 0.00 N ATOM 0 H ARG A 53 -9.901 2.668 17.980 1.00 0.00 H new ATOM 0 HA ARG A 53 -7.122 2.689 17.759 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.236 0.628 18.235 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.279 0.766 16.833 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.473 0.859 16.013 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.769 -0.566 16.989 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.798 -1.059 15.508 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.290 0.260 14.472 1.00 0.00 H new ATOM 0 HE ARG A 53 -7.113 -2.400 14.586 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.321 1.019 14.063 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.903 0.662 13.071 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.282 -2.861 13.301 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.313 -1.541 12.638 1.00 0.00 H new ATOM 781 N ARG A 54 -8.631 2.497 14.815 1.00 0.00 N ATOM 782 CA ARG A 54 -8.493 2.812 13.404 1.00 0.00 C ATOM 783 C ARG A 54 -8.954 4.244 13.131 1.00 0.00 C ATOM 784 O ARG A 54 -8.204 5.046 12.575 1.00 0.00 O ATOM 785 CB ARG A 54 -9.312 1.846 12.543 1.00 0.00 C ATOM 786 CG ARG A 54 -8.416 1.105 11.548 1.00 0.00 C ATOM 787 CD ARG A 54 -8.288 1.886 10.238 1.00 0.00 C ATOM 788 NE ARG A 54 -8.210 0.948 9.095 1.00 0.00 N ATOM 789 CZ ARG A 54 -8.174 1.331 7.812 1.00 0.00 C ATOM 790 NH1 ARG A 54 -8.209 2.633 7.499 1.00 0.00 N ATOM 791 NH2 ARG A 54 -8.103 0.410 6.841 1.00 0.00 N ATOM 0 H ARG A 54 -9.476 1.979 15.056 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.440 2.711 13.143 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.823 1.127 13.183 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.082 2.397 12.004 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -7.428 0.955 11.984 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.829 0.116 11.347 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -9.143 2.550 10.116 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -7.398 2.514 10.265 1.00 0.00 H new ATOM 0 HE ARG A 54 -8.182 -0.051 9.297 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -8.263 3.334 8.238 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.182 2.923 6.522 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.076 -0.581 7.079 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -8.076 0.700 5.864 1.00 0.00 H new ATOM 802 N LEU A 55 -10.184 4.523 13.533 1.00 0.00 N ATOM 803 CA LEU A 55 -10.755 5.846 13.338 1.00 0.00 C ATOM 804 C LEU A 55 -11.429 5.909 11.967 1.00 0.00 C ATOM 805 O LEU A 55 -11.617 6.991 11.413 1.00 0.00 O ATOM 806 CB LEU A 55 -9.690 6.923 13.550 1.00 0.00 C ATOM 807 CG LEU A 55 -10.190 8.262 14.095 1.00 0.00 C ATOM 808 CD1 LEU A 55 -9.545 8.580 15.445 1.00 0.00 C ATOM 809 CD2 LEU A 55 -9.974 9.385 13.079 1.00 0.00 C ATOM 0 H LEU A 55 -10.803 3.856 13.994 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.528 6.042 14.082 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.938 6.532 14.235 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.190 7.104 12.598 1.00 0.00 H new ATOM 0 HG LEU A 55 -11.264 8.181 14.261 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.918 9.537 15.810 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.794 7.797 16.161 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.463 8.633 15.328 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.339 10.325 13.493 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.911 9.475 12.856 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.519 9.157 12.163 1.00 0.00 H new ATOM 820 N PHE A 56 -11.775 4.735 11.459 1.00 0.00 N ATOM 821 CA PHE A 56 -12.425 4.643 10.162 1.00 0.00 C ATOM 822 C PHE A 56 -13.242 3.354 10.049 1.00 0.00 C ATOM 823 O PHE A 56 -14.364 3.368 9.542 1.00 0.00 O ATOM 824 CB PHE A 56 -11.318 4.626 9.107 1.00 0.00 C ATOM 825 CG PHE A 56 -10.895 6.016 8.627 1.00 0.00 C ATOM 826 CD1 PHE A 56 -11.799 6.833 8.024 1.00 0.00 C ATOM 827 CD2 PHE A 56 -9.613 6.434 8.803 1.00 0.00 C ATOM 828 CE1 PHE A 56 -11.406 8.122 7.579 1.00 0.00 C ATOM 829 CE2 PHE A 56 -9.220 7.724 8.358 1.00 0.00 C ATOM 830 CZ PHE A 56 -10.125 8.541 7.756 1.00 0.00 C ATOM 0 H PHE A 56 -11.618 3.840 11.922 1.00 0.00 H new ATOM 0 HA PHE A 56 -13.104 5.485 10.025 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -10.447 4.114 9.517 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -11.656 4.044 8.250 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -12.817 6.501 7.884 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.894 5.785 9.281 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -12.125 8.770 7.100 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -8.202 8.056 8.498 1.00 0.00 H new ATOM 0 HZ PHE A 56 -9.826 9.522 7.419 1.00 0.00 H new ATOM 839 N LEU A 57 -12.649 2.271 10.527 1.00 0.00 N ATOM 840 CA LEU A 57 -13.307 0.976 10.485 1.00 0.00 C ATOM 841 C LEU A 57 -14.752 1.128 10.965 1.00 0.00 C ATOM 842 O LEU A 57 -15.631 0.377 10.544 1.00 0.00 O ATOM 843 CB LEU A 57 -12.502 -0.059 11.274 1.00 0.00 C ATOM 844 CG LEU A 57 -12.189 -1.365 10.541 1.00 0.00 C ATOM 845 CD1 LEU A 57 -13.473 -2.066 10.095 1.00 0.00 C ATOM 846 CD2 LEU A 57 -11.233 -1.121 9.371 1.00 0.00 C ATOM 0 H LEU A 57 -11.719 2.263 10.946 1.00 0.00 H new ATOM 0 HA LEU A 57 -13.348 0.602 9.462 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -11.561 0.398 11.579 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -13.050 -0.299 12.185 1.00 0.00 H new ATOM 0 HG LEU A 57 -11.683 -2.034 11.237 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -13.221 -2.991 9.577 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -14.085 -2.294 10.968 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -14.029 -1.413 9.422 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -11.027 -2.065 8.867 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -11.690 -0.426 8.667 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -10.301 -0.698 9.745 1.00 0.00 H new ATOM 857 N VAL A 58 -14.952 2.104 11.838 1.00 0.00 N ATOM 858 CA VAL A 58 -16.276 2.363 12.378 1.00 0.00 C ATOM 859 C VAL A 58 -17.035 1.042 12.512 1.00 0.00 C ATOM 860 O VAL A 58 -18.011 0.808 11.799 1.00 0.00 O ATOM 861 CB VAL A 58 -17.005 3.388 11.508 1.00 0.00 C ATOM 862 CG1 VAL A 58 -17.217 2.851 10.091 1.00 0.00 C ATOM 863 CG2 VAL A 58 -18.336 3.800 12.142 1.00 0.00 C ATOM 0 H VAL A 58 -14.220 2.724 12.185 1.00 0.00 H new ATOM 0 HA VAL A 58 -16.204 2.798 13.375 1.00 0.00 H new ATOM 0 HB VAL A 58 -16.377 4.276 11.441 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -17.737 3.599 9.493 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -16.251 2.631 9.637 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -17.814 1.940 10.133 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -18.833 4.529 11.503 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -18.973 2.922 12.254 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -18.151 4.242 13.121 1.00 0.00 H new ATOM 873 N ASP A 59 -16.561 0.214 13.429 1.00 0.00 N ATOM 874 CA ASP A 59 -17.183 -1.078 13.665 1.00 0.00 C ATOM 875 C ASP A 59 -17.057 -1.938 12.406 1.00 0.00 C ATOM 876 O ASP A 59 -17.726 -1.683 11.405 1.00 0.00 O ATOM 877 CB ASP A 59 -18.672 -0.922 13.983 1.00 0.00 C ATOM 878 CG ASP A 59 -19.565 -2.053 13.470 1.00 0.00 C ATOM 879 OD1 ASP A 59 -19.955 -1.974 12.284 1.00 0.00 O ATOM 880 OD2 ASP A 59 -19.837 -2.971 14.273 1.00 0.00 O ATOM 0 H ASP A 59 -15.753 0.412 14.019 1.00 0.00 H new ATOM 0 HA ASP A 59 -16.680 -1.545 14.512 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -18.791 -0.847 15.064 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -19.022 0.018 13.558 1.00 0.00 H new ATOM 884 N ASP A 60 -16.193 -2.939 12.496 1.00 0.00 N ATOM 885 CA ASP A 60 -15.970 -3.838 11.377 1.00 0.00 C ATOM 886 C ASP A 60 -17.310 -4.415 10.916 1.00 0.00 C ATOM 887 O ASP A 60 -17.846 -5.329 11.544 1.00 0.00 O ATOM 888 CB ASP A 60 -15.067 -5.005 11.779 1.00 0.00 C ATOM 889 CG ASP A 60 -14.738 -5.986 10.653 1.00 0.00 C ATOM 890 OD1 ASP A 60 -15.587 -6.870 10.403 1.00 0.00 O ATOM 891 OD2 ASP A 60 -13.645 -5.832 10.067 1.00 0.00 O ATOM 0 H ASP A 60 -15.639 -3.147 13.327 1.00 0.00 H new ATOM 0 HA ASP A 60 -15.492 -3.270 10.579 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -14.134 -4.603 12.174 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -15.547 -5.553 12.590 1.00 0.00 H new