USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 637 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 13 LYS NZ :NH3+ -153:sc= -1.42 (180deg=-3.13!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0174 USER MOD Single : A 27 ASN : amide:sc= -2.87 K(o=-2.9,f=-6.2!) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.217 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.16 K(o=-0.16,f=-0.76) USER MOD Single : A 36 TYR OH : rot 180:sc= -1.19 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.47 X(o=-0.47,f=-0.47) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -5.67! C(o=-5.7!,f=-9.4!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.206 USER MOD Single : A 71 HIS : no HD1:sc= -11.6! C(o=-12!,f=-10!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -2.14 K(o=-2.1,f=-3.8!) USER MOD Single : A 77 THR OG1 : rot -19:sc= -2.25 USER MOD Single : A 80 ASN : amide:sc= -1.65 X(o=-1.6,f=-2.1) USER MOD Single : A 81 THR OG1 : rot -90:sc= 0.0623 USER MOD Single : A 83 GLN : amide:sc= -0.68 K(o=-0.68,f=-3.4!) USER MOD Single : A 86 HIS : no HD1:sc= -0.138 X(o=-0.14,f=-0.25) USER MOD Single : A 91 LYS NZ :NH3+ 162:sc=0.000542 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 72 N ILE A 6 -11.661 -2.531 -5.485 1.00 15.00 N ATOM 73 CA ILE A 6 -10.214 -2.438 -5.534 1.00 15.00 C ATOM 74 C ILE A 6 -9.763 -1.190 -6.288 1.00 15.00 C ATOM 75 O ILE A 6 -10.394 -0.776 -7.261 1.00 15.00 O ATOM 76 CB ILE A 6 -9.624 -3.697 -6.208 1.00 15.00 C ATOM 77 CG1 ILE A 6 -9.049 -4.644 -5.155 1.00 15.00 C ATOM 78 CG2 ILE A 6 -8.556 -3.332 -7.236 1.00 15.00 C ATOM 79 CD1 ILE A 6 -10.107 -5.312 -4.303 1.00 15.00 C ATOM 0 HA ILE A 6 -9.848 -2.368 -4.510 1.00 15.00 H new ATOM 0 HB ILE A 6 -10.433 -4.203 -6.735 1.00 15.00 H new ATOM 0 HG12 ILE A 6 -8.456 -5.412 -5.653 1.00 15.00 H new ATOM 0 HG13 ILE A 6 -8.371 -4.087 -4.508 1.00 15.00 H new ATOM 0 HG21 ILE A 6 -8.163 -4.241 -7.690 1.00 15.00 H new ATOM 0 HG22 ILE A 6 -8.995 -2.701 -8.009 1.00 15.00 H new ATOM 0 HG23 ILE A 6 -7.747 -2.793 -6.744 1.00 15.00 H new ATOM 0 HD11 ILE A 6 -9.628 -5.970 -3.578 1.00 15.00 H new ATOM 0 HD12 ILE A 6 -10.685 -4.551 -3.777 1.00 15.00 H new ATOM 0 HD13 ILE A 6 -10.771 -5.896 -4.940 1.00 15.00 H new ATOM 91 N PHE A 7 -8.655 -0.609 -5.843 1.00 15.00 N ATOM 92 CA PHE A 7 -8.104 0.574 -6.487 1.00 15.00 C ATOM 93 C PHE A 7 -6.580 0.493 -6.535 1.00 15.00 C ATOM 94 O PHE A 7 -5.961 -0.181 -5.714 1.00 15.00 O ATOM 95 CB PHE A 7 -8.565 1.850 -5.767 1.00 15.00 C ATOM 96 CG PHE A 7 -7.724 2.236 -4.580 1.00 15.00 C ATOM 97 CD1 PHE A 7 -6.482 2.825 -4.755 1.00 15.00 C ATOM 98 CD2 PHE A 7 -8.181 2.016 -3.290 1.00 15.00 C ATOM 99 CE1 PHE A 7 -5.711 3.186 -3.668 1.00 15.00 C ATOM 100 CE2 PHE A 7 -7.414 2.377 -2.199 1.00 15.00 C ATOM 101 CZ PHE A 7 -6.178 2.963 -2.388 1.00 15.00 C ATOM 0 H PHE A 7 -8.122 -0.939 -5.039 1.00 15.00 H new ATOM 0 HA PHE A 7 -8.476 0.615 -7.511 1.00 15.00 H new ATOM 0 HB2 PHE A 7 -8.565 2.674 -6.480 1.00 15.00 H new ATOM 0 HB3 PHE A 7 -9.595 1.714 -5.438 1.00 15.00 H new ATOM 0 HD1 PHE A 7 -6.113 3.004 -5.754 1.00 15.00 H new ATOM 0 HD2 PHE A 7 -9.147 1.558 -3.136 1.00 15.00 H new ATOM 0 HE1 PHE A 7 -4.744 3.642 -3.819 1.00 15.00 H new ATOM 0 HE2 PHE A 7 -7.781 2.201 -1.199 1.00 15.00 H new ATOM 0 HZ PHE A 7 -5.578 3.246 -1.536 1.00 15.00 H new ATOM 111 N GLU A 8 -5.984 1.169 -7.509 1.00 15.00 N ATOM 112 CA GLU A 8 -4.534 1.157 -7.672 1.00 15.00 C ATOM 113 C GLU A 8 -3.946 2.559 -7.596 1.00 15.00 C ATOM 114 O GLU A 8 -4.533 3.527 -8.079 1.00 15.00 O ATOM 115 CB GLU A 8 -4.168 0.524 -9.009 1.00 15.00 C ATOM 116 CG GLU A 8 -4.903 1.132 -10.184 1.00 15.00 C ATOM 117 CD GLU A 8 -5.971 0.215 -10.746 1.00 15.00 C ATOM 118 OE1 GLU A 8 -5.659 -0.964 -11.016 1.00 15.00 O ATOM 119 OE2 GLU A 8 -7.120 0.675 -10.918 1.00 15.00 O ATOM 0 H GLU A 8 -6.481 1.733 -8.198 1.00 15.00 H new ATOM 0 HA GLU A 8 -4.115 0.570 -6.855 1.00 15.00 H new ATOM 0 HB2 GLU A 8 -3.095 0.626 -9.169 1.00 15.00 H new ATOM 0 HB3 GLU A 8 -4.384 -0.544 -8.968 1.00 15.00 H new ATOM 0 HG2 GLU A 8 -5.363 2.070 -9.873 1.00 15.00 H new ATOM 0 HG3 GLU A 8 -4.187 1.373 -10.970 1.00 15.00 H new ATOM 126 N VAL A 9 -2.767 2.641 -7.000 1.00 15.00 N ATOM 127 CA VAL A 9 -2.047 3.900 -6.858 1.00 15.00 C ATOM 128 C VAL A 9 -0.946 3.980 -7.905 1.00 15.00 C ATOM 129 O VAL A 9 -0.023 3.168 -7.907 1.00 15.00 O ATOM 130 CB VAL A 9 -1.446 4.066 -5.434 1.00 15.00 C ATOM 131 CG1 VAL A 9 -1.421 2.736 -4.694 1.00 15.00 C ATOM 132 CG2 VAL A 9 -0.046 4.668 -5.485 1.00 15.00 C ATOM 0 H VAL A 9 -2.281 1.838 -6.601 1.00 15.00 H new ATOM 0 HA VAL A 9 -2.758 4.713 -7.008 1.00 15.00 H new ATOM 0 HB VAL A 9 -2.091 4.755 -4.889 1.00 15.00 H new ATOM 0 HG11 VAL A 9 -0.996 2.880 -3.701 1.00 15.00 H new ATOM 0 HG12 VAL A 9 -2.437 2.352 -4.602 1.00 15.00 H new ATOM 0 HG13 VAL A 9 -0.812 2.022 -5.249 1.00 15.00 H new ATOM 0 HG21 VAL A 9 0.343 4.770 -4.472 1.00 15.00 H new ATOM 0 HG22 VAL A 9 0.610 4.016 -6.062 1.00 15.00 H new ATOM 0 HG23 VAL A 9 -0.089 5.649 -5.958 1.00 15.00 H new ATOM 142 N GLU A 10 -1.063 4.944 -8.805 1.00 15.00 N ATOM 143 CA GLU A 10 -0.086 5.106 -9.869 1.00 15.00 C ATOM 144 C GLU A 10 0.824 6.308 -9.636 1.00 15.00 C ATOM 145 O GLU A 10 0.717 7.322 -10.326 1.00 15.00 O ATOM 146 CB GLU A 10 -0.806 5.236 -11.205 1.00 15.00 C ATOM 147 CG GLU A 10 0.125 5.458 -12.387 1.00 15.00 C ATOM 148 CD GLU A 10 0.166 4.269 -13.328 1.00 15.00 C ATOM 149 OE1 GLU A 10 -0.881 3.954 -13.932 1.00 15.00 O ATOM 150 OE2 GLU A 10 1.244 3.653 -13.460 1.00 15.00 O ATOM 0 H GLU A 10 -1.823 5.624 -8.820 1.00 15.00 H new ATOM 0 HA GLU A 10 0.551 4.221 -9.878 1.00 15.00 H new ATOM 0 HB2 GLU A 10 -1.391 4.333 -11.381 1.00 15.00 H new ATOM 0 HB3 GLU A 10 -1.510 6.066 -11.148 1.00 15.00 H new ATOM 0 HG2 GLU A 10 -0.197 6.342 -12.938 1.00 15.00 H new ATOM 0 HG3 GLU A 10 1.131 5.661 -12.019 1.00 15.00 H new ATOM 157 N LEU A 11 1.731 6.182 -8.675 1.00 15.00 N ATOM 158 CA LEU A 11 2.673 7.253 -8.372 1.00 15.00 C ATOM 159 C LEU A 11 3.919 7.113 -9.240 1.00 15.00 C ATOM 160 O LEU A 11 4.173 6.050 -9.801 1.00 15.00 O ATOM 161 CB LEU A 11 3.060 7.234 -6.892 1.00 15.00 C ATOM 162 CG LEU A 11 3.294 8.610 -6.260 1.00 15.00 C ATOM 163 CD1 LEU A 11 2.014 9.432 -6.267 1.00 15.00 C ATOM 164 CD2 LEU A 11 3.823 8.459 -4.840 1.00 15.00 C ATOM 0 H LEU A 11 1.834 5.351 -8.093 1.00 15.00 H new ATOM 0 HA LEU A 11 2.191 8.206 -8.588 1.00 15.00 H new ATOM 0 HB2 LEU A 11 2.274 6.725 -6.334 1.00 15.00 H new ATOM 0 HB3 LEU A 11 3.967 6.641 -6.778 1.00 15.00 H new ATOM 0 HG LEU A 11 4.040 9.137 -6.855 1.00 15.00 H new ATOM 0 HD11 LEU A 11 2.204 10.405 -5.814 1.00 15.00 H new ATOM 0 HD12 LEU A 11 1.676 9.570 -7.294 1.00 15.00 H new ATOM 0 HD13 LEU A 11 1.244 8.911 -5.698 1.00 15.00 H new ATOM 0 HD21 LEU A 11 3.984 9.445 -4.405 1.00 15.00 H new ATOM 0 HD22 LEU A 11 3.098 7.911 -4.238 1.00 15.00 H new ATOM 0 HD23 LEU A 11 4.766 7.913 -4.859 1.00 15.00 H new ATOM 176 N ALA A 12 4.687 8.185 -9.360 1.00 15.00 N ATOM 177 CA ALA A 12 5.899 8.158 -10.173 1.00 15.00 C ATOM 178 C ALA A 12 7.142 7.908 -9.324 1.00 15.00 C ATOM 179 O ALA A 12 7.722 8.842 -8.770 1.00 15.00 O ATOM 180 CB ALA A 12 6.043 9.451 -10.957 1.00 15.00 C ATOM 0 H ALA A 12 4.497 9.080 -8.909 1.00 15.00 H new ATOM 0 HA ALA A 12 5.806 7.329 -10.874 1.00 15.00 H new ATOM 0 HB1 ALA A 12 6.952 9.413 -11.557 1.00 15.00 H new ATOM 0 HB2 ALA A 12 5.181 9.578 -11.612 1.00 15.00 H new ATOM 0 HB3 ALA A 12 6.100 10.292 -10.265 1.00 15.00 H new ATOM 186 N LYS A 13 7.551 6.645 -9.228 1.00 15.00 N ATOM 187 CA LYS A 13 8.735 6.268 -8.451 1.00 15.00 C ATOM 188 C LYS A 13 10.033 6.829 -9.040 1.00 15.00 C ATOM 189 O LYS A 13 11.085 6.197 -8.943 1.00 15.00 O ATOM 190 CB LYS A 13 8.850 4.750 -8.366 1.00 15.00 C ATOM 191 CG LYS A 13 9.908 4.262 -7.382 1.00 15.00 C ATOM 192 CD LYS A 13 10.011 5.166 -6.160 1.00 15.00 C ATOM 193 CE LYS A 13 8.760 5.082 -5.299 1.00 15.00 C ATOM 194 NZ LYS A 13 8.040 6.384 -5.231 1.00 15.00 N ATOM 0 H LYS A 13 7.080 5.861 -9.679 1.00 15.00 H new ATOM 0 HA LYS A 13 8.602 6.698 -7.458 1.00 15.00 H new ATOM 0 HB2 LYS A 13 7.883 4.338 -8.077 1.00 15.00 H new ATOM 0 HB3 LYS A 13 9.081 4.357 -9.356 1.00 15.00 H new ATOM 0 HG2 LYS A 13 9.667 3.248 -7.063 1.00 15.00 H new ATOM 0 HG3 LYS A 13 10.875 4.217 -7.882 1.00 15.00 H new ATOM 0 HD2 LYS A 13 10.881 4.882 -5.568 1.00 15.00 H new ATOM 0 HD3 LYS A 13 10.165 6.196 -6.480 1.00 15.00 H new ATOM 0 HE2 LYS A 13 8.093 4.320 -5.702 1.00 15.00 H new ATOM 0 HE3 LYS A 13 9.034 4.766 -4.292 1.00 15.00 H new ATOM 0 HZ1 LYS A 13 7.507 6.440 -4.340 1.00 15.00 H new ATOM 0 HZ2 LYS A 13 8.727 7.163 -5.273 1.00 15.00 H new ATOM 0 HZ3 LYS A 13 7.382 6.459 -6.033 1.00 15.00 H new ATOM 259 N LEU A 18 8.423 6.777 -1.803 1.00 15.00 N ATOM 260 CA LEU A 18 7.179 6.954 -1.075 1.00 15.00 C ATOM 261 C LEU A 18 7.440 7.637 0.263 1.00 15.00 C ATOM 262 O LEU A 18 8.543 8.120 0.518 1.00 15.00 O ATOM 263 CB LEU A 18 6.476 5.606 -0.863 1.00 15.00 C ATOM 264 CG LEU A 18 5.859 4.996 -2.123 1.00 15.00 C ATOM 265 CD1 LEU A 18 6.821 4.009 -2.765 1.00 15.00 C ATOM 266 CD2 LEU A 18 4.538 4.317 -1.795 1.00 15.00 C ATOM 0 HA LEU A 18 6.522 7.590 -1.668 1.00 15.00 H new ATOM 0 HB2 LEU A 18 7.195 4.899 -0.449 1.00 15.00 H new ATOM 0 HB3 LEU A 18 5.691 5.735 -0.118 1.00 15.00 H new ATOM 0 HG LEU A 18 5.666 5.799 -2.834 1.00 15.00 H new ATOM 0 HD11 LEU A 18 6.365 3.586 -3.660 1.00 15.00 H new ATOM 0 HD12 LEU A 18 7.743 4.524 -3.037 1.00 15.00 H new ATOM 0 HD13 LEU A 18 7.046 3.209 -2.059 1.00 15.00 H new ATOM 0 HD21 LEU A 18 4.114 3.889 -2.703 1.00 15.00 H new ATOM 0 HD22 LEU A 18 4.707 3.525 -1.065 1.00 15.00 H new ATOM 0 HD23 LEU A 18 3.845 5.050 -1.381 1.00 15.00 H new ATOM 278 N GLY A 19 6.421 7.677 1.111 1.00 15.00 N ATOM 279 CA GLY A 19 6.557 8.307 2.408 1.00 15.00 C ATOM 280 C GLY A 19 5.489 7.847 3.366 1.00 15.00 C ATOM 281 O GLY A 19 4.952 8.636 4.139 1.00 15.00 O ATOM 0 H GLY A 19 5.500 7.283 0.922 1.00 15.00 H new ATOM 0 HA2 GLY A 19 7.539 8.080 2.822 1.00 15.00 H new ATOM 0 HA3 GLY A 19 6.502 9.390 2.294 1.00 15.00 H new ATOM 285 N ILE A 20 5.170 6.565 3.296 1.00 15.00 N ATOM 286 CA ILE A 20 4.152 5.981 4.149 1.00 15.00 C ATOM 287 C ILE A 20 4.746 4.988 5.141 1.00 15.00 C ATOM 288 O ILE A 20 5.589 4.165 4.786 1.00 15.00 O ATOM 289 CB ILE A 20 3.065 5.285 3.300 1.00 15.00 C ATOM 290 CG1 ILE A 20 1.699 5.867 3.633 1.00 15.00 C ATOM 291 CG2 ILE A 20 3.069 3.783 3.527 1.00 15.00 C ATOM 292 CD1 ILE A 20 0.549 4.926 3.373 1.00 15.00 C ATOM 0 H ILE A 20 5.606 5.906 2.651 1.00 15.00 H new ATOM 0 HA ILE A 20 3.701 6.795 4.716 1.00 15.00 H new ATOM 0 HB ILE A 20 3.285 5.464 2.247 1.00 15.00 H new ATOM 0 HG12 ILE A 20 1.686 6.158 4.683 1.00 15.00 H new ATOM 0 HG13 ILE A 20 1.551 6.775 3.049 1.00 15.00 H new ATOM 0 HG21 ILE A 20 2.294 3.321 2.916 1.00 15.00 H new ATOM 0 HG22 ILE A 20 4.041 3.376 3.249 1.00 15.00 H new ATOM 0 HG23 ILE A 20 2.875 3.573 4.579 1.00 15.00 H new ATOM 0 HD11 ILE A 20 -0.389 5.416 3.636 1.00 15.00 H new ATOM 0 HD12 ILE A 20 0.533 4.654 2.318 1.00 15.00 H new ATOM 0 HD13 ILE A 20 0.671 4.027 3.978 1.00 15.00 H new ATOM 304 N SER A 21 4.262 5.042 6.372 1.00 15.00 N ATOM 305 CA SER A 21 4.699 4.116 7.402 1.00 15.00 C ATOM 306 C SER A 21 3.697 2.971 7.454 1.00 15.00 C ATOM 307 O SER A 21 2.599 3.121 7.988 1.00 15.00 O ATOM 308 CB SER A 21 4.797 4.821 8.759 1.00 15.00 C ATOM 309 OG SER A 21 5.049 3.893 9.800 1.00 15.00 O ATOM 0 H SER A 21 3.565 5.719 6.681 1.00 15.00 H new ATOM 0 HA SER A 21 5.692 3.733 7.168 1.00 15.00 H new ATOM 0 HB2 SER A 21 5.594 5.564 8.729 1.00 15.00 H new ATOM 0 HB3 SER A 21 3.869 5.356 8.962 1.00 15.00 H new ATOM 0 HG SER A 21 5.109 4.369 10.655 1.00 15.00 H new ATOM 315 N VAL A 22 4.055 1.845 6.847 1.00 15.00 N ATOM 316 CA VAL A 22 3.149 0.703 6.780 1.00 15.00 C ATOM 317 C VAL A 22 3.376 -0.283 7.920 1.00 15.00 C ATOM 318 O VAL A 22 4.467 -0.366 8.482 1.00 15.00 O ATOM 319 CB VAL A 22 3.276 -0.043 5.425 1.00 15.00 C ATOM 320 CG1 VAL A 22 3.589 0.923 4.288 1.00 15.00 C ATOM 321 CG2 VAL A 22 4.334 -1.135 5.495 1.00 15.00 C ATOM 0 H VAL A 22 4.959 1.698 6.397 1.00 15.00 H new ATOM 0 HA VAL A 22 2.142 1.111 6.874 1.00 15.00 H new ATOM 0 HB VAL A 22 2.313 -0.510 5.221 1.00 15.00 H new ATOM 0 HG11 VAL A 22 3.672 0.369 3.353 1.00 15.00 H new ATOM 0 HG12 VAL A 22 2.789 1.659 4.205 1.00 15.00 H new ATOM 0 HG13 VAL A 22 4.531 1.433 4.492 1.00 15.00 H new ATOM 0 HG21 VAL A 22 4.400 -1.640 4.531 1.00 15.00 H new ATOM 0 HG22 VAL A 22 5.299 -0.691 5.739 1.00 15.00 H new ATOM 0 HG23 VAL A 22 4.061 -1.857 6.265 1.00 15.00 H new ATOM 331 N THR A 23 2.325 -1.031 8.246 1.00 15.00 N ATOM 332 CA THR A 23 2.382 -2.025 9.308 1.00 15.00 C ATOM 333 C THR A 23 1.433 -3.186 9.007 1.00 15.00 C ATOM 334 O THR A 23 0.807 -3.228 7.946 1.00 15.00 O ATOM 335 CB THR A 23 2.037 -1.383 10.652 1.00 15.00 C ATOM 336 OG1 THR A 23 2.296 -2.277 11.719 1.00 15.00 O ATOM 337 CG2 THR A 23 0.594 -0.951 10.755 1.00 15.00 C ATOM 0 H THR A 23 1.418 -0.964 7.784 1.00 15.00 H new ATOM 0 HA THR A 23 3.397 -2.419 9.362 1.00 15.00 H new ATOM 0 HB THR A 23 2.670 -0.498 10.718 1.00 15.00 H new ATOM 0 HG1 THR A 23 2.070 -1.846 12.569 1.00 15.00 H new ATOM 0 HG21 THR A 23 0.417 -0.504 11.733 1.00 15.00 H new ATOM 0 HG22 THR A 23 0.377 -0.219 9.977 1.00 15.00 H new ATOM 0 HG23 THR A 23 -0.055 -1.818 10.629 1.00 15.00 H new ATOM 345 N GLY A 24 1.331 -4.129 9.941 1.00 15.00 N ATOM 346 CA GLY A 24 0.455 -5.273 9.744 1.00 15.00 C ATOM 347 C GLY A 24 1.054 -6.299 8.805 1.00 15.00 C ATOM 348 O GLY A 24 2.053 -6.938 9.133 1.00 15.00 O ATOM 0 H GLY A 24 1.837 -4.122 10.827 1.00 15.00 H new ATOM 0 HA2 GLY A 24 0.250 -5.741 10.707 1.00 15.00 H new ATOM 0 HA3 GLY A 24 -0.500 -4.932 9.345 1.00 15.00 H new ATOM 352 N GLY A 25 0.449 -6.444 7.629 1.00 15.00 N ATOM 353 CA GLY A 25 0.947 -7.385 6.642 1.00 15.00 C ATOM 354 C GLY A 25 0.906 -8.831 7.099 1.00 15.00 C ATOM 355 O GLY A 25 0.177 -9.644 6.531 1.00 15.00 O ATOM 0 H GLY A 25 -0.380 -5.924 7.342 1.00 15.00 H new ATOM 0 HA2 GLY A 25 0.359 -7.285 5.730 1.00 15.00 H new ATOM 0 HA3 GLY A 25 1.974 -7.123 6.389 1.00 15.00 H new ATOM 359 N VAL A 26 1.707 -9.150 8.115 1.00 15.00 N ATOM 360 CA VAL A 26 1.797 -10.510 8.659 1.00 15.00 C ATOM 361 C VAL A 26 0.487 -11.282 8.520 1.00 15.00 C ATOM 362 O VAL A 26 -0.599 -10.711 8.622 1.00 15.00 O ATOM 363 CB VAL A 26 2.212 -10.497 10.145 1.00 15.00 C ATOM 364 CG1 VAL A 26 3.713 -10.694 10.284 1.00 15.00 C ATOM 365 CG2 VAL A 26 1.776 -9.202 10.813 1.00 15.00 C ATOM 0 H VAL A 26 2.312 -8.477 8.585 1.00 15.00 H new ATOM 0 HA VAL A 26 2.562 -11.015 8.069 1.00 15.00 H new ATOM 0 HB VAL A 26 1.711 -11.325 10.647 1.00 15.00 H new ATOM 0 HG11 VAL A 26 3.985 -10.682 11.339 1.00 15.00 H new ATOM 0 HG12 VAL A 26 3.996 -11.652 9.847 1.00 15.00 H new ATOM 0 HG13 VAL A 26 4.235 -9.890 9.765 1.00 15.00 H new ATOM 0 HG21 VAL A 26 2.078 -9.213 11.860 1.00 15.00 H new ATOM 0 HG22 VAL A 26 2.245 -8.357 10.309 1.00 15.00 H new ATOM 0 HG23 VAL A 26 0.692 -9.107 10.749 1.00 15.00 H new ATOM 375 N ASN A 27 0.604 -12.585 8.284 1.00 15.00 N ATOM 376 CA ASN A 27 -0.562 -13.446 8.127 1.00 15.00 C ATOM 377 C ASN A 27 -1.145 -13.830 9.486 1.00 15.00 C ATOM 378 O ASN A 27 -1.284 -15.012 9.802 1.00 15.00 O ATOM 379 CB ASN A 27 -0.186 -14.707 7.347 1.00 15.00 C ATOM 380 CG ASN A 27 0.541 -14.391 6.054 1.00 15.00 C ATOM 381 OD1 ASN A 27 1.452 -13.564 6.027 1.00 15.00 O ATOM 382 ND2 ASN A 27 0.138 -15.049 4.973 1.00 15.00 N ATOM 0 H ASN A 27 1.498 -13.069 8.197 1.00 15.00 H new ATOM 0 HA ASN A 27 -1.319 -12.893 7.571 1.00 15.00 H new ATOM 0 HB2 ASN A 27 0.445 -15.342 7.970 1.00 15.00 H new ATOM 0 HB3 ASN A 27 -1.089 -15.276 7.124 1.00 15.00 H new ATOM 0 HD21 ASN A 27 0.588 -14.877 4.074 1.00 15.00 H new ATOM 0 HD22 ASN A 27 -0.622 -15.726 5.042 1.00 15.00 H new ATOM 389 N THR A 28 -1.485 -12.824 10.284 1.00 15.00 N ATOM 390 CA THR A 28 -2.053 -13.054 11.606 1.00 15.00 C ATOM 391 C THR A 28 -2.972 -11.904 12.002 1.00 15.00 C ATOM 392 O THR A 28 -4.182 -12.083 12.141 1.00 15.00 O ATOM 393 CB THR A 28 -0.940 -13.214 12.643 1.00 15.00 C ATOM 394 OG1 THR A 28 0.210 -13.797 12.058 1.00 15.00 O ATOM 395 CG2 THR A 28 -1.341 -14.075 13.822 1.00 15.00 C ATOM 0 H THR A 28 -1.377 -11.840 10.037 1.00 15.00 H new ATOM 0 HA THR A 28 -2.638 -13.973 11.571 1.00 15.00 H new ATOM 0 HB THR A 28 -0.733 -12.206 13.002 1.00 15.00 H new ATOM 0 HG1 THR A 28 0.911 -13.890 12.737 1.00 15.00 H new ATOM 0 HG21 THR A 28 -0.507 -14.148 14.520 1.00 15.00 H new ATOM 0 HG22 THR A 28 -2.197 -13.626 14.326 1.00 15.00 H new ATOM 0 HG23 THR A 28 -1.608 -15.072 13.471 1.00 15.00 H new ATOM 403 N SER A 29 -2.391 -10.721 12.172 1.00 15.00 N ATOM 404 CA SER A 29 -3.161 -9.540 12.542 1.00 15.00 C ATOM 405 C SER A 29 -4.112 -9.156 11.415 1.00 15.00 C ATOM 406 O SER A 29 -5.296 -8.905 11.642 1.00 15.00 O ATOM 407 CB SER A 29 -2.226 -8.372 12.864 1.00 15.00 C ATOM 408 OG SER A 29 -2.614 -7.723 14.063 1.00 15.00 O ATOM 0 H SER A 29 -1.391 -10.555 12.060 1.00 15.00 H new ATOM 0 HA SER A 29 -3.746 -9.773 13.432 1.00 15.00 H new ATOM 0 HB2 SER A 29 -1.203 -8.736 12.959 1.00 15.00 H new ATOM 0 HB3 SER A 29 -2.235 -7.658 12.041 1.00 15.00 H new ATOM 0 HG SER A 29 -2.000 -6.982 14.247 1.00 15.00 H new ATOM 414 N VAL A 30 -3.585 -9.124 10.196 1.00 15.00 N ATOM 415 CA VAL A 30 -4.381 -8.784 9.024 1.00 15.00 C ATOM 416 C VAL A 30 -5.040 -10.032 8.443 1.00 15.00 C ATOM 417 O VAL A 30 -5.014 -11.098 9.058 1.00 15.00 O ATOM 418 CB VAL A 30 -3.519 -8.108 7.938 1.00 15.00 C ATOM 419 CG1 VAL A 30 -2.907 -6.820 8.469 1.00 15.00 C ATOM 420 CG2 VAL A 30 -2.436 -9.057 7.443 1.00 15.00 C ATOM 0 H VAL A 30 -2.607 -9.330 9.994 1.00 15.00 H new ATOM 0 HA VAL A 30 -5.151 -8.083 9.345 1.00 15.00 H new ATOM 0 HB VAL A 30 -4.162 -7.859 7.094 1.00 15.00 H new ATOM 0 HG11 VAL A 30 -2.302 -6.356 7.690 1.00 15.00 H new ATOM 0 HG12 VAL A 30 -3.701 -6.136 8.767 1.00 15.00 H new ATOM 0 HG13 VAL A 30 -2.279 -7.044 9.331 1.00 15.00 H new ATOM 0 HG21 VAL A 30 -1.839 -8.561 6.678 1.00 15.00 H new ATOM 0 HG22 VAL A 30 -1.793 -9.342 8.276 1.00 15.00 H new ATOM 0 HG23 VAL A 30 -2.899 -9.949 7.021 1.00 15.00 H new ATOM 430 N ARG A 31 -5.631 -9.898 7.261 1.00 15.00 N ATOM 431 CA ARG A 31 -6.293 -11.023 6.612 1.00 15.00 C ATOM 432 C ARG A 31 -5.366 -11.704 5.611 1.00 15.00 C ATOM 433 O ARG A 31 -4.784 -11.053 4.743 1.00 15.00 O ATOM 434 CB ARG A 31 -7.568 -10.560 5.906 1.00 15.00 C ATOM 435 CG ARG A 31 -8.414 -9.604 6.732 1.00 15.00 C ATOM 436 CD ARG A 31 -9.554 -10.329 7.428 1.00 15.00 C ATOM 437 NE ARG A 31 -9.073 -11.417 8.277 1.00 15.00 N ATOM 438 CZ ARG A 31 -9.834 -12.429 8.686 1.00 15.00 C ATOM 439 NH1 ARG A 31 -11.110 -12.496 8.329 1.00 15.00 N ATOM 440 NH2 ARG A 31 -9.317 -13.378 9.455 1.00 15.00 N ATOM 0 H ARG A 31 -5.665 -9.025 6.735 1.00 15.00 H new ATOM 0 HA ARG A 31 -6.555 -11.745 7.386 1.00 15.00 H new ATOM 0 HB2 ARG A 31 -7.297 -10.074 4.969 1.00 15.00 H new ATOM 0 HB3 ARG A 31 -8.168 -11.433 5.650 1.00 15.00 H new ATOM 0 HG2 ARG A 31 -7.787 -9.111 7.475 1.00 15.00 H new ATOM 0 HG3 ARG A 31 -8.818 -8.823 6.087 1.00 15.00 H new ATOM 0 HD2 ARG A 31 -10.119 -9.620 8.033 1.00 15.00 H new ATOM 0 HD3 ARG A 31 -10.240 -10.728 6.681 1.00 15.00 H new ATOM 0 HE ARG A 31 -8.097 -11.400 8.573 1.00 15.00 H new ATOM 0 HH11 ARG A 31 -11.513 -11.769 7.738 1.00 15.00 H new ATOM 0 HH12 ARG A 31 -11.688 -13.274 8.646 1.00 15.00 H new ATOM 0 HH21 ARG A 31 -8.337 -13.332 9.733 1.00 15.00 H new ATOM 0 HH22 ARG A 31 -9.900 -14.154 9.769 1.00 15.00 H new ATOM 454 N HIS A 32 -5.241 -13.020 5.737 1.00 15.00 N ATOM 455 CA HIS A 32 -4.394 -13.806 4.845 1.00 15.00 C ATOM 456 C HIS A 32 -2.938 -13.343 4.904 1.00 15.00 C ATOM 457 O HIS A 32 -2.122 -13.925 5.617 1.00 15.00 O ATOM 458 CB HIS A 32 -4.918 -13.721 3.409 1.00 15.00 C ATOM 459 CG HIS A 32 -6.273 -14.330 3.229 1.00 15.00 C ATOM 460 ND1 HIS A 32 -7.396 -13.873 3.884 1.00 15.00 N ATOM 461 CD2 HIS A 32 -6.684 -15.366 2.460 1.00 15.00 C ATOM 462 CE1 HIS A 32 -8.439 -14.601 3.528 1.00 15.00 C ATOM 463 NE2 HIS A 32 -8.033 -15.513 2.664 1.00 15.00 N ATOM 0 H HIS A 32 -5.718 -13.569 6.452 1.00 15.00 H new ATOM 0 HA HIS A 32 -4.428 -14.843 5.178 1.00 15.00 H new ATOM 0 HB2 HIS A 32 -4.956 -12.675 3.106 1.00 15.00 H new ATOM 0 HB3 HIS A 32 -4.213 -14.220 2.744 1.00 15.00 H new ATOM 0 HD2 HIS A 32 -6.066 -15.965 1.808 1.00 15.00 H new ATOM 0 HE1 HIS A 32 -9.451 -14.472 3.883 1.00 15.00 H new ATOM 0 HE2 HIS A 32 -8.626 -16.214 2.220 1.00 15.00 H new ATOM 472 N GLY A 33 -2.618 -12.299 4.144 1.00 15.00 N ATOM 473 CA GLY A 33 -1.261 -11.781 4.115 1.00 15.00 C ATOM 474 C GLY A 33 -1.172 -10.463 3.375 1.00 15.00 C ATOM 475 O GLY A 33 -0.142 -10.144 2.781 1.00 15.00 O ATOM 0 H GLY A 33 -3.277 -11.801 3.546 1.00 15.00 H new ATOM 0 HA2 GLY A 33 -0.902 -11.649 5.136 1.00 15.00 H new ATOM 0 HA3 GLY A 33 -0.605 -12.509 3.638 1.00 15.00 H new ATOM 479 N GLY A 34 -2.250 -9.687 3.426 1.00 15.00 N ATOM 480 CA GLY A 34 -2.263 -8.396 2.772 1.00 15.00 C ATOM 481 C GLY A 34 -1.777 -7.318 3.711 1.00 15.00 C ATOM 482 O GLY A 34 -1.910 -7.455 4.927 1.00 15.00 O ATOM 0 H GLY A 34 -3.114 -9.931 3.909 1.00 15.00 H new ATOM 0 HA2 GLY A 34 -1.630 -8.425 1.885 1.00 15.00 H new ATOM 0 HA3 GLY A 34 -3.273 -8.164 2.435 1.00 15.00 H new ATOM 486 N ILE A 35 -1.196 -6.254 3.174 1.00 15.00 N ATOM 487 CA ILE A 35 -0.689 -5.193 4.029 1.00 15.00 C ATOM 488 C ILE A 35 -1.702 -4.075 4.217 1.00 15.00 C ATOM 489 O ILE A 35 -2.549 -3.824 3.362 1.00 15.00 O ATOM 490 CB ILE A 35 0.650 -4.620 3.508 1.00 15.00 C ATOM 491 CG1 ILE A 35 1.730 -4.785 4.586 1.00 15.00 C ATOM 492 CG2 ILE A 35 0.510 -3.161 3.080 1.00 15.00 C ATOM 493 CD1 ILE A 35 2.822 -3.737 4.550 1.00 15.00 C ATOM 0 H ILE A 35 -1.066 -6.105 2.173 1.00 15.00 H new ATOM 0 HA ILE A 35 -0.508 -5.650 5.002 1.00 15.00 H new ATOM 0 HB ILE A 35 0.947 -5.179 2.620 1.00 15.00 H new ATOM 0 HG12 ILE A 35 1.253 -4.761 5.566 1.00 15.00 H new ATOM 0 HG13 ILE A 35 2.186 -5.769 4.478 1.00 15.00 H new ATOM 0 HG21 ILE A 35 1.471 -2.794 2.720 1.00 15.00 H new ATOM 0 HG22 ILE A 35 -0.229 -3.085 2.283 1.00 15.00 H new ATOM 0 HG23 ILE A 35 0.188 -2.561 3.931 1.00 15.00 H new ATOM 0 HD11 ILE A 35 3.540 -3.932 5.346 1.00 15.00 H new ATOM 0 HD12 ILE A 35 3.330 -3.774 3.586 1.00 15.00 H new ATOM 0 HD13 ILE A 35 2.383 -2.749 4.692 1.00 15.00 H new ATOM 505 N TYR A 36 -1.583 -3.408 5.352 1.00 15.00 N ATOM 506 CA TYR A 36 -2.456 -2.298 5.703 1.00 15.00 C ATOM 507 C TYR A 36 -1.626 -1.171 6.295 1.00 15.00 C ATOM 508 O TYR A 36 -1.115 -1.283 7.409 1.00 15.00 O ATOM 509 CB TYR A 36 -3.525 -2.753 6.697 1.00 15.00 C ATOM 510 CG TYR A 36 -4.531 -3.713 6.103 1.00 15.00 C ATOM 511 CD1 TYR A 36 -4.153 -4.992 5.709 1.00 15.00 C ATOM 512 CD2 TYR A 36 -5.858 -3.339 5.933 1.00 15.00 C ATOM 513 CE1 TYR A 36 -5.070 -5.869 5.163 1.00 15.00 C ATOM 514 CE2 TYR A 36 -6.780 -4.212 5.388 1.00 15.00 C ATOM 515 CZ TYR A 36 -6.382 -5.475 5.005 1.00 15.00 C ATOM 516 OH TYR A 36 -7.297 -6.347 4.462 1.00 15.00 O ATOM 0 H TYR A 36 -0.878 -3.620 6.058 1.00 15.00 H new ATOM 0 HA TYR A 36 -2.959 -1.939 4.805 1.00 15.00 H new ATOM 0 HB2 TYR A 36 -3.039 -3.229 7.548 1.00 15.00 H new ATOM 0 HB3 TYR A 36 -4.051 -1.878 7.079 1.00 15.00 H new ATOM 0 HD1 TYR A 36 -3.127 -5.304 5.832 1.00 15.00 H new ATOM 0 HD2 TYR A 36 -6.174 -2.350 6.232 1.00 15.00 H new ATOM 0 HE1 TYR A 36 -4.761 -6.859 4.861 1.00 15.00 H new ATOM 0 HE2 TYR A 36 -7.808 -3.906 5.263 1.00 15.00 H new ATOM 0 HH TYR A 36 -8.176 -5.915 4.421 1.00 15.00 H new ATOM 526 N VAL A 37 -1.471 -0.096 5.535 1.00 15.00 N ATOM 527 CA VAL A 37 -0.670 1.036 5.986 1.00 15.00 C ATOM 528 C VAL A 37 -1.152 1.562 7.331 1.00 15.00 C ATOM 529 O VAL A 37 -2.330 1.466 7.665 1.00 15.00 O ATOM 530 CB VAL A 37 -0.640 2.203 4.955 1.00 15.00 C ATOM 531 CG1 VAL A 37 -0.836 1.709 3.535 1.00 15.00 C ATOM 532 CG2 VAL A 37 -1.665 3.281 5.265 1.00 15.00 C ATOM 0 H VAL A 37 -1.885 0.017 4.610 1.00 15.00 H new ATOM 0 HA VAL A 37 0.345 0.654 6.091 1.00 15.00 H new ATOM 0 HB VAL A 37 0.353 2.644 5.040 1.00 15.00 H new ATOM 0 HG11 VAL A 37 -0.808 2.555 2.848 1.00 15.00 H new ATOM 0 HG12 VAL A 37 -0.040 1.009 3.280 1.00 15.00 H new ATOM 0 HG13 VAL A 37 -1.800 1.208 3.454 1.00 15.00 H new ATOM 0 HG21 VAL A 37 -1.601 4.070 4.516 1.00 15.00 H new ATOM 0 HG22 VAL A 37 -2.665 2.847 5.251 1.00 15.00 H new ATOM 0 HG23 VAL A 37 -1.465 3.700 6.251 1.00 15.00 H new ATOM 542 N LYS A 38 -0.237 2.149 8.086 1.00 15.00 N ATOM 543 CA LYS A 38 -0.582 2.727 9.371 1.00 15.00 C ATOM 544 C LYS A 38 -1.106 4.137 9.140 1.00 15.00 C ATOM 545 O LYS A 38 -2.145 4.521 9.676 1.00 15.00 O ATOM 546 CB LYS A 38 0.629 2.737 10.310 1.00 15.00 C ATOM 547 CG LYS A 38 0.380 3.459 11.625 1.00 15.00 C ATOM 548 CD LYS A 38 -0.200 2.522 12.672 1.00 15.00 C ATOM 549 CE LYS A 38 -1.702 2.707 12.815 1.00 15.00 C ATOM 550 NZ LYS A 38 -2.394 1.425 13.121 1.00 15.00 N ATOM 0 H LYS A 38 0.747 2.237 7.831 1.00 15.00 H new ATOM 0 HA LYS A 38 -1.353 2.124 9.850 1.00 15.00 H new ATOM 0 HB2 LYS A 38 0.922 1.709 10.521 1.00 15.00 H new ATOM 0 HB3 LYS A 38 1.469 3.210 9.800 1.00 15.00 H new ATOM 0 HG2 LYS A 38 1.315 3.883 11.992 1.00 15.00 H new ATOM 0 HG3 LYS A 38 -0.304 4.291 11.461 1.00 15.00 H new ATOM 0 HD2 LYS A 38 0.016 1.490 12.397 1.00 15.00 H new ATOM 0 HD3 LYS A 38 0.283 2.704 13.632 1.00 15.00 H new ATOM 0 HE2 LYS A 38 -1.905 3.427 13.608 1.00 15.00 H new ATOM 0 HE3 LYS A 38 -2.105 3.126 11.893 1.00 15.00 H new ATOM 0 HZ1 LYS A 38 -3.416 1.595 13.211 1.00 15.00 H new ATOM 0 HZ2 LYS A 38 -2.222 0.746 12.353 1.00 15.00 H new ATOM 0 HZ3 LYS A 38 -2.028 1.037 14.014 1.00 15.00 H new ATOM 564 N ALA A 39 -0.386 4.894 8.312 1.00 15.00 N ATOM 565 CA ALA A 39 -0.782 6.251 7.970 1.00 15.00 C ATOM 566 C ALA A 39 0.113 6.805 6.870 1.00 15.00 C ATOM 567 O ALA A 39 1.104 6.179 6.504 1.00 15.00 O ATOM 568 CB ALA A 39 -0.753 7.141 9.198 1.00 15.00 C ATOM 0 H ALA A 39 0.478 4.584 7.866 1.00 15.00 H new ATOM 0 HA ALA A 39 -1.805 6.231 7.595 1.00 15.00 H new ATOM 0 HB1 ALA A 39 -1.052 8.152 8.922 1.00 15.00 H new ATOM 0 HB2 ALA A 39 -1.442 6.750 9.947 1.00 15.00 H new ATOM 0 HB3 ALA A 39 0.256 7.161 9.609 1.00 15.00 H new ATOM 574 N VAL A 40 -0.225 7.986 6.362 1.00 15.00 N ATOM 575 CA VAL A 40 0.573 8.621 5.313 1.00 15.00 C ATOM 576 C VAL A 40 1.528 9.630 5.940 1.00 15.00 C ATOM 577 O VAL A 40 1.101 10.639 6.501 1.00 15.00 O ATOM 578 CB VAL A 40 -0.303 9.329 4.250 1.00 15.00 C ATOM 579 CG1 VAL A 40 -0.279 8.560 2.936 1.00 15.00 C ATOM 580 CG2 VAL A 40 -1.732 9.499 4.740 1.00 15.00 C ATOM 0 H VAL A 40 -1.041 8.522 6.656 1.00 15.00 H new ATOM 0 HA VAL A 40 1.130 7.834 4.805 1.00 15.00 H new ATOM 0 HB VAL A 40 0.115 10.321 4.080 1.00 15.00 H new ATOM 0 HG11 VAL A 40 -0.900 9.074 2.202 1.00 15.00 H new ATOM 0 HG12 VAL A 40 0.745 8.502 2.567 1.00 15.00 H new ATOM 0 HG13 VAL A 40 -0.664 7.553 3.097 1.00 15.00 H new ATOM 0 HG21 VAL A 40 -2.323 9.999 3.972 1.00 15.00 H new ATOM 0 HG22 VAL A 40 -2.163 8.520 4.950 1.00 15.00 H new ATOM 0 HG23 VAL A 40 -1.736 10.100 5.649 1.00 15.00 H new ATOM 590 N ILE A 41 2.821 9.323 5.889 1.00 15.00 N ATOM 591 CA ILE A 41 3.832 10.175 6.503 1.00 15.00 C ATOM 592 C ILE A 41 4.172 11.411 5.670 1.00 15.00 C ATOM 593 O ILE A 41 4.683 11.302 4.553 1.00 15.00 O ATOM 594 CB ILE A 41 5.117 9.366 6.832 1.00 15.00 C ATOM 595 CG1 ILE A 41 4.871 8.391 7.996 1.00 15.00 C ATOM 596 CG2 ILE A 41 6.280 10.289 7.166 1.00 15.00 C ATOM 597 CD1 ILE A 41 3.437 7.916 8.127 1.00 15.00 C ATOM 0 H ILE A 41 3.192 8.492 5.429 1.00 15.00 H new ATOM 0 HA ILE A 41 3.394 10.540 7.432 1.00 15.00 H new ATOM 0 HB ILE A 41 5.376 8.792 5.942 1.00 15.00 H new ATOM 0 HG12 ILE A 41 5.518 7.523 7.869 1.00 15.00 H new ATOM 0 HG13 ILE A 41 5.167 8.875 8.927 1.00 15.00 H new ATOM 0 HG21 ILE A 41 7.164 9.693 7.392 1.00 15.00 H new ATOM 0 HG22 ILE A 41 6.487 10.937 6.314 1.00 15.00 H new ATOM 0 HG23 ILE A 41 6.023 10.899 8.032 1.00 15.00 H new ATOM 0 HD11 ILE A 41 3.356 7.233 8.973 1.00 15.00 H new ATOM 0 HD12 ILE A 41 2.783 8.773 8.289 1.00 15.00 H new ATOM 0 HD13 ILE A 41 3.140 7.400 7.214 1.00 15.00 H new ATOM 609 N PRO A 42 3.893 12.614 6.232 1.00 15.00 N ATOM 610 CA PRO A 42 4.162 13.903 5.575 1.00 15.00 C ATOM 611 C PRO A 42 5.649 14.141 5.313 1.00 15.00 C ATOM 612 O PRO A 42 6.224 15.111 5.805 1.00 15.00 O ATOM 613 CB PRO A 42 3.636 14.945 6.574 1.00 15.00 C ATOM 614 CG PRO A 42 2.726 14.194 7.480 1.00 15.00 C ATOM 615 CD PRO A 42 3.292 12.809 7.565 1.00 15.00 C ATOM 0 HA PRO A 42 3.688 13.948 4.595 1.00 15.00 H new ATOM 0 HB2 PRO A 42 4.453 15.405 7.130 1.00 15.00 H new ATOM 0 HB3 PRO A 42 3.107 15.749 6.062 1.00 15.00 H new ATOM 0 HG2 PRO A 42 2.681 14.660 8.464 1.00 15.00 H new ATOM 0 HG3 PRO A 42 1.709 14.178 7.088 1.00 15.00 H new ATOM 0 HD2 PRO A 42 4.034 12.724 8.359 1.00 15.00 H new ATOM 0 HD3 PRO A 42 2.519 12.069 7.771 1.00 15.00 H new ATOM 623 N GLN A 43 6.270 13.257 4.539 1.00 15.00 N ATOM 624 CA GLN A 43 7.685 13.390 4.228 1.00 15.00 C ATOM 625 C GLN A 43 8.001 12.858 2.831 1.00 15.00 C ATOM 626 O GLN A 43 8.709 13.506 2.059 1.00 15.00 O ATOM 627 CB GLN A 43 8.521 12.647 5.274 1.00 15.00 C ATOM 628 CG GLN A 43 9.996 12.557 4.927 1.00 15.00 C ATOM 629 CD GLN A 43 10.893 12.702 6.141 1.00 15.00 C ATOM 630 OE1 GLN A 43 11.261 11.715 6.778 1.00 15.00 O ATOM 631 NE2 GLN A 43 11.248 13.939 6.469 1.00 15.00 N ATOM 0 H GLN A 43 5.817 12.446 4.118 1.00 15.00 H new ATOM 0 HA GLN A 43 7.937 14.450 4.248 1.00 15.00 H new ATOM 0 HB2 GLN A 43 8.413 13.149 6.235 1.00 15.00 H new ATOM 0 HB3 GLN A 43 8.123 11.639 5.395 1.00 15.00 H new ATOM 0 HG2 GLN A 43 10.194 11.599 4.446 1.00 15.00 H new ATOM 0 HG3 GLN A 43 10.243 13.334 4.203 1.00 15.00 H new ATOM 0 HE21 GLN A 43 10.920 14.728 5.913 1.00 15.00 H new ATOM 0 HE22 GLN A 43 11.849 14.100 7.277 1.00 15.00 H new ATOM 640 N GLY A 44 7.492 11.671 2.516 1.00 15.00 N ATOM 641 CA GLY A 44 7.759 11.078 1.214 1.00 15.00 C ATOM 642 C GLY A 44 6.772 11.490 0.137 1.00 15.00 C ATOM 643 O GLY A 44 5.724 12.069 0.419 1.00 15.00 O ATOM 0 H GLY A 44 6.903 11.111 3.133 1.00 15.00 H new ATOM 0 HA2 GLY A 44 8.764 11.357 0.898 1.00 15.00 H new ATOM 0 HA3 GLY A 44 7.745 9.992 1.310 1.00 15.00 H new ATOM 647 N ALA A 45 7.125 11.177 -1.105 1.00 15.00 N ATOM 648 CA ALA A 45 6.300 11.504 -2.268 1.00 15.00 C ATOM 649 C ALA A 45 4.893 10.917 -2.177 1.00 15.00 C ATOM 650 O ALA A 45 4.005 11.307 -2.935 1.00 15.00 O ATOM 651 CB ALA A 45 6.981 11.020 -3.538 1.00 15.00 C ATOM 0 H ALA A 45 7.991 10.690 -1.336 1.00 15.00 H new ATOM 0 HA ALA A 45 6.194 12.589 -2.290 1.00 15.00 H new ATOM 0 HB1 ALA A 45 6.361 11.267 -4.400 1.00 15.00 H new ATOM 0 HB2 ALA A 45 7.952 11.506 -3.638 1.00 15.00 H new ATOM 0 HB3 ALA A 45 7.119 9.940 -3.488 1.00 15.00 H new ATOM 657 N ALA A 46 4.688 9.978 -1.261 1.00 15.00 N ATOM 658 CA ALA A 46 3.382 9.351 -1.103 1.00 15.00 C ATOM 659 C ALA A 46 2.389 10.315 -0.469 1.00 15.00 C ATOM 660 O ALA A 46 1.331 10.596 -1.041 1.00 15.00 O ATOM 661 CB ALA A 46 3.499 8.090 -0.263 1.00 15.00 C ATOM 0 H ALA A 46 5.404 9.636 -0.620 1.00 15.00 H new ATOM 0 HA ALA A 46 3.013 9.082 -2.093 1.00 15.00 H new ATOM 0 HB1 ALA A 46 2.515 7.633 -0.154 1.00 15.00 H new ATOM 0 HB2 ALA A 46 4.173 7.388 -0.753 1.00 15.00 H new ATOM 0 HB3 ALA A 46 3.892 8.344 0.721 1.00 15.00 H new ATOM 667 N GLU A 47 2.742 10.824 0.710 1.00 15.00 N ATOM 668 CA GLU A 47 1.890 11.772 1.421 1.00 15.00 C ATOM 669 C GLU A 47 1.615 12.995 0.548 1.00 15.00 C ATOM 670 O GLU A 47 0.491 13.495 0.493 1.00 15.00 O ATOM 671 CB GLU A 47 2.549 12.215 2.737 1.00 15.00 C ATOM 672 CG GLU A 47 3.773 13.084 2.512 1.00 15.00 C ATOM 673 CD GLU A 47 3.427 14.550 2.327 1.00 15.00 C ATOM 674 OE1 GLU A 47 2.341 14.966 2.783 1.00 15.00 O ATOM 675 OE2 GLU A 47 4.242 15.282 1.728 1.00 15.00 O ATOM 0 H GLU A 47 3.612 10.595 1.192 1.00 15.00 H new ATOM 0 HA GLU A 47 0.948 11.275 1.650 1.00 15.00 H new ATOM 0 HB2 GLU A 47 1.823 12.764 3.336 1.00 15.00 H new ATOM 0 HB3 GLU A 47 2.834 11.334 3.311 1.00 15.00 H new ATOM 0 HG2 GLU A 47 4.449 12.979 3.361 1.00 15.00 H new ATOM 0 HG3 GLU A 47 4.309 12.728 1.632 1.00 15.00 H new ATOM 682 N SER A 48 2.663 13.477 -0.126 1.00 15.00 N ATOM 683 CA SER A 48 2.554 14.648 -0.990 1.00 15.00 C ATOM 684 C SER A 48 1.439 14.460 -2.004 1.00 15.00 C ATOM 685 O SER A 48 0.387 15.091 -1.908 1.00 15.00 O ATOM 686 CB SER A 48 3.880 14.906 -1.709 1.00 15.00 C ATOM 687 OG SER A 48 4.201 16.286 -1.708 1.00 15.00 O ATOM 0 H SER A 48 3.598 13.070 -0.087 1.00 15.00 H new ATOM 0 HA SER A 48 2.318 15.512 -0.368 1.00 15.00 H new ATOM 0 HB2 SER A 48 4.677 14.344 -1.222 1.00 15.00 H new ATOM 0 HB3 SER A 48 3.817 14.545 -2.736 1.00 15.00 H new ATOM 0 HG SER A 48 5.053 16.424 -2.172 1.00 15.00 H new ATOM 693 N ASP A 49 1.663 13.571 -2.964 1.00 15.00 N ATOM 694 CA ASP A 49 0.655 13.292 -3.973 1.00 15.00 C ATOM 695 C ASP A 49 -0.617 12.814 -3.289 1.00 15.00 C ATOM 696 O ASP A 49 -1.726 13.204 -3.657 1.00 15.00 O ATOM 697 CB ASP A 49 1.157 12.234 -4.958 1.00 15.00 C ATOM 698 CG ASP A 49 1.269 12.769 -6.372 1.00 15.00 C ATOM 699 OD1 ASP A 49 1.858 13.856 -6.550 1.00 15.00 O ATOM 700 OD2 ASP A 49 0.769 12.101 -7.301 1.00 15.00 O ATOM 0 H ASP A 49 2.526 13.037 -3.063 1.00 15.00 H new ATOM 0 HA ASP A 49 0.447 14.204 -4.533 1.00 15.00 H new ATOM 0 HB2 ASP A 49 2.131 11.871 -4.632 1.00 15.00 H new ATOM 0 HB3 ASP A 49 0.479 11.381 -4.948 1.00 15.00 H new ATOM 705 N GLY A 50 -0.437 11.971 -2.277 1.00 15.00 N ATOM 706 CA GLY A 50 -1.561 11.449 -1.533 1.00 15.00 C ATOM 707 C GLY A 50 -2.221 10.294 -2.253 1.00 15.00 C ATOM 708 O GLY A 50 -3.448 10.200 -2.296 1.00 15.00 O ATOM 0 H GLY A 50 0.474 11.640 -1.960 1.00 15.00 H new ATOM 0 HA2 GLY A 50 -1.225 11.121 -0.549 1.00 15.00 H new ATOM 0 HA3 GLY A 50 -2.291 12.242 -1.372 1.00 15.00 H new ATOM 712 N ARG A 51 -1.408 9.417 -2.832 1.00 15.00 N ATOM 713 CA ARG A 51 -1.936 8.271 -3.566 1.00 15.00 C ATOM 714 C ARG A 51 -2.351 7.164 -2.607 1.00 15.00 C ATOM 715 O ARG A 51 -3.466 6.647 -2.683 1.00 15.00 O ATOM 716 CB ARG A 51 -0.905 7.741 -4.565 1.00 15.00 C ATOM 717 CG ARG A 51 -1.036 8.347 -5.953 1.00 15.00 C ATOM 718 CD ARG A 51 -2.188 7.724 -6.727 1.00 15.00 C ATOM 719 NE ARG A 51 -3.338 8.620 -6.813 1.00 15.00 N ATOM 720 CZ ARG A 51 -4.568 8.217 -7.122 1.00 15.00 C ATOM 721 NH1 ARG A 51 -4.810 6.937 -7.374 1.00 15.00 N ATOM 722 NH2 ARG A 51 -5.560 9.096 -7.180 1.00 15.00 N ATOM 0 H ARG A 51 -0.390 9.476 -2.809 1.00 15.00 H new ATOM 0 HA ARG A 51 -2.815 8.603 -4.119 1.00 15.00 H new ATOM 0 HB2 ARG A 51 0.096 7.942 -4.183 1.00 15.00 H new ATOM 0 HB3 ARG A 51 -1.006 6.658 -4.639 1.00 15.00 H new ATOM 0 HG2 ARG A 51 -1.193 9.422 -5.868 1.00 15.00 H new ATOM 0 HG3 ARG A 51 -0.106 8.203 -6.503 1.00 15.00 H new ATOM 0 HD2 ARG A 51 -1.853 7.467 -7.732 1.00 15.00 H new ATOM 0 HD3 ARG A 51 -2.488 6.794 -6.244 1.00 15.00 H new ATOM 0 HE ARG A 51 -3.190 9.612 -6.625 1.00 15.00 H new ATOM 0 HH11 ARG A 51 -4.051 6.257 -7.331 1.00 15.00 H new ATOM 0 HH12 ARG A 51 -5.755 6.633 -7.610 1.00 15.00 H new ATOM 0 HH21 ARG A 51 -5.380 10.081 -6.988 1.00 15.00 H new ATOM 0 HH22 ARG A 51 -6.503 8.786 -7.417 1.00 15.00 H new ATOM 736 N ILE A 52 -1.452 6.813 -1.699 1.00 15.00 N ATOM 737 CA ILE A 52 -1.723 5.782 -0.719 1.00 15.00 C ATOM 738 C ILE A 52 -2.540 6.354 0.440 1.00 15.00 C ATOM 739 O ILE A 52 -2.625 7.572 0.600 1.00 15.00 O ATOM 740 CB ILE A 52 -0.405 5.180 -0.199 1.00 15.00 C ATOM 741 CG1 ILE A 52 -0.680 3.915 0.606 1.00 15.00 C ATOM 742 CG2 ILE A 52 0.366 6.201 0.626 1.00 15.00 C ATOM 743 CD1 ILE A 52 -1.486 2.887 -0.152 1.00 15.00 C ATOM 0 H ILE A 52 -0.525 7.232 -1.624 1.00 15.00 H new ATOM 0 HA ILE A 52 -2.302 4.991 -1.196 1.00 15.00 H new ATOM 0 HB ILE A 52 0.214 4.909 -1.054 1.00 15.00 H new ATOM 0 HG12 ILE A 52 0.269 3.472 0.908 1.00 15.00 H new ATOM 0 HG13 ILE A 52 -1.212 4.182 1.519 1.00 15.00 H new ATOM 0 HG21 ILE A 52 1.294 5.754 0.983 1.00 15.00 H new ATOM 0 HG22 ILE A 52 0.596 7.069 0.008 1.00 15.00 H new ATOM 0 HG23 ILE A 52 -0.239 6.512 1.478 1.00 15.00 H new ATOM 0 HD11 ILE A 52 -1.645 2.012 0.479 1.00 15.00 H new ATOM 0 HD12 ILE A 52 -2.449 3.314 -0.431 1.00 15.00 H new ATOM 0 HD13 ILE A 52 -0.946 2.592 -1.051 1.00 15.00 H new ATOM 755 N HIS A 53 -3.154 5.484 1.237 1.00 15.00 N ATOM 756 CA HIS A 53 -3.973 5.937 2.358 1.00 15.00 C ATOM 757 C HIS A 53 -3.925 4.977 3.528 1.00 15.00 C ATOM 758 O HIS A 53 -3.547 3.817 3.395 1.00 15.00 O ATOM 759 CB HIS A 53 -5.421 6.146 1.912 1.00 15.00 C ATOM 760 CG HIS A 53 -5.579 7.202 0.863 1.00 15.00 C ATOM 761 ND1 HIS A 53 -5.789 6.914 -0.470 1.00 15.00 N ATOM 762 CD2 HIS A 53 -5.560 8.554 0.954 1.00 15.00 C ATOM 763 CE1 HIS A 53 -5.890 8.041 -1.152 1.00 15.00 C ATOM 764 NE2 HIS A 53 -5.756 9.050 -0.311 1.00 15.00 N ATOM 0 H HIS A 53 -3.101 4.471 1.130 1.00 15.00 H new ATOM 0 HA HIS A 53 -3.557 6.886 2.695 1.00 15.00 H new ATOM 0 HB2 HIS A 53 -5.814 5.204 1.529 1.00 15.00 H new ATOM 0 HB3 HIS A 53 -6.024 6.414 2.779 1.00 15.00 H new ATOM 0 HD2 HIS A 53 -5.417 9.133 1.854 1.00 15.00 H new ATOM 0 HE1 HIS A 53 -6.054 8.123 -2.216 1.00 15.00 H new ATOM 0 HE2 HIS A 53 -5.792 10.038 -0.561 1.00 15.00 H new ATOM 773 N LYS A 54 -4.302 5.505 4.682 1.00 15.00 N ATOM 774 CA LYS A 54 -4.304 4.761 5.926 1.00 15.00 C ATOM 775 C LYS A 54 -4.881 3.351 5.767 1.00 15.00 C ATOM 776 O LYS A 54 -5.932 3.162 5.154 1.00 15.00 O ATOM 777 CB LYS A 54 -5.099 5.529 6.985 1.00 15.00 C ATOM 778 CG LYS A 54 -4.231 6.210 8.027 1.00 15.00 C ATOM 779 CD LYS A 54 -5.046 6.644 9.234 1.00 15.00 C ATOM 780 CE LYS A 54 -4.988 5.610 10.347 1.00 15.00 C ATOM 781 NZ LYS A 54 -5.750 6.046 11.549 1.00 15.00 N ATOM 0 H LYS A 54 -4.617 6.470 4.779 1.00 15.00 H new ATOM 0 HA LYS A 54 -3.266 4.651 6.240 1.00 15.00 H new ATOM 0 HB2 LYS A 54 -5.714 6.281 6.490 1.00 15.00 H new ATOM 0 HB3 LYS A 54 -5.779 4.840 7.486 1.00 15.00 H new ATOM 0 HG2 LYS A 54 -3.442 5.529 8.346 1.00 15.00 H new ATOM 0 HG3 LYS A 54 -3.744 7.079 7.584 1.00 15.00 H new ATOM 0 HD2 LYS A 54 -4.671 7.599 9.603 1.00 15.00 H new ATOM 0 HD3 LYS A 54 -6.083 6.802 8.937 1.00 15.00 H new ATOM 0 HE2 LYS A 54 -5.391 4.664 9.985 1.00 15.00 H new ATOM 0 HE3 LYS A 54 -3.949 5.430 10.622 1.00 15.00 H new ATOM 0 HZ1 LYS A 54 -5.686 5.314 12.285 1.00 15.00 H new ATOM 0 HZ2 LYS A 54 -5.350 6.936 11.910 1.00 15.00 H new ATOM 0 HZ3 LYS A 54 -6.747 6.193 11.293 1.00 15.00 H new ATOM 795 N GLY A 55 -4.185 2.369 6.339 1.00 15.00 N ATOM 796 CA GLY A 55 -4.631 0.986 6.275 1.00 15.00 C ATOM 797 C GLY A 55 -4.984 0.527 4.875 1.00 15.00 C ATOM 798 O GLY A 55 -5.878 -0.302 4.702 1.00 15.00 O ATOM 0 H GLY A 55 -3.313 2.509 6.850 1.00 15.00 H new ATOM 0 HA2 GLY A 55 -3.847 0.341 6.673 1.00 15.00 H new ATOM 0 HA3 GLY A 55 -5.502 0.864 6.919 1.00 15.00 H new ATOM 802 N ASP A 56 -4.285 1.047 3.872 1.00 15.00 N ATOM 803 CA ASP A 56 -4.554 0.647 2.495 1.00 15.00 C ATOM 804 C ASP A 56 -4.200 -0.820 2.284 1.00 15.00 C ATOM 805 O ASP A 56 -3.105 -1.258 2.642 1.00 15.00 O ATOM 806 CB ASP A 56 -3.780 1.521 1.505 1.00 15.00 C ATOM 807 CG ASP A 56 -4.697 2.245 0.540 1.00 15.00 C ATOM 808 OD1 ASP A 56 -5.529 1.572 -0.103 1.00 15.00 O ATOM 809 OD2 ASP A 56 -4.583 3.484 0.429 1.00 15.00 O ATOM 0 H ASP A 56 -3.540 1.735 3.982 1.00 15.00 H new ATOM 0 HA ASP A 56 -5.620 0.783 2.312 1.00 15.00 H new ATOM 0 HB2 ASP A 56 -3.186 2.251 2.055 1.00 15.00 H new ATOM 0 HB3 ASP A 56 -3.082 0.900 0.943 1.00 15.00 H new ATOM 814 N ARG A 57 -5.123 -1.575 1.696 1.00 15.00 N ATOM 815 CA ARG A 57 -4.891 -2.988 1.433 1.00 15.00 C ATOM 816 C ARG A 57 -4.100 -3.163 0.142 1.00 15.00 C ATOM 817 O ARG A 57 -4.677 -3.309 -0.936 1.00 15.00 O ATOM 818 CB ARG A 57 -6.216 -3.747 1.341 1.00 15.00 C ATOM 819 CG ARG A 57 -6.057 -5.253 1.468 1.00 15.00 C ATOM 820 CD ARG A 57 -7.398 -5.966 1.425 1.00 15.00 C ATOM 821 NE ARG A 57 -7.334 -7.284 2.053 1.00 15.00 N ATOM 822 CZ ARG A 57 -8.179 -8.277 1.784 1.00 15.00 C ATOM 823 NH1 ARG A 57 -9.154 -8.108 0.900 1.00 15.00 N ATOM 824 NH2 ARG A 57 -8.049 -9.443 2.402 1.00 15.00 N ATOM 0 H ARG A 57 -6.035 -1.232 1.394 1.00 15.00 H new ATOM 0 HA ARG A 57 -4.313 -3.398 2.261 1.00 15.00 H new ATOM 0 HB2 ARG A 57 -6.885 -3.392 2.125 1.00 15.00 H new ATOM 0 HB3 ARG A 57 -6.692 -3.518 0.388 1.00 15.00 H new ATOM 0 HG2 ARG A 57 -5.423 -5.621 0.661 1.00 15.00 H new ATOM 0 HG3 ARG A 57 -5.550 -5.488 2.404 1.00 15.00 H new ATOM 0 HD2 ARG A 57 -8.149 -5.359 1.931 1.00 15.00 H new ATOM 0 HD3 ARG A 57 -7.720 -6.073 0.389 1.00 15.00 H new ATOM 0 HE ARG A 57 -6.598 -7.453 2.738 1.00 15.00 H new ATOM 0 HH11 ARG A 57 -9.259 -7.213 0.422 1.00 15.00 H new ATOM 0 HH12 ARG A 57 -9.798 -8.873 0.699 1.00 15.00 H new ATOM 0 HH21 ARG A 57 -7.302 -9.579 3.083 1.00 15.00 H new ATOM 0 HH22 ARG A 57 -8.696 -10.204 2.196 1.00 15.00 H new ATOM 838 N VAL A 58 -2.775 -3.135 0.255 1.00 15.00 N ATOM 839 CA VAL A 58 -1.911 -3.278 -0.909 1.00 15.00 C ATOM 840 C VAL A 58 -1.784 -4.744 -1.322 1.00 15.00 C ATOM 841 O VAL A 58 -1.223 -5.566 -0.593 1.00 15.00 O ATOM 842 CB VAL A 58 -0.513 -2.663 -0.658 1.00 15.00 C ATOM 843 CG1 VAL A 58 -0.641 -1.343 0.089 1.00 15.00 C ATOM 844 CG2 VAL A 58 0.392 -3.621 0.106 1.00 15.00 C ATOM 0 H VAL A 58 -2.279 -3.015 1.138 1.00 15.00 H new ATOM 0 HA VAL A 58 -2.377 -2.729 -1.727 1.00 15.00 H new ATOM 0 HB VAL A 58 -0.053 -2.477 -1.629 1.00 15.00 H new ATOM 0 HG11 VAL A 58 0.351 -0.923 0.258 1.00 15.00 H new ATOM 0 HG12 VAL A 58 -1.234 -0.646 -0.503 1.00 15.00 H new ATOM 0 HG13 VAL A 58 -1.131 -1.513 1.048 1.00 15.00 H new ATOM 0 HG21 VAL A 58 1.365 -3.155 0.264 1.00 15.00 H new ATOM 0 HG22 VAL A 58 -0.058 -3.856 1.070 1.00 15.00 H new ATOM 0 HG23 VAL A 58 0.518 -4.539 -0.469 1.00 15.00 H new ATOM 854 N LEU A 59 -2.339 -5.064 -2.489 1.00 15.00 N ATOM 855 CA LEU A 59 -2.314 -6.430 -3.002 1.00 15.00 C ATOM 856 C LEU A 59 -1.345 -6.601 -4.175 1.00 15.00 C ATOM 857 O LEU A 59 -1.068 -7.727 -4.587 1.00 15.00 O ATOM 858 CB LEU A 59 -3.719 -6.855 -3.430 1.00 15.00 C ATOM 859 CG LEU A 59 -4.778 -6.803 -2.326 1.00 15.00 C ATOM 860 CD1 LEU A 59 -6.080 -7.422 -2.809 1.00 15.00 C ATOM 861 CD2 LEU A 59 -4.280 -7.512 -1.074 1.00 15.00 C ATOM 0 H LEU A 59 -2.812 -4.395 -3.097 1.00 15.00 H new ATOM 0 HA LEU A 59 -1.960 -7.067 -2.192 1.00 15.00 H new ATOM 0 HB2 LEU A 59 -4.041 -6.215 -4.251 1.00 15.00 H new ATOM 0 HB3 LEU A 59 -3.671 -7.872 -3.819 1.00 15.00 H new ATOM 0 HG LEU A 59 -4.965 -5.759 -2.076 1.00 15.00 H new ATOM 0 HD11 LEU A 59 -6.822 -7.377 -2.012 1.00 15.00 H new ATOM 0 HD12 LEU A 59 -6.445 -6.871 -3.676 1.00 15.00 H new ATOM 0 HD13 LEU A 59 -5.908 -8.462 -3.086 1.00 15.00 H new ATOM 0 HD21 LEU A 59 -5.046 -7.465 -0.300 1.00 15.00 H new ATOM 0 HD22 LEU A 59 -4.064 -8.555 -1.308 1.00 15.00 H new ATOM 0 HD23 LEU A 59 -3.373 -7.025 -0.717 1.00 15.00 H new ATOM 873 N ALA A 60 -0.849 -5.498 -4.732 1.00 15.00 N ATOM 874 CA ALA A 60 0.061 -5.585 -5.873 1.00 15.00 C ATOM 875 C ALA A 60 1.035 -4.410 -5.941 1.00 15.00 C ATOM 876 O ALA A 60 0.699 -3.280 -5.591 1.00 15.00 O ATOM 877 CB ALA A 60 -0.738 -5.679 -7.164 1.00 15.00 C ATOM 0 H ALA A 60 -1.057 -4.550 -4.419 1.00 15.00 H new ATOM 0 HA ALA A 60 0.660 -6.486 -5.741 1.00 15.00 H new ATOM 0 HB1 ALA A 60 -0.055 -5.744 -8.011 1.00 15.00 H new ATOM 0 HB2 ALA A 60 -1.368 -6.568 -7.138 1.00 15.00 H new ATOM 0 HB3 ALA A 60 -1.364 -4.793 -7.270 1.00 15.00 H new ATOM 883 N VAL A 61 2.241 -4.701 -6.423 1.00 15.00 N ATOM 884 CA VAL A 61 3.290 -3.699 -6.583 1.00 15.00 C ATOM 885 C VAL A 61 4.024 -3.939 -7.892 1.00 15.00 C ATOM 886 O VAL A 61 4.951 -4.746 -7.957 1.00 15.00 O ATOM 887 CB VAL A 61 4.304 -3.735 -5.424 1.00 15.00 C ATOM 888 CG1 VAL A 61 5.310 -2.602 -5.560 1.00 15.00 C ATOM 889 CG2 VAL A 61 3.586 -3.668 -4.085 1.00 15.00 C ATOM 0 H VAL A 61 2.518 -5.639 -6.714 1.00 15.00 H new ATOM 0 HA VAL A 61 2.813 -2.719 -6.584 1.00 15.00 H new ATOM 0 HB VAL A 61 4.849 -4.678 -5.469 1.00 15.00 H new ATOM 0 HG11 VAL A 61 6.018 -2.643 -4.733 1.00 15.00 H new ATOM 0 HG12 VAL A 61 5.847 -2.704 -6.503 1.00 15.00 H new ATOM 0 HG13 VAL A 61 4.786 -1.646 -5.542 1.00 15.00 H new ATOM 0 HG21 VAL A 61 4.318 -3.695 -3.278 1.00 15.00 H new ATOM 0 HG22 VAL A 61 3.013 -2.743 -4.025 1.00 15.00 H new ATOM 0 HG23 VAL A 61 2.911 -4.519 -3.991 1.00 15.00 H new ATOM 899 N ASN A 62 3.581 -3.259 -8.943 1.00 15.00 N ATOM 900 CA ASN A 62 4.173 -3.425 -10.263 1.00 15.00 C ATOM 901 C ASN A 62 3.824 -4.803 -10.822 1.00 15.00 C ATOM 902 O ASN A 62 4.456 -5.284 -11.762 1.00 15.00 O ATOM 903 CB ASN A 62 5.692 -3.241 -10.204 1.00 15.00 C ATOM 904 CG ASN A 62 6.093 -1.990 -9.446 1.00 15.00 C ATOM 905 OD1 ASN A 62 7.089 -1.982 -8.722 1.00 15.00 O ATOM 906 ND2 ASN A 62 5.317 -0.922 -9.608 1.00 15.00 N ATOM 0 H ASN A 62 2.814 -2.588 -8.906 1.00 15.00 H new ATOM 0 HA ASN A 62 3.765 -2.661 -10.925 1.00 15.00 H new ATOM 0 HB2 ASN A 62 6.143 -4.112 -9.727 1.00 15.00 H new ATOM 0 HB3 ASN A 62 6.089 -3.191 -11.218 1.00 15.00 H new ATOM 0 HD21 ASN A 62 5.538 -0.053 -9.123 1.00 15.00 H new ATOM 0 HD22 ASN A 62 4.501 -0.972 -10.218 1.00 15.00 H new ATOM 913 N GLY A 63 2.800 -5.426 -10.236 1.00 15.00 N ATOM 914 CA GLY A 63 2.362 -6.734 -10.681 1.00 15.00 C ATOM 915 C GLY A 63 2.723 -7.852 -9.720 1.00 15.00 C ATOM 916 O GLY A 63 2.474 -9.023 -10.010 1.00 15.00 O ATOM 0 H GLY A 63 2.266 -5.042 -9.457 1.00 15.00 H new ATOM 0 HA2 GLY A 63 1.281 -6.719 -10.819 1.00 15.00 H new ATOM 0 HA3 GLY A 63 2.805 -6.945 -11.654 1.00 15.00 H new ATOM 920 N VAL A 64 3.293 -7.505 -8.570 1.00 15.00 N ATOM 921 CA VAL A 64 3.658 -8.510 -7.579 1.00 15.00 C ATOM 922 C VAL A 64 2.537 -8.690 -6.556 1.00 15.00 C ATOM 923 O VAL A 64 2.346 -7.861 -5.667 1.00 15.00 O ATOM 924 CB VAL A 64 4.986 -8.162 -6.865 1.00 15.00 C ATOM 925 CG1 VAL A 64 4.793 -7.062 -5.834 1.00 15.00 C ATOM 926 CG2 VAL A 64 5.584 -9.404 -6.221 1.00 15.00 C ATOM 0 H VAL A 64 3.510 -6.545 -8.303 1.00 15.00 H new ATOM 0 HA VAL A 64 3.806 -9.450 -8.111 1.00 15.00 H new ATOM 0 HB VAL A 64 5.681 -7.789 -7.617 1.00 15.00 H new ATOM 0 HG11 VAL A 64 5.746 -6.843 -5.352 1.00 15.00 H new ATOM 0 HG12 VAL A 64 4.421 -6.163 -6.326 1.00 15.00 H new ATOM 0 HG13 VAL A 64 4.074 -7.389 -5.083 1.00 15.00 H new ATOM 0 HG21 VAL A 64 6.518 -9.142 -5.723 1.00 15.00 H new ATOM 0 HG22 VAL A 64 4.884 -9.808 -5.490 1.00 15.00 H new ATOM 0 HG23 VAL A 64 5.780 -10.153 -6.988 1.00 15.00 H new ATOM 936 N SER A 65 1.786 -9.774 -6.701 1.00 15.00 N ATOM 937 CA SER A 65 0.673 -10.062 -5.802 1.00 15.00 C ATOM 938 C SER A 65 1.140 -10.124 -4.352 1.00 15.00 C ATOM 939 O SER A 65 2.147 -10.759 -4.038 1.00 15.00 O ATOM 940 CB SER A 65 0.004 -11.381 -6.192 1.00 15.00 C ATOM 941 OG SER A 65 -0.780 -11.229 -7.363 1.00 15.00 O ATOM 0 H SER A 65 1.927 -10.470 -7.433 1.00 15.00 H new ATOM 0 HA SER A 65 -0.051 -9.253 -5.894 1.00 15.00 H new ATOM 0 HB2 SER A 65 0.765 -12.144 -6.357 1.00 15.00 H new ATOM 0 HB3 SER A 65 -0.625 -11.730 -5.373 1.00 15.00 H new ATOM 0 HG SER A 65 -1.195 -12.087 -7.592 1.00 15.00 H new ATOM 947 N LEU A 66 0.397 -9.462 -3.471 1.00 15.00 N ATOM 948 CA LEU A 66 0.728 -9.441 -2.052 1.00 15.00 C ATOM 949 C LEU A 66 0.093 -10.625 -1.326 1.00 15.00 C ATOM 950 O LEU A 66 0.520 -10.994 -0.232 1.00 15.00 O ATOM 951 CB LEU A 66 0.267 -8.126 -1.416 1.00 15.00 C ATOM 952 CG LEU A 66 1.320 -7.417 -0.565 1.00 15.00 C ATOM 953 CD1 LEU A 66 1.816 -8.334 0.543 1.00 15.00 C ATOM 954 CD2 LEU A 66 2.479 -6.953 -1.433 1.00 15.00 C ATOM 0 H LEU A 66 -0.440 -8.932 -3.716 1.00 15.00 H new ATOM 0 HA LEU A 66 1.811 -9.520 -1.957 1.00 15.00 H new ATOM 0 HB2 LEU A 66 -0.054 -7.450 -2.208 1.00 15.00 H new ATOM 0 HB3 LEU A 66 -0.606 -8.327 -0.795 1.00 15.00 H new ATOM 0 HG LEU A 66 0.861 -6.541 -0.106 1.00 15.00 H new ATOM 0 HD11 LEU A 66 2.565 -7.813 1.139 1.00 15.00 H new ATOM 0 HD12 LEU A 66 0.979 -8.619 1.181 1.00 15.00 H new ATOM 0 HD13 LEU A 66 2.259 -9.228 0.104 1.00 15.00 H new ATOM 0 HD21 LEU A 66 3.220 -6.450 -0.812 1.00 15.00 H new ATOM 0 HD22 LEU A 66 2.937 -7.814 -1.919 1.00 15.00 H new ATOM 0 HD23 LEU A 66 2.112 -6.261 -2.191 1.00 15.00 H new ATOM 966 N GLU A 67 -0.929 -11.219 -1.941 1.00 15.00 N ATOM 967 CA GLU A 67 -1.619 -12.363 -1.351 1.00 15.00 C ATOM 968 C GLU A 67 -0.620 -13.402 -0.850 1.00 15.00 C ATOM 969 O GLU A 67 -0.141 -14.239 -1.615 1.00 15.00 O ATOM 970 CB GLU A 67 -2.564 -12.998 -2.373 1.00 15.00 C ATOM 971 CG GLU A 67 -3.950 -12.376 -2.388 1.00 15.00 C ATOM 972 CD GLU A 67 -4.155 -11.436 -3.560 1.00 15.00 C ATOM 973 OE1 GLU A 67 -3.532 -10.353 -3.568 1.00 15.00 O ATOM 974 OE2 GLU A 67 -4.937 -11.783 -4.470 1.00 15.00 O ATOM 0 H GLU A 67 -1.296 -10.927 -2.847 1.00 15.00 H new ATOM 0 HA GLU A 67 -2.201 -12.006 -0.501 1.00 15.00 H new ATOM 0 HB2 GLU A 67 -2.124 -12.909 -3.366 1.00 15.00 H new ATOM 0 HB3 GLU A 67 -2.655 -14.063 -2.159 1.00 15.00 H new ATOM 0 HG2 GLU A 67 -4.699 -13.167 -2.426 1.00 15.00 H new ATOM 0 HG3 GLU A 67 -4.110 -11.831 -1.458 1.00 15.00 H new ATOM 981 N GLY A 68 -0.307 -13.337 0.439 1.00 15.00 N ATOM 982 CA GLY A 68 0.637 -14.270 1.021 1.00 15.00 C ATOM 983 C GLY A 68 1.957 -13.610 1.369 1.00 15.00 C ATOM 984 O GLY A 68 2.993 -13.932 0.788 1.00 15.00 O ATOM 0 H GLY A 68 -0.691 -12.654 1.091 1.00 15.00 H new ATOM 0 HA2 GLY A 68 0.204 -14.708 1.920 1.00 15.00 H new ATOM 0 HA3 GLY A 68 0.815 -15.087 0.322 1.00 15.00 H new ATOM 988 N ALA A 69 1.918 -12.683 2.320 1.00 15.00 N ATOM 989 CA ALA A 69 3.116 -11.972 2.746 1.00 15.00 C ATOM 990 C ALA A 69 2.826 -11.100 3.963 1.00 15.00 C ATOM 991 O ALA A 69 1.682 -10.725 4.214 1.00 15.00 O ATOM 992 CB ALA A 69 3.662 -11.128 1.605 1.00 15.00 C ATOM 0 H ALA A 69 1.068 -12.407 2.811 1.00 15.00 H new ATOM 0 HA ALA A 69 3.869 -12.708 3.028 1.00 15.00 H new ATOM 0 HB1 ALA A 69 4.557 -10.602 1.937 1.00 15.00 H new ATOM 0 HB2 ALA A 69 3.912 -11.773 0.763 1.00 15.00 H new ATOM 0 HB3 ALA A 69 2.909 -10.403 1.296 1.00 15.00 H new ATOM 998 N THR A 70 3.868 -10.788 4.721 1.00 15.00 N ATOM 999 CA THR A 70 3.724 -9.969 5.917 1.00 15.00 C ATOM 1000 C THR A 70 3.958 -8.491 5.610 1.00 15.00 C ATOM 1001 O THR A 70 4.075 -8.093 4.451 1.00 15.00 O ATOM 1002 CB THR A 70 4.706 -10.432 6.994 1.00 15.00 C ATOM 1003 OG1 THR A 70 6.016 -9.973 6.706 1.00 15.00 O ATOM 1004 CG2 THR A 70 4.769 -11.937 7.142 1.00 15.00 C ATOM 0 H THR A 70 4.823 -11.090 4.529 1.00 15.00 H new ATOM 0 HA THR A 70 2.703 -10.086 6.280 1.00 15.00 H new ATOM 0 HB THR A 70 4.333 -10.008 7.927 1.00 15.00 H new ATOM 0 HG1 THR A 70 6.630 -10.277 7.406 1.00 15.00 H new ATOM 0 HG21 THR A 70 5.484 -12.196 7.922 1.00 15.00 H new ATOM 0 HG22 THR A 70 3.784 -12.318 7.412 1.00 15.00 H new ATOM 0 HG23 THR A 70 5.084 -12.383 6.198 1.00 15.00 H new ATOM 1012 N HIS A 71 4.030 -7.689 6.667 1.00 15.00 N ATOM 1013 CA HIS A 71 4.255 -6.254 6.545 1.00 15.00 C ATOM 1014 C HIS A 71 5.575 -5.989 5.841 1.00 15.00 C ATOM 1015 O HIS A 71 5.616 -5.381 4.772 1.00 15.00 O ATOM 1016 CB HIS A 71 4.236 -5.622 7.948 1.00 15.00 C ATOM 1017 CG HIS A 71 4.953 -4.310 8.089 1.00 15.00 C ATOM 1018 ND1 HIS A 71 5.208 -3.738 9.318 1.00 15.00 N ATOM 1019 CD2 HIS A 71 5.444 -3.445 7.168 1.00 15.00 C ATOM 1020 CE1 HIS A 71 5.816 -2.581 9.149 1.00 15.00 C ATOM 1021 NE2 HIS A 71 5.975 -2.379 7.854 1.00 15.00 N ATOM 0 H HIS A 71 3.934 -8.014 7.629 1.00 15.00 H new ATOM 0 HA HIS A 71 3.464 -5.804 5.945 1.00 15.00 H new ATOM 0 HB2 HIS A 71 3.197 -5.480 8.247 1.00 15.00 H new ATOM 0 HB3 HIS A 71 4.675 -6.331 8.650 1.00 15.00 H new ATOM 0 HD2 HIS A 71 5.422 -3.570 6.095 1.00 15.00 H new ATOM 0 HE1 HIS A 71 6.131 -1.912 9.936 1.00 15.00 H new ATOM 0 HE2 HIS A 71 6.420 -1.564 7.431 1.00 15.00 H new ATOM 1030 N LYS A 72 6.650 -6.458 6.451 1.00 15.00 N ATOM 1031 CA LYS A 72 7.984 -6.289 5.895 1.00 15.00 C ATOM 1032 C LYS A 72 8.037 -6.785 4.453 1.00 15.00 C ATOM 1033 O LYS A 72 8.725 -6.207 3.613 1.00 15.00 O ATOM 1034 CB LYS A 72 8.997 -7.045 6.751 1.00 15.00 C ATOM 1035 CG LYS A 72 10.443 -6.682 6.454 1.00 15.00 C ATOM 1036 CD LYS A 72 11.390 -7.278 7.482 1.00 15.00 C ATOM 1037 CE LYS A 72 11.481 -8.789 7.347 1.00 15.00 C ATOM 1038 NZ LYS A 72 12.537 -9.198 6.381 1.00 15.00 N ATOM 0 H LYS A 72 6.625 -6.962 7.337 1.00 15.00 H new ATOM 0 HA LYS A 72 8.232 -5.228 5.898 1.00 15.00 H new ATOM 0 HB2 LYS A 72 8.791 -6.846 7.803 1.00 15.00 H new ATOM 0 HB3 LYS A 72 8.862 -8.116 6.597 1.00 15.00 H new ATOM 0 HG2 LYS A 72 10.712 -7.039 5.460 1.00 15.00 H new ATOM 0 HG3 LYS A 72 10.552 -5.598 6.443 1.00 15.00 H new ATOM 0 HD2 LYS A 72 12.381 -6.841 7.361 1.00 15.00 H new ATOM 0 HD3 LYS A 72 11.048 -7.021 8.485 1.00 15.00 H new ATOM 0 HE2 LYS A 72 11.691 -9.228 8.322 1.00 15.00 H new ATOM 0 HE3 LYS A 72 10.518 -9.183 7.021 1.00 15.00 H new ATOM 0 HZ1 LYS A 72 12.567 -10.236 6.318 1.00 15.00 H new ATOM 0 HZ2 LYS A 72 12.323 -8.800 5.444 1.00 15.00 H new ATOM 0 HZ3 LYS A 72 13.460 -8.844 6.705 1.00 15.00 H new ATOM 1052 N GLN A 73 7.298 -7.855 4.170 1.00 15.00 N ATOM 1053 CA GLN A 73 7.261 -8.415 2.826 1.00 15.00 C ATOM 1054 C GLN A 73 6.754 -7.371 1.843 1.00 15.00 C ATOM 1055 O GLN A 73 7.417 -7.061 0.853 1.00 15.00 O ATOM 1056 CB GLN A 73 6.368 -9.655 2.785 1.00 15.00 C ATOM 1057 CG GLN A 73 6.974 -10.855 3.490 1.00 15.00 C ATOM 1058 CD GLN A 73 6.484 -12.174 2.924 1.00 15.00 C ATOM 1059 OE1 GLN A 73 5.982 -13.028 3.655 1.00 15.00 O ATOM 1060 NE2 GLN A 73 6.629 -12.346 1.615 1.00 15.00 N ATOM 0 H GLN A 73 6.720 -8.348 4.851 1.00 15.00 H new ATOM 0 HA GLN A 73 8.272 -8.709 2.543 1.00 15.00 H new ATOM 0 HB2 GLN A 73 5.408 -9.419 3.245 1.00 15.00 H new ATOM 0 HB3 GLN A 73 6.168 -9.916 1.746 1.00 15.00 H new ATOM 0 HG2 GLN A 73 8.060 -10.810 3.408 1.00 15.00 H new ATOM 0 HG3 GLN A 73 6.733 -10.808 4.552 1.00 15.00 H new ATOM 0 HE21 GLN A 73 7.051 -11.611 1.048 1.00 15.00 H new ATOM 0 HE22 GLN A 73 6.319 -13.213 1.177 1.00 15.00 H new ATOM 1069 N ALA A 74 5.584 -6.814 2.134 1.00 15.00 N ATOM 1070 CA ALA A 74 5.009 -5.783 1.284 1.00 15.00 C ATOM 1071 C ALA A 74 5.888 -4.545 1.314 1.00 15.00 C ATOM 1072 O ALA A 74 6.180 -3.953 0.277 1.00 15.00 O ATOM 1073 CB ALA A 74 3.601 -5.442 1.724 1.00 15.00 C ATOM 0 H ALA A 74 5.019 -7.058 2.947 1.00 15.00 H new ATOM 0 HA ALA A 74 4.959 -6.161 0.263 1.00 15.00 H new ATOM 0 HB1 ALA A 74 3.193 -4.669 1.073 1.00 15.00 H new ATOM 0 HB2 ALA A 74 2.976 -6.333 1.665 1.00 15.00 H new ATOM 0 HB3 ALA A 74 3.619 -5.078 2.751 1.00 15.00 H new ATOM 1079 N VAL A 75 6.335 -4.176 2.515 1.00 15.00 N ATOM 1080 CA VAL A 75 7.218 -3.028 2.686 1.00 15.00 C ATOM 1081 C VAL A 75 8.282 -3.057 1.602 1.00 15.00 C ATOM 1082 O VAL A 75 8.603 -2.039 0.990 1.00 15.00 O ATOM 1083 CB VAL A 75 7.873 -3.053 4.090 1.00 15.00 C ATOM 1084 CG1 VAL A 75 9.382 -3.252 4.016 1.00 15.00 C ATOM 1085 CG2 VAL A 75 7.542 -1.797 4.870 1.00 15.00 C ATOM 0 H VAL A 75 6.098 -4.658 3.382 1.00 15.00 H new ATOM 0 HA VAL A 75 6.639 -2.108 2.602 1.00 15.00 H new ATOM 0 HB VAL A 75 7.454 -3.910 4.618 1.00 15.00 H new ATOM 0 HG11 VAL A 75 9.797 -3.263 5.024 1.00 15.00 H new ATOM 0 HG12 VAL A 75 9.600 -4.199 3.523 1.00 15.00 H new ATOM 0 HG13 VAL A 75 9.829 -2.436 3.448 1.00 15.00 H new ATOM 0 HG21 VAL A 75 8.015 -1.843 5.851 1.00 15.00 H new ATOM 0 HG22 VAL A 75 7.911 -0.925 4.329 1.00 15.00 H new ATOM 0 HG23 VAL A 75 6.462 -1.718 4.991 1.00 15.00 H new ATOM 1095 N GLU A 76 8.798 -4.254 1.358 1.00 15.00 N ATOM 1096 CA GLU A 76 9.802 -4.458 0.331 1.00 15.00 C ATOM 1097 C GLU A 76 9.200 -4.227 -1.052 1.00 15.00 C ATOM 1098 O GLU A 76 9.817 -3.592 -1.902 1.00 15.00 O ATOM 1099 CB GLU A 76 10.380 -5.871 0.422 1.00 15.00 C ATOM 1100 CG GLU A 76 10.884 -6.236 1.809 1.00 15.00 C ATOM 1101 CD GLU A 76 12.322 -6.719 1.800 1.00 15.00 C ATOM 1102 OE1 GLU A 76 13.203 -5.953 1.355 1.00 15.00 O ATOM 1103 OE2 GLU A 76 12.567 -7.862 2.237 1.00 15.00 O ATOM 0 H GLU A 76 8.534 -5.101 1.862 1.00 15.00 H new ATOM 0 HA GLU A 76 10.607 -3.740 0.489 1.00 15.00 H new ATOM 0 HB2 GLU A 76 9.615 -6.587 0.123 1.00 15.00 H new ATOM 0 HB3 GLU A 76 11.200 -5.965 -0.290 1.00 15.00 H new ATOM 0 HG2 GLU A 76 10.801 -5.367 2.462 1.00 15.00 H new ATOM 0 HG3 GLU A 76 10.246 -7.013 2.230 1.00 15.00 H new ATOM 1110 N THR A 77 7.991 -4.747 -1.277 1.00 15.00 N ATOM 1111 CA THR A 77 7.326 -4.584 -2.568 1.00 15.00 C ATOM 1112 C THR A 77 7.019 -3.119 -2.858 1.00 15.00 C ATOM 1113 O THR A 77 7.444 -2.580 -3.879 1.00 15.00 O ATOM 1114 CB THR A 77 6.041 -5.407 -2.631 1.00 15.00 C ATOM 1115 OG1 THR A 77 5.141 -5.021 -1.609 1.00 15.00 O ATOM 1116 CG2 THR A 77 6.276 -6.895 -2.504 1.00 15.00 C ATOM 0 H THR A 77 7.459 -5.279 -0.589 1.00 15.00 H new ATOM 0 HA THR A 77 8.014 -4.947 -3.331 1.00 15.00 H new ATOM 0 HB THR A 77 5.621 -5.206 -3.617 1.00 15.00 H new ATOM 0 HG1 THR A 77 5.629 -4.540 -0.908 1.00 15.00 H new ATOM 0 HG21 THR A 77 5.322 -7.420 -2.557 1.00 15.00 H new ATOM 0 HG22 THR A 77 6.921 -7.232 -3.315 1.00 15.00 H new ATOM 0 HG23 THR A 77 6.755 -7.107 -1.548 1.00 15.00 H new ATOM 1124 N LEU A 78 6.278 -2.475 -1.957 1.00 15.00 N ATOM 1125 CA LEU A 78 5.920 -1.070 -2.135 1.00 15.00 C ATOM 1126 C LEU A 78 7.169 -0.237 -2.379 1.00 15.00 C ATOM 1127 O LEU A 78 7.217 0.585 -3.295 1.00 15.00 O ATOM 1128 CB LEU A 78 5.177 -0.531 -0.906 1.00 15.00 C ATOM 1129 CG LEU A 78 4.233 -1.518 -0.214 1.00 15.00 C ATOM 1130 CD1 LEU A 78 3.403 -0.807 0.844 1.00 15.00 C ATOM 1131 CD2 LEU A 78 3.331 -2.201 -1.230 1.00 15.00 C ATOM 0 H LEU A 78 5.917 -2.900 -1.103 1.00 15.00 H new ATOM 0 HA LEU A 78 5.260 -0.999 -3.000 1.00 15.00 H new ATOM 0 HB2 LEU A 78 5.914 -0.192 -0.179 1.00 15.00 H new ATOM 0 HB3 LEU A 78 4.601 0.344 -1.208 1.00 15.00 H new ATOM 0 HG LEU A 78 4.836 -2.283 0.276 1.00 15.00 H new ATOM 0 HD11 LEU A 78 2.737 -1.523 1.326 1.00 15.00 H new ATOM 0 HD12 LEU A 78 4.064 -0.367 1.590 1.00 15.00 H new ATOM 0 HD13 LEU A 78 2.812 -0.021 0.375 1.00 15.00 H new ATOM 0 HD21 LEU A 78 2.668 -2.898 -0.717 1.00 15.00 H new ATOM 0 HD22 LEU A 78 2.736 -1.451 -1.751 1.00 15.00 H new ATOM 0 HD23 LEU A 78 3.941 -2.744 -1.951 1.00 15.00 H new ATOM 1143 N ARG A 79 8.181 -0.466 -1.555 1.00 15.00 N ATOM 1144 CA ARG A 79 9.442 0.246 -1.674 1.00 15.00 C ATOM 1145 C ARG A 79 10.177 -0.166 -2.949 1.00 15.00 C ATOM 1146 O ARG A 79 10.484 0.671 -3.797 1.00 15.00 O ATOM 1147 CB ARG A 79 10.310 -0.031 -0.445 1.00 15.00 C ATOM 1148 CG ARG A 79 11.234 1.120 -0.079 1.00 15.00 C ATOM 1149 CD ARG A 79 12.614 0.624 0.327 1.00 15.00 C ATOM 1150 NE ARG A 79 12.990 1.085 1.661 1.00 15.00 N ATOM 1151 CZ ARG A 79 14.242 1.107 2.112 1.00 15.00 C ATOM 1152 NH1 ARG A 79 15.240 0.696 1.339 1.00 15.00 N ATOM 1153 NH2 ARG A 79 14.497 1.542 3.338 1.00 15.00 N ATOM 0 H ARG A 79 8.151 -1.144 -0.793 1.00 15.00 H new ATOM 0 HA ARG A 79 9.237 1.315 -1.732 1.00 15.00 H new ATOM 0 HB2 ARG A 79 9.663 -0.250 0.404 1.00 15.00 H new ATOM 0 HB3 ARG A 79 10.909 -0.923 -0.628 1.00 15.00 H new ATOM 0 HG2 ARG A 79 11.326 1.798 -0.928 1.00 15.00 H new ATOM 0 HG3 ARG A 79 10.797 1.692 0.740 1.00 15.00 H new ATOM 0 HD2 ARG A 79 12.630 -0.466 0.302 1.00 15.00 H new ATOM 0 HD3 ARG A 79 13.351 0.970 -0.397 1.00 15.00 H new ATOM 0 HE ARG A 79 12.250 1.409 2.283 1.00 15.00 H new ATOM 0 HH11 ARG A 79 15.049 0.361 0.395 1.00 15.00 H new ATOM 0 HH12 ARG A 79 16.198 0.715 1.690 1.00 15.00 H new ATOM 0 HH21 ARG A 79 13.734 1.860 3.935 1.00 15.00 H new ATOM 0 HH22 ARG A 79 15.456 1.559 3.684 1.00 15.00 H new ATOM 1167 N ASN A 80 10.456 -1.461 -3.070 1.00 15.00 N ATOM 1168 CA ASN A 80 11.154 -2.001 -4.235 1.00 15.00 C ATOM 1169 C ASN A 80 10.323 -1.869 -5.511 1.00 15.00 C ATOM 1170 O ASN A 80 9.963 -2.871 -6.130 1.00 15.00 O ATOM 1171 CB ASN A 80 11.509 -3.472 -4.006 1.00 15.00 C ATOM 1172 CG ASN A 80 12.385 -3.673 -2.785 1.00 15.00 C ATOM 1173 OD1 ASN A 80 13.067 -2.750 -2.338 1.00 15.00 O ATOM 1174 ND2 ASN A 80 12.373 -4.883 -2.240 1.00 15.00 N ATOM 0 H ASN A 80 10.208 -2.161 -2.371 1.00 15.00 H new ATOM 0 HA ASN A 80 12.066 -1.417 -4.364 1.00 15.00 H new ATOM 0 HB2 ASN A 80 10.592 -4.050 -3.891 1.00 15.00 H new ATOM 0 HB3 ASN A 80 12.022 -3.860 -4.886 1.00 15.00 H new ATOM 0 HD21 ASN A 80 12.944 -5.078 -1.418 1.00 15.00 H new ATOM 0 HD22 ASN A 80 11.793 -5.618 -2.644 1.00 15.00 H new ATOM 1181 N THR A 81 10.031 -0.638 -5.914 1.00 15.00 N ATOM 1182 CA THR A 81 9.257 -0.405 -7.129 1.00 15.00 C ATOM 1183 C THR A 81 10.194 -0.212 -8.318 1.00 15.00 C ATOM 1184 O THR A 81 10.399 -1.130 -9.112 1.00 15.00 O ATOM 1185 CB THR A 81 8.342 0.811 -6.963 1.00 15.00 C ATOM 1186 OG1 THR A 81 8.665 1.527 -5.784 1.00 15.00 O ATOM 1187 CG2 THR A 81 6.873 0.447 -6.891 1.00 15.00 C ATOM 0 H THR A 81 10.316 0.209 -5.422 1.00 15.00 H new ATOM 0 HA THR A 81 8.630 -1.277 -7.315 1.00 15.00 H new ATOM 0 HB THR A 81 8.508 1.420 -7.851 1.00 15.00 H new ATOM 0 HG1 THR A 81 8.144 1.173 -5.033 1.00 15.00 H new ATOM 0 HG21 THR A 81 6.279 1.353 -6.773 1.00 15.00 H new ATOM 0 HG22 THR A 81 6.579 -0.063 -7.808 1.00 15.00 H new ATOM 0 HG23 THR A 81 6.703 -0.212 -6.039 1.00 15.00 H new ATOM 1195 N GLY A 82 10.771 0.981 -8.428 1.00 15.00 N ATOM 1196 CA GLY A 82 11.690 1.263 -9.510 1.00 15.00 C ATOM 1197 C GLY A 82 11.262 2.443 -10.356 1.00 15.00 C ATOM 1198 O GLY A 82 11.351 3.594 -9.928 1.00 15.00 O ATOM 0 H GLY A 82 10.616 1.757 -7.784 1.00 15.00 H new ATOM 0 HA2 GLY A 82 12.680 1.459 -9.097 1.00 15.00 H new ATOM 0 HA3 GLY A 82 11.778 0.381 -10.144 1.00 15.00 H new ATOM 1202 N GLN A 83 10.812 2.152 -11.565 1.00 15.00 N ATOM 1203 CA GLN A 83 10.378 3.193 -12.496 1.00 15.00 C ATOM 1204 C GLN A 83 9.140 3.924 -11.978 1.00 15.00 C ATOM 1205 O GLN A 83 9.242 5.023 -11.433 1.00 15.00 O ATOM 1206 CB GLN A 83 10.111 2.614 -13.895 1.00 15.00 C ATOM 1207 CG GLN A 83 10.877 1.335 -14.197 1.00 15.00 C ATOM 1208 CD GLN A 83 10.050 0.091 -13.941 1.00 15.00 C ATOM 1209 OE1 GLN A 83 8.936 0.169 -13.422 1.00 15.00 O ATOM 1210 NE2 GLN A 83 10.592 -1.066 -14.306 1.00 15.00 N ATOM 0 H GLN A 83 10.736 1.203 -11.930 1.00 15.00 H new ATOM 0 HA GLN A 83 11.191 3.915 -12.574 1.00 15.00 H new ATOM 0 HB2 GLN A 83 9.044 2.418 -13.997 1.00 15.00 H new ATOM 0 HB3 GLN A 83 10.370 3.364 -14.642 1.00 15.00 H new ATOM 0 HG2 GLN A 83 11.200 1.345 -15.238 1.00 15.00 H new ATOM 0 HG3 GLN A 83 11.778 1.301 -13.584 1.00 15.00 H new ATOM 0 HE21 GLN A 83 11.518 -1.083 -14.733 1.00 15.00 H new ATOM 0 HE22 GLN A 83 10.082 -1.937 -14.159 1.00 15.00 H new ATOM 1219 N VAL A 84 7.971 3.314 -12.160 1.00 15.00 N ATOM 1220 CA VAL A 84 6.717 3.911 -11.718 1.00 15.00 C ATOM 1221 C VAL A 84 6.127 3.144 -10.537 1.00 15.00 C ATOM 1222 O VAL A 84 6.449 1.977 -10.313 1.00 15.00 O ATOM 1223 CB VAL A 84 5.692 3.961 -12.873 1.00 15.00 C ATOM 1224 CG1 VAL A 84 4.321 4.404 -12.379 1.00 15.00 C ATOM 1225 CG2 VAL A 84 6.186 4.886 -13.973 1.00 15.00 C ATOM 0 H VAL A 84 7.868 2.405 -12.611 1.00 15.00 H new ATOM 0 HA VAL A 84 6.936 4.929 -11.397 1.00 15.00 H new ATOM 0 HB VAL A 84 5.589 2.954 -13.277 1.00 15.00 H new ATOM 0 HG11 VAL A 84 3.623 4.429 -13.216 1.00 15.00 H new ATOM 0 HG12 VAL A 84 3.961 3.702 -11.627 1.00 15.00 H new ATOM 0 HG13 VAL A 84 4.396 5.399 -11.940 1.00 15.00 H new ATOM 0 HG21 VAL A 84 5.455 4.913 -14.781 1.00 15.00 H new ATOM 0 HG22 VAL A 84 6.320 5.890 -13.571 1.00 15.00 H new ATOM 0 HG23 VAL A 84 7.138 4.519 -14.357 1.00 15.00 H new ATOM 1235 N VAL A 85 5.250 3.805 -9.794 1.00 15.00 N ATOM 1236 CA VAL A 85 4.605 3.190 -8.646 1.00 15.00 C ATOM 1237 C VAL A 85 3.220 2.677 -9.031 1.00 15.00 C ATOM 1238 O VAL A 85 2.209 3.329 -8.777 1.00 15.00 O ATOM 1239 CB VAL A 85 4.496 4.193 -7.470 1.00 15.00 C ATOM 1240 CG1 VAL A 85 3.415 3.789 -6.476 1.00 15.00 C ATOM 1241 CG2 VAL A 85 5.837 4.334 -6.768 1.00 15.00 C ATOM 0 H VAL A 85 4.969 4.770 -9.968 1.00 15.00 H new ATOM 0 HA VAL A 85 5.217 2.348 -8.321 1.00 15.00 H new ATOM 0 HB VAL A 85 4.210 5.158 -7.888 1.00 15.00 H new ATOM 0 HG11 VAL A 85 3.373 4.519 -5.668 1.00 15.00 H new ATOM 0 HG12 VAL A 85 2.451 3.752 -6.982 1.00 15.00 H new ATOM 0 HG13 VAL A 85 3.647 2.806 -6.065 1.00 15.00 H new ATOM 0 HG21 VAL A 85 5.744 5.042 -5.944 1.00 15.00 H new ATOM 0 HG22 VAL A 85 6.148 3.364 -6.380 1.00 15.00 H new ATOM 0 HG23 VAL A 85 6.582 4.697 -7.476 1.00 15.00 H new ATOM 1251 N HIS A 86 3.189 1.501 -9.650 1.00 15.00 N ATOM 1252 CA HIS A 86 1.932 0.891 -10.071 1.00 15.00 C ATOM 1253 C HIS A 86 1.462 -0.125 -9.037 1.00 15.00 C ATOM 1254 O HIS A 86 1.668 -1.328 -9.192 1.00 15.00 O ATOM 1255 CB HIS A 86 2.097 0.213 -11.431 1.00 15.00 C ATOM 1256 CG HIS A 86 0.798 -0.078 -12.117 1.00 15.00 C ATOM 1257 ND1 HIS A 86 -0.271 0.793 -12.105 1.00 15.00 N ATOM 1258 CD2 HIS A 86 0.398 -1.152 -12.839 1.00 15.00 C ATOM 1259 CE1 HIS A 86 -1.272 0.268 -12.789 1.00 15.00 C ATOM 1260 NE2 HIS A 86 -0.892 -0.911 -13.244 1.00 15.00 N ATOM 0 H HIS A 86 4.019 0.951 -9.871 1.00 15.00 H new ATOM 0 HA HIS A 86 1.182 1.677 -10.159 1.00 15.00 H new ATOM 0 HB2 HIS A 86 2.703 0.851 -12.074 1.00 15.00 H new ATOM 0 HB3 HIS A 86 2.645 -0.720 -11.299 1.00 15.00 H new ATOM 0 HD2 HIS A 86 0.984 -2.033 -13.056 1.00 15.00 H new ATOM 0 HE1 HIS A 86 -2.237 0.726 -12.949 1.00 15.00 H new ATOM 0 HE2 HIS A 86 -1.464 -1.542 -13.806 1.00 15.00 H new ATOM 1269 N LEU A 87 0.846 0.374 -7.973 1.00 15.00 N ATOM 1270 CA LEU A 87 0.361 -0.478 -6.897 1.00 15.00 C ATOM 1271 C LEU A 87 -1.152 -0.661 -6.957 1.00 15.00 C ATOM 1272 O LEU A 87 -1.907 0.304 -6.870 1.00 15.00 O ATOM 1273 CB LEU A 87 0.752 0.122 -5.546 1.00 15.00 C ATOM 1274 CG LEU A 87 1.703 -0.731 -4.715 1.00 15.00 C ATOM 1275 CD1 LEU A 87 2.840 0.115 -4.161 1.00 15.00 C ATOM 1276 CD2 LEU A 87 0.948 -1.419 -3.589 1.00 15.00 C ATOM 0 H LEU A 87 0.670 1.369 -7.833 1.00 15.00 H new ATOM 0 HA LEU A 87 0.822 -1.458 -7.017 1.00 15.00 H new ATOM 0 HB2 LEU A 87 1.215 1.094 -5.717 1.00 15.00 H new ATOM 0 HB3 LEU A 87 -0.155 0.298 -4.967 1.00 15.00 H new ATOM 0 HG LEU A 87 2.134 -1.496 -5.361 1.00 15.00 H new ATOM 0 HD11 LEU A 87 3.507 -0.513 -3.571 1.00 15.00 H new ATOM 0 HD12 LEU A 87 3.396 0.561 -4.985 1.00 15.00 H new ATOM 0 HD13 LEU A 87 2.432 0.904 -3.529 1.00 15.00 H new ATOM 0 HD21 LEU A 87 1.640 -2.025 -3.004 1.00 15.00 H new ATOM 0 HD22 LEU A 87 0.490 -0.668 -2.946 1.00 15.00 H new ATOM 0 HD23 LEU A 87 0.172 -2.059 -4.009 1.00 15.00 H new ATOM 1288 N LEU A 88 -1.589 -1.910 -7.078 1.00 15.00 N ATOM 1289 CA LEU A 88 -3.013 -2.221 -7.117 1.00 15.00 C ATOM 1290 C LEU A 88 -3.471 -2.678 -5.739 1.00 15.00 C ATOM 1291 O LEU A 88 -3.213 -3.810 -5.330 1.00 15.00 O ATOM 1292 CB LEU A 88 -3.295 -3.304 -8.162 1.00 15.00 C ATOM 1293 CG LEU A 88 -3.456 -2.796 -9.597 1.00 15.00 C ATOM 1294 CD1 LEU A 88 -2.435 -1.708 -9.902 1.00 15.00 C ATOM 1295 CD2 LEU A 88 -3.323 -3.946 -10.585 1.00 15.00 C ATOM 0 H LEU A 88 -0.978 -2.723 -7.151 1.00 15.00 H new ATOM 0 HA LEU A 88 -3.567 -1.326 -7.398 1.00 15.00 H new ATOM 0 HB2 LEU A 88 -2.482 -4.030 -8.139 1.00 15.00 H new ATOM 0 HB3 LEU A 88 -4.204 -3.834 -7.877 1.00 15.00 H new ATOM 0 HG LEU A 88 -4.452 -2.365 -9.699 1.00 15.00 H new ATOM 0 HD11 LEU A 88 -2.568 -1.362 -10.927 1.00 15.00 H new ATOM 0 HD12 LEU A 88 -2.577 -0.873 -9.216 1.00 15.00 H new ATOM 0 HD13 LEU A 88 -1.429 -2.109 -9.782 1.00 15.00 H new ATOM 0 HD21 LEU A 88 -3.440 -3.568 -11.601 1.00 15.00 H new ATOM 0 HD22 LEU A 88 -2.340 -4.405 -10.479 1.00 15.00 H new ATOM 0 HD23 LEU A 88 -4.094 -4.690 -10.383 1.00 15.00 H new ATOM 1307 N LEU A 89 -4.123 -1.778 -5.017 1.00 15.00 N ATOM 1308 CA LEU A 89 -4.586 -2.072 -3.666 1.00 15.00 C ATOM 1309 C LEU A 89 -6.092 -2.288 -3.612 1.00 15.00 C ATOM 1310 O LEU A 89 -6.746 -2.514 -4.630 1.00 15.00 O ATOM 1311 CB LEU A 89 -4.212 -0.928 -2.719 1.00 15.00 C ATOM 1312 CG LEU A 89 -3.246 0.098 -3.293 1.00 15.00 C ATOM 1313 CD1 LEU A 89 -3.130 1.292 -2.368 1.00 15.00 C ATOM 1314 CD2 LEU A 89 -1.892 -0.538 -3.518 1.00 15.00 C ATOM 0 H LEU A 89 -4.344 -0.837 -5.343 1.00 15.00 H new ATOM 0 HA LEU A 89 -4.097 -2.995 -3.354 1.00 15.00 H new ATOM 0 HB2 LEU A 89 -5.125 -0.415 -2.417 1.00 15.00 H new ATOM 0 HB3 LEU A 89 -3.772 -1.353 -1.817 1.00 15.00 H new ATOM 0 HG LEU A 89 -3.630 0.448 -4.251 1.00 15.00 H new ATOM 0 HD11 LEU A 89 -2.435 2.016 -2.794 1.00 15.00 H new ATOM 0 HD12 LEU A 89 -4.109 1.756 -2.248 1.00 15.00 H new ATOM 0 HD13 LEU A 89 -2.762 0.965 -1.396 1.00 15.00 H new ATOM 0 HD21 LEU A 89 -1.206 0.203 -3.929 1.00 15.00 H new ATOM 0 HD22 LEU A 89 -1.502 -0.908 -2.570 1.00 15.00 H new ATOM 0 HD23 LEU A 89 -1.992 -1.368 -4.218 1.00 15.00 H new ATOM 1326 N GLU A 90 -6.623 -2.194 -2.400 1.00 15.00 N ATOM 1327 CA GLU A 90 -8.049 -2.352 -2.157 1.00 15.00 C ATOM 1328 C GLU A 90 -8.508 -1.343 -1.107 1.00 15.00 C ATOM 1329 O GLU A 90 -7.808 -1.097 -0.125 1.00 15.00 O ATOM 1330 CB GLU A 90 -8.357 -3.787 -1.708 1.00 15.00 C ATOM 1331 CG GLU A 90 -9.480 -3.897 -0.685 1.00 15.00 C ATOM 1332 CD GLU A 90 -10.172 -5.246 -0.719 1.00 15.00 C ATOM 1333 OE1 GLU A 90 -9.618 -6.182 -1.335 1.00 15.00 O ATOM 1334 OE2 GLU A 90 -11.266 -5.367 -0.131 1.00 15.00 O ATOM 0 H GLU A 90 -6.077 -2.006 -1.559 1.00 15.00 H new ATOM 0 HA GLU A 90 -8.594 -2.164 -3.082 1.00 15.00 H new ATOM 0 HB2 GLU A 90 -8.620 -4.381 -2.584 1.00 15.00 H new ATOM 0 HB3 GLU A 90 -7.453 -4.225 -1.286 1.00 15.00 H new ATOM 0 HG2 GLU A 90 -9.075 -3.726 0.313 1.00 15.00 H new ATOM 0 HG3 GLU A 90 -10.213 -3.112 -0.871 1.00 15.00 H new ATOM 1341 N LYS A 91 -9.680 -0.757 -1.321 1.00 15.00 N ATOM 1342 CA LYS A 91 -10.219 0.229 -0.392 1.00 15.00 C ATOM 1343 C LYS A 91 -10.228 -0.310 1.036 1.00 15.00 C ATOM 1344 O LYS A 91 -11.054 -1.152 1.389 1.00 15.00 O ATOM 1345 CB LYS A 91 -11.631 0.634 -0.810 1.00 15.00 C ATOM 1346 CG LYS A 91 -12.098 1.934 -0.178 1.00 15.00 C ATOM 1347 CD LYS A 91 -11.338 3.129 -0.734 1.00 15.00 C ATOM 1348 CE LYS A 91 -10.800 4.015 0.379 1.00 15.00 C ATOM 1349 NZ LYS A 91 -9.383 3.698 0.705 1.00 15.00 N ATOM 0 H LYS A 91 -10.274 -0.947 -2.128 1.00 15.00 H new ATOM 0 HA LYS A 91 -9.574 1.108 -0.420 1.00 15.00 H new ATOM 0 HB2 LYS A 91 -11.666 0.733 -1.895 1.00 15.00 H new ATOM 0 HB3 LYS A 91 -12.324 -0.162 -0.540 1.00 15.00 H new ATOM 0 HG2 LYS A 91 -13.165 2.064 -0.358 1.00 15.00 H new ATOM 0 HG3 LYS A 91 -11.961 1.885 0.902 1.00 15.00 H new ATOM 0 HD2 LYS A 91 -10.512 2.780 -1.354 1.00 15.00 H new ATOM 0 HD3 LYS A 91 -11.996 3.712 -1.379 1.00 15.00 H new ATOM 0 HE2 LYS A 91 -10.879 5.060 0.081 1.00 15.00 H new ATOM 0 HE3 LYS A 91 -11.414 3.891 1.271 1.00 15.00 H new ATOM 0 HZ1 LYS A 91 -8.961 4.492 1.229 1.00 15.00 H new ATOM 0 HZ2 LYS A 91 -9.345 2.839 1.289 1.00 15.00 H new ATOM 0 HZ3 LYS A 91 -8.851 3.542 -0.175 1.00 15.00 H new ATOM 1363 N GLY A 92 -9.301 0.183 1.852 1.00 15.00 N ATOM 1364 CA GLY A 92 -9.214 -0.259 3.232 1.00 15.00 C ATOM 1365 C GLY A 92 -10.384 0.218 4.070 1.00 15.00 C ATOM 1366 O GLY A 92 -10.716 1.404 4.067 1.00 15.00 O ATOM 0 H GLY A 92 -8.608 0.881 1.582 1.00 15.00 H new ATOM 0 HA2 GLY A 92 -9.172 -1.348 3.259 1.00 15.00 H new ATOM 0 HA3 GLY A 92 -8.285 0.107 3.669 1.00 15.00 H new