USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 583 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 55 SER OG : rot -160:sc= 0.942 USER MOD Set 1.2: A 83 THR OG1 : rot 84:sc= 0.836 USER MOD Set 2.1: A 29 MET CE :methyl -109:sc= -0.204 (180deg=0) USER MOD Set 2.2: A 32 THR OG1 : rot 140:sc= 0.00607 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -2.42! C(o=-2.4!,f=-3.1!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0.063) USER MOD Single : A 34 SER OG : rot 120:sc= -0.0302 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 46 HIS :FLIP no HD1:sc= -0.103 F(o=-0.9,f=-0.1) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.22) USER MOD Single : A 64 MET CE :methyl -164:sc= -0.27 (180deg=-0.484) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.868 USER MOD Single : A 66 HIS : no HE2:sc= -3.62! C(o=-3.6!,f=-8.1!) USER MOD Single : A 70 GLN : amide:sc=-0.00703 K(o=-0.007,f=-1) USER MOD Single : A 71 ASN : amide:sc=-0.00384 X(o=-0.0038,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -17:sc= 0.316 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 MET CE :methyl -168:sc= -2.86 (180deg=-3.27) USER MOD Single : A 85 GLN : amide:sc= -3.56! C(o=-3.6!,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -3.962 -5.362 14.279 1.00 0.00 N ATOM 60 CA GLY A 7 -2.546 -5.521 14.565 1.00 0.00 C ATOM 61 C GLY A 7 -1.692 -4.766 13.544 1.00 0.00 C ATOM 62 O GLY A 7 -2.056 -4.673 12.373 1.00 0.00 O ATOM 0 HA2 GLY A 7 -2.330 -5.153 15.568 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.285 -6.579 14.551 1.00 0.00 H new ATOM 66 N SER A 8 -0.573 -4.246 14.026 1.00 0.00 N ATOM 67 CA SER A 8 0.336 -3.502 13.171 1.00 0.00 C ATOM 68 C SER A 8 1.524 -4.382 12.778 1.00 0.00 C ATOM 69 O SER A 8 1.889 -5.301 13.509 1.00 0.00 O ATOM 70 CB SER A 8 0.825 -2.228 13.863 1.00 0.00 C ATOM 71 OG SER A 8 1.195 -2.465 15.218 1.00 0.00 O ATOM 0 H SER A 8 -0.275 -4.325 14.998 1.00 0.00 H new ATOM 0 HA SER A 8 -0.204 -3.209 12.271 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.679 -1.825 13.319 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.040 -1.473 13.828 1.00 0.00 H new ATOM 0 HG SER A 8 1.503 -1.628 15.624 1.00 0.00 H new ATOM 77 N VAL A 9 2.095 -4.070 11.624 1.00 0.00 N ATOM 78 CA VAL A 9 3.234 -4.821 11.125 1.00 0.00 C ATOM 79 C VAL A 9 4.411 -3.868 10.904 1.00 0.00 C ATOM 80 O VAL A 9 4.232 -2.651 10.881 1.00 0.00 O ATOM 81 CB VAL A 9 2.842 -5.590 9.862 1.00 0.00 C ATOM 82 CG1 VAL A 9 2.028 -4.707 8.913 1.00 0.00 C ATOM 83 CG2 VAL A 9 4.077 -6.157 9.159 1.00 0.00 C ATOM 0 H VAL A 9 1.790 -3.307 11.020 1.00 0.00 H new ATOM 0 HA VAL A 9 3.551 -5.565 11.856 1.00 0.00 H new ATOM 0 HB VAL A 9 2.213 -6.428 10.162 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.762 -5.278 8.023 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.120 -4.374 9.415 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.622 -3.840 8.624 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.770 -6.699 8.264 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.743 -5.341 8.878 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.600 -6.836 9.833 1.00 0.00 H new ATOM 93 N SER A 10 5.587 -4.457 10.746 1.00 0.00 N ATOM 94 CA SER A 10 6.792 -3.676 10.528 1.00 0.00 C ATOM 95 C SER A 10 7.570 -4.236 9.336 1.00 0.00 C ATOM 96 O SER A 10 7.903 -5.420 9.309 1.00 0.00 O ATOM 97 CB SER A 10 7.674 -3.661 11.778 1.00 0.00 C ATOM 98 OG SER A 10 8.889 -2.948 11.566 1.00 0.00 O ATOM 0 H SER A 10 5.731 -5.467 10.765 1.00 0.00 H new ATOM 0 HA SER A 10 6.498 -2.649 10.312 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.126 -3.206 12.603 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.902 -4.685 12.073 1.00 0.00 H new ATOM 0 HG SER A 10 9.423 -2.960 12.388 1.00 0.00 H new ATOM 104 N LEU A 11 7.838 -3.360 8.379 1.00 0.00 N ATOM 105 CA LEU A 11 8.571 -3.753 7.188 1.00 0.00 C ATOM 106 C LEU A 11 9.943 -3.075 7.191 1.00 0.00 C ATOM 107 O LEU A 11 10.092 -1.970 7.711 1.00 0.00 O ATOM 108 CB LEU A 11 7.746 -3.464 5.932 1.00 0.00 C ATOM 109 CG LEU A 11 6.276 -3.882 5.984 1.00 0.00 C ATOM 110 CD1 LEU A 11 5.500 -3.310 4.797 1.00 0.00 C ATOM 111 CD2 LEU A 11 6.141 -5.404 6.077 1.00 0.00 C ATOM 0 H LEU A 11 7.560 -2.379 8.404 1.00 0.00 H new ATOM 0 HA LEU A 11 8.746 -4.829 7.187 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.792 -2.394 5.730 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.217 -3.968 5.088 1.00 0.00 H new ATOM 0 HG LEU A 11 5.835 -3.463 6.889 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.458 -3.623 4.859 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.554 -2.222 4.817 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.934 -3.677 3.867 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.086 -5.674 6.113 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.604 -5.864 5.204 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.637 -5.759 6.980 1.00 0.00 H new ATOM 123 N VAL A 12 10.910 -3.766 6.606 1.00 0.00 N ATOM 124 CA VAL A 12 12.265 -3.245 6.536 1.00 0.00 C ATOM 125 C VAL A 12 12.647 -3.027 5.070 1.00 0.00 C ATOM 126 O VAL A 12 12.896 -3.986 4.341 1.00 0.00 O ATOM 127 CB VAL A 12 13.225 -4.182 7.271 1.00 0.00 C ATOM 128 CG1 VAL A 12 13.055 -5.626 6.793 1.00 0.00 C ATOM 129 CG2 VAL A 12 14.674 -3.719 7.111 1.00 0.00 C ATOM 0 H VAL A 12 10.782 -4.682 6.176 1.00 0.00 H new ATOM 0 HA VAL A 12 12.329 -2.279 7.036 1.00 0.00 H new ATOM 0 HB VAL A 12 12.978 -4.149 8.332 1.00 0.00 H new ATOM 0 HG11 VAL A 12 13.749 -6.272 7.331 1.00 0.00 H new ATOM 0 HG12 VAL A 12 12.033 -5.954 6.983 1.00 0.00 H new ATOM 0 HG13 VAL A 12 13.262 -5.682 5.724 1.00 0.00 H new ATOM 0 HG21 VAL A 12 15.335 -4.403 7.643 1.00 0.00 H new ATOM 0 HG22 VAL A 12 14.938 -3.708 6.053 1.00 0.00 H new ATOM 0 HG23 VAL A 12 14.783 -2.715 7.522 1.00 0.00 H new ATOM 139 N GLY A 13 12.682 -1.761 4.683 1.00 0.00 N ATOM 140 CA GLY A 13 13.029 -1.405 3.318 1.00 0.00 C ATOM 141 C GLY A 13 13.062 0.115 3.139 1.00 0.00 C ATOM 142 O GLY A 13 12.393 0.844 3.869 1.00 0.00 O ATOM 0 H GLY A 13 12.476 -0.968 5.291 1.00 0.00 H new ATOM 0 HA2 GLY A 13 14.002 -1.826 3.065 1.00 0.00 H new ATOM 0 HA3 GLY A 13 12.305 -1.840 2.630 1.00 0.00 H new ATOM 146 N PRO A 14 13.869 0.558 2.138 1.00 0.00 N ATOM 147 CA PRO A 14 13.999 1.977 1.854 1.00 0.00 C ATOM 148 C PRO A 14 12.757 2.507 1.135 1.00 0.00 C ATOM 149 O PRO A 14 12.636 3.709 0.900 1.00 0.00 O ATOM 150 CB PRO A 14 15.264 2.098 1.021 1.00 0.00 C ATOM 151 CG PRO A 14 15.541 0.705 0.479 1.00 0.00 C ATOM 152 CD PRO A 14 14.677 -0.277 1.253 1.00 0.00 C ATOM 0 HA PRO A 14 14.075 2.582 2.758 1.00 0.00 H new ATOM 0 HB2 PRO A 14 15.130 2.813 0.210 1.00 0.00 H new ATOM 0 HB3 PRO A 14 16.098 2.455 1.626 1.00 0.00 H new ATOM 0 HG2 PRO A 14 15.313 0.657 -0.586 1.00 0.00 H new ATOM 0 HG3 PRO A 14 16.596 0.455 0.590 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.051 -0.866 0.584 1.00 0.00 H new ATOM 0 HD3 PRO A 14 15.287 -0.980 1.820 1.00 0.00 H new ATOM 160 N ALA A 15 11.864 1.586 0.805 1.00 0.00 N ATOM 161 CA ALA A 15 10.636 1.945 0.117 1.00 0.00 C ATOM 162 C ALA A 15 10.036 0.697 -0.534 1.00 0.00 C ATOM 163 O ALA A 15 8.852 0.411 -0.363 1.00 0.00 O ATOM 164 CB ALA A 15 10.925 3.052 -0.900 1.00 0.00 C ATOM 0 H ALA A 15 11.967 0.590 1.002 1.00 0.00 H new ATOM 0 HA ALA A 15 9.901 2.334 0.822 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.004 3.321 -1.416 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.320 3.927 -0.383 1.00 0.00 H new ATOM 0 HB3 ALA A 15 11.657 2.697 -1.626 1.00 0.00 H new ATOM 170 N PRO A 16 10.904 -0.031 -1.287 1.00 0.00 N ATOM 171 CA PRO A 16 10.472 -1.242 -1.964 1.00 0.00 C ATOM 172 C PRO A 16 10.309 -2.396 -0.973 1.00 0.00 C ATOM 173 O PRO A 16 11.168 -3.272 -0.888 1.00 0.00 O ATOM 174 CB PRO A 16 11.539 -1.507 -3.014 1.00 0.00 C ATOM 175 CG PRO A 16 12.757 -0.708 -2.581 1.00 0.00 C ATOM 176 CD PRO A 16 12.313 0.277 -1.512 1.00 0.00 C ATOM 0 HA PRO A 16 9.492 -1.137 -2.429 1.00 0.00 H new ATOM 0 HB2 PRO A 16 11.771 -2.570 -3.075 1.00 0.00 H new ATOM 0 HB3 PRO A 16 11.200 -1.197 -4.002 1.00 0.00 H new ATOM 0 HG2 PRO A 16 13.530 -1.371 -2.192 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.189 -0.180 -3.431 1.00 0.00 H new ATOM 0 HD2 PRO A 16 12.895 0.159 -0.598 1.00 0.00 H new ATOM 0 HD3 PRO A 16 12.445 1.307 -1.843 1.00 0.00 H new ATOM 184 N TRP A 17 9.200 -2.360 -0.249 1.00 0.00 N ATOM 185 CA TRP A 17 8.913 -3.392 0.733 1.00 0.00 C ATOM 186 C TRP A 17 8.556 -4.675 -0.020 1.00 0.00 C ATOM 187 O TRP A 17 8.703 -5.773 0.513 1.00 0.00 O ATOM 188 CB TRP A 17 7.814 -2.940 1.698 1.00 0.00 C ATOM 189 CG TRP A 17 7.828 -1.440 1.998 1.00 0.00 C ATOM 190 CD1 TRP A 17 7.197 -0.460 1.336 1.00 0.00 C ATOM 191 CD2 TRP A 17 8.536 -0.784 3.071 1.00 0.00 C ATOM 192 NE1 TRP A 17 7.446 0.774 1.902 1.00 0.00 N ATOM 193 CE2 TRP A 17 8.285 0.570 2.990 1.00 0.00 C ATOM 194 CE3 TRP A 17 9.360 -1.318 4.077 1.00 0.00 C ATOM 195 CZ2 TRP A 17 8.822 1.504 3.885 1.00 0.00 C ATOM 196 CZ3 TRP A 17 9.889 -0.372 4.964 1.00 0.00 C ATOM 197 CH2 TRP A 17 9.646 0.995 4.896 1.00 0.00 C ATOM 0 H TRP A 17 8.489 -1.632 -0.323 1.00 0.00 H new ATOM 0 HA TRP A 17 9.786 -3.585 1.356 1.00 0.00 H new ATOM 0 HB2 TRP A 17 6.844 -3.207 1.279 1.00 0.00 H new ATOM 0 HB3 TRP A 17 7.919 -3.488 2.634 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.572 -0.616 0.469 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.081 1.671 1.581 1.00 0.00 H new ATOM 0 HE3 TRP A 17 9.569 -2.374 4.159 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.612 2.560 3.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 10.530 -0.729 5.756 1.00 0.00 H new ATOM 0 HH2 TRP A 17 10.091 1.662 5.620 1.00 0.00 H new ATOM 208 N GLY A 18 8.095 -4.493 -1.249 1.00 0.00 N ATOM 209 CA GLY A 18 7.716 -5.622 -2.081 1.00 0.00 C ATOM 210 C GLY A 18 6.197 -5.694 -2.250 1.00 0.00 C ATOM 211 O GLY A 18 5.693 -6.508 -3.022 1.00 0.00 O ATOM 0 H GLY A 18 7.975 -3.580 -1.688 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.190 -5.533 -3.058 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.080 -6.547 -1.633 1.00 0.00 H new ATOM 215 N PHE A 19 5.511 -4.832 -1.514 1.00 0.00 N ATOM 216 CA PHE A 19 4.060 -4.788 -1.573 1.00 0.00 C ATOM 217 C PHE A 19 3.578 -3.516 -2.273 1.00 0.00 C ATOM 218 O PHE A 19 4.255 -2.490 -2.240 1.00 0.00 O ATOM 219 CB PHE A 19 3.554 -4.784 -0.129 1.00 0.00 C ATOM 220 CG PHE A 19 3.612 -3.412 0.547 1.00 0.00 C ATOM 221 CD1 PHE A 19 2.785 -2.415 0.133 1.00 0.00 C ATOM 222 CD2 PHE A 19 4.491 -3.190 1.561 1.00 0.00 C ATOM 223 CE1 PHE A 19 2.839 -1.142 0.760 1.00 0.00 C ATOM 224 CE2 PHE A 19 4.545 -1.917 2.188 1.00 0.00 C ATOM 225 CZ PHE A 19 3.718 -0.920 1.775 1.00 0.00 C ATOM 0 H PHE A 19 5.933 -4.159 -0.874 1.00 0.00 H new ATOM 0 HA PHE A 19 3.684 -5.644 -2.134 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.524 -5.142 -0.115 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.145 -5.490 0.454 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.087 -2.591 -0.672 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.148 -3.982 1.889 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.182 -0.350 0.431 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.243 -1.741 2.993 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.759 0.048 2.252 1.00 0.00 H new ATOM 235 N ARG A 20 2.411 -3.625 -2.892 1.00 0.00 N ATOM 236 CA ARG A 20 1.830 -2.497 -3.599 1.00 0.00 C ATOM 237 C ARG A 20 0.527 -2.062 -2.926 1.00 0.00 C ATOM 238 O ARG A 20 0.068 -2.703 -1.981 1.00 0.00 O ATOM 239 CB ARG A 20 1.549 -2.849 -5.061 1.00 0.00 C ATOM 240 CG ARG A 20 2.851 -2.978 -5.855 1.00 0.00 C ATOM 241 CD ARG A 20 3.028 -1.798 -6.813 1.00 0.00 C ATOM 242 NE ARG A 20 3.243 -2.293 -8.191 1.00 0.00 N ATOM 243 CZ ARG A 20 2.259 -2.683 -9.011 1.00 0.00 C ATOM 244 NH1 ARG A 20 0.985 -2.639 -8.598 1.00 0.00 N ATOM 245 NH2 ARG A 20 2.548 -3.118 -10.245 1.00 0.00 N ATOM 0 H ARG A 20 1.852 -4.478 -2.918 1.00 0.00 H new ATOM 0 HA ARG A 20 2.550 -1.679 -3.566 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.993 -3.785 -5.113 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.920 -2.080 -5.509 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.697 -3.024 -5.169 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.847 -3.911 -6.418 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.147 -1.158 -6.781 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.876 -1.189 -6.500 1.00 0.00 H new ATOM 0 HE ARG A 20 4.201 -2.340 -8.538 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.765 -2.308 -7.659 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.236 -2.936 -9.223 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.518 -3.152 -10.560 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.798 -3.415 -10.870 1.00 0.00 H new ATOM 259 N LEU A 21 -0.033 -0.977 -3.440 1.00 0.00 N ATOM 260 CA LEU A 21 -1.275 -0.449 -2.900 1.00 0.00 C ATOM 261 C LEU A 21 -2.194 -0.039 -4.053 1.00 0.00 C ATOM 262 O LEU A 21 -1.722 0.393 -5.104 1.00 0.00 O ATOM 263 CB LEU A 21 -0.991 0.681 -1.909 1.00 0.00 C ATOM 264 CG LEU A 21 -0.297 0.273 -0.608 1.00 0.00 C ATOM 265 CD1 LEU A 21 -0.014 1.494 0.269 1.00 0.00 C ATOM 266 CD2 LEU A 21 -1.106 -0.792 0.135 1.00 0.00 C ATOM 0 H LEU A 21 0.350 -0.449 -4.224 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.799 -1.217 -2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.374 1.428 -2.408 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.936 1.163 -1.658 1.00 0.00 H new ATOM 0 HG LEU A 21 0.666 -0.172 -0.860 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.480 1.176 1.187 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.633 2.187 -0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.953 1.991 0.515 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.590 -1.064 1.056 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.093 -0.397 0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.212 -1.675 -0.496 1.00 0.00 H new ATOM 278 N GLN A 22 -3.489 -0.190 -3.818 1.00 0.00 N ATOM 279 CA GLN A 22 -4.477 0.159 -4.824 1.00 0.00 C ATOM 280 C GLN A 22 -5.749 0.689 -4.158 1.00 0.00 C ATOM 281 O GLN A 22 -6.105 0.258 -3.062 1.00 0.00 O ATOM 282 CB GLN A 22 -4.789 -1.038 -5.726 1.00 0.00 C ATOM 283 CG GLN A 22 -5.227 -2.248 -4.898 1.00 0.00 C ATOM 284 CD GLN A 22 -5.636 -3.412 -5.804 1.00 0.00 C ATOM 285 OE1 GLN A 22 -5.861 -3.257 -6.993 1.00 0.00 O ATOM 286 NE2 GLN A 22 -5.720 -4.581 -5.176 1.00 0.00 N ATOM 0 H GLN A 22 -3.877 -0.549 -2.946 1.00 0.00 H new ATOM 0 HA GLN A 22 -4.063 0.948 -5.452 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.576 -0.771 -6.431 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -3.908 -1.295 -6.314 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.413 -2.560 -4.244 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -6.063 -1.971 -4.256 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -5.518 -4.639 -4.178 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -5.987 -5.419 -5.692 1.00 0.00 H new ATOM 295 N GLY A 23 -6.398 1.615 -4.847 1.00 0.00 N ATOM 296 CA GLY A 23 -7.622 2.208 -4.335 1.00 0.00 C ATOM 297 C GLY A 23 -7.363 3.614 -3.788 1.00 0.00 C ATOM 298 O GLY A 23 -6.320 4.206 -4.058 1.00 0.00 O ATOM 0 H GLY A 23 -6.100 1.970 -5.756 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.368 2.254 -5.129 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.034 1.577 -3.547 1.00 0.00 H new ATOM 302 N GLY A 24 -8.331 4.105 -3.028 1.00 0.00 N ATOM 303 CA GLY A 24 -8.221 5.430 -2.441 1.00 0.00 C ATOM 304 C GLY A 24 -9.531 6.206 -2.588 1.00 0.00 C ATOM 305 O GLY A 24 -10.496 5.699 -3.159 1.00 0.00 O ATOM 0 H GLY A 24 -9.194 3.610 -2.805 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.962 5.344 -1.386 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.413 5.979 -2.924 1.00 0.00 H new ATOM 309 N LYS A 25 -9.523 7.423 -2.064 1.00 0.00 N ATOM 310 CA LYS A 25 -10.699 8.273 -2.130 1.00 0.00 C ATOM 311 C LYS A 25 -10.968 8.652 -3.588 1.00 0.00 C ATOM 312 O LYS A 25 -12.115 8.645 -4.034 1.00 0.00 O ATOM 313 CB LYS A 25 -10.542 9.479 -1.201 1.00 0.00 C ATOM 314 CG LYS A 25 -11.893 10.146 -0.935 1.00 0.00 C ATOM 315 CD LYS A 25 -12.030 10.538 0.538 1.00 0.00 C ATOM 316 CE LYS A 25 -11.194 11.780 0.854 1.00 0.00 C ATOM 317 NZ LYS A 25 -11.845 12.587 1.911 1.00 0.00 N ATOM 0 H LYS A 25 -8.721 7.840 -1.592 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.577 7.736 -1.772 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.098 9.161 -0.258 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.858 10.200 -1.648 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.995 11.032 -1.562 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.699 9.466 -1.211 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.077 10.731 0.771 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.710 9.709 1.170 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.197 11.482 1.178 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.070 12.381 -0.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.265 13.426 2.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.787 12.887 1.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.941 12.016 2.775 1.00 0.00 H new ATOM 331 N ASP A 26 -9.892 8.974 -4.291 1.00 0.00 N ATOM 332 CA ASP A 26 -9.997 9.355 -5.689 1.00 0.00 C ATOM 333 C ASP A 26 -10.380 8.128 -6.520 1.00 0.00 C ATOM 334 O ASP A 26 -10.834 8.260 -7.655 1.00 0.00 O ATOM 335 CB ASP A 26 -8.663 9.885 -6.217 1.00 0.00 C ATOM 336 CG ASP A 26 -7.428 9.112 -5.750 1.00 0.00 C ATOM 337 OD1 ASP A 26 -7.379 8.799 -4.540 1.00 0.00 O ATOM 338 OD2 ASP A 26 -6.562 8.850 -6.612 1.00 0.00 O ATOM 0 H ASP A 26 -8.943 8.979 -3.918 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.753 10.136 -5.770 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.690 9.872 -7.307 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -8.557 10.926 -5.913 1.00 0.00 H new ATOM 343 N PHE A 27 -10.184 6.963 -5.921 1.00 0.00 N ATOM 344 CA PHE A 27 -10.503 5.714 -6.591 1.00 0.00 C ATOM 345 C PHE A 27 -11.914 5.244 -6.231 1.00 0.00 C ATOM 346 O PHE A 27 -12.546 4.521 -7.000 1.00 0.00 O ATOM 347 CB PHE A 27 -9.493 4.674 -6.104 1.00 0.00 C ATOM 348 CG PHE A 27 -8.111 4.799 -6.750 1.00 0.00 C ATOM 349 CD1 PHE A 27 -7.378 5.931 -6.574 1.00 0.00 C ATOM 350 CD2 PHE A 27 -7.616 3.778 -7.500 1.00 0.00 C ATOM 351 CE1 PHE A 27 -6.096 6.047 -7.173 1.00 0.00 C ATOM 352 CE2 PHE A 27 -6.334 3.894 -8.099 1.00 0.00 C ATOM 353 CZ PHE A 27 -5.601 5.026 -7.923 1.00 0.00 C ATOM 0 H PHE A 27 -9.808 6.858 -4.979 1.00 0.00 H new ATOM 0 HA PHE A 27 -10.458 5.850 -7.672 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -9.387 4.764 -5.023 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.888 3.678 -6.304 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.771 6.742 -5.979 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.198 2.879 -7.640 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.514 6.946 -7.033 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.941 3.083 -8.694 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.626 5.114 -8.379 1.00 0.00 H new ATOM 363 N ASN A 28 -12.367 5.673 -5.063 1.00 0.00 N ATOM 364 CA ASN A 28 -13.691 5.306 -4.592 1.00 0.00 C ATOM 365 C ASN A 28 -13.636 3.910 -3.967 1.00 0.00 C ATOM 366 O ASN A 28 -14.567 3.120 -4.120 1.00 0.00 O ATOM 367 CB ASN A 28 -14.695 5.268 -5.745 1.00 0.00 C ATOM 368 CG ASN A 28 -16.114 5.553 -5.248 1.00 0.00 C ATOM 369 OD1 ASN A 28 -16.869 4.660 -4.900 1.00 0.00 O ATOM 370 ND2 ASN A 28 -16.432 6.845 -5.233 1.00 0.00 N ATOM 0 H ASN A 28 -11.840 6.272 -4.428 1.00 0.00 H new ATOM 0 HA ASN A 28 -14.008 6.051 -3.862 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -14.416 6.004 -6.499 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -14.664 4.291 -6.226 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -17.356 7.139 -4.916 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -15.752 7.541 -5.538 1.00 0.00 H new ATOM 377 N MET A 29 -12.536 3.649 -3.276 1.00 0.00 N ATOM 378 CA MET A 29 -12.348 2.362 -2.628 1.00 0.00 C ATOM 379 C MET A 29 -11.298 2.455 -1.519 1.00 0.00 C ATOM 380 O MET A 29 -10.533 3.417 -1.463 1.00 0.00 O ATOM 381 CB MET A 29 -11.906 1.328 -3.664 1.00 0.00 C ATOM 382 CG MET A 29 -10.382 1.307 -3.804 1.00 0.00 C ATOM 383 SD MET A 29 -9.901 0.159 -5.082 1.00 0.00 S ATOM 384 CE MET A 29 -9.357 -1.213 -4.078 1.00 0.00 C ATOM 0 H MET A 29 -11.766 4.306 -3.151 1.00 0.00 H new ATOM 0 HA MET A 29 -13.295 2.059 -2.182 1.00 0.00 H new ATOM 0 HB2 MET A 29 -12.261 0.340 -3.371 1.00 0.00 H new ATOM 0 HB3 MET A 29 -12.360 1.557 -4.628 1.00 0.00 H new ATOM 0 HG2 MET A 29 -10.017 2.305 -4.045 1.00 0.00 H new ATOM 0 HG3 MET A 29 -9.926 1.021 -2.856 1.00 0.00 H new ATOM 0 HE1 MET A 29 -8.272 -1.301 -4.139 1.00 0.00 H new ATOM 0 HE2 MET A 29 -9.650 -1.044 -3.042 1.00 0.00 H new ATOM 0 HE3 MET A 29 -9.816 -2.133 -4.439 1.00 0.00 H new ATOM 394 N PRO A 30 -11.294 1.416 -0.642 1.00 0.00 N ATOM 395 CA PRO A 30 -10.350 1.372 0.462 1.00 0.00 C ATOM 396 C PRO A 30 -8.948 1.006 -0.030 1.00 0.00 C ATOM 397 O PRO A 30 -8.797 0.398 -1.088 1.00 0.00 O ATOM 398 CB PRO A 30 -10.925 0.351 1.430 1.00 0.00 C ATOM 399 CG PRO A 30 -11.917 -0.474 0.626 1.00 0.00 C ATOM 400 CD PRO A 30 -12.186 0.261 -0.677 1.00 0.00 C ATOM 0 HA PRO A 30 -10.227 2.339 0.950 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -10.139 -0.280 1.845 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.416 0.843 2.270 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -11.515 -1.468 0.428 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -12.842 -0.610 1.186 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -11.979 -0.373 -1.539 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -13.229 0.568 -0.750 1.00 0.00 H new ATOM 408 N LEU A 31 -7.959 1.393 0.762 1.00 0.00 N ATOM 409 CA LEU A 31 -6.574 1.114 0.420 1.00 0.00 C ATOM 410 C LEU A 31 -6.275 -0.362 0.689 1.00 0.00 C ATOM 411 O LEU A 31 -6.183 -0.780 1.843 1.00 0.00 O ATOM 412 CB LEU A 31 -5.637 2.075 1.154 1.00 0.00 C ATOM 413 CG LEU A 31 -5.576 3.502 0.604 1.00 0.00 C ATOM 414 CD1 LEU A 31 -5.445 4.521 1.738 1.00 0.00 C ATOM 415 CD2 LEU A 31 -4.454 3.645 -0.426 1.00 0.00 C ATOM 0 H LEU A 31 -8.089 1.897 1.639 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.401 1.287 -0.642 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.943 2.122 2.199 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.631 1.656 1.135 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.514 3.710 0.090 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.404 5.527 1.320 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.305 4.439 2.402 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.532 4.324 2.301 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.433 4.668 -0.801 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.498 3.410 0.042 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.631 2.959 -1.254 1.00 0.00 H new ATOM 427 N THR A 32 -6.131 -1.111 -0.394 1.00 0.00 N ATOM 428 CA THR A 32 -5.844 -2.532 -0.289 1.00 0.00 C ATOM 429 C THR A 32 -4.453 -2.837 -0.847 1.00 0.00 C ATOM 430 O THR A 32 -3.843 -1.993 -1.501 1.00 0.00 O ATOM 431 CB THR A 32 -6.965 -3.294 -1.000 1.00 0.00 C ATOM 432 OG1 THR A 32 -7.389 -2.406 -2.031 1.00 0.00 O ATOM 433 CG2 THR A 32 -8.205 -3.465 -0.121 1.00 0.00 C ATOM 0 H THR A 32 -6.208 -0.761 -1.349 1.00 0.00 H new ATOM 0 HA THR A 32 -5.820 -2.856 0.752 1.00 0.00 H new ATOM 0 HB THR A 32 -6.600 -4.274 -1.307 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.569 -2.916 -2.848 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.970 -4.012 -0.673 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.940 -4.021 0.778 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.591 -2.485 0.159 1.00 0.00 H new ATOM 441 N ILE A 33 -3.991 -4.047 -0.567 1.00 0.00 N ATOM 442 CA ILE A 33 -2.682 -4.474 -1.032 1.00 0.00 C ATOM 443 C ILE A 33 -2.774 -4.866 -2.508 1.00 0.00 C ATOM 444 O ILE A 33 -3.190 -5.977 -2.835 1.00 0.00 O ATOM 445 CB ILE A 33 -2.130 -5.584 -0.134 1.00 0.00 C ATOM 446 CG1 ILE A 33 -2.047 -5.120 1.321 1.00 0.00 C ATOM 447 CG2 ILE A 33 -0.783 -6.089 -0.653 1.00 0.00 C ATOM 448 CD1 ILE A 33 -1.075 -3.948 1.469 1.00 0.00 C ATOM 0 H ILE A 33 -4.500 -4.745 -0.024 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.967 -3.655 -0.963 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.822 -6.425 -0.165 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.036 -4.822 1.668 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.723 -5.947 1.952 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.413 -6.877 0.003 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.907 -6.484 -1.661 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.068 -5.266 -0.671 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.035 -3.638 2.513 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.081 -4.256 1.144 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.415 -3.114 0.856 1.00 0.00 H new ATOM 460 N SER A 34 -2.378 -3.933 -3.361 1.00 0.00 N ATOM 461 CA SER A 34 -2.410 -4.167 -4.795 1.00 0.00 C ATOM 462 C SER A 34 -1.857 -5.558 -5.110 1.00 0.00 C ATOM 463 O SER A 34 -2.540 -6.378 -5.721 1.00 0.00 O ATOM 464 CB SER A 34 -1.615 -3.097 -5.546 1.00 0.00 C ATOM 465 OG SER A 34 -0.996 -3.617 -6.719 1.00 0.00 O ATOM 0 H SER A 34 -2.033 -3.013 -3.087 1.00 0.00 H new ATOM 0 HA SER A 34 -3.446 -4.111 -5.128 1.00 0.00 H new ATOM 0 HB2 SER A 34 -2.279 -2.277 -5.820 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.852 -2.683 -4.887 1.00 0.00 H new ATOM 0 HG SER A 34 -1.329 -3.136 -7.505 1.00 0.00 H new ATOM 471 N SER A 35 -0.624 -5.781 -4.680 1.00 0.00 N ATOM 472 CA SER A 35 0.029 -7.059 -4.909 1.00 0.00 C ATOM 473 C SER A 35 1.163 -7.255 -3.901 1.00 0.00 C ATOM 474 O SER A 35 1.414 -6.388 -3.066 1.00 0.00 O ATOM 475 CB SER A 35 0.567 -7.154 -6.338 1.00 0.00 C ATOM 476 OG SER A 35 -0.163 -8.095 -7.122 1.00 0.00 O ATOM 0 H SER A 35 -0.060 -5.098 -4.174 1.00 0.00 H new ATOM 0 HA SER A 35 -0.709 -7.850 -4.774 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.517 -6.173 -6.810 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.618 -7.442 -6.311 1.00 0.00 H new ATOM 0 HG SER A 35 0.210 -8.125 -8.028 1.00 0.00 H new ATOM 482 N LEU A 36 1.819 -8.401 -4.013 1.00 0.00 N ATOM 483 CA LEU A 36 2.921 -8.722 -3.121 1.00 0.00 C ATOM 484 C LEU A 36 4.146 -9.111 -3.951 1.00 0.00 C ATOM 485 O LEU A 36 4.039 -9.333 -5.157 1.00 0.00 O ATOM 486 CB LEU A 36 2.499 -9.790 -2.111 1.00 0.00 C ATOM 487 CG LEU A 36 2.479 -9.355 -0.644 1.00 0.00 C ATOM 488 CD1 LEU A 36 3.843 -8.811 -0.215 1.00 0.00 C ATOM 489 CD2 LEU A 36 1.354 -8.351 -0.385 1.00 0.00 C ATOM 0 H LEU A 36 1.609 -9.118 -4.707 1.00 0.00 H new ATOM 0 HA LEU A 36 3.199 -7.849 -2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.503 -10.142 -2.379 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.174 -10.640 -2.208 1.00 0.00 H new ATOM 0 HG LEU A 36 2.275 -10.232 -0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.801 -8.509 0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.599 -9.586 -0.339 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.101 -7.950 -0.831 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.362 -8.058 0.665 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.502 -7.469 -1.009 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.395 -8.809 -0.627 1.00 0.00 H new ATOM 501 N LYS A 37 5.282 -9.182 -3.274 1.00 0.00 N ATOM 502 CA LYS A 37 6.526 -9.540 -3.933 1.00 0.00 C ATOM 503 C LYS A 37 7.028 -10.875 -3.377 1.00 0.00 C ATOM 504 O LYS A 37 7.023 -11.087 -2.166 1.00 0.00 O ATOM 505 CB LYS A 37 7.543 -8.403 -3.814 1.00 0.00 C ATOM 506 CG LYS A 37 8.888 -8.804 -4.423 1.00 0.00 C ATOM 507 CD LYS A 37 9.099 -8.129 -5.780 1.00 0.00 C ATOM 508 CE LYS A 37 8.985 -9.143 -6.920 1.00 0.00 C ATOM 509 NZ LYS A 37 10.242 -9.189 -7.701 1.00 0.00 N ATOM 0 H LYS A 37 5.367 -8.997 -2.274 1.00 0.00 H new ATOM 0 HA LYS A 37 6.363 -9.680 -5.002 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.162 -7.515 -4.318 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.679 -8.140 -2.765 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.695 -8.526 -3.745 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.929 -9.887 -4.541 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.360 -7.339 -5.916 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.081 -7.656 -5.806 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.765 -10.131 -6.515 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.154 -8.874 -7.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.147 -9.882 -8.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.436 -8.250 -8.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.027 -9.468 -7.079 1.00 0.00 H new ATOM 523 N ASP A 38 7.448 -11.739 -4.289 1.00 0.00 N ATOM 524 CA ASP A 38 7.952 -13.047 -3.905 1.00 0.00 C ATOM 525 C ASP A 38 8.825 -12.905 -2.657 1.00 0.00 C ATOM 526 O ASP A 38 9.853 -12.229 -2.687 1.00 0.00 O ATOM 527 CB ASP A 38 8.810 -13.655 -5.016 1.00 0.00 C ATOM 528 CG ASP A 38 10.162 -12.973 -5.236 1.00 0.00 C ATOM 529 OD1 ASP A 38 10.218 -11.742 -5.024 1.00 0.00 O ATOM 530 OD2 ASP A 38 11.109 -13.698 -5.609 1.00 0.00 O ATOM 0 H ASP A 38 7.450 -11.559 -5.293 1.00 0.00 H new ATOM 0 HA ASP A 38 7.097 -13.696 -3.715 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.984 -14.706 -4.786 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.247 -13.621 -5.949 1.00 0.00 H new ATOM 535 N GLY A 39 8.385 -13.554 -1.589 1.00 0.00 N ATOM 536 CA GLY A 39 9.114 -13.510 -0.333 1.00 0.00 C ATOM 537 C GLY A 39 9.418 -12.066 0.073 1.00 0.00 C ATOM 538 O GLY A 39 10.525 -11.762 0.514 1.00 0.00 O ATOM 0 H GLY A 39 7.532 -14.113 -1.568 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.530 -13.996 0.448 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.045 -14.069 -0.429 1.00 0.00 H new ATOM 542 N GLY A 40 8.415 -11.216 -0.089 1.00 0.00 N ATOM 543 CA GLY A 40 8.562 -9.812 0.255 1.00 0.00 C ATOM 544 C GLY A 40 8.290 -9.581 1.743 1.00 0.00 C ATOM 545 O GLY A 40 7.634 -10.395 2.392 1.00 0.00 O ATOM 0 H GLY A 40 7.498 -11.472 -0.454 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.570 -9.477 0.010 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.873 -9.214 -0.341 1.00 0.00 H new ATOM 549 N LYS A 41 8.808 -8.468 2.241 1.00 0.00 N ATOM 550 CA LYS A 41 8.629 -8.120 3.640 1.00 0.00 C ATOM 551 C LYS A 41 7.168 -8.344 4.035 1.00 0.00 C ATOM 552 O LYS A 41 6.866 -9.232 4.831 1.00 0.00 O ATOM 553 CB LYS A 41 9.127 -6.697 3.906 1.00 0.00 C ATOM 554 CG LYS A 41 10.655 -6.654 3.973 1.00 0.00 C ATOM 555 CD LYS A 41 11.246 -6.122 2.666 1.00 0.00 C ATOM 556 CE LYS A 41 12.371 -7.029 2.164 1.00 0.00 C ATOM 557 NZ LYS A 41 12.524 -6.903 0.697 1.00 0.00 N ATOM 0 H LYS A 41 9.352 -7.795 1.700 1.00 0.00 H new ATOM 0 HA LYS A 41 9.233 -8.769 4.274 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.775 -6.032 3.118 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.708 -6.331 4.843 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.969 -6.020 4.803 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.042 -7.653 4.171 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.464 -6.054 1.910 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.629 -5.113 2.820 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.306 -6.765 2.657 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.155 -8.065 2.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.292 -7.525 0.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.636 -7.177 0.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.752 -5.918 0.455 1.00 0.00 H new ATOM 571 N ALA A 42 6.301 -7.524 3.460 1.00 0.00 N ATOM 572 CA ALA A 42 4.879 -7.622 3.742 1.00 0.00 C ATOM 573 C ALA A 42 4.478 -9.097 3.815 1.00 0.00 C ATOM 574 O ALA A 42 3.941 -9.548 4.826 1.00 0.00 O ATOM 575 CB ALA A 42 4.093 -6.857 2.675 1.00 0.00 C ATOM 0 H ALA A 42 6.556 -6.789 2.800 1.00 0.00 H new ATOM 0 HA ALA A 42 4.647 -7.169 4.706 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.026 -6.930 2.886 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.393 -5.809 2.683 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.299 -7.286 1.694 1.00 0.00 H new ATOM 581 N SER A 43 4.754 -9.807 2.731 1.00 0.00 N ATOM 582 CA SER A 43 4.429 -11.221 2.661 1.00 0.00 C ATOM 583 C SER A 43 5.003 -11.951 3.877 1.00 0.00 C ATOM 584 O SER A 43 4.314 -12.754 4.505 1.00 0.00 O ATOM 585 CB SER A 43 4.961 -11.844 1.368 1.00 0.00 C ATOM 586 OG SER A 43 4.904 -13.268 1.399 1.00 0.00 O ATOM 0 H SER A 43 5.199 -9.429 1.894 1.00 0.00 H new ATOM 0 HA SER A 43 3.344 -11.323 2.663 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.380 -11.476 0.522 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.991 -11.526 1.209 1.00 0.00 H new ATOM 0 HG SER A 43 5.251 -13.628 0.556 1.00 0.00 H new ATOM 592 N GLN A 44 6.257 -11.647 4.173 1.00 0.00 N ATOM 593 CA GLN A 44 6.931 -12.264 5.303 1.00 0.00 C ATOM 594 C GLN A 44 6.177 -11.962 6.600 1.00 0.00 C ATOM 595 O GLN A 44 6.309 -12.690 7.582 1.00 0.00 O ATOM 596 CB GLN A 44 8.386 -11.800 5.394 1.00 0.00 C ATOM 597 CG GLN A 44 9.230 -12.420 4.279 1.00 0.00 C ATOM 598 CD GLN A 44 10.654 -11.860 4.294 1.00 0.00 C ATOM 599 OE1 GLN A 44 10.892 -10.707 4.612 1.00 0.00 O ATOM 600 NE2 GLN A 44 11.585 -12.740 3.933 1.00 0.00 N ATOM 0 H GLN A 44 6.825 -10.981 3.650 1.00 0.00 H new ATOM 0 HA GLN A 44 6.937 -13.343 5.152 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.430 -10.713 5.326 1.00 0.00 H new ATOM 0 HB3 GLN A 44 8.799 -12.076 6.364 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.260 -13.503 4.400 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.767 -12.220 3.313 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.317 -13.691 3.678 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.567 -12.464 3.911 1.00 0.00 H new ATOM 609 N ALA A 45 5.402 -10.888 6.560 1.00 0.00 N ATOM 610 CA ALA A 45 4.627 -10.482 7.720 1.00 0.00 C ATOM 611 C ALA A 45 3.226 -11.090 7.630 1.00 0.00 C ATOM 612 O ALA A 45 2.323 -10.689 8.363 1.00 0.00 O ATOM 613 CB ALA A 45 4.595 -8.954 7.803 1.00 0.00 C ATOM 0 H ALA A 45 5.294 -10.287 5.743 1.00 0.00 H new ATOM 0 HA ALA A 45 5.088 -10.849 8.637 1.00 0.00 H new ATOM 0 HB1 ALA A 45 4.014 -8.649 8.673 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.612 -8.573 7.895 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.136 -8.550 6.900 1.00 0.00 H new ATOM 619 N HIS A 46 3.089 -12.049 6.726 1.00 0.00 N ATOM 620 CA HIS A 46 1.813 -12.717 6.532 1.00 0.00 C ATOM 621 C HIS A 46 0.788 -11.719 5.991 1.00 0.00 C ATOM 622 O HIS A 46 -0.352 -11.683 6.451 1.00 0.00 O ATOM 623 CB HIS A 46 1.354 -13.398 7.823 1.00 0.00 C ATOM 624 CG HIS A 46 2.374 -14.339 8.417 1.00 0.00 C ATOM 625 ND1 HIS A 46 3.664 -14.126 8.805 1.00 0.00 N flip ATOM 626 CD2 HIS A 46 2.105 -15.673 8.670 1.00 0.00 C flip ATOM 627 CE1 HIS A 46 4.157 -15.267 9.271 1.00 0.00 C flip ATOM 628 NE2 HIS A 46 3.192 -16.228 9.187 1.00 0.00 N flip ATOM 0 H HIS A 46 3.840 -12.379 6.120 1.00 0.00 H new ATOM 0 HA HIS A 46 1.922 -13.509 5.791 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.110 -12.632 8.559 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.437 -13.952 7.623 1.00 0.00 H new ATOM 0 HD2 HIS A 46 1.169 -16.176 8.479 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.157 -15.411 9.653 1.00 0.00 H new ATOM 0 HE2 HIS A 46 3.290 -17.202 9.472 1.00 0.00 H new ATOM 636 N VAL A 47 1.231 -10.932 5.021 1.00 0.00 N ATOM 637 CA VAL A 47 0.366 -9.935 4.412 1.00 0.00 C ATOM 638 C VAL A 47 -0.157 -10.468 3.077 1.00 0.00 C ATOM 639 O VAL A 47 0.611 -10.648 2.133 1.00 0.00 O ATOM 640 CB VAL A 47 1.114 -8.608 4.275 1.00 0.00 C ATOM 641 CG1 VAL A 47 0.250 -7.563 3.566 1.00 0.00 C ATOM 642 CG2 VAL A 47 1.581 -8.098 5.640 1.00 0.00 C ATOM 0 H VAL A 47 2.177 -10.964 4.642 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.499 -9.741 5.046 1.00 0.00 H new ATOM 0 HB VAL A 47 1.998 -8.784 3.663 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.805 -6.629 3.481 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.011 -7.922 2.570 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.661 -7.393 4.141 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.110 -7.153 5.514 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.717 -7.947 6.287 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.249 -8.830 6.093 1.00 0.00 H new ATOM 652 N ARG A 48 -1.460 -10.705 3.040 1.00 0.00 N ATOM 653 CA ARG A 48 -2.095 -11.213 1.836 1.00 0.00 C ATOM 654 C ARG A 48 -2.802 -10.079 1.090 1.00 0.00 C ATOM 655 O ARG A 48 -3.088 -9.033 1.670 1.00 0.00 O ATOM 656 CB ARG A 48 -3.111 -12.307 2.168 1.00 0.00 C ATOM 657 CG ARG A 48 -2.453 -13.688 2.159 1.00 0.00 C ATOM 658 CD ARG A 48 -2.827 -14.482 3.412 1.00 0.00 C ATOM 659 NE ARG A 48 -2.271 -13.822 4.615 1.00 0.00 N ATOM 660 CZ ARG A 48 -2.648 -14.105 5.869 1.00 0.00 C ATOM 661 NH1 ARG A 48 -3.583 -15.039 6.093 1.00 0.00 N ATOM 662 NH2 ARG A 48 -2.089 -13.456 6.899 1.00 0.00 N ATOM 0 H ARG A 48 -2.094 -10.554 3.825 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.315 -11.638 1.204 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -3.550 -12.116 3.147 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.925 -12.284 1.444 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -2.764 -14.237 1.270 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -1.370 -13.578 2.103 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.911 -14.555 3.496 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -2.444 -15.500 3.336 1.00 0.00 H new ATOM 0 HE ARG A 48 -1.556 -13.107 4.481 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.007 -15.534 5.309 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -3.870 -15.255 7.048 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -1.376 -12.746 6.728 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -2.376 -13.671 7.854 1.00 0.00 H new ATOM 676 N ILE A 49 -3.063 -10.326 -0.185 1.00 0.00 N ATOM 677 CA ILE A 49 -3.731 -9.339 -1.017 1.00 0.00 C ATOM 678 C ILE A 49 -5.152 -9.117 -0.495 1.00 0.00 C ATOM 679 O ILE A 49 -5.816 -10.062 -0.071 1.00 0.00 O ATOM 680 CB ILE A 49 -3.673 -9.751 -2.489 1.00 0.00 C ATOM 681 CG1 ILE A 49 -2.335 -9.356 -3.117 1.00 0.00 C ATOM 682 CG2 ILE A 49 -4.862 -9.179 -3.265 1.00 0.00 C ATOM 683 CD1 ILE A 49 -2.337 -9.622 -4.624 1.00 0.00 C ATOM 0 H ILE A 49 -2.824 -11.195 -0.663 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.216 -8.380 -0.959 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.745 -10.837 -2.543 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.139 -8.300 -2.931 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.528 -9.918 -2.646 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.797 -9.486 -4.309 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.791 -9.552 -2.834 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.846 -8.091 -3.206 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.375 -9.333 -5.046 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.509 -10.683 -4.806 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.129 -9.040 -5.095 1.00 0.00 H new ATOM 695 N GLY A 50 -5.578 -7.863 -0.544 1.00 0.00 N ATOM 696 CA GLY A 50 -6.908 -7.506 -0.082 1.00 0.00 C ATOM 697 C GLY A 50 -6.849 -6.833 1.291 1.00 0.00 C ATOM 698 O GLY A 50 -7.804 -6.179 1.707 1.00 0.00 O ATOM 0 H GLY A 50 -5.025 -7.082 -0.897 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.378 -6.834 -0.800 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.530 -8.400 -0.027 1.00 0.00 H new ATOM 702 N ASP A 51 -5.718 -7.017 1.956 1.00 0.00 N ATOM 703 CA ASP A 51 -5.522 -6.436 3.274 1.00 0.00 C ATOM 704 C ASP A 51 -5.789 -4.931 3.208 1.00 0.00 C ATOM 705 O ASP A 51 -5.219 -4.232 2.372 1.00 0.00 O ATOM 706 CB ASP A 51 -4.086 -6.641 3.758 1.00 0.00 C ATOM 707 CG ASP A 51 -3.721 -8.084 4.111 1.00 0.00 C ATOM 708 OD1 ASP A 51 -4.563 -8.966 3.834 1.00 0.00 O ATOM 709 OD2 ASP A 51 -2.610 -8.273 4.651 1.00 0.00 O ATOM 0 H ASP A 51 -4.928 -7.560 1.607 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.208 -6.926 3.964 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.404 -6.289 2.984 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.922 -6.016 4.636 1.00 0.00 H new ATOM 714 N VAL A 52 -6.657 -4.477 4.100 1.00 0.00 N ATOM 715 CA VAL A 52 -7.006 -3.067 4.154 1.00 0.00 C ATOM 716 C VAL A 52 -6.066 -2.349 5.124 1.00 0.00 C ATOM 717 O VAL A 52 -5.875 -2.796 6.254 1.00 0.00 O ATOM 718 CB VAL A 52 -8.482 -2.908 4.524 1.00 0.00 C ATOM 719 CG1 VAL A 52 -8.840 -1.434 4.727 1.00 0.00 C ATOM 720 CG2 VAL A 52 -9.384 -3.551 3.469 1.00 0.00 C ATOM 0 H VAL A 52 -7.129 -5.060 4.791 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.878 -2.604 3.176 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.649 -3.427 5.468 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -9.895 -1.348 4.989 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.232 -1.019 5.531 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.649 -0.883 3.806 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -10.428 -3.424 3.756 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -9.212 -3.074 2.504 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -9.155 -4.614 3.394 1.00 0.00 H new ATOM 730 N VAL A 53 -5.502 -1.249 4.647 1.00 0.00 N ATOM 731 CA VAL A 53 -4.586 -0.465 5.458 1.00 0.00 C ATOM 732 C VAL A 53 -5.386 0.511 6.324 1.00 0.00 C ATOM 733 O VAL A 53 -5.835 1.549 5.842 1.00 0.00 O ATOM 734 CB VAL A 53 -3.560 0.232 4.563 1.00 0.00 C ATOM 735 CG1 VAL A 53 -2.542 1.009 5.399 1.00 0.00 C ATOM 736 CG2 VAL A 53 -2.863 -0.772 3.643 1.00 0.00 C ATOM 0 H VAL A 53 -5.662 -0.882 3.709 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.023 -1.111 6.132 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.093 0.946 3.936 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.824 1.495 4.738 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.058 1.764 5.992 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.017 0.323 6.063 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -2.139 -0.250 3.017 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.349 -1.521 4.245 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.604 -1.261 3.010 1.00 0.00 H new ATOM 746 N LEU A 54 -5.539 0.142 7.588 1.00 0.00 N ATOM 747 CA LEU A 54 -6.276 0.972 8.525 1.00 0.00 C ATOM 748 C LEU A 54 -5.506 2.273 8.763 1.00 0.00 C ATOM 749 O LEU A 54 -6.101 3.346 8.838 1.00 0.00 O ATOM 750 CB LEU A 54 -6.579 0.193 9.806 1.00 0.00 C ATOM 751 CG LEU A 54 -7.444 -1.058 9.642 1.00 0.00 C ATOM 752 CD1 LEU A 54 -7.334 -1.966 10.868 1.00 0.00 C ATOM 753 CD2 LEU A 54 -8.896 -0.685 9.334 1.00 0.00 C ATOM 0 H LEU A 54 -5.165 -0.720 7.984 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.246 1.247 8.110 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.633 -0.101 10.261 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.075 0.864 10.507 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.068 -1.622 8.789 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.959 -2.848 10.725 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.297 -2.274 11.001 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.668 -1.424 11.753 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.489 -1.593 9.222 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.299 -0.087 10.151 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.936 -0.110 8.409 1.00 0.00 H new ATOM 765 N SER A 55 -4.193 2.133 8.876 1.00 0.00 N ATOM 766 CA SER A 55 -3.335 3.283 9.105 1.00 0.00 C ATOM 767 C SER A 55 -2.060 3.159 8.269 1.00 0.00 C ATOM 768 O SER A 55 -1.758 2.088 7.745 1.00 0.00 O ATOM 769 CB SER A 55 -2.986 3.425 10.588 1.00 0.00 C ATOM 770 OG SER A 55 -2.725 2.163 11.197 1.00 0.00 O ATOM 0 H SER A 55 -3.703 1.241 8.813 1.00 0.00 H new ATOM 0 HA SER A 55 -3.876 4.179 8.800 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.112 4.067 10.695 1.00 0.00 H new ATOM 0 HB3 SER A 55 -3.808 3.916 11.109 1.00 0.00 H new ATOM 0 HG SER A 55 -2.820 2.243 12.169 1.00 0.00 H new ATOM 776 N ILE A 56 -1.344 4.270 8.171 1.00 0.00 N ATOM 777 CA ILE A 56 -0.108 4.299 7.407 1.00 0.00 C ATOM 778 C ILE A 56 0.939 5.113 8.171 1.00 0.00 C ATOM 779 O ILE A 56 0.998 6.334 8.039 1.00 0.00 O ATOM 780 CB ILE A 56 -0.367 4.807 5.988 1.00 0.00 C ATOM 781 CG1 ILE A 56 -0.996 3.715 5.120 1.00 0.00 C ATOM 782 CG2 ILE A 56 0.913 5.368 5.365 1.00 0.00 C ATOM 783 CD1 ILE A 56 -1.370 4.259 3.740 1.00 0.00 C ATOM 0 H ILE A 56 -1.596 5.156 8.608 1.00 0.00 H new ATOM 0 HA ILE A 56 0.293 3.292 7.291 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.084 5.626 6.044 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.298 2.885 5.011 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.885 3.321 5.613 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.702 5.723 4.356 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.280 6.196 5.971 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.671 4.585 5.323 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.815 3.463 3.143 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.087 5.073 3.852 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.475 4.630 3.240 1.00 0.00 H new ATOM 795 N ASP A 57 1.738 4.403 8.953 1.00 0.00 N ATOM 796 CA ASP A 57 2.780 5.044 9.738 1.00 0.00 C ATOM 797 C ASP A 57 2.144 5.765 10.928 1.00 0.00 C ATOM 798 O ASP A 57 2.473 6.917 11.209 1.00 0.00 O ATOM 799 CB ASP A 57 3.536 6.082 8.906 1.00 0.00 C ATOM 800 CG ASP A 57 4.995 6.297 9.312 1.00 0.00 C ATOM 801 OD1 ASP A 57 5.668 5.277 9.576 1.00 0.00 O ATOM 802 OD2 ASP A 57 5.406 7.477 9.350 1.00 0.00 O ATOM 0 H ASP A 57 1.685 3.390 9.060 1.00 0.00 H new ATOM 0 HA ASP A 57 3.475 4.273 10.071 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.507 5.778 7.860 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.011 7.035 8.976 1.00 0.00 H new ATOM 807 N GLY A 58 1.245 5.058 11.597 1.00 0.00 N ATOM 808 CA GLY A 58 0.561 5.616 12.751 1.00 0.00 C ATOM 809 C GLY A 58 -0.411 6.721 12.330 1.00 0.00 C ATOM 810 O GLY A 58 -0.955 7.428 13.177 1.00 0.00 O ATOM 0 H GLY A 58 0.974 4.103 11.362 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.018 4.828 13.273 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.292 6.017 13.453 1.00 0.00 H new ATOM 814 N ILE A 59 -0.599 6.834 11.024 1.00 0.00 N ATOM 815 CA ILE A 59 -1.495 7.840 10.481 1.00 0.00 C ATOM 816 C ILE A 59 -2.764 7.161 9.964 1.00 0.00 C ATOM 817 O ILE A 59 -2.704 6.064 9.410 1.00 0.00 O ATOM 818 CB ILE A 59 -0.777 8.685 9.427 1.00 0.00 C ATOM 819 CG1 ILE A 59 0.360 9.495 10.055 1.00 0.00 C ATOM 820 CG2 ILE A 59 -1.765 9.576 8.671 1.00 0.00 C ATOM 821 CD1 ILE A 59 -0.127 10.879 10.488 1.00 0.00 C ATOM 0 H ILE A 59 -0.146 6.245 10.325 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.801 8.537 11.261 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.328 8.011 8.697 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.759 8.960 10.917 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.175 9.600 9.339 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.228 10.166 7.928 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.508 8.954 8.172 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.264 10.244 9.373 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.700 11.434 10.931 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.503 11.420 9.620 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.925 10.771 11.222 1.00 0.00 H new ATOM 833 N SER A 60 -3.884 7.840 10.162 1.00 0.00 N ATOM 834 CA SER A 60 -5.166 7.316 9.723 1.00 0.00 C ATOM 835 C SER A 60 -5.253 7.360 8.196 1.00 0.00 C ATOM 836 O SER A 60 -5.100 8.421 7.592 1.00 0.00 O ATOM 837 CB SER A 60 -6.324 8.100 10.343 1.00 0.00 C ATOM 838 OG SER A 60 -7.100 7.296 11.227 1.00 0.00 O ATOM 0 H SER A 60 -3.930 8.750 10.621 1.00 0.00 H new ATOM 0 HA SER A 60 -5.245 6.281 10.056 1.00 0.00 H new ATOM 0 HB2 SER A 60 -5.930 8.959 10.886 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.964 8.489 9.551 1.00 0.00 H new ATOM 0 HG SER A 60 -7.828 7.833 11.604 1.00 0.00 H new ATOM 844 N ALA A 61 -5.500 6.195 7.615 1.00 0.00 N ATOM 845 CA ALA A 61 -5.609 6.087 6.171 1.00 0.00 C ATOM 846 C ALA A 61 -7.083 6.163 5.768 1.00 0.00 C ATOM 847 O ALA A 61 -7.476 5.630 4.731 1.00 0.00 O ATOM 848 CB ALA A 61 -4.943 4.791 5.703 1.00 0.00 C ATOM 0 H ALA A 61 -5.628 5.317 8.119 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.091 6.914 5.685 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.025 4.711 4.619 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -3.891 4.799 5.988 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.438 3.939 6.169 1.00 0.00 H new ATOM 854 N GLN A 62 -7.860 6.828 6.610 1.00 0.00 N ATOM 855 CA GLN A 62 -9.283 6.980 6.355 1.00 0.00 C ATOM 856 C GLN A 62 -9.546 8.265 5.567 1.00 0.00 C ATOM 857 O GLN A 62 -9.886 9.295 6.148 1.00 0.00 O ATOM 858 CB GLN A 62 -10.078 6.966 7.662 1.00 0.00 C ATOM 859 CG GLN A 62 -10.682 5.584 7.921 1.00 0.00 C ATOM 860 CD GLN A 62 -11.834 5.299 6.954 1.00 0.00 C ATOM 861 OE1 GLN A 62 -12.767 6.072 6.815 1.00 0.00 O ATOM 862 NE2 GLN A 62 -11.716 4.149 6.297 1.00 0.00 N ATOM 0 H GLN A 62 -7.531 7.268 7.470 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.618 6.134 5.755 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.427 7.244 8.491 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.872 7.711 7.617 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -9.912 4.820 7.810 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.042 5.527 8.948 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.908 3.548 6.461 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -12.433 3.868 5.629 1.00 0.00 H new ATOM 871 N GLY A 63 -9.379 8.162 4.257 1.00 0.00 N ATOM 872 CA GLY A 63 -9.594 9.303 3.383 1.00 0.00 C ATOM 873 C GLY A 63 -8.382 9.539 2.480 1.00 0.00 C ATOM 874 O GLY A 63 -8.529 9.718 1.272 1.00 0.00 O ATOM 0 H GLY A 63 -9.097 7.306 3.779 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.480 9.135 2.771 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.784 10.194 3.982 1.00 0.00 H new ATOM 878 N MET A 64 -7.212 9.532 3.101 1.00 0.00 N ATOM 879 CA MET A 64 -5.975 9.743 2.369 1.00 0.00 C ATOM 880 C MET A 64 -6.015 9.041 1.010 1.00 0.00 C ATOM 881 O MET A 64 -6.248 7.836 0.937 1.00 0.00 O ATOM 882 CB MET A 64 -4.799 9.205 3.186 1.00 0.00 C ATOM 883 CG MET A 64 -4.396 10.193 4.283 1.00 0.00 C ATOM 884 SD MET A 64 -2.636 10.106 4.568 1.00 0.00 S ATOM 885 CE MET A 64 -2.503 8.432 5.175 1.00 0.00 C ATOM 0 H MET A 64 -7.094 9.383 4.103 1.00 0.00 H new ATOM 0 HA MET A 64 -5.853 10.813 2.201 1.00 0.00 H new ATOM 0 HB2 MET A 64 -5.070 8.249 3.634 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.950 9.019 2.529 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.676 11.206 3.992 1.00 0.00 H new ATOM 0 HG3 MET A 64 -4.933 9.966 5.204 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.538 8.298 5.665 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.303 8.240 5.890 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.587 7.735 4.341 1.00 0.00 H new ATOM 895 N THR A 65 -5.785 9.826 -0.033 1.00 0.00 N ATOM 896 CA THR A 65 -5.793 9.294 -1.385 1.00 0.00 C ATOM 897 C THR A 65 -4.570 8.405 -1.615 1.00 0.00 C ATOM 898 O THR A 65 -3.617 8.440 -0.838 1.00 0.00 O ATOM 899 CB THR A 65 -5.878 10.474 -2.356 1.00 0.00 C ATOM 900 OG1 THR A 65 -5.045 11.469 -1.768 1.00 0.00 O ATOM 901 CG2 THR A 65 -7.267 11.116 -2.377 1.00 0.00 C ATOM 0 H THR A 65 -5.592 10.826 0.031 1.00 0.00 H new ATOM 0 HA THR A 65 -6.658 8.653 -1.553 1.00 0.00 H new ATOM 0 HB THR A 65 -5.618 10.137 -3.360 1.00 0.00 H new ATOM 0 HG1 THR A 65 -5.041 12.269 -2.334 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.273 11.948 -3.082 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.006 10.375 -2.684 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.513 11.483 -1.381 1.00 0.00 H new ATOM 909 N HIS A 66 -4.635 7.629 -2.688 1.00 0.00 N ATOM 910 CA HIS A 66 -3.545 6.732 -3.030 1.00 0.00 C ATOM 911 C HIS A 66 -2.218 7.491 -2.971 1.00 0.00 C ATOM 912 O HIS A 66 -1.310 7.107 -2.236 1.00 0.00 O ATOM 913 CB HIS A 66 -3.791 6.072 -4.388 1.00 0.00 C ATOM 914 CG HIS A 66 -3.084 4.749 -4.565 1.00 0.00 C ATOM 915 ND1 HIS A 66 -2.567 4.331 -5.779 1.00 0.00 N ATOM 916 CD2 HIS A 66 -2.813 3.756 -3.669 1.00 0.00 C ATOM 917 CE1 HIS A 66 -2.014 3.139 -5.610 1.00 0.00 C ATOM 918 NE2 HIS A 66 -2.168 2.785 -4.302 1.00 0.00 N ATOM 0 H HIS A 66 -5.426 7.604 -3.331 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.493 5.923 -2.302 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -4.863 5.920 -4.518 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -3.468 6.753 -5.175 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -2.605 4.852 -6.655 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -3.079 3.760 -2.622 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -1.527 2.551 -6.374 1.00 0.00 H new ATOM 926 N LEU A 67 -2.147 8.556 -3.757 1.00 0.00 N ATOM 927 CA LEU A 67 -0.946 9.373 -3.804 1.00 0.00 C ATOM 928 C LEU A 67 -0.506 9.707 -2.377 1.00 0.00 C ATOM 929 O LEU A 67 0.620 9.408 -1.985 1.00 0.00 O ATOM 930 CB LEU A 67 -1.171 10.605 -4.683 1.00 0.00 C ATOM 931 CG LEU A 67 -0.177 11.753 -4.494 1.00 0.00 C ATOM 932 CD1 LEU A 67 1.260 11.277 -4.715 1.00 0.00 C ATOM 933 CD2 LEU A 67 -0.533 12.939 -5.393 1.00 0.00 C ATOM 0 H LEU A 67 -2.902 8.872 -4.366 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.128 8.823 -4.270 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.141 10.293 -5.727 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.175 10.985 -4.493 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.246 12.098 -3.462 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.946 12.113 -4.575 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.496 10.489 -4.000 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.363 10.889 -5.729 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.189 13.741 -5.240 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.510 12.625 -6.436 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.532 13.297 -5.144 1.00 0.00 H new ATOM 945 N GLU A 68 -1.418 10.324 -1.640 1.00 0.00 N ATOM 946 CA GLU A 68 -1.138 10.702 -0.265 1.00 0.00 C ATOM 947 C GLU A 68 -0.606 9.500 0.518 1.00 0.00 C ATOM 948 O GLU A 68 0.507 9.538 1.039 1.00 0.00 O ATOM 949 CB GLU A 68 -2.382 11.287 0.407 1.00 0.00 C ATOM 950 CG GLU A 68 -2.714 12.669 -0.161 1.00 0.00 C ATOM 951 CD GLU A 68 -2.380 13.771 0.846 1.00 0.00 C ATOM 952 OE1 GLU A 68 -3.046 13.794 1.903 1.00 0.00 O ATOM 953 OE2 GLU A 68 -1.466 14.565 0.536 1.00 0.00 O ATOM 0 H GLU A 68 -2.351 10.572 -1.969 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.370 11.476 -0.271 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.229 10.616 0.260 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.218 11.362 1.482 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.154 12.831 -1.082 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.772 12.716 -0.419 1.00 0.00 H new ATOM 960 N ALA A 69 -1.427 8.462 0.577 1.00 0.00 N ATOM 961 CA ALA A 69 -1.053 7.251 1.288 1.00 0.00 C ATOM 962 C ALA A 69 0.351 6.825 0.856 1.00 0.00 C ATOM 963 O ALA A 69 1.190 6.498 1.695 1.00 0.00 O ATOM 964 CB ALA A 69 -2.098 6.164 1.030 1.00 0.00 C ATOM 0 H ALA A 69 -2.350 8.434 0.144 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.027 7.429 2.363 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.817 5.256 1.563 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.072 6.505 1.381 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.150 5.956 -0.039 1.00 0.00 H new ATOM 970 N GLN A 70 0.565 6.842 -0.451 1.00 0.00 N ATOM 971 CA GLN A 70 1.853 6.461 -1.004 1.00 0.00 C ATOM 972 C GLN A 70 2.943 7.421 -0.521 1.00 0.00 C ATOM 973 O GLN A 70 4.083 7.013 -0.305 1.00 0.00 O ATOM 974 CB GLN A 70 1.802 6.415 -2.533 1.00 0.00 C ATOM 975 CG GLN A 70 0.884 5.290 -3.016 1.00 0.00 C ATOM 976 CD GLN A 70 1.685 4.023 -3.323 1.00 0.00 C ATOM 977 OE1 GLN A 70 2.431 3.516 -2.501 1.00 0.00 O ATOM 978 NE2 GLN A 70 1.489 3.542 -4.547 1.00 0.00 N ATOM 0 H GLN A 70 -0.133 7.114 -1.144 1.00 0.00 H new ATOM 0 HA GLN A 70 2.096 5.459 -0.651 1.00 0.00 H new ATOM 0 HB2 GLN A 70 1.446 7.371 -2.918 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.806 6.266 -2.930 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.134 5.075 -2.254 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.348 5.611 -3.909 1.00 0.00 H new ATOM 0 HE21 GLN A 70 0.850 4.016 -5.185 1.00 0.00 H new ATOM 0 HE22 GLN A 70 1.978 2.699 -4.848 1.00 0.00 H new ATOM 987 N ASN A 71 2.553 8.678 -0.367 1.00 0.00 N ATOM 988 CA ASN A 71 3.483 9.699 0.087 1.00 0.00 C ATOM 989 C ASN A 71 4.007 9.325 1.475 1.00 0.00 C ATOM 990 O ASN A 71 5.215 9.314 1.703 1.00 0.00 O ATOM 991 CB ASN A 71 2.796 11.062 0.192 1.00 0.00 C ATOM 992 CG ASN A 71 3.478 12.091 -0.711 1.00 0.00 C ATOM 993 OD1 ASN A 71 4.645 12.412 -0.558 1.00 0.00 O ATOM 994 ND2 ASN A 71 2.688 12.589 -1.657 1.00 0.00 N ATOM 0 H ASN A 71 1.607 9.013 -0.548 1.00 0.00 H new ATOM 0 HA ASN A 71 4.296 9.760 -0.636 1.00 0.00 H new ATOM 0 HB2 ASN A 71 1.747 10.967 -0.087 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.821 11.407 1.226 1.00 0.00 H new ATOM 0 HD21 ASN A 71 3.050 13.284 -2.310 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.720 12.276 -1.730 1.00 0.00 H new ATOM 1001 N LYS A 72 3.072 9.028 2.365 1.00 0.00 N ATOM 1002 CA LYS A 72 3.424 8.655 3.724 1.00 0.00 C ATOM 1003 C LYS A 72 4.476 7.544 3.687 1.00 0.00 C ATOM 1004 O LYS A 72 5.493 7.624 4.374 1.00 0.00 O ATOM 1005 CB LYS A 72 2.171 8.289 4.522 1.00 0.00 C ATOM 1006 CG LYS A 72 1.432 9.545 4.989 1.00 0.00 C ATOM 1007 CD LYS A 72 2.066 10.112 6.261 1.00 0.00 C ATOM 1008 CE LYS A 72 1.186 11.205 6.871 1.00 0.00 C ATOM 1009 NZ LYS A 72 1.942 12.472 6.990 1.00 0.00 N ATOM 0 H LYS A 72 2.071 9.038 2.171 1.00 0.00 H new ATOM 0 HA LYS A 72 3.870 9.501 4.247 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.508 7.681 3.907 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.449 7.684 5.385 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.453 10.298 4.201 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.385 9.307 5.175 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.213 9.312 6.986 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.051 10.519 6.031 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.303 11.358 6.250 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.834 10.891 7.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.331 13.203 7.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.771 12.326 7.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.256 12.778 6.047 1.00 0.00 H new ATOM 1023 N ILE A 73 4.194 6.533 2.878 1.00 0.00 N ATOM 1024 CA ILE A 73 5.102 5.407 2.743 1.00 0.00 C ATOM 1025 C ILE A 73 6.526 5.928 2.539 1.00 0.00 C ATOM 1026 O ILE A 73 7.473 5.402 3.122 1.00 0.00 O ATOM 1027 CB ILE A 73 4.627 4.466 1.634 1.00 0.00 C ATOM 1028 CG1 ILE A 73 3.469 3.591 2.116 1.00 0.00 C ATOM 1029 CG2 ILE A 73 5.788 3.632 1.089 1.00 0.00 C ATOM 1030 CD1 ILE A 73 2.427 3.402 1.012 1.00 0.00 C ATOM 0 H ILE A 73 3.349 6.470 2.309 1.00 0.00 H new ATOM 0 HA ILE A 73 5.108 4.810 3.655 1.00 0.00 H new ATOM 0 HB ILE A 73 4.251 5.072 0.810 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.850 2.620 2.432 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.001 4.049 2.988 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.424 2.972 0.302 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.552 4.294 0.682 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.217 3.035 1.894 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.615 2.776 1.382 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.031 4.373 0.716 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.892 2.922 0.151 1.00 0.00 H new ATOM 1042 N LYS A 74 6.633 6.957 1.710 1.00 0.00 N ATOM 1043 CA LYS A 74 7.926 7.555 1.422 1.00 0.00 C ATOM 1044 C LYS A 74 8.484 8.190 2.697 1.00 0.00 C ATOM 1045 O LYS A 74 9.695 8.201 2.911 1.00 0.00 O ATOM 1046 CB LYS A 74 7.816 8.528 0.247 1.00 0.00 C ATOM 1047 CG LYS A 74 8.591 8.012 -0.967 1.00 0.00 C ATOM 1048 CD LYS A 74 8.753 9.109 -2.021 1.00 0.00 C ATOM 1049 CE LYS A 74 10.005 9.946 -1.754 1.00 0.00 C ATOM 1050 NZ LYS A 74 10.655 10.327 -3.027 1.00 0.00 N ATOM 0 H LYS A 74 5.845 7.391 1.229 1.00 0.00 H new ATOM 0 HA LYS A 74 8.638 6.792 1.108 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.768 8.666 -0.018 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.202 9.504 0.541 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.572 7.657 -0.652 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.068 7.160 -1.401 1.00 0.00 H new ATOM 0 HD2 LYS A 74 8.816 8.659 -3.012 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.874 9.753 -2.019 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.738 10.842 -1.193 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.703 9.380 -1.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 11.503 10.895 -2.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 10.927 9.469 -3.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 9.992 10.885 -3.602 1.00 0.00 H new ATOM 1064 N ALA A 75 7.574 8.704 3.512 1.00 0.00 N ATOM 1065 CA ALA A 75 7.960 9.340 4.760 1.00 0.00 C ATOM 1066 C ALA A 75 8.757 8.347 5.608 1.00 0.00 C ATOM 1067 O ALA A 75 9.536 8.747 6.472 1.00 0.00 O ATOM 1068 CB ALA A 75 6.711 9.851 5.480 1.00 0.00 C ATOM 0 H ALA A 75 6.570 8.693 3.332 1.00 0.00 H new ATOM 0 HA ALA A 75 8.602 10.200 4.570 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.000 10.328 6.416 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.197 10.575 4.848 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.044 9.015 5.690 1.00 0.00 H new ATOM 1106 N SER A 79 11.830 1.739 8.368 1.00 0.00 N ATOM 1107 CA SER A 79 10.813 0.701 8.373 1.00 0.00 C ATOM 1108 C SER A 79 9.425 1.327 8.219 1.00 0.00 C ATOM 1109 O SER A 79 9.256 2.528 8.424 1.00 0.00 O ATOM 1110 CB SER A 79 10.880 -0.130 9.656 1.00 0.00 C ATOM 1111 OG SER A 79 11.172 0.672 10.797 1.00 0.00 O ATOM 0 HA SER A 79 11.000 0.035 7.530 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.930 -0.642 9.806 1.00 0.00 H new ATOM 0 HB3 SER A 79 11.644 -0.900 9.549 1.00 0.00 H new ATOM 0 HG SER A 79 11.537 1.534 10.506 1.00 0.00 H new ATOM 1117 N LEU A 80 8.468 0.485 7.858 1.00 0.00 N ATOM 1118 CA LEU A 80 7.101 0.941 7.673 1.00 0.00 C ATOM 1119 C LEU A 80 6.220 0.358 8.780 1.00 0.00 C ATOM 1120 O LEU A 80 6.401 -0.790 9.183 1.00 0.00 O ATOM 1121 CB LEU A 80 6.612 0.612 6.261 1.00 0.00 C ATOM 1122 CG LEU A 80 5.540 1.541 5.689 1.00 0.00 C ATOM 1123 CD1 LEU A 80 6.071 2.969 5.544 1.00 0.00 C ATOM 1124 CD2 LEU A 80 4.991 0.997 4.369 1.00 0.00 C ATOM 0 H LEU A 80 8.612 -0.510 7.689 1.00 0.00 H new ATOM 0 HA LEU A 80 7.047 2.026 7.759 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.470 0.623 5.589 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.220 -0.405 6.261 1.00 0.00 H new ATOM 0 HG LEU A 80 4.709 1.577 6.393 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.289 3.608 5.135 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.374 3.346 6.521 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.929 2.972 4.872 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.231 1.676 3.984 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.802 0.912 3.645 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.549 0.015 4.536 1.00 0.00 H new ATOM 1136 N ASN A 81 5.284 1.176 9.240 1.00 0.00 N ATOM 1137 CA ASN A 81 4.375 0.756 10.292 1.00 0.00 C ATOM 1138 C ASN A 81 2.938 1.083 9.879 1.00 0.00 C ATOM 1139 O ASN A 81 2.525 2.240 9.919 1.00 0.00 O ATOM 1140 CB ASN A 81 4.669 1.491 11.601 1.00 0.00 C ATOM 1141 CG ASN A 81 5.251 0.538 12.647 1.00 0.00 C ATOM 1142 OD1 ASN A 81 4.626 0.209 13.641 1.00 0.00 O ATOM 1143 ND2 ASN A 81 6.480 0.114 12.367 1.00 0.00 N ATOM 0 H ASN A 81 5.136 2.127 8.903 1.00 0.00 H new ATOM 0 HA ASN A 81 4.507 -0.315 10.443 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.370 2.305 11.416 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.753 1.940 11.983 1.00 0.00 H new ATOM 0 HD21 ASN A 81 6.956 -0.526 13.003 1.00 0.00 H new ATOM 0 HD22 ASN A 81 6.947 0.429 11.516 1.00 0.00 H new ATOM 1150 N MET A 82 2.216 0.041 9.491 1.00 0.00 N ATOM 1151 CA MET A 82 0.835 0.203 9.071 1.00 0.00 C ATOM 1152 C MET A 82 -0.037 -0.936 9.604 1.00 0.00 C ATOM 1153 O MET A 82 0.364 -2.098 9.570 1.00 0.00 O ATOM 1154 CB MET A 82 0.765 0.228 7.543 1.00 0.00 C ATOM 1155 CG MET A 82 1.897 1.074 6.956 1.00 0.00 C ATOM 1156 SD MET A 82 1.768 1.117 5.177 1.00 0.00 S ATOM 1157 CE MET A 82 2.005 -0.614 4.808 1.00 0.00 C ATOM 0 H MET A 82 2.562 -0.918 9.459 1.00 0.00 H new ATOM 0 HA MET A 82 0.460 1.143 9.476 1.00 0.00 H new ATOM 0 HB2 MET A 82 0.828 -0.789 7.156 1.00 0.00 H new ATOM 0 HB3 MET A 82 -0.197 0.631 7.226 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.851 2.087 7.357 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.861 0.659 7.249 1.00 0.00 H new ATOM 0 HE1 MET A 82 2.167 -0.739 3.737 1.00 0.00 H new ATOM 0 HE2 MET A 82 2.873 -0.987 5.352 1.00 0.00 H new ATOM 0 HE3 MET A 82 1.120 -1.175 5.109 1.00 0.00 H new ATOM 1167 N THR A 83 -1.215 -0.562 10.083 1.00 0.00 N ATOM 1168 CA THR A 83 -2.147 -1.538 10.622 1.00 0.00 C ATOM 1169 C THR A 83 -2.957 -2.180 9.495 1.00 0.00 C ATOM 1170 O THR A 83 -3.241 -1.538 8.485 1.00 0.00 O ATOM 1171 CB THR A 83 -3.013 -0.835 11.669 1.00 0.00 C ATOM 1172 OG1 THR A 83 -2.091 -0.036 12.404 1.00 0.00 O ATOM 1173 CG2 THR A 83 -3.577 -1.806 12.710 1.00 0.00 C ATOM 0 H THR A 83 -1.545 0.403 10.109 1.00 0.00 H new ATOM 0 HA THR A 83 -1.623 -2.359 11.111 1.00 0.00 H new ATOM 0 HB THR A 83 -3.834 -0.318 11.172 1.00 0.00 H new ATOM 0 HG1 THR A 83 -1.950 0.814 11.937 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.184 -1.256 13.429 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.193 -2.555 12.213 1.00 0.00 H new ATOM 0 HG23 THR A 83 -2.756 -2.299 13.230 1.00 0.00 H new ATOM 1181 N LEU A 84 -3.307 -3.441 9.705 1.00 0.00 N ATOM 1182 CA LEU A 84 -4.079 -4.178 8.719 1.00 0.00 C ATOM 1183 C LEU A 84 -5.420 -4.589 9.331 1.00 0.00 C ATOM 1184 O LEU A 84 -5.577 -4.585 10.551 1.00 0.00 O ATOM 1185 CB LEU A 84 -3.267 -5.353 8.172 1.00 0.00 C ATOM 1186 CG LEU A 84 -1.931 -4.998 7.517 1.00 0.00 C ATOM 1187 CD1 LEU A 84 -1.289 -6.230 6.876 1.00 0.00 C ATOM 1188 CD2 LEU A 84 -2.098 -3.853 6.516 1.00 0.00 C ATOM 0 H LEU A 84 -3.070 -3.971 10.544 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.301 -3.546 7.859 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.075 -6.048 8.989 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.878 -5.882 7.441 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.252 -4.649 8.295 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.341 -5.949 6.418 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.113 -6.987 7.640 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.956 -6.632 6.113 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.133 -3.621 6.065 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.801 -4.150 5.737 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.479 -2.972 7.032 1.00 0.00 H new ATOM 1200 N GLN A 85 -6.353 -4.933 8.456 1.00 0.00 N ATOM 1201 CA GLN A 85 -7.675 -5.346 8.895 1.00 0.00 C ATOM 1202 C GLN A 85 -7.944 -6.794 8.480 1.00 0.00 C ATOM 1203 O GLN A 85 -7.520 -7.226 7.410 1.00 0.00 O ATOM 1204 CB GLN A 85 -8.753 -4.409 8.345 1.00 0.00 C ATOM 1205 CG GLN A 85 -10.148 -5.008 8.533 1.00 0.00 C ATOM 1206 CD GLN A 85 -10.644 -5.661 7.241 1.00 0.00 C ATOM 1207 OE1 GLN A 85 -10.231 -6.746 6.866 1.00 0.00 O ATOM 1208 NE2 GLN A 85 -11.549 -4.942 6.584 1.00 0.00 N ATOM 0 H GLN A 85 -6.220 -4.934 7.445 1.00 0.00 H new ATOM 0 HA GLN A 85 -7.710 -5.288 9.983 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.696 -3.446 8.852 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.573 -4.223 7.286 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.125 -5.748 9.333 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.844 -4.228 8.841 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -11.851 -4.041 6.954 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.941 -5.292 5.710 1.00 0.00 H new ATOM 1217 N ARG A 86 -8.647 -7.504 9.351 1.00 0.00 N ATOM 1218 CA ARG A 86 -8.978 -8.895 9.089 1.00 0.00 C ATOM 1219 C ARG A 86 -10.236 -8.987 8.224 1.00 0.00 C ATOM 1220 O ARG A 86 -11.308 -8.544 8.633 1.00 0.00 O ATOM 1221 CB ARG A 86 -9.205 -9.662 10.393 1.00 0.00 C ATOM 1222 CG ARG A 86 -7.875 -10.076 11.025 1.00 0.00 C ATOM 1223 CD ARG A 86 -6.981 -8.858 11.268 1.00 0.00 C ATOM 1224 NE ARG A 86 -5.808 -9.246 12.082 1.00 0.00 N ATOM 1225 CZ ARG A 86 -4.694 -9.797 11.580 1.00 0.00 C ATOM 1226 NH1 ARG A 86 -4.596 -10.029 10.264 1.00 0.00 N ATOM 1227 NH2 ARG A 86 -3.679 -10.117 12.395 1.00 0.00 N ATOM 0 H ARG A 86 -8.996 -7.142 10.238 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.137 -9.343 8.560 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.766 -9.041 11.091 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -9.810 -10.547 10.198 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.061 -10.589 11.968 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -7.363 -10.783 10.373 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.652 -8.442 10.316 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -7.546 -8.078 11.778 1.00 0.00 H new ATOM 0 HE ARG A 86 -5.850 -9.084 13.088 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.369 -9.786 9.644 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.748 -10.448 9.882 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.755 -9.941 13.397 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.831 -10.536 12.013 1.00 0.00 H new