USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 677 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 NoAdj-H: A 44 HIS HE2 : A 44 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 48 HIS HE2 : A 48 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 81 GLN : amide:sc= -1.36! C(o=-0.1!,f=-8.7!) USER MOD Set 1.2: A 83 SER OG : rot -28:sc= 1.26 USER MOD Set 2.1: A 46 ASN : amide:sc= -0.411 X(o=-4.6,f=-4.7) USER MOD Set 2.2: A 49 ASN : amide:sc= -4.2! C(o=-4.6!,f=-6.6!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 37:sc= 0.864 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= 0.0274 X(o=0.027,f=0) USER MOD Single : A 23 ASN : amide:sc= -0.212 X(o=-0.21,f=-0.33) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 25:sc= 0.142 USER MOD Single : A 26 TYR OH : rot 30:sc= -0.0999 USER MOD Single : A 27 GLN : amide:sc= -0.239 X(o=-0.24,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 33 SER OG : rot 104:sc= 0.53 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.686 F(o=-1.3,f=-0.69) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.714 K(o=-0.71,f=-1.9) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0361) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 67 SER OG : rot 32:sc= 0.444 USER MOD Single : A 68 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0152) USER MOD Single : A 69 GLN : amide:sc= -4.85! C(o=-4.9!,f=-6.9!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 30:sc= 0.139 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.564 43.286 -25.175 1.00 0.00 N ATOM 2 CA GLY A 1 -3.351 41.905 -25.566 1.00 0.00 C ATOM 3 C GLY A 1 -4.649 41.133 -25.698 1.00 0.00 C ATOM 4 O GLY A 1 -4.951 40.590 -26.760 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.647 43.771 -25.098 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.149 43.763 -25.890 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.049 43.316 -24.255 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.817 41.878 -26.516 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.714 41.416 -24.829 1.00 0.00 H new ATOM 8 N SER A 2 -5.419 41.084 -24.615 1.00 0.00 N ATOM 9 CA SER A 2 -6.690 40.368 -24.613 1.00 0.00 C ATOM 10 C SER A 2 -7.847 41.315 -24.912 1.00 0.00 C ATOM 11 O SER A 2 -7.765 42.516 -24.653 1.00 0.00 O ATOM 12 CB SER A 2 -6.911 39.685 -23.262 1.00 0.00 C ATOM 13 OG SER A 2 -5.813 38.857 -22.922 1.00 0.00 O ATOM 0 H SER A 2 -5.185 41.531 -23.729 1.00 0.00 H new ATOM 0 HA SER A 2 -6.654 39.609 -25.395 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.054 40.440 -22.489 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.823 39.089 -23.298 1.00 0.00 H new ATOM 0 HG SER A 2 -5.979 38.434 -22.054 1.00 0.00 H new ATOM 19 N SER A 3 -8.926 40.766 -25.461 1.00 0.00 N ATOM 20 CA SER A 3 -10.100 41.561 -25.800 1.00 0.00 C ATOM 21 C SER A 3 -11.300 41.148 -24.953 1.00 0.00 C ATOM 22 O SER A 3 -11.979 40.167 -25.255 1.00 0.00 O ATOM 23 CB SER A 3 -10.434 41.409 -27.286 1.00 0.00 C ATOM 24 OG SER A 3 -9.516 42.129 -28.091 1.00 0.00 O ATOM 0 H SER A 3 -9.011 39.774 -25.680 1.00 0.00 H new ATOM 0 HA SER A 3 -9.872 42.606 -25.591 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.414 40.354 -27.560 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.446 41.768 -27.473 1.00 0.00 H new ATOM 0 HG SER A 3 -9.750 42.015 -29.036 1.00 0.00 H new ATOM 30 N GLY A 4 -11.555 41.905 -23.890 1.00 0.00 N ATOM 31 CA GLY A 4 -12.672 41.602 -23.015 1.00 0.00 C ATOM 32 C GLY A 4 -13.501 42.828 -22.687 1.00 0.00 C ATOM 33 O GLY A 4 -13.324 43.885 -23.293 1.00 0.00 O ATOM 0 H GLY A 4 -11.008 42.722 -23.620 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.308 40.854 -23.488 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.297 41.163 -22.091 1.00 0.00 H new ATOM 37 N SER A 5 -14.409 42.687 -21.727 1.00 0.00 N ATOM 38 CA SER A 5 -15.273 43.791 -21.324 1.00 0.00 C ATOM 39 C SER A 5 -15.929 43.503 -19.977 1.00 0.00 C ATOM 40 O SER A 5 -15.769 42.420 -19.415 1.00 0.00 O ATOM 41 CB SER A 5 -16.347 44.040 -22.384 1.00 0.00 C ATOM 42 OG SER A 5 -17.028 42.841 -22.712 1.00 0.00 O ATOM 0 H SER A 5 -14.566 41.820 -21.214 1.00 0.00 H new ATOM 0 HA SER A 5 -14.657 44.685 -21.225 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.060 44.778 -22.017 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.888 44.458 -23.280 1.00 0.00 H new ATOM 0 HG SER A 5 -17.710 43.027 -23.390 1.00 0.00 H new ATOM 48 N SER A 6 -16.668 44.482 -19.465 1.00 0.00 N ATOM 49 CA SER A 6 -17.346 44.337 -18.182 1.00 0.00 C ATOM 50 C SER A 6 -17.826 42.903 -17.980 1.00 0.00 C ATOM 51 O SER A 6 -18.723 42.433 -18.678 1.00 0.00 O ATOM 52 CB SER A 6 -18.531 45.301 -18.095 1.00 0.00 C ATOM 53 OG SER A 6 -19.502 45.005 -19.085 1.00 0.00 O ATOM 0 H SER A 6 -16.812 45.384 -19.919 1.00 0.00 H new ATOM 0 HA SER A 6 -16.633 44.577 -17.393 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.984 45.237 -17.106 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.181 46.326 -18.219 1.00 0.00 H new ATOM 0 HG SER A 6 -19.558 44.034 -19.208 1.00 0.00 H new ATOM 59 N GLY A 7 -17.219 42.212 -17.019 1.00 0.00 N ATOM 60 CA GLY A 7 -17.597 40.839 -16.742 1.00 0.00 C ATOM 61 C GLY A 7 -16.598 40.132 -15.847 1.00 0.00 C ATOM 62 O GLY A 7 -15.416 40.477 -15.830 1.00 0.00 O ATOM 0 H GLY A 7 -16.473 42.579 -16.428 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.579 40.824 -16.268 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.688 40.294 -17.681 1.00 0.00 H new ATOM 66 N LEU A 8 -17.073 39.142 -15.100 1.00 0.00 N ATOM 67 CA LEU A 8 -16.213 38.385 -14.196 1.00 0.00 C ATOM 68 C LEU A 8 -16.973 37.221 -13.569 1.00 0.00 C ATOM 69 O LEU A 8 -17.971 37.419 -12.874 1.00 0.00 O ATOM 70 CB LEU A 8 -15.662 39.299 -13.100 1.00 0.00 C ATOM 71 CG LEU A 8 -14.365 38.841 -12.433 1.00 0.00 C ATOM 72 CD1 LEU A 8 -14.651 37.779 -11.383 1.00 0.00 C ATOM 73 CD2 LEU A 8 -13.387 38.314 -13.474 1.00 0.00 C ATOM 0 H LEU A 8 -18.049 38.844 -15.102 1.00 0.00 H new ATOM 0 HA LEU A 8 -15.383 37.982 -14.776 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -15.497 40.288 -13.528 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -16.425 39.409 -12.329 1.00 0.00 H new ATOM 0 HG LEU A 8 -13.911 39.699 -11.938 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -13.716 37.465 -10.919 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -15.314 38.189 -10.622 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -15.128 36.920 -11.855 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -12.469 37.992 -12.981 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -13.833 37.468 -13.997 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -13.157 39.103 -14.190 1.00 0.00 H new ATOM 85 N LYS A 9 -16.494 36.007 -13.816 1.00 0.00 N ATOM 86 CA LYS A 9 -17.125 34.810 -13.273 1.00 0.00 C ATOM 87 C LYS A 9 -16.234 33.588 -13.469 1.00 0.00 C ATOM 88 O LYS A 9 -15.469 33.514 -14.431 1.00 0.00 O ATOM 89 CB LYS A 9 -18.483 34.576 -13.940 1.00 0.00 C ATOM 90 CG LYS A 9 -19.481 33.853 -13.052 1.00 0.00 C ATOM 91 CD LYS A 9 -20.308 34.829 -12.232 1.00 0.00 C ATOM 92 CE LYS A 9 -19.540 35.326 -11.017 1.00 0.00 C ATOM 93 NZ LYS A 9 -20.431 36.012 -10.041 1.00 0.00 N ATOM 0 H LYS A 9 -15.670 35.826 -14.389 1.00 0.00 H new ATOM 0 HA LYS A 9 -17.273 34.962 -12.204 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -18.903 35.537 -14.236 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -18.335 33.998 -14.852 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -20.142 33.243 -13.668 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -18.950 33.174 -12.384 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -20.595 35.677 -12.854 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -21.229 34.345 -11.908 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -19.047 34.485 -10.530 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -18.756 36.012 -11.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -19.870 36.336 -9.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -20.882 36.830 -10.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -21.164 35.350 -9.715 1.00 0.00 H new ATOM 107 N ARG A 10 -16.339 32.631 -12.553 1.00 0.00 N ATOM 108 CA ARG A 10 -15.542 31.412 -12.626 1.00 0.00 C ATOM 109 C ARG A 10 -16.439 30.178 -12.675 1.00 0.00 C ATOM 110 O ARG A 10 -17.663 30.291 -12.744 1.00 0.00 O ATOM 111 CB ARG A 10 -14.598 31.322 -11.426 1.00 0.00 C ATOM 112 CG ARG A 10 -13.308 32.107 -11.606 1.00 0.00 C ATOM 113 CD ARG A 10 -13.548 33.604 -11.498 1.00 0.00 C ATOM 114 NE ARG A 10 -12.307 34.344 -11.285 1.00 0.00 N ATOM 115 CZ ARG A 10 -11.491 34.708 -12.268 1.00 0.00 C ATOM 116 NH1 ARG A 10 -11.784 34.404 -13.524 1.00 0.00 N ATOM 117 NH2 ARG A 10 -10.379 35.380 -11.994 1.00 0.00 N ATOM 0 H ARG A 10 -16.968 32.676 -11.751 1.00 0.00 H new ATOM 0 HA ARG A 10 -14.952 31.448 -13.542 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -15.115 31.688 -10.539 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -14.354 30.275 -11.244 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -12.584 31.798 -10.852 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -12.873 31.876 -12.578 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -14.031 33.960 -12.408 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -14.234 33.803 -10.675 1.00 0.00 H new ATOM 0 HE ARG A 10 -12.053 34.595 -10.330 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -12.638 33.889 -13.738 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.155 34.685 -14.277 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.151 35.617 -11.028 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -9.753 35.659 -12.749 1.00 0.00 H new ATOM 131 N ASP A 11 -15.821 29.003 -12.640 1.00 0.00 N ATOM 132 CA ASP A 11 -16.563 27.748 -12.680 1.00 0.00 C ATOM 133 C ASP A 11 -16.169 26.847 -11.514 1.00 0.00 C ATOM 134 O ASP A 11 -15.267 27.171 -10.741 1.00 0.00 O ATOM 135 CB ASP A 11 -16.314 27.026 -14.005 1.00 0.00 C ATOM 136 CG ASP A 11 -16.543 27.923 -15.205 1.00 0.00 C ATOM 137 OD1 ASP A 11 -17.710 28.059 -15.632 1.00 0.00 O ATOM 138 OD2 ASP A 11 -15.556 28.491 -15.717 1.00 0.00 O ATOM 0 H ASP A 11 -14.809 28.893 -12.584 1.00 0.00 H new ATOM 0 HA ASP A 11 -17.625 27.979 -12.595 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -15.290 26.652 -14.025 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -16.971 26.159 -14.072 1.00 0.00 H new ATOM 143 N PHE A 12 -16.852 25.713 -11.391 1.00 0.00 N ATOM 144 CA PHE A 12 -16.575 24.766 -10.318 1.00 0.00 C ATOM 145 C PHE A 12 -15.978 23.476 -10.872 1.00 0.00 C ATOM 146 O PHE A 12 -16.232 23.104 -12.018 1.00 0.00 O ATOM 147 CB PHE A 12 -17.856 24.455 -9.540 1.00 0.00 C ATOM 148 CG PHE A 12 -18.613 23.275 -10.079 1.00 0.00 C ATOM 149 CD1 PHE A 12 -19.028 23.246 -11.401 1.00 0.00 C ATOM 150 CD2 PHE A 12 -18.911 22.196 -9.263 1.00 0.00 C ATOM 151 CE1 PHE A 12 -19.724 22.161 -11.900 1.00 0.00 C ATOM 152 CE2 PHE A 12 -19.607 21.108 -9.756 1.00 0.00 C ATOM 153 CZ PHE A 12 -20.015 21.092 -11.076 1.00 0.00 C ATOM 0 H PHE A 12 -17.601 25.428 -12.022 1.00 0.00 H new ATOM 0 HA PHE A 12 -15.850 25.221 -9.644 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -17.602 24.268 -8.497 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -18.504 25.331 -9.558 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -18.805 24.081 -12.049 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -18.596 22.205 -8.230 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -20.040 22.149 -12.933 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -19.831 20.272 -9.110 1.00 0.00 H new ATOM 0 HZ PHE A 12 -20.561 20.244 -11.463 1.00 0.00 H new ATOM 163 N ILE A 13 -15.184 22.798 -10.050 1.00 0.00 N ATOM 164 CA ILE A 13 -14.551 21.550 -10.458 1.00 0.00 C ATOM 165 C ILE A 13 -14.705 20.479 -9.383 1.00 0.00 C ATOM 166 O ILE A 13 -13.974 20.471 -8.391 1.00 0.00 O ATOM 167 CB ILE A 13 -13.053 21.749 -10.757 1.00 0.00 C ATOM 168 CG1 ILE A 13 -12.413 22.641 -9.691 1.00 0.00 C ATOM 169 CG2 ILE A 13 -12.865 22.351 -12.141 1.00 0.00 C ATOM 170 CD1 ILE A 13 -10.934 22.386 -9.498 1.00 0.00 C ATOM 0 H ILE A 13 -14.964 23.092 -9.098 1.00 0.00 H new ATOM 0 HA ILE A 13 -15.054 21.224 -11.368 1.00 0.00 H new ATOM 0 HB ILE A 13 -12.560 20.777 -10.735 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -12.560 23.685 -9.966 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -12.927 22.486 -8.742 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -11.801 22.486 -12.338 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -13.291 21.683 -12.889 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -13.368 23.317 -12.189 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -10.547 23.053 -8.728 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -10.780 21.351 -9.192 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -10.408 22.569 -10.435 1.00 0.00 H new ATOM 182 N ILE A 14 -15.658 19.577 -9.587 1.00 0.00 N ATOM 183 CA ILE A 14 -15.906 18.499 -8.636 1.00 0.00 C ATOM 184 C ILE A 14 -16.406 17.245 -9.345 1.00 0.00 C ATOM 185 O ILE A 14 -17.503 17.231 -9.905 1.00 0.00 O ATOM 186 CB ILE A 14 -16.934 18.916 -7.568 1.00 0.00 C ATOM 187 CG1 ILE A 14 -16.367 20.038 -6.694 1.00 0.00 C ATOM 188 CG2 ILE A 14 -17.326 17.720 -6.715 1.00 0.00 C ATOM 189 CD1 ILE A 14 -16.504 21.412 -7.311 1.00 0.00 C ATOM 0 H ILE A 14 -16.272 19.570 -10.402 1.00 0.00 H new ATOM 0 HA ILE A 14 -14.955 18.283 -8.148 1.00 0.00 H new ATOM 0 HB ILE A 14 -17.827 19.288 -8.070 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -16.876 20.029 -5.730 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -15.313 19.839 -6.500 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -18.053 18.031 -5.965 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -17.765 16.949 -7.349 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -16.441 17.321 -6.219 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -16.081 22.157 -6.637 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -15.971 21.439 -8.262 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -17.558 21.632 -7.480 1.00 0.00 H new ATOM 201 N LEU A 15 -15.596 16.193 -9.315 1.00 0.00 N ATOM 202 CA LEU A 15 -15.957 14.931 -9.953 1.00 0.00 C ATOM 203 C LEU A 15 -15.967 13.792 -8.939 1.00 0.00 C ATOM 204 O LEU A 15 -15.494 13.944 -7.814 1.00 0.00 O ATOM 205 CB LEU A 15 -14.980 14.613 -11.086 1.00 0.00 C ATOM 206 CG LEU A 15 -14.941 15.615 -12.241 1.00 0.00 C ATOM 207 CD1 LEU A 15 -14.126 16.840 -11.857 1.00 0.00 C ATOM 208 CD2 LEU A 15 -14.372 14.964 -13.493 1.00 0.00 C ATOM 0 H LEU A 15 -14.685 16.188 -8.856 1.00 0.00 H new ATOM 0 HA LEU A 15 -16.961 15.034 -10.365 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -13.978 14.537 -10.664 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -15.231 13.632 -11.491 1.00 0.00 H new ATOM 0 HG LEU A 15 -15.961 15.935 -12.454 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -14.109 17.542 -12.691 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -14.577 17.319 -10.988 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -13.107 16.538 -11.616 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -14.352 15.692 -14.304 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -13.359 14.615 -13.293 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -14.997 14.118 -13.780 1.00 0.00 H new ATOM 220 N GLY A 16 -16.508 12.648 -9.348 1.00 0.00 N ATOM 221 CA GLY A 16 -16.568 11.498 -8.464 1.00 0.00 C ATOM 222 C GLY A 16 -15.973 10.253 -9.091 1.00 0.00 C ATOM 223 O GLY A 16 -14.799 9.948 -8.887 1.00 0.00 O ATOM 0 H GLY A 16 -16.906 12.497 -10.275 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -16.036 11.726 -7.540 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -17.606 11.305 -8.194 1.00 0.00 H new ATOM 227 N ASN A 17 -16.785 9.532 -9.857 1.00 0.00 N ATOM 228 CA ASN A 17 -16.333 8.311 -10.514 1.00 0.00 C ATOM 229 C ASN A 17 -15.907 7.266 -9.488 1.00 0.00 C ATOM 230 O ASN A 17 -14.915 6.563 -9.677 1.00 0.00 O ATOM 231 CB ASN A 17 -15.169 8.618 -11.460 1.00 0.00 C ATOM 232 CG ASN A 17 -15.638 9.149 -12.800 1.00 0.00 C ATOM 233 OD1 ASN A 17 -15.471 10.330 -13.105 1.00 0.00 O ATOM 234 ND2 ASN A 17 -16.230 8.277 -13.608 1.00 0.00 N ATOM 0 H ASN A 17 -17.760 9.772 -10.038 1.00 0.00 H new ATOM 0 HA ASN A 17 -17.166 7.909 -11.091 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -14.508 9.349 -10.994 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -14.583 7.712 -11.616 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -16.567 8.577 -14.523 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -16.347 7.307 -13.314 1.00 0.00 H new ATOM 241 N GLY A 18 -16.665 7.170 -8.399 1.00 0.00 N ATOM 242 CA GLY A 18 -16.350 6.208 -7.359 1.00 0.00 C ATOM 243 C GLY A 18 -17.268 5.003 -7.387 1.00 0.00 C ATOM 244 O GLY A 18 -18.464 5.100 -7.111 1.00 0.00 O ATOM 0 H GLY A 18 -17.491 7.741 -8.219 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -15.318 5.877 -7.475 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -16.422 6.693 -6.386 1.00 0.00 H new ATOM 248 N PRO A 19 -16.707 3.834 -7.730 1.00 0.00 N ATOM 249 CA PRO A 19 -17.466 2.582 -7.803 1.00 0.00 C ATOM 250 C PRO A 19 -17.895 2.084 -6.427 1.00 0.00 C ATOM 251 O PRO A 19 -17.103 2.073 -5.485 1.00 0.00 O ATOM 252 CB PRO A 19 -16.476 1.604 -8.441 1.00 0.00 C ATOM 253 CG PRO A 19 -15.132 2.149 -8.101 1.00 0.00 C ATOM 254 CD PRO A 19 -15.287 3.645 -8.073 1.00 0.00 C ATOM 0 HA PRO A 19 -18.393 2.699 -8.365 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -16.606 0.596 -8.047 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -16.618 1.545 -9.520 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.791 1.774 -7.136 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -14.390 1.847 -8.840 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.630 4.103 -7.333 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.043 4.092 -9.037 1.00 0.00 H new ATOM 262 N ARG A 20 -19.154 1.671 -6.319 1.00 0.00 N ATOM 263 CA ARG A 20 -19.689 1.173 -5.058 1.00 0.00 C ATOM 264 C ARG A 20 -19.415 -0.321 -4.904 1.00 0.00 C ATOM 265 O ARG A 20 -20.279 -1.079 -4.463 1.00 0.00 O ATOM 266 CB ARG A 20 -21.193 1.437 -4.977 1.00 0.00 C ATOM 267 CG ARG A 20 -21.547 2.910 -4.854 1.00 0.00 C ATOM 268 CD ARG A 20 -21.749 3.550 -6.218 1.00 0.00 C ATOM 269 NE ARG A 20 -21.490 4.987 -6.192 1.00 0.00 N ATOM 270 CZ ARG A 20 -22.020 5.846 -7.056 1.00 0.00 C ATOM 271 NH1 ARG A 20 -22.834 5.415 -8.009 1.00 0.00 N ATOM 272 NH2 ARG A 20 -21.736 7.139 -6.967 1.00 0.00 N ATOM 0 H ARG A 20 -19.822 1.672 -7.090 1.00 0.00 H new ATOM 0 HA ARG A 20 -19.190 1.703 -4.246 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -21.673 1.030 -5.867 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -21.602 0.901 -4.120 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -22.456 3.019 -4.262 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -20.754 3.433 -4.320 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -21.087 3.075 -6.943 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -22.770 3.372 -6.554 1.00 0.00 H new ATOM 0 HE ARG A 20 -20.868 5.351 -5.471 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -23.055 4.422 -8.080 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -23.240 6.077 -8.671 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -21.110 7.474 -6.235 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -22.143 7.798 -7.631 1.00 0.00 H new ATOM 286 N LEU A 21 -18.207 -0.736 -5.270 1.00 0.00 N ATOM 287 CA LEU A 21 -17.819 -2.139 -5.174 1.00 0.00 C ATOM 288 C LEU A 21 -16.671 -2.319 -4.186 1.00 0.00 C ATOM 289 O LEU A 21 -15.509 -2.092 -4.523 1.00 0.00 O ATOM 290 CB LEU A 21 -17.412 -2.672 -6.549 1.00 0.00 C ATOM 291 CG LEU A 21 -18.352 -2.331 -7.705 1.00 0.00 C ATOM 292 CD1 LEU A 21 -17.613 -2.402 -9.033 1.00 0.00 C ATOM 293 CD2 LEU A 21 -19.552 -3.267 -7.710 1.00 0.00 C ATOM 0 H LEU A 21 -17.480 -0.121 -5.636 1.00 0.00 H new ATOM 0 HA LEU A 21 -18.678 -2.704 -4.812 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -16.421 -2.287 -6.787 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -17.325 -3.757 -6.485 1.00 0.00 H new ATOM 0 HG LEU A 21 -18.712 -1.311 -7.567 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -18.298 -2.156 -9.844 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -16.787 -1.691 -9.028 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -17.224 -3.410 -9.179 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -20.211 -3.010 -8.540 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -19.210 -4.296 -7.823 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -20.096 -3.167 -6.771 1.00 0.00 H new ATOM 305 N GLN A 22 -17.005 -2.729 -2.967 1.00 0.00 N ATOM 306 CA GLN A 22 -16.001 -2.941 -1.931 1.00 0.00 C ATOM 307 C GLN A 22 -15.799 -4.429 -1.665 1.00 0.00 C ATOM 308 O GLN A 22 -16.425 -5.001 -0.774 1.00 0.00 O ATOM 309 CB GLN A 22 -16.412 -2.232 -0.639 1.00 0.00 C ATOM 310 CG GLN A 22 -15.491 -2.522 0.534 1.00 0.00 C ATOM 311 CD GLN A 22 -14.111 -1.918 0.357 1.00 0.00 C ATOM 312 OE1 GLN A 22 -13.910 -0.725 0.585 1.00 0.00 O ATOM 313 NE2 GLN A 22 -13.153 -2.740 -0.052 1.00 0.00 N ATOM 0 H GLN A 22 -17.962 -2.921 -2.672 1.00 0.00 H new ATOM 0 HA GLN A 22 -15.059 -2.522 -2.283 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -16.434 -1.157 -0.816 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -17.426 -2.532 -0.377 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -15.939 -2.132 1.448 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -15.398 -3.601 0.660 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -13.365 -3.722 -0.229 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -12.205 -2.390 -0.189 1.00 0.00 H new ATOM 322 N ASN A 23 -14.919 -5.051 -2.444 1.00 0.00 N ATOM 323 CA ASN A 23 -14.636 -6.473 -2.293 1.00 0.00 C ATOM 324 C ASN A 23 -14.243 -6.800 -0.856 1.00 0.00 C ATOM 325 O ASN A 23 -14.102 -5.906 -0.022 1.00 0.00 O ATOM 326 CB ASN A 23 -13.516 -6.895 -3.248 1.00 0.00 C ATOM 327 CG ASN A 23 -13.742 -6.394 -4.661 1.00 0.00 C ATOM 328 OD1 ASN A 23 -13.168 -5.386 -5.073 1.00 0.00 O ATOM 329 ND2 ASN A 23 -14.582 -7.098 -5.411 1.00 0.00 N ATOM 0 H ASN A 23 -14.390 -4.592 -3.186 1.00 0.00 H new ATOM 0 HA ASN A 23 -15.542 -7.027 -2.538 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.564 -6.514 -2.878 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.442 -7.982 -3.258 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -14.774 -6.809 -6.370 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -15.035 -7.927 -5.028 1.00 0.00 H new ATOM 336 N SER A 24 -14.069 -8.087 -0.574 1.00 0.00 N ATOM 337 CA SER A 24 -13.696 -8.533 0.763 1.00 0.00 C ATOM 338 C SER A 24 -12.196 -8.370 0.992 1.00 0.00 C ATOM 339 O SER A 24 -11.756 -8.042 2.094 1.00 0.00 O ATOM 340 CB SER A 24 -14.098 -9.995 0.967 1.00 0.00 C ATOM 341 OG SER A 24 -13.707 -10.458 2.248 1.00 0.00 O ATOM 0 H SER A 24 -14.180 -8.839 -1.254 1.00 0.00 H new ATOM 0 HA SER A 24 -14.226 -7.913 1.486 1.00 0.00 H new ATOM 0 HB2 SER A 24 -15.177 -10.098 0.854 1.00 0.00 H new ATOM 0 HB3 SER A 24 -13.636 -10.613 0.197 1.00 0.00 H new ATOM 0 HG SER A 24 -13.977 -11.394 2.354 1.00 0.00 H new ATOM 347 N THR A 25 -11.415 -8.602 -0.058 1.00 0.00 N ATOM 348 CA THR A 25 -9.965 -8.483 0.026 1.00 0.00 C ATOM 349 C THR A 25 -9.560 -7.365 0.981 1.00 0.00 C ATOM 350 O THR A 25 -10.074 -6.249 0.899 1.00 0.00 O ATOM 351 CB THR A 25 -9.342 -8.212 -1.356 1.00 0.00 C ATOM 352 OG1 THR A 25 -9.854 -6.987 -1.893 1.00 0.00 O ATOM 353 CG2 THR A 25 -9.637 -9.355 -2.316 1.00 0.00 C ATOM 0 H THR A 25 -11.763 -8.874 -0.978 1.00 0.00 H new ATOM 0 HA THR A 25 -9.591 -9.435 0.404 1.00 0.00 H new ATOM 0 HB THR A 25 -8.262 -8.131 -1.233 1.00 0.00 H new ATOM 0 HG1 THR A 25 -10.156 -6.410 -1.161 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.187 -9.141 -3.285 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.220 -10.281 -1.919 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.715 -9.463 -2.432 1.00 0.00 H new ATOM 361 N TYR A 26 -8.637 -7.672 1.885 1.00 0.00 N ATOM 362 CA TYR A 26 -8.164 -6.693 2.857 1.00 0.00 C ATOM 363 C TYR A 26 -7.033 -5.850 2.276 1.00 0.00 C ATOM 364 O TYR A 26 -5.964 -6.366 1.952 1.00 0.00 O ATOM 365 CB TYR A 26 -7.689 -7.396 4.130 1.00 0.00 C ATOM 366 CG TYR A 26 -8.816 -7.823 5.043 1.00 0.00 C ATOM 367 CD1 TYR A 26 -9.919 -8.506 4.544 1.00 0.00 C ATOM 368 CD2 TYR A 26 -8.779 -7.544 6.403 1.00 0.00 C ATOM 369 CE1 TYR A 26 -10.951 -8.897 5.374 1.00 0.00 C ATOM 370 CE2 TYR A 26 -9.806 -7.933 7.241 1.00 0.00 C ATOM 371 CZ TYR A 26 -10.890 -8.609 6.722 1.00 0.00 C ATOM 372 OH TYR A 26 -11.916 -8.997 7.552 1.00 0.00 O ATOM 0 H TYR A 26 -8.201 -8.591 1.965 1.00 0.00 H new ATOM 0 HA TYR A 26 -8.995 -6.032 3.103 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.104 -8.273 3.854 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -7.023 -6.728 4.677 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -9.970 -8.735 3.490 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -7.932 -7.013 6.813 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -11.802 -9.426 4.970 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.760 -7.709 8.297 1.00 0.00 H new ATOM 0 HH TYR A 26 -12.330 -9.813 7.201 1.00 0.00 H new ATOM 382 N GLN A 27 -7.279 -4.550 2.147 1.00 0.00 N ATOM 383 CA GLN A 27 -6.282 -3.635 1.605 1.00 0.00 C ATOM 384 C GLN A 27 -5.386 -3.088 2.712 1.00 0.00 C ATOM 385 O GLN A 27 -5.823 -2.290 3.542 1.00 0.00 O ATOM 386 CB GLN A 27 -6.965 -2.481 0.869 1.00 0.00 C ATOM 387 CG GLN A 27 -7.184 -2.748 -0.611 1.00 0.00 C ATOM 388 CD GLN A 27 -6.058 -2.210 -1.473 1.00 0.00 C ATOM 389 OE1 GLN A 27 -6.289 -1.438 -2.404 1.00 0.00 O ATOM 390 NE2 GLN A 27 -4.832 -2.617 -1.167 1.00 0.00 N ATOM 0 H GLN A 27 -8.159 -4.107 2.410 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.661 -4.189 0.901 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.927 -2.280 1.340 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -6.361 -1.581 0.982 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.279 -3.822 -0.773 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.124 -2.294 -0.923 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.687 -3.258 -0.387 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -4.035 -2.289 -1.712 1.00 0.00 H new ATOM 399 N CYS A 28 -4.131 -3.523 2.718 1.00 0.00 N ATOM 400 CA CYS A 28 -3.172 -3.078 3.723 1.00 0.00 C ATOM 401 C CYS A 28 -2.938 -1.573 3.623 1.00 0.00 C ATOM 402 O CYS A 28 -3.240 -0.953 2.603 1.00 0.00 O ATOM 403 CB CYS A 28 -1.847 -3.824 3.559 1.00 0.00 C ATOM 404 SG CYS A 28 -0.769 -3.756 5.026 1.00 0.00 S ATOM 0 H CYS A 28 -3.754 -4.183 2.038 1.00 0.00 H new ATOM 0 HA CYS A 28 -3.586 -3.299 4.707 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -2.057 -4.867 3.323 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.310 -3.406 2.707 1.00 0.00 H new ATOM 409 N LYS A 29 -2.397 -0.992 4.688 1.00 0.00 N ATOM 410 CA LYS A 29 -2.120 0.439 4.722 1.00 0.00 C ATOM 411 C LYS A 29 -0.622 0.700 4.845 1.00 0.00 C ATOM 412 O LYS A 29 -0.181 1.850 4.860 1.00 0.00 O ATOM 413 CB LYS A 29 -2.860 1.095 5.889 1.00 0.00 C ATOM 414 CG LYS A 29 -3.081 0.165 7.070 1.00 0.00 C ATOM 415 CD LYS A 29 -3.103 0.928 8.384 1.00 0.00 C ATOM 416 CE LYS A 29 -3.990 0.241 9.412 1.00 0.00 C ATOM 417 NZ LYS A 29 -3.231 -0.747 10.227 1.00 0.00 N ATOM 0 H LYS A 29 -2.141 -1.491 5.540 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.472 0.874 3.787 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.295 1.965 6.223 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.826 1.458 5.538 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.023 -0.369 6.943 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.290 -0.585 7.097 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.089 1.012 8.775 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -3.463 1.942 8.211 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.432 0.990 10.069 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.812 -0.263 8.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.870 -1.193 10.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.830 -1.476 9.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.462 -0.262 10.732 1.00 0.00 H new ATOM 431 N HIS A 30 0.157 -0.374 4.931 1.00 0.00 N ATOM 432 CA HIS A 30 1.606 -0.261 5.050 1.00 0.00 C ATOM 433 C HIS A 30 2.281 -0.477 3.699 1.00 0.00 C ATOM 434 O HIS A 30 3.269 0.182 3.375 1.00 0.00 O ATOM 435 CB HIS A 30 2.136 -1.273 6.066 1.00 0.00 C ATOM 436 CG HIS A 30 1.895 -0.875 7.490 1.00 0.00 C ATOM 437 ND1 HIS A 30 0.641 -0.860 8.065 1.00 0.00 N ATOM 438 CD2 HIS A 30 2.755 -0.478 8.456 1.00 0.00 C ATOM 439 CE1 HIS A 30 0.741 -0.469 9.323 1.00 0.00 C ATOM 440 NE2 HIS A 30 2.014 -0.232 9.586 1.00 0.00 N ATOM 0 H HIS A 30 -0.191 -1.333 4.920 1.00 0.00 H new ATOM 0 HA HIS A 30 1.840 0.746 5.396 1.00 0.00 H new ATOM 0 HB2 HIS A 30 1.666 -2.239 5.883 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.207 -1.405 5.910 1.00 0.00 H new ATOM 0 HD2 HIS A 30 3.825 -0.374 8.357 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -0.078 -0.361 10.018 1.00 0.00 H new ATOM 0 HE2 HIS A 30 2.386 0.082 10.482 1.00 0.00 H new ATOM 448 N CYS A 31 1.742 -1.405 2.916 1.00 0.00 N ATOM 449 CA CYS A 31 2.292 -1.709 1.600 1.00 0.00 C ATOM 450 C CYS A 31 1.207 -1.642 0.529 1.00 0.00 C ATOM 451 O CYS A 31 1.495 -1.722 -0.666 1.00 0.00 O ATOM 452 CB CYS A 31 2.937 -3.097 1.603 1.00 0.00 C ATOM 453 SG CYS A 31 1.795 -4.447 2.041 1.00 0.00 S ATOM 0 H CYS A 31 0.925 -1.960 3.170 1.00 0.00 H new ATOM 0 HA CYS A 31 3.052 -0.963 1.369 1.00 0.00 H new ATOM 0 HB2 CYS A 31 3.354 -3.294 0.615 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.770 -3.097 2.306 1.00 0.00 H new ATOM 458 N ASP A 32 -0.039 -1.495 0.964 1.00 0.00 N ATOM 459 CA ASP A 32 -1.167 -1.416 0.043 1.00 0.00 C ATOM 460 C ASP A 32 -1.343 -2.729 -0.714 1.00 0.00 C ATOM 461 O ASP A 32 -1.661 -2.733 -1.903 1.00 0.00 O ATOM 462 CB ASP A 32 -0.966 -0.266 -0.945 1.00 0.00 C ATOM 463 CG ASP A 32 -1.585 1.029 -0.458 1.00 0.00 C ATOM 464 OD1 ASP A 32 -1.369 1.384 0.719 1.00 0.00 O ATOM 465 OD2 ASP A 32 -2.286 1.688 -1.255 1.00 0.00 O ATOM 0 H ASP A 32 -0.294 -1.428 1.949 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.069 -1.230 0.626 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.101 -0.116 -1.111 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.403 -0.536 -1.906 1.00 0.00 H new ATOM 470 N SER A 33 -1.132 -3.841 -0.018 1.00 0.00 N ATOM 471 CA SER A 33 -1.263 -5.160 -0.626 1.00 0.00 C ATOM 472 C SER A 33 -2.705 -5.653 -0.550 1.00 0.00 C ATOM 473 O SER A 33 -3.599 -4.928 -0.114 1.00 0.00 O ATOM 474 CB SER A 33 -0.334 -6.159 0.068 1.00 0.00 C ATOM 475 OG SER A 33 0.936 -6.196 -0.561 1.00 0.00 O ATOM 0 H SER A 33 -0.870 -3.855 0.968 1.00 0.00 H new ATOM 0 HA SER A 33 -0.980 -5.079 -1.675 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.216 -5.884 1.116 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.783 -7.152 0.048 1.00 0.00 H new ATOM 0 HG SER A 33 1.586 -5.705 -0.016 1.00 0.00 H new ATOM 481 N LYS A 34 -2.923 -6.891 -0.979 1.00 0.00 N ATOM 482 CA LYS A 34 -4.255 -7.484 -0.960 1.00 0.00 C ATOM 483 C LYS A 34 -4.234 -8.848 -0.277 1.00 0.00 C ATOM 484 O LYS A 34 -3.431 -9.715 -0.624 1.00 0.00 O ATOM 485 CB LYS A 34 -4.794 -7.624 -2.385 1.00 0.00 C ATOM 486 CG LYS A 34 -5.560 -6.405 -2.868 1.00 0.00 C ATOM 487 CD LYS A 34 -6.422 -6.731 -4.077 1.00 0.00 C ATOM 488 CE LYS A 34 -7.426 -5.624 -4.359 1.00 0.00 C ATOM 489 NZ LYS A 34 -7.943 -5.687 -5.755 1.00 0.00 N ATOM 0 H LYS A 34 -2.194 -7.504 -1.344 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.911 -6.823 -0.393 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.961 -7.811 -3.063 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.447 -8.496 -2.434 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.190 -6.027 -2.062 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.858 -5.611 -3.124 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.786 -6.878 -4.950 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.951 -7.669 -3.906 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.258 -5.702 -3.660 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.956 -4.655 -4.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.624 -4.916 -5.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.152 -5.588 -6.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.414 -6.601 -5.910 1.00 0.00 H new ATOM 503 N LEU A 35 -5.121 -9.032 0.694 1.00 0.00 N ATOM 504 CA LEU A 35 -5.206 -10.292 1.425 1.00 0.00 C ATOM 505 C LEU A 35 -6.624 -10.851 1.385 1.00 0.00 C ATOM 506 O LEU A 35 -7.581 -10.122 1.124 1.00 0.00 O ATOM 507 CB LEU A 35 -4.764 -10.093 2.876 1.00 0.00 C ATOM 508 CG LEU A 35 -3.256 -10.012 3.114 1.00 0.00 C ATOM 509 CD1 LEU A 35 -2.628 -8.966 2.206 1.00 0.00 C ATOM 510 CD2 LEU A 35 -2.963 -9.699 4.575 1.00 0.00 C ATOM 0 H LEU A 35 -5.792 -8.325 0.994 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.540 -11.008 0.944 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.220 -9.177 3.251 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.162 -10.915 3.472 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.817 -10.981 2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.554 -8.922 2.389 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.808 -9.233 1.165 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.071 -7.992 2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.885 -9.645 4.726 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.415 -8.743 4.840 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.379 -10.484 5.206 1.00 0.00 H new ATOM 522 N GLN A 36 -6.751 -12.148 1.647 1.00 0.00 N ATOM 523 CA GLN A 36 -8.054 -12.804 1.642 1.00 0.00 C ATOM 524 C GLN A 36 -8.955 -12.232 2.731 1.00 0.00 C ATOM 525 O GLN A 36 -10.011 -11.667 2.444 1.00 0.00 O ATOM 526 CB GLN A 36 -7.890 -14.312 1.839 1.00 0.00 C ATOM 527 CG GLN A 36 -7.613 -15.067 0.549 1.00 0.00 C ATOM 528 CD GLN A 36 -6.841 -16.352 0.779 1.00 0.00 C ATOM 529 OE1 GLN A 36 -5.631 -16.421 0.236 1.00 0.00 O flip ATOM 530 NE2 GLN A 36 -7.327 -17.272 1.438 1.00 0.00 N flip ATOM 0 H GLN A 36 -5.969 -12.765 1.865 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.522 -12.620 0.675 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.073 -14.492 2.538 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.795 -14.711 2.297 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.558 -15.298 0.058 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.050 -14.426 -0.129 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.261 -17.176 1.837 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.796 -18.130 1.585 1.00 0.00 H new ATOM 539 N SER A 37 -8.532 -12.382 3.982 1.00 0.00 N ATOM 540 CA SER A 37 -9.303 -11.884 5.115 1.00 0.00 C ATOM 541 C SER A 37 -8.382 -11.348 6.206 1.00 0.00 C ATOM 542 O SER A 37 -7.157 -11.415 6.091 1.00 0.00 O ATOM 543 CB SER A 37 -10.192 -12.993 5.681 1.00 0.00 C ATOM 544 OG SER A 37 -9.440 -14.165 5.945 1.00 0.00 O ATOM 0 H SER A 37 -7.659 -12.845 4.237 1.00 0.00 H new ATOM 0 HA SER A 37 -9.933 -11.067 4.763 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.669 -12.649 6.599 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.990 -13.221 4.974 1.00 0.00 H new ATOM 0 HG SER A 37 -10.031 -14.858 6.307 1.00 0.00 H new ATOM 550 N THR A 38 -8.979 -10.815 7.268 1.00 0.00 N ATOM 551 CA THR A 38 -8.214 -10.267 8.380 1.00 0.00 C ATOM 552 C THR A 38 -7.207 -11.282 8.909 1.00 0.00 C ATOM 553 O THR A 38 -6.071 -10.935 9.230 1.00 0.00 O ATOM 554 CB THR A 38 -9.136 -9.826 9.533 1.00 0.00 C ATOM 555 OG1 THR A 38 -8.551 -8.723 10.234 1.00 0.00 O ATOM 556 CG2 THR A 38 -9.380 -10.975 10.500 1.00 0.00 C ATOM 0 H THR A 38 -9.991 -10.752 7.381 1.00 0.00 H new ATOM 0 HA THR A 38 -7.681 -9.397 7.998 1.00 0.00 H new ATOM 0 HB THR A 38 -10.092 -9.520 9.108 1.00 0.00 H new ATOM 0 HG1 THR A 38 -9.144 -8.448 10.964 1.00 0.00 H new ATOM 0 HG21 THR A 38 -10.033 -10.640 11.306 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.852 -11.802 9.970 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.430 -11.307 10.918 1.00 0.00 H new ATOM 564 N ALA A 39 -7.632 -12.538 8.997 1.00 0.00 N ATOM 565 CA ALA A 39 -6.766 -13.605 9.485 1.00 0.00 C ATOM 566 C ALA A 39 -5.396 -13.547 8.820 1.00 0.00 C ATOM 567 O ALA A 39 -4.372 -13.760 9.468 1.00 0.00 O ATOM 568 CB ALA A 39 -7.414 -14.961 9.246 1.00 0.00 C ATOM 0 H ALA A 39 -8.570 -12.842 8.737 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.627 -13.465 10.557 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.757 -15.748 9.615 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.367 -15.007 9.773 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.583 -15.100 8.178 1.00 0.00 H new ATOM 574 N GLU A 40 -5.384 -13.257 7.522 1.00 0.00 N ATOM 575 CA GLU A 40 -4.138 -13.173 6.770 1.00 0.00 C ATOM 576 C GLU A 40 -3.375 -11.899 7.122 1.00 0.00 C ATOM 577 O GLU A 40 -2.144 -11.894 7.174 1.00 0.00 O ATOM 578 CB GLU A 40 -4.420 -13.212 5.266 1.00 0.00 C ATOM 579 CG GLU A 40 -4.593 -14.618 4.716 1.00 0.00 C ATOM 580 CD GLU A 40 -4.162 -14.734 3.267 1.00 0.00 C ATOM 581 OE1 GLU A 40 -3.300 -13.937 2.839 1.00 0.00 O ATOM 582 OE2 GLU A 40 -4.685 -15.621 2.560 1.00 0.00 O ATOM 0 H GLU A 40 -6.223 -13.077 6.970 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.523 -14.031 7.040 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.322 -12.636 5.059 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.601 -12.723 4.738 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.013 -15.315 5.321 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.639 -14.913 4.805 1.00 0.00 H new ATOM 589 N LEU A 41 -4.113 -10.822 7.362 1.00 0.00 N ATOM 590 CA LEU A 41 -3.508 -9.541 7.709 1.00 0.00 C ATOM 591 C LEU A 41 -2.769 -9.631 9.041 1.00 0.00 C ATOM 592 O LEU A 41 -1.665 -9.105 9.188 1.00 0.00 O ATOM 593 CB LEU A 41 -4.578 -8.450 7.780 1.00 0.00 C ATOM 594 CG LEU A 41 -4.075 -7.009 7.687 1.00 0.00 C ATOM 595 CD1 LEU A 41 -3.322 -6.790 6.385 1.00 0.00 C ATOM 596 CD2 LEU A 41 -5.235 -6.031 7.806 1.00 0.00 C ATOM 0 H LEU A 41 -5.132 -10.810 7.323 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.789 -9.285 6.931 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.292 -8.617 6.974 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.123 -8.564 8.717 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.388 -6.830 8.514 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.972 -5.759 6.336 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.468 -7.466 6.340 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.986 -6.988 5.543 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.859 -5.010 7.738 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.946 -6.210 7.000 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.732 -6.171 8.766 1.00 0.00 H new ATOM 608 N THR A 42 -3.384 -10.303 10.009 1.00 0.00 N ATOM 609 CA THR A 42 -2.785 -10.463 11.328 1.00 0.00 C ATOM 610 C THR A 42 -1.356 -10.983 11.223 1.00 0.00 C ATOM 611 O THR A 42 -0.485 -10.594 12.001 1.00 0.00 O ATOM 612 CB THR A 42 -3.607 -11.426 12.205 1.00 0.00 C ATOM 613 OG1 THR A 42 -4.991 -11.063 12.167 1.00 0.00 O ATOM 614 CG2 THR A 42 -3.111 -11.405 13.643 1.00 0.00 C ATOM 0 H THR A 42 -4.297 -10.745 9.904 1.00 0.00 H new ATOM 0 HA THR A 42 -2.777 -9.477 11.793 1.00 0.00 H new ATOM 0 HB THR A 42 -3.486 -12.435 11.810 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.507 -11.681 12.726 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.707 -12.093 14.243 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.065 -11.711 13.672 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.205 -10.397 14.046 1.00 0.00 H new ATOM 622 N SER A 43 -1.121 -11.865 10.256 1.00 0.00 N ATOM 623 CA SER A 43 0.203 -12.441 10.052 1.00 0.00 C ATOM 624 C SER A 43 1.035 -11.570 9.116 1.00 0.00 C ATOM 625 O SER A 43 2.212 -11.311 9.373 1.00 0.00 O ATOM 626 CB SER A 43 0.084 -13.855 9.480 1.00 0.00 C ATOM 627 OG SER A 43 -0.483 -14.742 10.427 1.00 0.00 O ATOM 0 H SER A 43 -1.830 -12.196 9.602 1.00 0.00 H new ATOM 0 HA SER A 43 0.705 -12.489 11.018 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.532 -13.836 8.581 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.069 -14.215 9.184 1.00 0.00 H new ATOM 0 HG SER A 43 -0.550 -15.638 10.037 1.00 0.00 H new ATOM 633 N HIS A 44 0.417 -11.120 8.029 1.00 0.00 N ATOM 634 CA HIS A 44 1.100 -10.277 7.055 1.00 0.00 C ATOM 635 C HIS A 44 1.759 -9.082 7.737 1.00 0.00 C ATOM 636 O HIS A 44 2.910 -8.748 7.451 1.00 0.00 O ATOM 637 CB HIS A 44 0.115 -9.791 5.990 1.00 0.00 C ATOM 638 CG HIS A 44 0.673 -8.721 5.102 1.00 0.00 C ATOM 639 ND1 HIS A 44 1.542 -8.981 4.064 1.00 0.00 N ATOM 640 CD2 HIS A 44 0.478 -7.382 5.102 1.00 0.00 C ATOM 641 CE1 HIS A 44 1.860 -7.848 3.464 1.00 0.00 C ATOM 642 NE2 HIS A 44 1.227 -6.862 4.074 1.00 0.00 N ATOM 0 H HIS A 44 -0.556 -11.325 7.801 1.00 0.00 H new ATOM 0 HA HIS A 44 1.877 -10.874 6.577 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.191 -10.638 5.376 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.782 -9.413 6.481 1.00 0.00 H new ATOM 0 HD1 HIS A 44 1.886 -9.904 3.800 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -0.149 -6.826 5.783 1.00 0.00 H new ATOM 0 HE1 HIS A 44 2.524 -7.745 2.619 1.00 0.00 H new ATOM 650 N LEU A 45 1.023 -8.442 8.639 1.00 0.00 N ATOM 651 CA LEU A 45 1.536 -7.283 9.362 1.00 0.00 C ATOM 652 C LEU A 45 2.820 -7.632 10.109 1.00 0.00 C ATOM 653 O LEU A 45 3.834 -6.949 9.972 1.00 0.00 O ATOM 654 CB LEU A 45 0.485 -6.764 10.345 1.00 0.00 C ATOM 655 CG LEU A 45 -0.558 -5.807 9.768 1.00 0.00 C ATOM 656 CD1 LEU A 45 -1.631 -5.502 10.802 1.00 0.00 C ATOM 657 CD2 LEU A 45 0.103 -4.523 9.289 1.00 0.00 C ATOM 0 H LEU A 45 0.069 -8.706 8.887 1.00 0.00 H new ATOM 0 HA LEU A 45 1.761 -6.502 8.635 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.035 -7.620 10.775 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.999 -6.259 11.163 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.032 -6.289 8.913 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.365 -4.819 10.374 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.125 -6.428 11.097 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.173 -5.040 11.677 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.655 -3.854 8.881 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.604 -4.037 10.127 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.834 -4.757 8.515 1.00 0.00 H new ATOM 669 N ASN A 46 2.768 -8.700 10.897 1.00 0.00 N ATOM 670 CA ASN A 46 3.927 -9.141 11.665 1.00 0.00 C ATOM 671 C ASN A 46 5.208 -8.986 10.852 1.00 0.00 C ATOM 672 O ASN A 46 6.235 -8.546 11.370 1.00 0.00 O ATOM 673 CB ASN A 46 3.755 -10.599 12.095 1.00 0.00 C ATOM 674 CG ASN A 46 2.955 -10.734 13.376 1.00 0.00 C ATOM 675 OD1 ASN A 46 3.176 -10.000 14.339 1.00 0.00 O ATOM 676 ND2 ASN A 46 2.018 -11.675 13.391 1.00 0.00 N ATOM 0 H ASN A 46 1.936 -9.277 11.021 1.00 0.00 H new ATOM 0 HA ASN A 46 4.004 -8.514 12.554 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.257 -11.153 11.299 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.737 -11.052 12.234 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.446 -11.812 14.225 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.870 -12.260 12.569 1.00 0.00 H new ATOM 683 N ILE A 47 5.141 -9.351 9.576 1.00 0.00 N ATOM 684 CA ILE A 47 6.294 -9.251 8.691 1.00 0.00 C ATOM 685 C ILE A 47 6.919 -7.861 8.757 1.00 0.00 C ATOM 686 O ILE A 47 8.117 -7.718 9.003 1.00 0.00 O ATOM 687 CB ILE A 47 5.913 -9.561 7.231 1.00 0.00 C ATOM 688 CG1 ILE A 47 5.323 -10.969 7.123 1.00 0.00 C ATOM 689 CG2 ILE A 47 7.127 -9.419 6.325 1.00 0.00 C ATOM 690 CD1 ILE A 47 4.576 -11.213 5.831 1.00 0.00 C ATOM 0 H ILE A 47 4.300 -9.719 9.132 1.00 0.00 H new ATOM 0 HA ILE A 47 7.019 -9.990 9.033 1.00 0.00 H new ATOM 0 HB ILE A 47 5.157 -8.845 6.908 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.127 -11.699 7.212 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.647 -11.136 7.961 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.842 -9.641 5.297 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.507 -8.399 6.384 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.903 -10.115 6.645 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.185 -12.231 5.823 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.750 -10.506 5.749 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.254 -11.078 4.988 1.00 0.00 H new ATOM 702 N HIS A 48 6.099 -6.838 8.537 1.00 0.00 N ATOM 703 CA HIS A 48 6.570 -5.459 8.574 1.00 0.00 C ATOM 704 C HIS A 48 7.488 -5.230 9.771 1.00 0.00 C ATOM 705 O HIS A 48 8.697 -5.065 9.615 1.00 0.00 O ATOM 706 CB HIS A 48 5.385 -4.494 8.633 1.00 0.00 C ATOM 707 CG HIS A 48 4.598 -4.434 7.360 1.00 0.00 C ATOM 708 ND1 HIS A 48 5.167 -4.595 6.115 1.00 0.00 N ATOM 709 CD2 HIS A 48 3.277 -4.230 7.145 1.00 0.00 C ATOM 710 CE1 HIS A 48 4.231 -4.491 5.189 1.00 0.00 C ATOM 711 NE2 HIS A 48 3.075 -4.270 5.788 1.00 0.00 N ATOM 0 H HIS A 48 5.105 -6.939 8.331 1.00 0.00 H new ATOM 0 HA HIS A 48 7.137 -5.271 7.662 1.00 0.00 H new ATOM 0 HB2 HIS A 48 4.723 -4.793 9.446 1.00 0.00 H new ATOM 0 HB3 HIS A 48 5.752 -3.496 8.871 1.00 0.00 H new ATOM 0 HD1 HIS A 48 6.156 -4.768 5.937 1.00 0.00 H new ATOM 0 HD2 HIS A 48 2.523 -4.066 7.900 1.00 0.00 H new ATOM 0 HE1 HIS A 48 4.385 -4.573 4.123 1.00 0.00 H new ATOM 719 N ASN A 49 6.904 -5.221 10.965 1.00 0.00 N ATOM 720 CA ASN A 49 7.670 -5.011 12.188 1.00 0.00 C ATOM 721 C ASN A 49 8.888 -5.929 12.232 1.00 0.00 C ATOM 722 O ASN A 49 10.006 -5.480 12.478 1.00 0.00 O ATOM 723 CB ASN A 49 6.788 -5.256 13.414 1.00 0.00 C ATOM 724 CG ASN A 49 5.696 -6.274 13.147 1.00 0.00 C ATOM 725 OD1 ASN A 49 5.806 -7.436 13.539 1.00 0.00 O ATOM 726 ND2 ASN A 49 4.635 -5.841 12.477 1.00 0.00 N ATOM 0 H ASN A 49 5.904 -5.357 11.111 1.00 0.00 H new ATOM 0 HA ASN A 49 8.016 -3.978 12.198 1.00 0.00 H new ATOM 0 HB2 ASN A 49 7.408 -5.601 14.241 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.335 -4.315 13.726 1.00 0.00 H new ATOM 0 HD21 ASN A 49 3.868 -6.480 12.268 1.00 0.00 H new ATOM 0 HD22 ASN A 49 4.587 -4.869 12.171 1.00 0.00 H new ATOM 733 N GLU A 50 8.661 -7.217 11.991 1.00 0.00 N ATOM 734 CA GLU A 50 9.740 -8.197 12.004 1.00 0.00 C ATOM 735 C GLU A 50 10.929 -7.708 11.182 1.00 0.00 C ATOM 736 O GLU A 50 12.081 -7.859 11.588 1.00 0.00 O ATOM 737 CB GLU A 50 9.246 -9.539 11.458 1.00 0.00 C ATOM 738 CG GLU A 50 8.465 -10.358 12.473 1.00 0.00 C ATOM 739 CD GLU A 50 8.206 -11.776 12.002 1.00 0.00 C ATOM 740 OE1 GLU A 50 8.969 -12.263 11.141 1.00 0.00 O ATOM 741 OE2 GLU A 50 7.242 -12.398 12.494 1.00 0.00 O ATOM 0 H GLU A 50 7.741 -7.605 11.785 1.00 0.00 H new ATOM 0 HA GLU A 50 10.064 -8.329 13.036 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.616 -9.358 10.587 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.102 -10.120 11.116 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.016 -10.386 13.413 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.513 -9.867 12.676 1.00 0.00 H new ATOM 748 N GLU A 51 10.639 -7.123 10.024 1.00 0.00 N ATOM 749 CA GLU A 51 11.685 -6.613 9.144 1.00 0.00 C ATOM 750 C GLU A 51 12.460 -5.485 9.817 1.00 0.00 C ATOM 751 O GLU A 51 13.686 -5.415 9.721 1.00 0.00 O ATOM 752 CB GLU A 51 11.079 -6.116 7.830 1.00 0.00 C ATOM 753 CG GLU A 51 10.577 -7.234 6.930 1.00 0.00 C ATOM 754 CD GLU A 51 10.674 -6.885 5.458 1.00 0.00 C ATOM 755 OE1 GLU A 51 9.826 -6.105 4.976 1.00 0.00 O ATOM 756 OE2 GLU A 51 11.597 -7.392 4.787 1.00 0.00 O ATOM 0 H GLU A 51 9.690 -6.990 9.674 1.00 0.00 H new ATOM 0 HA GLU A 51 12.376 -7.429 8.932 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.252 -5.442 8.053 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.828 -5.535 7.291 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.154 -8.138 7.124 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.540 -7.458 7.179 1.00 0.00 H new ATOM 763 N PHE A 52 11.737 -4.602 10.499 1.00 0.00 N ATOM 764 CA PHE A 52 12.356 -3.476 11.188 1.00 0.00 C ATOM 765 C PHE A 52 13.410 -3.957 12.180 1.00 0.00 C ATOM 766 O PHE A 52 14.503 -3.397 12.261 1.00 0.00 O ATOM 767 CB PHE A 52 11.294 -2.650 11.916 1.00 0.00 C ATOM 768 CG PHE A 52 11.775 -1.290 12.335 1.00 0.00 C ATOM 769 CD1 PHE A 52 12.588 -1.142 13.448 1.00 0.00 C ATOM 770 CD2 PHE A 52 11.416 -0.161 11.617 1.00 0.00 C ATOM 771 CE1 PHE A 52 13.031 0.108 13.837 1.00 0.00 C ATOM 772 CE2 PHE A 52 11.857 1.091 12.001 1.00 0.00 C ATOM 773 CZ PHE A 52 12.667 1.226 13.112 1.00 0.00 C ATOM 0 H PHE A 52 10.722 -4.645 10.589 1.00 0.00 H new ATOM 0 HA PHE A 52 12.845 -2.850 10.441 1.00 0.00 H new ATOM 0 HB2 PHE A 52 10.426 -2.535 11.267 1.00 0.00 H new ATOM 0 HB3 PHE A 52 10.962 -3.197 12.798 1.00 0.00 H new ATOM 0 HD1 PHE A 52 12.878 -2.013 14.017 1.00 0.00 H new ATOM 0 HD2 PHE A 52 10.784 -0.261 10.747 1.00 0.00 H new ATOM 0 HE1 PHE A 52 13.662 0.211 14.708 1.00 0.00 H new ATOM 0 HE2 PHE A 52 11.569 1.963 11.433 1.00 0.00 H new ATOM 0 HZ PHE A 52 13.015 2.203 13.413 1.00 0.00 H new ATOM 783 N GLN A 53 13.073 -4.999 12.933 1.00 0.00 N ATOM 784 CA GLN A 53 13.989 -5.556 13.922 1.00 0.00 C ATOM 785 C GLN A 53 15.415 -5.593 13.381 1.00 0.00 C ATOM 786 O GLN A 53 16.353 -5.145 14.041 1.00 0.00 O ATOM 787 CB GLN A 53 13.546 -6.964 14.323 1.00 0.00 C ATOM 788 CG GLN A 53 12.213 -6.997 15.052 1.00 0.00 C ATOM 789 CD GLN A 53 12.127 -5.965 16.159 1.00 0.00 C ATOM 790 OE1 GLN A 53 11.957 -4.773 15.901 1.00 0.00 O ATOM 791 NE2 GLN A 53 12.243 -6.418 17.402 1.00 0.00 N ATOM 0 H GLN A 53 12.172 -5.475 12.877 1.00 0.00 H new ATOM 0 HA GLN A 53 13.970 -4.913 14.802 1.00 0.00 H new ATOM 0 HB2 GLN A 53 13.477 -7.583 13.428 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.310 -7.409 14.960 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.408 -6.825 14.337 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.058 -7.990 15.474 1.00 0.00 H new ATOM 0 HE21 GLN A 53 12.383 -7.414 17.571 1.00 0.00 H new ATOM 0 HE22 GLN A 53 12.192 -5.770 18.188 1.00 0.00 H new ATOM 800 N LYS A 54 15.572 -6.132 12.176 1.00 0.00 N ATOM 801 CA LYS A 54 16.883 -6.228 11.546 1.00 0.00 C ATOM 802 C LYS A 54 17.662 -4.926 11.708 1.00 0.00 C ATOM 803 O LYS A 54 18.829 -4.935 12.097 1.00 0.00 O ATOM 804 CB LYS A 54 16.733 -6.563 10.060 1.00 0.00 C ATOM 805 CG LYS A 54 16.328 -8.003 9.799 1.00 0.00 C ATOM 806 CD LYS A 54 16.759 -8.463 8.416 1.00 0.00 C ATOM 807 CE LYS A 54 17.020 -9.961 8.383 1.00 0.00 C ATOM 808 NZ LYS A 54 17.723 -10.373 7.136 1.00 0.00 N ATOM 0 H LYS A 54 14.807 -6.509 11.617 1.00 0.00 H new ATOM 0 HA LYS A 54 17.438 -7.026 12.039 1.00 0.00 H new ATOM 0 HB2 LYS A 54 15.988 -5.900 9.620 1.00 0.00 H new ATOM 0 HB3 LYS A 54 17.677 -6.363 9.554 1.00 0.00 H new ATOM 0 HG2 LYS A 54 16.775 -8.650 10.554 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.247 -8.101 9.895 1.00 0.00 H new ATOM 0 HD2 LYS A 54 15.986 -8.211 7.690 1.00 0.00 H new ATOM 0 HD3 LYS A 54 17.661 -7.929 8.118 1.00 0.00 H new ATOM 0 HE2 LYS A 54 17.619 -10.245 9.248 1.00 0.00 H new ATOM 0 HE3 LYS A 54 16.074 -10.497 8.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 17.883 -11.401 7.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 17.140 -10.125 6.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 18.637 -9.881 7.074 1.00 0.00 H new ATOM 822 N ARG A 55 17.007 -3.809 11.408 1.00 0.00 N ATOM 823 CA ARG A 55 17.638 -2.500 11.522 1.00 0.00 C ATOM 824 C ARG A 55 17.757 -2.078 12.983 1.00 0.00 C ATOM 825 O ARG A 55 18.847 -1.774 13.465 1.00 0.00 O ATOM 826 CB ARG A 55 16.839 -1.455 10.741 1.00 0.00 C ATOM 827 CG ARG A 55 17.610 -0.173 10.473 1.00 0.00 C ATOM 828 CD ARG A 55 16.760 0.843 9.727 1.00 0.00 C ATOM 829 NE ARG A 55 17.572 1.883 9.102 1.00 0.00 N ATOM 830 CZ ARG A 55 17.989 2.972 9.739 1.00 0.00 C ATOM 831 NH1 ARG A 55 17.671 3.162 11.012 1.00 0.00 N ATOM 832 NH2 ARG A 55 18.725 3.874 9.103 1.00 0.00 N ATOM 0 H ARG A 55 16.040 -3.785 11.084 1.00 0.00 H new ATOM 0 HA ARG A 55 18.641 -2.571 11.100 1.00 0.00 H new ATOM 0 HB2 ARG A 55 16.526 -1.886 9.790 1.00 0.00 H new ATOM 0 HB3 ARG A 55 15.932 -1.214 11.296 1.00 0.00 H new ATOM 0 HG2 ARG A 55 17.945 0.255 11.418 1.00 0.00 H new ATOM 0 HG3 ARG A 55 18.503 -0.399 9.891 1.00 0.00 H new ATOM 0 HD2 ARG A 55 16.173 0.333 8.963 1.00 0.00 H new ATOM 0 HD3 ARG A 55 16.053 1.302 10.418 1.00 0.00 H new ATOM 0 HE ARG A 55 17.833 1.767 8.123 1.00 0.00 H new ATOM 0 HH11 ARG A 55 17.105 2.471 11.505 1.00 0.00 H new ATOM 0 HH12 ARG A 55 17.992 3.999 11.499 1.00 0.00 H new ATOM 0 HH21 ARG A 55 18.972 3.732 8.123 1.00 0.00 H new ATOM 0 HH22 ARG A 55 19.044 4.709 9.593 1.00 0.00 H new ATOM 846 N ALA A 56 16.627 -2.061 13.682 1.00 0.00 N ATOM 847 CA ALA A 56 16.604 -1.678 15.088 1.00 0.00 C ATOM 848 C ALA A 56 17.280 -0.328 15.301 1.00 0.00 C ATOM 849 O ALA A 56 18.016 -0.136 16.268 1.00 0.00 O ATOM 850 CB ALA A 56 17.277 -2.747 15.937 1.00 0.00 C ATOM 0 H ALA A 56 15.715 -2.308 13.297 1.00 0.00 H new ATOM 0 HA ALA A 56 15.563 -1.586 15.397 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.253 -2.448 16.985 1.00 0.00 H new ATOM 0 HB2 ALA A 56 16.749 -3.693 15.817 1.00 0.00 H new ATOM 0 HB3 ALA A 56 18.312 -2.867 15.618 1.00 0.00 H new ATOM 856 N LYS A 57 17.026 0.605 14.390 1.00 0.00 N ATOM 857 CA LYS A 57 17.609 1.939 14.477 1.00 0.00 C ATOM 858 C LYS A 57 19.133 1.868 14.472 1.00 0.00 C ATOM 859 O LYS A 57 19.792 2.426 15.349 1.00 0.00 O ATOM 860 CB LYS A 57 17.124 2.648 15.743 1.00 0.00 C ATOM 861 CG LYS A 57 16.922 4.143 15.563 1.00 0.00 C ATOM 862 CD LYS A 57 18.172 4.923 15.934 1.00 0.00 C ATOM 863 CE LYS A 57 18.390 4.945 17.439 1.00 0.00 C ATOM 864 NZ LYS A 57 17.444 5.870 18.123 1.00 0.00 N ATOM 0 H LYS A 57 16.420 0.462 13.582 1.00 0.00 H new ATOM 0 HA LYS A 57 17.287 2.507 13.604 1.00 0.00 H new ATOM 0 HB2 LYS A 57 16.184 2.199 16.064 1.00 0.00 H new ATOM 0 HB3 LYS A 57 17.846 2.481 16.542 1.00 0.00 H new ATOM 0 HG2 LYS A 57 16.655 4.353 14.527 1.00 0.00 H new ATOM 0 HG3 LYS A 57 16.088 4.475 16.181 1.00 0.00 H new ATOM 0 HD2 LYS A 57 19.039 4.477 15.446 1.00 0.00 H new ATOM 0 HD3 LYS A 57 18.088 5.944 15.563 1.00 0.00 H new ATOM 0 HE2 LYS A 57 18.266 3.938 17.839 1.00 0.00 H new ATOM 0 HE3 LYS A 57 19.414 5.250 17.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 17.710 5.961 19.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 17.482 6.805 17.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 16.478 5.491 18.055 1.00 0.00 H new ATOM 878 N ARG A 58 19.686 1.179 13.479 1.00 0.00 N ATOM 879 CA ARG A 58 21.132 1.035 13.362 1.00 0.00 C ATOM 880 C ARG A 58 21.812 2.401 13.319 1.00 0.00 C ATOM 881 O ARG A 58 22.930 2.563 13.808 1.00 0.00 O ATOM 882 CB ARG A 58 21.486 0.238 12.105 1.00 0.00 C ATOM 883 CG ARG A 58 21.082 0.928 10.812 1.00 0.00 C ATOM 884 CD ARG A 58 21.924 0.450 9.639 1.00 0.00 C ATOM 885 NE ARG A 58 21.460 -0.833 9.120 1.00 0.00 N ATOM 886 CZ ARG A 58 21.610 -1.212 7.855 1.00 0.00 C ATOM 887 NH1 ARG A 58 22.210 -0.410 6.986 1.00 0.00 N ATOM 888 NH2 ARG A 58 21.161 -2.396 7.458 1.00 0.00 N ATOM 0 H ARG A 58 19.155 0.712 12.744 1.00 0.00 H new ATOM 0 HA ARG A 58 21.491 0.496 14.239 1.00 0.00 H new ATOM 0 HB2 ARG A 58 22.561 0.058 12.090 1.00 0.00 H new ATOM 0 HB3 ARG A 58 21.000 -0.736 12.154 1.00 0.00 H new ATOM 0 HG2 ARG A 58 20.029 0.734 10.608 1.00 0.00 H new ATOM 0 HG3 ARG A 58 21.191 2.007 10.924 1.00 0.00 H new ATOM 0 HD2 ARG A 58 21.894 1.195 8.844 1.00 0.00 H new ATOM 0 HD3 ARG A 58 22.964 0.360 9.952 1.00 0.00 H new ATOM 0 HE ARG A 58 20.995 -1.474 9.763 1.00 0.00 H new ATOM 0 HH11 ARG A 58 22.558 0.500 7.288 1.00 0.00 H new ATOM 0 HH12 ARG A 58 22.324 -0.703 6.016 1.00 0.00 H new ATOM 0 HH21 ARG A 58 20.700 -3.016 8.124 1.00 0.00 H new ATOM 0 HH22 ARG A 58 21.277 -2.686 6.487 1.00 0.00 H new ATOM 902 N GLN A 59 21.129 3.378 12.732 1.00 0.00 N ATOM 903 CA GLN A 59 21.668 4.729 12.625 1.00 0.00 C ATOM 904 C GLN A 59 20.608 5.699 12.115 1.00 0.00 C ATOM 905 O GLN A 59 20.257 5.685 10.936 1.00 0.00 O ATOM 906 CB GLN A 59 22.881 4.744 11.694 1.00 0.00 C ATOM 907 CG GLN A 59 23.817 5.918 11.933 1.00 0.00 C ATOM 908 CD GLN A 59 25.071 5.847 11.085 1.00 0.00 C ATOM 909 OE1 GLN A 59 25.026 5.443 9.922 1.00 0.00 O ATOM 910 NE2 GLN A 59 26.201 6.239 11.663 1.00 0.00 N ATOM 0 H GLN A 59 20.202 3.260 12.323 1.00 0.00 H new ATOM 0 HA GLN A 59 21.978 5.049 13.620 1.00 0.00 H new ATOM 0 HB2 GLN A 59 23.437 3.815 11.820 1.00 0.00 H new ATOM 0 HB3 GLN A 59 22.535 4.770 10.661 1.00 0.00 H new ATOM 0 HG2 GLN A 59 23.290 6.848 11.718 1.00 0.00 H new ATOM 0 HG3 GLN A 59 24.096 5.946 12.986 1.00 0.00 H new ATOM 0 HE21 GLN A 59 26.193 6.567 12.629 1.00 0.00 H new ATOM 0 HE22 GLN A 59 27.077 6.212 11.141 1.00 0.00 H new ATOM 919 N GLU A 60 20.103 6.541 13.012 1.00 0.00 N ATOM 920 CA GLU A 60 19.081 7.517 12.651 1.00 0.00 C ATOM 921 C GLU A 60 19.257 8.807 13.447 1.00 0.00 C ATOM 922 O GLU A 60 19.609 8.779 14.626 1.00 0.00 O ATOM 923 CB GLU A 60 17.685 6.941 12.894 1.00 0.00 C ATOM 924 CG GLU A 60 16.578 7.714 12.196 1.00 0.00 C ATOM 925 CD GLU A 60 16.704 7.677 10.685 1.00 0.00 C ATOM 926 OE1 GLU A 60 17.356 6.747 10.167 1.00 0.00 O ATOM 927 OE2 GLU A 60 16.150 8.578 10.021 1.00 0.00 O ATOM 0 H GLU A 60 20.384 6.567 13.992 1.00 0.00 H new ATOM 0 HA GLU A 60 19.191 7.746 11.591 1.00 0.00 H new ATOM 0 HB2 GLU A 60 17.664 5.906 12.554 1.00 0.00 H new ATOM 0 HB3 GLU A 60 17.488 6.928 13.966 1.00 0.00 H new ATOM 0 HG2 GLU A 60 15.612 7.300 12.487 1.00 0.00 H new ATOM 0 HG3 GLU A 60 16.595 8.750 12.533 1.00 0.00 H new ATOM 934 N ARG A 61 19.010 9.938 12.793 1.00 0.00 N ATOM 935 CA ARG A 61 19.142 11.238 13.438 1.00 0.00 C ATOM 936 C ARG A 61 17.773 11.806 13.803 1.00 0.00 C ATOM 937 O ARG A 61 17.023 12.251 12.935 1.00 0.00 O ATOM 938 CB ARG A 61 19.882 12.214 12.520 1.00 0.00 C ATOM 939 CG ARG A 61 19.250 12.354 11.145 1.00 0.00 C ATOM 940 CD ARG A 61 20.130 13.167 10.208 1.00 0.00 C ATOM 941 NE ARG A 61 19.919 14.603 10.368 1.00 0.00 N ATOM 942 CZ ARG A 61 20.778 15.524 9.943 1.00 0.00 C ATOM 943 NH1 ARG A 61 21.898 15.159 9.335 1.00 0.00 N ATOM 944 NH2 ARG A 61 20.515 16.812 10.125 1.00 0.00 N ATOM 0 H ARG A 61 18.717 9.979 11.817 1.00 0.00 H new ATOM 0 HA ARG A 61 19.717 11.104 14.354 1.00 0.00 H new ATOM 0 HB2 ARG A 61 19.916 13.194 12.997 1.00 0.00 H new ATOM 0 HB3 ARG A 61 20.913 11.880 12.404 1.00 0.00 H new ATOM 0 HG2 ARG A 61 19.079 11.365 10.719 1.00 0.00 H new ATOM 0 HG3 ARG A 61 18.276 12.833 11.238 1.00 0.00 H new ATOM 0 HD2 ARG A 61 21.177 12.931 10.398 1.00 0.00 H new ATOM 0 HD3 ARG A 61 19.921 12.883 9.177 1.00 0.00 H new ATOM 0 HE ARG A 61 19.066 14.916 10.831 1.00 0.00 H new ATOM 0 HH11 ARG A 61 22.102 14.170 9.193 1.00 0.00 H new ATOM 0 HH12 ARG A 61 22.556 15.867 9.010 1.00 0.00 H new ATOM 0 HH21 ARG A 61 19.653 17.096 10.591 1.00 0.00 H new ATOM 0 HH22 ARG A 61 21.175 17.518 9.799 1.00 0.00 H new ATOM 958 N ARG A 62 17.455 11.785 15.093 1.00 0.00 N ATOM 959 CA ARG A 62 16.177 12.295 15.573 1.00 0.00 C ATOM 960 C ARG A 62 16.240 12.604 17.066 1.00 0.00 C ATOM 961 O ARG A 62 16.994 11.976 17.810 1.00 0.00 O ATOM 962 CB ARG A 62 15.063 11.283 15.297 1.00 0.00 C ATOM 963 CG ARG A 62 15.277 9.942 15.980 1.00 0.00 C ATOM 964 CD ARG A 62 14.707 9.937 17.390 1.00 0.00 C ATOM 965 NE ARG A 62 14.603 8.586 17.934 1.00 0.00 N ATOM 966 CZ ARG A 62 14.633 8.312 19.233 1.00 0.00 C ATOM 967 NH1 ARG A 62 14.764 9.291 20.117 1.00 0.00 N ATOM 968 NH2 ARG A 62 14.532 7.056 19.650 1.00 0.00 N ATOM 0 H ARG A 62 18.065 11.420 15.824 1.00 0.00 H new ATOM 0 HA ARG A 62 15.960 13.219 15.038 1.00 0.00 H new ATOM 0 HB2 ARG A 62 14.113 11.702 15.627 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.985 11.125 14.221 1.00 0.00 H new ATOM 0 HG2 ARG A 62 14.805 9.154 15.393 1.00 0.00 H new ATOM 0 HG3 ARG A 62 16.343 9.717 16.017 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.341 10.541 18.039 1.00 0.00 H new ATOM 0 HD3 ARG A 62 13.721 10.402 17.384 1.00 0.00 H new ATOM 0 HE ARG A 62 14.502 7.810 17.280 1.00 0.00 H new ATOM 0 HH11 ARG A 62 14.842 10.257 19.800 1.00 0.00 H new ATOM 0 HH12 ARG A 62 14.787 9.078 21.114 1.00 0.00 H new ATOM 0 HH21 ARG A 62 14.431 6.300 18.972 1.00 0.00 H new ATOM 0 HH22 ARG A 62 14.555 6.847 20.648 1.00 0.00 H new ATOM 982 N LYS A 63 15.443 13.575 17.499 1.00 0.00 N ATOM 983 CA LYS A 63 15.407 13.968 18.903 1.00 0.00 C ATOM 984 C LYS A 63 14.087 13.560 19.548 1.00 0.00 C ATOM 985 O LYS A 63 13.076 13.400 18.864 1.00 0.00 O ATOM 986 CB LYS A 63 15.607 15.479 19.036 1.00 0.00 C ATOM 987 CG LYS A 63 17.061 15.910 18.945 1.00 0.00 C ATOM 988 CD LYS A 63 17.753 15.830 20.295 1.00 0.00 C ATOM 989 CE LYS A 63 19.216 16.233 20.196 1.00 0.00 C ATOM 990 NZ LYS A 63 20.001 15.764 21.372 1.00 0.00 N ATOM 0 H LYS A 63 14.813 14.105 16.897 1.00 0.00 H new ATOM 0 HA LYS A 63 16.218 13.454 19.420 1.00 0.00 H new ATOM 0 HB2 LYS A 63 15.038 15.983 18.255 1.00 0.00 H new ATOM 0 HB3 LYS A 63 15.198 15.809 19.991 1.00 0.00 H new ATOM 0 HG2 LYS A 63 17.585 15.277 18.229 1.00 0.00 H new ATOM 0 HG3 LYS A 63 17.116 16.931 18.567 1.00 0.00 H new ATOM 0 HD2 LYS A 63 17.243 16.480 21.006 1.00 0.00 H new ATOM 0 HD3 LYS A 63 17.680 14.814 20.683 1.00 0.00 H new ATOM 0 HE2 LYS A 63 19.646 15.819 19.284 1.00 0.00 H new ATOM 0 HE3 LYS A 63 19.290 17.318 20.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 20.993 16.058 21.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 19.607 16.179 22.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 19.952 14.727 21.431 1.00 0.00 H new ATOM 1004 N GLN A 64 14.103 13.395 20.867 1.00 0.00 N ATOM 1005 CA GLN A 64 12.906 13.007 21.603 1.00 0.00 C ATOM 1006 C GLN A 64 11.853 14.109 21.549 1.00 0.00 C ATOM 1007 O GLN A 64 10.706 13.869 21.168 1.00 0.00 O ATOM 1008 CB GLN A 64 13.256 12.691 23.058 1.00 0.00 C ATOM 1009 CG GLN A 64 13.911 13.850 23.792 1.00 0.00 C ATOM 1010 CD GLN A 64 14.472 13.444 25.141 1.00 0.00 C ATOM 1011 OE1 GLN A 64 14.313 12.303 25.574 1.00 0.00 O ATOM 1012 NE2 GLN A 64 15.132 14.380 25.813 1.00 0.00 N ATOM 0 H GLN A 64 14.932 13.524 21.447 1.00 0.00 H new ATOM 0 HA GLN A 64 12.495 12.113 21.133 1.00 0.00 H new ATOM 0 HB2 GLN A 64 12.347 12.404 23.587 1.00 0.00 H new ATOM 0 HB3 GLN A 64 13.925 11.831 23.083 1.00 0.00 H new ATOM 0 HG2 GLN A 64 14.713 14.258 23.177 1.00 0.00 H new ATOM 0 HG3 GLN A 64 13.180 14.646 23.931 1.00 0.00 H new ATOM 0 HE21 GLN A 64 15.240 15.313 25.415 1.00 0.00 H new ATOM 0 HE22 GLN A 64 15.531 14.166 26.727 1.00 0.00 H new ATOM 1021 N LEU A 65 12.249 15.318 21.933 1.00 0.00 N ATOM 1022 CA LEU A 65 11.339 16.458 21.929 1.00 0.00 C ATOM 1023 C LEU A 65 12.111 17.771 21.850 1.00 0.00 C ATOM 1024 O LEU A 65 13.343 17.780 21.850 1.00 0.00 O ATOM 1025 CB LEU A 65 10.465 16.442 23.185 1.00 0.00 C ATOM 1026 CG LEU A 65 9.123 15.720 23.059 1.00 0.00 C ATOM 1027 CD1 LEU A 65 8.526 15.460 24.434 1.00 0.00 C ATOM 1028 CD2 LEU A 65 8.160 16.527 22.201 1.00 0.00 C ATOM 0 H LEU A 65 13.194 15.534 22.251 1.00 0.00 H new ATOM 0 HA LEU A 65 10.701 16.379 21.048 1.00 0.00 H new ATOM 0 HB2 LEU A 65 11.031 15.976 23.992 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.274 17.473 23.484 1.00 0.00 H new ATOM 0 HG LEU A 65 9.293 14.760 22.572 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.571 14.946 24.325 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.208 14.840 25.015 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.370 16.408 24.948 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.211 15.997 22.123 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.995 17.502 22.659 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.584 16.661 21.206 1.00 0.00 H new ATOM 1040 N LEU A 66 11.380 18.878 21.785 1.00 0.00 N ATOM 1041 CA LEU A 66 11.996 20.198 21.708 1.00 0.00 C ATOM 1042 C LEU A 66 11.787 20.974 23.005 1.00 0.00 C ATOM 1043 O LEU A 66 10.894 21.816 23.099 1.00 0.00 O ATOM 1044 CB LEU A 66 11.417 20.985 20.531 1.00 0.00 C ATOM 1045 CG LEU A 66 12.316 22.074 19.944 1.00 0.00 C ATOM 1046 CD1 LEU A 66 12.747 23.051 21.027 1.00 0.00 C ATOM 1047 CD2 LEU A 66 13.531 21.455 19.267 1.00 0.00 C ATOM 0 H LEU A 66 10.360 18.888 21.784 1.00 0.00 H new ATOM 0 HA LEU A 66 13.067 20.063 21.556 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.167 20.281 19.737 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.484 21.447 20.853 1.00 0.00 H new ATOM 0 HG LEU A 66 11.747 22.623 19.194 1.00 0.00 H new ATOM 0 HD11 LEU A 66 13.386 23.819 20.591 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.866 23.519 21.467 1.00 0.00 H new ATOM 0 HD13 LEU A 66 13.298 22.517 21.801 1.00 0.00 H new ATOM 0 HD21 LEU A 66 14.160 22.244 18.855 1.00 0.00 H new ATOM 0 HD22 LEU A 66 14.101 20.881 19.997 1.00 0.00 H new ATOM 0 HD23 LEU A 66 13.203 20.796 18.463 1.00 0.00 H new ATOM 1059 N SER A 67 12.617 20.685 24.002 1.00 0.00 N ATOM 1060 CA SER A 67 12.521 21.354 25.294 1.00 0.00 C ATOM 1061 C SER A 67 13.856 21.304 26.031 1.00 0.00 C ATOM 1062 O SER A 67 14.643 20.373 25.854 1.00 0.00 O ATOM 1063 CB SER A 67 11.430 20.706 26.148 1.00 0.00 C ATOM 1064 OG SER A 67 10.168 21.302 25.901 1.00 0.00 O ATOM 0 H SER A 67 13.363 19.992 23.940 1.00 0.00 H new ATOM 0 HA SER A 67 12.262 22.398 25.117 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.380 19.639 25.932 1.00 0.00 H new ATOM 0 HB3 SER A 67 11.683 20.806 27.204 1.00 0.00 H new ATOM 0 HG SER A 67 10.122 21.595 24.967 1.00 0.00 H new ATOM 1070 N LYS A 68 14.106 22.313 26.859 1.00 0.00 N ATOM 1071 CA LYS A 68 15.344 22.386 27.625 1.00 0.00 C ATOM 1072 C LYS A 68 15.128 21.903 29.056 1.00 0.00 C ATOM 1073 O LYS A 68 15.641 22.496 30.004 1.00 0.00 O ATOM 1074 CB LYS A 68 15.878 23.820 27.636 1.00 0.00 C ATOM 1075 CG LYS A 68 16.697 24.173 26.406 1.00 0.00 C ATOM 1076 CD LYS A 68 15.818 24.329 25.176 1.00 0.00 C ATOM 1077 CE LYS A 68 15.303 25.753 25.036 1.00 0.00 C ATOM 1078 NZ LYS A 68 16.353 26.674 24.520 1.00 0.00 N ATOM 0 H LYS A 68 13.467 23.092 27.016 1.00 0.00 H new ATOM 0 HA LYS A 68 16.076 21.735 27.146 1.00 0.00 H new ATOM 0 HB2 LYS A 68 15.039 24.511 27.714 1.00 0.00 H new ATOM 0 HB3 LYS A 68 16.492 23.963 28.525 1.00 0.00 H new ATOM 0 HG2 LYS A 68 17.242 25.100 26.585 1.00 0.00 H new ATOM 0 HG3 LYS A 68 17.440 23.396 26.227 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.385 24.057 24.286 1.00 0.00 H new ATOM 0 HD3 LYS A 68 14.975 23.641 25.240 1.00 0.00 H new ATOM 0 HE2 LYS A 68 14.446 25.765 24.362 1.00 0.00 H new ATOM 0 HE3 LYS A 68 14.952 26.109 26.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 15.926 27.595 24.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 17.089 26.801 25.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 16.778 26.270 23.661 1.00 0.00 H new ATOM 1092 N GLN A 69 14.367 20.823 29.202 1.00 0.00 N ATOM 1093 CA GLN A 69 14.085 20.260 30.517 1.00 0.00 C ATOM 1094 C GLN A 69 15.376 19.974 31.276 1.00 0.00 C ATOM 1095 O GLN A 69 16.473 20.137 30.740 1.00 0.00 O ATOM 1096 CB GLN A 69 13.264 18.976 30.381 1.00 0.00 C ATOM 1097 CG GLN A 69 13.949 17.903 29.550 1.00 0.00 C ATOM 1098 CD GLN A 69 15.334 17.562 30.064 1.00 0.00 C ATOM 1099 OE1 GLN A 69 15.517 17.277 31.247 1.00 0.00 O ATOM 1100 NE2 GLN A 69 16.319 17.591 29.174 1.00 0.00 N ATOM 0 H GLN A 69 13.935 20.321 28.426 1.00 0.00 H new ATOM 0 HA GLN A 69 13.509 20.993 31.081 1.00 0.00 H new ATOM 0 HB2 GLN A 69 13.059 18.579 31.375 1.00 0.00 H new ATOM 0 HB3 GLN A 69 12.302 19.216 29.928 1.00 0.00 H new ATOM 0 HG2 GLN A 69 13.334 17.003 29.548 1.00 0.00 H new ATOM 0 HG3 GLN A 69 14.022 18.241 28.516 1.00 0.00 H new ATOM 0 HE21 GLN A 69 16.122 17.833 28.203 1.00 0.00 H new ATOM 0 HE22 GLN A 69 17.273 17.372 29.461 1.00 0.00 H new ATOM 1109 N LYS A 70 15.240 19.548 32.527 1.00 0.00 N ATOM 1110 CA LYS A 70 16.396 19.238 33.361 1.00 0.00 C ATOM 1111 C LYS A 70 16.178 17.941 34.132 1.00 0.00 C ATOM 1112 O LYS A 70 15.043 17.496 34.310 1.00 0.00 O ATOM 1113 CB LYS A 70 16.668 20.385 34.337 1.00 0.00 C ATOM 1114 CG LYS A 70 17.171 21.650 33.664 1.00 0.00 C ATOM 1115 CD LYS A 70 18.689 21.677 33.591 1.00 0.00 C ATOM 1116 CE LYS A 70 19.192 21.160 32.252 1.00 0.00 C ATOM 1117 NZ LYS A 70 19.274 22.244 31.234 1.00 0.00 N ATOM 0 H LYS A 70 14.340 19.409 32.986 1.00 0.00 H new ATOM 0 HA LYS A 70 17.260 19.111 32.709 1.00 0.00 H new ATOM 0 HB2 LYS A 70 15.751 20.613 34.881 1.00 0.00 H new ATOM 0 HB3 LYS A 70 17.403 20.058 35.073 1.00 0.00 H new ATOM 0 HG2 LYS A 70 16.756 21.718 32.658 1.00 0.00 H new ATOM 0 HG3 LYS A 70 16.817 22.522 34.214 1.00 0.00 H new ATOM 0 HD2 LYS A 70 19.044 22.696 33.745 1.00 0.00 H new ATOM 0 HD3 LYS A 70 19.104 21.070 34.396 1.00 0.00 H new ATOM 0 HE2 LYS A 70 20.176 20.710 32.383 1.00 0.00 H new ATOM 0 HE3 LYS A 70 18.527 20.374 31.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 19.621 21.851 30.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 18.330 22.657 31.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 19.928 22.982 31.565 1.00 0.00 H new ATOM 1131 N TYR A 71 17.270 17.339 34.589 1.00 0.00 N ATOM 1132 CA TYR A 71 17.198 16.092 35.341 1.00 0.00 C ATOM 1133 C TYR A 71 17.050 16.364 36.835 1.00 0.00 C ATOM 1134 O TYR A 71 17.632 17.309 37.366 1.00 0.00 O ATOM 1135 CB TYR A 71 18.447 15.246 35.087 1.00 0.00 C ATOM 1136 CG TYR A 71 18.418 14.505 33.769 1.00 0.00 C ATOM 1137 CD1 TYR A 71 18.433 15.193 32.562 1.00 0.00 C ATOM 1138 CD2 TYR A 71 18.378 13.116 33.732 1.00 0.00 C ATOM 1139 CE1 TYR A 71 18.406 14.520 31.356 1.00 0.00 C ATOM 1140 CE2 TYR A 71 18.353 12.435 32.530 1.00 0.00 C ATOM 1141 CZ TYR A 71 18.366 13.141 31.345 1.00 0.00 C ATOM 1142 OH TYR A 71 18.341 12.467 30.146 1.00 0.00 O ATOM 0 H TYR A 71 18.216 17.694 34.452 1.00 0.00 H new ATOM 0 HA TYR A 71 16.320 15.543 35.001 1.00 0.00 H new ATOM 0 HB2 TYR A 71 19.325 15.892 35.112 1.00 0.00 H new ATOM 0 HB3 TYR A 71 18.559 14.525 35.897 1.00 0.00 H new ATOM 0 HD1 TYR A 71 18.466 16.272 32.567 1.00 0.00 H new ATOM 0 HD2 TYR A 71 18.366 12.560 34.658 1.00 0.00 H new ATOM 0 HE1 TYR A 71 18.416 15.070 30.427 1.00 0.00 H new ATOM 0 HE2 TYR A 71 18.323 11.355 32.518 1.00 0.00 H new ATOM 0 HH TYR A 71 18.315 11.502 30.314 1.00 0.00 H new ATOM 1152 N ALA A 72 16.266 15.528 37.507 1.00 0.00 N ATOM 1153 CA ALA A 72 16.042 15.675 38.940 1.00 0.00 C ATOM 1154 C ALA A 72 15.274 14.483 39.501 1.00 0.00 C ATOM 1155 O ALA A 72 14.401 13.926 38.835 1.00 0.00 O ATOM 1156 CB ALA A 72 15.295 16.969 39.227 1.00 0.00 C ATOM 0 H ALA A 72 15.775 14.741 37.082 1.00 0.00 H new ATOM 0 HA ALA A 72 17.014 15.712 39.433 1.00 0.00 H new ATOM 0 HB1 ALA A 72 15.134 17.066 40.301 1.00 0.00 H new ATOM 0 HB2 ALA A 72 15.882 17.815 38.870 1.00 0.00 H new ATOM 0 HB3 ALA A 72 14.332 16.954 38.716 1.00 0.00 H new ATOM 1162 N ASP A 73 15.604 14.097 40.728 1.00 0.00 N ATOM 1163 CA ASP A 73 14.945 12.971 41.379 1.00 0.00 C ATOM 1164 C ASP A 73 15.221 12.973 42.880 1.00 0.00 C ATOM 1165 O ASP A 73 16.178 13.591 43.344 1.00 0.00 O ATOM 1166 CB ASP A 73 15.415 11.652 40.764 1.00 0.00 C ATOM 1167 CG ASP A 73 14.385 10.548 40.904 1.00 0.00 C ATOM 1168 OD1 ASP A 73 13.525 10.650 41.803 1.00 0.00 O ATOM 1169 OD2 ASP A 73 14.439 9.583 40.113 1.00 0.00 O ATOM 0 H ASP A 73 16.324 14.547 41.292 1.00 0.00 H new ATOM 0 HA ASP A 73 13.871 13.073 41.225 1.00 0.00 H new ATOM 0 HB2 ASP A 73 15.637 11.806 39.708 1.00 0.00 H new ATOM 0 HB3 ASP A 73 16.343 11.342 41.243 1.00 0.00 H new ATOM 1174 N GLY A 74 14.374 12.278 43.633 1.00 0.00 N ATOM 1175 CA GLY A 74 14.543 12.214 45.073 1.00 0.00 C ATOM 1176 C GLY A 74 13.975 10.940 45.667 1.00 0.00 C ATOM 1177 O GLY A 74 13.217 10.226 45.012 1.00 0.00 O ATOM 0 H GLY A 74 13.574 11.758 43.272 1.00 0.00 H new ATOM 0 HA2 GLY A 74 15.604 12.283 45.315 1.00 0.00 H new ATOM 0 HA3 GLY A 74 14.055 13.074 45.532 1.00 0.00 H new ATOM 1181 N ALA A 75 14.345 10.653 46.911 1.00 0.00 N ATOM 1182 CA ALA A 75 13.868 9.457 47.593 1.00 0.00 C ATOM 1183 C ALA A 75 14.287 9.457 49.060 1.00 0.00 C ATOM 1184 O ALA A 75 15.033 10.331 49.502 1.00 0.00 O ATOM 1185 CB ALA A 75 14.386 8.209 46.894 1.00 0.00 C ATOM 0 H ALA A 75 14.974 11.233 47.467 1.00 0.00 H new ATOM 0 HA ALA A 75 12.779 9.456 47.554 1.00 0.00 H new ATOM 0 HB1 ALA A 75 14.022 7.323 47.414 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.032 8.196 45.863 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.476 8.213 46.903 1.00 0.00 H new ATOM 1191 N PHE A 76 13.803 8.472 49.809 1.00 0.00 N ATOM 1192 CA PHE A 76 14.126 8.360 51.226 1.00 0.00 C ATOM 1193 C PHE A 76 13.666 7.017 51.785 1.00 0.00 C ATOM 1194 O PHE A 76 12.933 6.278 51.127 1.00 0.00 O ATOM 1195 CB PHE A 76 13.477 9.501 52.011 1.00 0.00 C ATOM 1196 CG PHE A 76 13.852 9.517 53.466 1.00 0.00 C ATOM 1197 CD1 PHE A 76 15.178 9.618 53.852 1.00 0.00 C ATOM 1198 CD2 PHE A 76 12.877 9.432 54.447 1.00 0.00 C ATOM 1199 CE1 PHE A 76 15.526 9.634 55.190 1.00 0.00 C ATOM 1200 CE2 PHE A 76 13.219 9.447 55.786 1.00 0.00 C ATOM 1201 CZ PHE A 76 14.545 9.547 56.158 1.00 0.00 C ATOM 0 H PHE A 76 13.186 7.740 49.458 1.00 0.00 H new ATOM 0 HA PHE A 76 15.209 8.426 51.332 1.00 0.00 H new ATOM 0 HB2 PHE A 76 13.764 10.451 51.560 1.00 0.00 H new ATOM 0 HB3 PHE A 76 12.393 9.421 51.924 1.00 0.00 H new ATOM 0 HD1 PHE A 76 15.949 9.685 53.099 1.00 0.00 H new ATOM 0 HD2 PHE A 76 11.838 9.353 54.162 1.00 0.00 H new ATOM 0 HE1 PHE A 76 16.564 9.714 55.478 1.00 0.00 H new ATOM 0 HE2 PHE A 76 12.450 9.381 56.541 1.00 0.00 H new ATOM 0 HZ PHE A 76 14.814 9.557 57.204 1.00 0.00 H new ATOM 1211 N ALA A 77 14.101 6.708 53.001 1.00 0.00 N ATOM 1212 CA ALA A 77 13.733 5.455 53.649 1.00 0.00 C ATOM 1213 C ALA A 77 13.719 5.605 55.167 1.00 0.00 C ATOM 1214 O ALA A 77 14.344 6.512 55.716 1.00 0.00 O ATOM 1215 CB ALA A 77 14.688 4.346 53.236 1.00 0.00 C ATOM 0 H ALA A 77 14.709 7.308 53.558 1.00 0.00 H new ATOM 0 HA ALA A 77 12.726 5.191 53.326 1.00 0.00 H new ATOM 0 HB1 ALA A 77 14.401 3.417 53.728 1.00 0.00 H new ATOM 0 HB2 ALA A 77 14.645 4.213 52.155 1.00 0.00 H new ATOM 0 HB3 ALA A 77 15.704 4.613 53.529 1.00 0.00 H new ATOM 1221 N ASP A 78 13.002 4.711 55.838 1.00 0.00 N ATOM 1222 CA ASP A 78 12.907 4.744 57.293 1.00 0.00 C ATOM 1223 C ASP A 78 13.077 3.346 57.881 1.00 0.00 C ATOM 1224 O ASP A 78 13.186 2.363 57.148 1.00 0.00 O ATOM 1225 CB ASP A 78 11.563 5.332 57.725 1.00 0.00 C ATOM 1226 CG ASP A 78 10.469 4.285 57.794 1.00 0.00 C ATOM 1227 OD1 ASP A 78 10.334 3.502 56.830 1.00 0.00 O ATOM 1228 OD2 ASP A 78 9.747 4.248 58.813 1.00 0.00 O ATOM 0 H ASP A 78 12.478 3.954 55.398 1.00 0.00 H new ATOM 0 HA ASP A 78 13.710 5.378 57.670 1.00 0.00 H new ATOM 0 HB2 ASP A 78 11.673 5.803 58.702 1.00 0.00 H new ATOM 0 HB3 ASP A 78 11.270 6.114 57.025 1.00 0.00 H new ATOM 1233 N PHE A 79 13.100 3.266 59.207 1.00 0.00 N ATOM 1234 CA PHE A 79 13.259 1.989 59.893 1.00 0.00 C ATOM 1235 C PHE A 79 12.921 2.123 61.375 1.00 0.00 C ATOM 1236 O PHE A 79 12.940 3.221 61.932 1.00 0.00 O ATOM 1237 CB PHE A 79 14.689 1.472 59.729 1.00 0.00 C ATOM 1238 CG PHE A 79 14.857 0.035 60.133 1.00 0.00 C ATOM 1239 CD1 PHE A 79 14.084 -0.956 59.552 1.00 0.00 C ATOM 1240 CD2 PHE A 79 15.789 -0.323 61.094 1.00 0.00 C ATOM 1241 CE1 PHE A 79 14.236 -2.280 59.921 1.00 0.00 C ATOM 1242 CE2 PHE A 79 15.946 -1.645 61.467 1.00 0.00 C ATOM 1243 CZ PHE A 79 15.168 -2.624 60.881 1.00 0.00 C ATOM 0 H PHE A 79 13.011 4.070 59.828 1.00 0.00 H new ATOM 0 HA PHE A 79 12.569 1.275 59.444 1.00 0.00 H new ATOM 0 HB2 PHE A 79 14.991 1.586 58.688 1.00 0.00 H new ATOM 0 HB3 PHE A 79 15.361 2.090 60.325 1.00 0.00 H new ATOM 0 HD1 PHE A 79 13.354 -0.692 58.802 1.00 0.00 H new ATOM 0 HD2 PHE A 79 16.399 0.439 61.556 1.00 0.00 H new ATOM 0 HE1 PHE A 79 13.627 -3.044 59.460 1.00 0.00 H new ATOM 0 HE2 PHE A 79 16.677 -1.912 62.216 1.00 0.00 H new ATOM 0 HZ PHE A 79 15.288 -3.657 61.173 1.00 0.00 H new ATOM 1253 N LYS A 80 12.612 0.997 62.009 1.00 0.00 N ATOM 1254 CA LYS A 80 12.271 0.985 63.427 1.00 0.00 C ATOM 1255 C LYS A 80 12.411 -0.418 64.009 1.00 0.00 C ATOM 1256 O LYS A 80 12.277 -1.411 63.295 1.00 0.00 O ATOM 1257 CB LYS A 80 10.842 1.493 63.633 1.00 0.00 C ATOM 1258 CG LYS A 80 10.393 1.476 65.084 1.00 0.00 C ATOM 1259 CD LYS A 80 11.008 2.621 65.871 1.00 0.00 C ATOM 1260 CE LYS A 80 10.727 2.488 67.360 1.00 0.00 C ATOM 1261 NZ LYS A 80 10.839 3.796 68.064 1.00 0.00 N ATOM 0 H LYS A 80 12.591 0.080 61.563 1.00 0.00 H new ATOM 0 HA LYS A 80 12.964 1.646 63.947 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.769 2.511 63.251 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.159 0.881 63.043 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.306 1.544 65.130 1.00 0.00 H new ATOM 0 HG3 LYS A 80 10.673 0.527 65.541 1.00 0.00 H new ATOM 0 HD2 LYS A 80 12.085 2.642 65.703 1.00 0.00 H new ATOM 0 HD3 LYS A 80 10.610 3.569 65.508 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.726 2.081 67.506 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.427 1.778 67.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.640 3.664 69.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.801 4.172 67.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.153 4.467 67.662 1.00 0.00 H new ATOM 1275 N GLN A 81 12.681 -0.490 65.308 1.00 0.00 N ATOM 1276 CA GLN A 81 12.839 -1.772 65.985 1.00 0.00 C ATOM 1277 C GLN A 81 11.707 -2.005 66.980 1.00 0.00 C ATOM 1278 O GLN A 81 11.108 -3.079 67.011 1.00 0.00 O ATOM 1279 CB GLN A 81 14.187 -1.829 66.706 1.00 0.00 C ATOM 1280 CG GLN A 81 14.384 -0.713 67.719 1.00 0.00 C ATOM 1281 CD GLN A 81 13.898 -1.090 69.104 1.00 0.00 C ATOM 1282 OE1 GLN A 81 14.041 -2.235 69.535 1.00 0.00 O ATOM 1283 NE2 GLN A 81 13.320 -0.126 69.812 1.00 0.00 N ATOM 0 H GLN A 81 12.795 0.324 65.913 1.00 0.00 H new ATOM 0 HA GLN A 81 12.804 -2.559 65.232 1.00 0.00 H new ATOM 0 HB2 GLN A 81 14.277 -2.789 67.214 1.00 0.00 H new ATOM 0 HB3 GLN A 81 14.987 -1.783 65.967 1.00 0.00 H new ATOM 0 HG2 GLN A 81 15.442 -0.454 67.767 1.00 0.00 H new ATOM 0 HG3 GLN A 81 13.853 0.177 67.381 1.00 0.00 H new ATOM 0 HE21 GLN A 81 13.222 0.809 69.416 1.00 0.00 H new ATOM 0 HE22 GLN A 81 12.974 -0.321 70.752 1.00 0.00 H new ATOM 1292 N GLU A 82 11.420 -0.992 67.792 1.00 0.00 N ATOM 1293 CA GLU A 82 10.361 -1.089 68.789 1.00 0.00 C ATOM 1294 C GLU A 82 10.281 -2.500 69.362 1.00 0.00 C ATOM 1295 O GLU A 82 9.193 -3.042 69.558 1.00 0.00 O ATOM 1296 CB GLU A 82 9.015 -0.699 68.174 1.00 0.00 C ATOM 1297 CG GLU A 82 7.932 -0.425 69.204 1.00 0.00 C ATOM 1298 CD GLU A 82 6.536 -0.648 68.655 1.00 0.00 C ATOM 1299 OE1 GLU A 82 6.300 -1.715 68.051 1.00 0.00 O ATOM 1300 OE2 GLU A 82 5.680 0.244 68.830 1.00 0.00 O ATOM 0 H GLU A 82 11.906 -0.095 67.779 1.00 0.00 H new ATOM 0 HA GLU A 82 10.596 -0.399 69.600 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.151 0.189 67.557 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.682 -1.499 67.513 1.00 0.00 H new ATOM 0 HG2 GLU A 82 8.086 -1.071 70.068 1.00 0.00 H new ATOM 0 HG3 GLU A 82 8.021 0.603 69.554 1.00 0.00 H new ATOM 1307 N SER A 83 11.441 -3.091 69.629 1.00 0.00 N ATOM 1308 CA SER A 83 11.504 -4.441 70.176 1.00 0.00 C ATOM 1309 C SER A 83 11.893 -4.412 71.651 1.00 0.00 C ATOM 1310 O SER A 83 12.213 -3.359 72.200 1.00 0.00 O ATOM 1311 CB SER A 83 12.506 -5.287 69.389 1.00 0.00 C ATOM 1312 OG SER A 83 13.836 -4.869 69.642 1.00 0.00 O ATOM 0 H SER A 83 12.351 -2.656 69.475 1.00 0.00 H new ATOM 0 HA SER A 83 10.514 -4.888 70.088 1.00 0.00 H new ATOM 0 HB2 SER A 83 12.393 -6.336 69.661 1.00 0.00 H new ATOM 0 HB3 SER A 83 12.294 -5.210 68.323 1.00 0.00 H new ATOM 0 HG SER A 83 13.840 -3.918 69.880 1.00 0.00 H new ATOM 1318 N GLY A 84 11.862 -5.579 72.288 1.00 0.00 N ATOM 1319 CA GLY A 84 12.213 -5.666 73.694 1.00 0.00 C ATOM 1320 C GLY A 84 12.687 -7.051 74.088 1.00 0.00 C ATOM 1321 O GLY A 84 12.226 -8.063 73.558 1.00 0.00 O ATOM 0 H GLY A 84 11.600 -6.465 71.856 1.00 0.00 H new ATOM 0 HA2 GLY A 84 12.996 -4.941 73.916 1.00 0.00 H new ATOM 0 HA3 GLY A 84 11.347 -5.396 74.299 1.00 0.00 H new ATOM 1325 N PRO A 85 13.632 -7.110 75.038 1.00 0.00 N ATOM 1326 CA PRO A 85 14.190 -8.375 75.523 1.00 0.00 C ATOM 1327 C PRO A 85 13.182 -9.179 76.338 1.00 0.00 C ATOM 1328 O PRO A 85 12.034 -8.767 76.504 1.00 0.00 O ATOM 1329 CB PRO A 85 15.360 -7.933 76.406 1.00 0.00 C ATOM 1330 CG PRO A 85 15.000 -6.557 76.849 1.00 0.00 C ATOM 1331 CD PRO A 85 14.228 -5.944 75.713 1.00 0.00 C ATOM 0 HA PRO A 85 14.482 -9.032 74.703 1.00 0.00 H new ATOM 0 HB2 PRO A 85 15.489 -8.602 77.257 1.00 0.00 H new ATOM 0 HB3 PRO A 85 16.299 -7.938 75.852 1.00 0.00 H new ATOM 0 HG2 PRO A 85 14.400 -6.584 77.758 1.00 0.00 H new ATOM 0 HG3 PRO A 85 15.893 -5.973 77.074 1.00 0.00 H new ATOM 0 HD2 PRO A 85 13.465 -5.254 76.072 1.00 0.00 H new ATOM 0 HD3 PRO A 85 14.878 -5.380 75.043 1.00 0.00 H new ATOM 1339 N SER A 86 13.619 -10.328 76.844 1.00 0.00 N ATOM 1340 CA SER A 86 12.753 -11.191 77.639 1.00 0.00 C ATOM 1341 C SER A 86 13.564 -11.977 78.665 1.00 0.00 C ATOM 1342 O SER A 86 14.792 -11.896 78.695 1.00 0.00 O ATOM 1343 CB SER A 86 11.987 -12.156 76.731 1.00 0.00 C ATOM 1344 OG SER A 86 10.768 -11.582 76.291 1.00 0.00 O ATOM 0 H SER A 86 14.567 -10.683 76.718 1.00 0.00 H new ATOM 0 HA SER A 86 12.041 -10.560 78.170 1.00 0.00 H new ATOM 0 HB2 SER A 86 12.602 -12.416 75.870 1.00 0.00 H new ATOM 0 HB3 SER A 86 11.784 -13.082 77.268 1.00 0.00 H new ATOM 0 HG SER A 86 10.865 -10.608 76.238 1.00 0.00 H new ATOM 1350 N SER A 87 12.868 -12.736 79.504 1.00 0.00 N ATOM 1351 CA SER A 87 13.521 -13.534 80.535 1.00 0.00 C ATOM 1352 C SER A 87 13.540 -15.010 80.150 1.00 0.00 C ATOM 1353 O SER A 87 12.744 -15.458 79.327 1.00 0.00 O ATOM 1354 CB SER A 87 12.808 -13.355 81.877 1.00 0.00 C ATOM 1355 OG SER A 87 13.616 -13.809 82.949 1.00 0.00 O ATOM 0 H SER A 87 11.851 -12.815 79.490 1.00 0.00 H new ATOM 0 HA SER A 87 14.550 -13.188 80.629 1.00 0.00 H new ATOM 0 HB2 SER A 87 12.561 -12.303 82.024 1.00 0.00 H new ATOM 0 HB3 SER A 87 11.867 -13.905 81.869 1.00 0.00 H new ATOM 0 HG SER A 87 13.138 -13.682 83.795 1.00 0.00 H new ATOM 1361 N GLY A 88 14.458 -15.760 80.751 1.00 0.00 N ATOM 1362 CA GLY A 88 14.566 -17.178 80.459 1.00 0.00 C ATOM 1363 C GLY A 88 15.685 -17.846 81.232 1.00 0.00 C ATOM 1364 O GLY A 88 16.318 -17.190 82.057 1.00 0.00 O ATOM 0 H GLY A 88 15.129 -15.411 81.435 1.00 0.00 H new ATOM 0 HA2 GLY A 88 13.622 -17.668 80.697 1.00 0.00 H new ATOM 0 HA3 GLY A 88 14.735 -17.314 79.391 1.00 0.00 H new TER 1368 GLY A 88 HETATM 1369 ZN ZN A 201 1.297 -4.549 4.310 1.00 0.00 ZN