USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 811 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 61 SER OG : rot 73:sc= -1.21 USER MOD Set 1.2: A 92 SER OG : rot -166:sc= 1.59 USER MOD Set 2.1: A 79 LYS NZ :NH3+ -127:sc= 0.726 (180deg=0) USER MOD Set 2.2: A 80 TYR OH : rot 180:sc= -0.463 USER MOD Set 3.1: A 29 THR OG1 : rot 62:sc= 1.13 USER MOD Set 3.2: A 43 TYR OH : rot 180:sc= -3.73! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.23) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.0279) USER MOD Single : A 15 SER OG : rot 60:sc= 0.172 USER MOD Single : A 16 GLN : amide:sc= -0.235 K(o=-0.24,f=-1.8!) USER MOD Single : A 20 MET CE :methyl -158:sc= -1.45 (180deg=-4.12!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0955) USER MOD Single : A 24 CYS SG : rot 98:sc= -3.2! USER MOD Single : A 32 CYS SG : rot 84:sc= 0.0953 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= -0.119 X(o=-0.12,f=-0.0026) USER MOD Single : A 45 ASN : amide:sc= -0.622 X(o=-0.62,f=-0.78) USER MOD Single : A 48 ASN : amide:sc= 0.0659 K(o=0.066,f=-2.9!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0011 USER MOD Single : A 51 THR OG1 : rot -62:sc= 1.22 USER MOD Single : A 53 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.159) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot -179:sc= -0.611 USER MOD Single : A 76 LYS NZ :NH3+ 164:sc= 0.0131 (180deg=-0.0999) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 6:sc= -0.151 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 94:sc= 0.0577 USER MOD Single : A 101 SER OG : rot -43:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.158 -9.940 -29.672 1.00 0.00 N ATOM 2 CA GLY A 1 -26.308 -9.700 -28.474 1.00 0.00 C ATOM 3 C GLY A 1 -26.831 -10.408 -27.239 1.00 0.00 C ATOM 4 O GLY A 1 -27.534 -9.813 -26.424 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.758 -9.435 -30.488 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.189 -10.959 -29.877 1.00 0.00 H new ATOM 0 H3 GLY A 1 -28.121 -9.594 -29.489 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.292 -10.038 -28.680 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.254 -8.629 -28.279 1.00 0.00 H new ATOM 10 N ILE A 2 -26.487 -11.686 -27.103 1.00 0.00 N ATOM 11 CA ILE A 2 -26.925 -12.477 -25.961 1.00 0.00 C ATOM 12 C ILE A 2 -26.133 -12.129 -24.699 1.00 0.00 C ATOM 13 O ILE A 2 -26.717 -11.907 -23.639 1.00 0.00 O ATOM 14 CB ILE A 2 -26.798 -13.990 -26.234 1.00 0.00 C ATOM 15 CG1 ILE A 2 -27.338 -14.330 -27.627 1.00 0.00 C ATOM 16 CG2 ILE A 2 -27.534 -14.784 -25.166 1.00 0.00 C ATOM 17 CD1 ILE A 2 -26.253 -14.627 -28.640 1.00 0.00 C ATOM 0 H ILE A 2 -25.906 -12.194 -27.770 1.00 0.00 H new ATOM 0 HA ILE A 2 -27.975 -12.232 -25.802 1.00 0.00 H new ATOM 0 HB ILE A 2 -25.743 -14.262 -26.200 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -27.999 -15.193 -27.551 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -27.942 -13.497 -27.987 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -27.435 -15.850 -25.372 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -27.106 -14.562 -24.188 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -28.589 -14.510 -25.171 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -26.708 -14.859 -29.603 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -25.605 -13.757 -28.745 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -25.663 -15.479 -28.302 1.00 0.00 H new ATOM 29 N PRO A 3 -24.790 -12.071 -24.789 1.00 0.00 N ATOM 30 CA PRO A 3 -23.942 -11.746 -23.642 1.00 0.00 C ATOM 31 C PRO A 3 -23.916 -10.250 -23.346 1.00 0.00 C ATOM 32 O PRO A 3 -24.129 -9.427 -24.235 1.00 0.00 O ATOM 33 CB PRO A 3 -22.563 -12.229 -24.083 1.00 0.00 C ATOM 34 CG PRO A 3 -22.570 -12.076 -25.565 1.00 0.00 C ATOM 35 CD PRO A 3 -23.991 -12.317 -26.010 1.00 0.00 C ATOM 0 HA PRO A 3 -24.299 -12.209 -22.722 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -21.770 -11.636 -23.627 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -22.394 -13.266 -23.792 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -22.236 -11.080 -25.854 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -21.890 -12.788 -26.032 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -24.277 -11.643 -26.818 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -24.128 -13.333 -26.379 1.00 0.00 H new ATOM 43 N GLU A 4 -23.653 -9.907 -22.089 1.00 0.00 N ATOM 44 CA GLU A 4 -23.599 -8.508 -21.675 1.00 0.00 C ATOM 45 C GLU A 4 -23.179 -8.389 -20.214 1.00 0.00 C ATOM 46 O GLU A 4 -22.395 -7.511 -19.853 1.00 0.00 O ATOM 47 CB GLU A 4 -24.961 -7.841 -21.888 1.00 0.00 C ATOM 48 CG GLU A 4 -24.914 -6.653 -22.836 1.00 0.00 C ATOM 49 CD GLU A 4 -24.569 -5.356 -22.129 1.00 0.00 C ATOM 50 OE1 GLU A 4 -25.492 -4.714 -21.584 1.00 0.00 O ATOM 51 OE2 GLU A 4 -23.377 -4.982 -22.122 1.00 0.00 O ATOM 0 H GLU A 4 -23.474 -10.576 -21.340 1.00 0.00 H new ATOM 0 HA GLU A 4 -22.854 -7.999 -22.287 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -25.661 -8.580 -22.278 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -25.350 -7.511 -20.924 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -24.177 -6.844 -23.616 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -25.880 -6.548 -23.329 1.00 0.00 H new ATOM 58 N PHE A 5 -23.705 -9.279 -19.377 1.00 0.00 N ATOM 59 CA PHE A 5 -23.384 -9.272 -17.956 1.00 0.00 C ATOM 60 C PHE A 5 -21.900 -9.544 -17.731 1.00 0.00 C ATOM 61 O PHE A 5 -21.493 -10.688 -17.531 1.00 0.00 O ATOM 62 CB PHE A 5 -24.222 -10.316 -17.217 1.00 0.00 C ATOM 63 CG PHE A 5 -25.704 -10.120 -17.377 1.00 0.00 C ATOM 64 CD1 PHE A 5 -26.363 -9.121 -16.680 1.00 0.00 C ATOM 65 CD2 PHE A 5 -26.435 -10.934 -18.227 1.00 0.00 C ATOM 66 CE1 PHE A 5 -27.724 -8.937 -16.826 1.00 0.00 C ATOM 67 CE2 PHE A 5 -27.797 -10.755 -18.377 1.00 0.00 C ATOM 68 CZ PHE A 5 -28.443 -9.756 -17.676 1.00 0.00 C ATOM 0 H PHE A 5 -24.355 -10.013 -19.659 1.00 0.00 H new ATOM 0 HA PHE A 5 -23.618 -8.283 -17.562 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -23.954 -11.308 -17.580 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -23.972 -10.286 -16.156 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -25.806 -8.478 -16.014 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -25.935 -11.717 -18.778 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -28.226 -8.154 -16.277 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -28.356 -11.396 -19.042 1.00 0.00 H new ATOM 0 HZ PHE A 5 -29.507 -9.615 -17.792 1.00 0.00 H new ATOM 78 N LYS A 6 -21.096 -8.486 -17.769 1.00 0.00 N ATOM 79 CA LYS A 6 -19.656 -8.613 -17.571 1.00 0.00 C ATOM 80 C LYS A 6 -19.078 -7.342 -16.957 1.00 0.00 C ATOM 81 O LYS A 6 -19.807 -6.395 -16.661 1.00 0.00 O ATOM 82 CB LYS A 6 -18.963 -8.914 -18.900 1.00 0.00 C ATOM 83 CG LYS A 6 -19.321 -7.937 -20.009 1.00 0.00 C ATOM 84 CD LYS A 6 -18.158 -7.014 -20.339 1.00 0.00 C ATOM 85 CE LYS A 6 -18.171 -6.605 -21.803 1.00 0.00 C ATOM 86 NZ LYS A 6 -19.519 -6.151 -22.241 1.00 0.00 N ATOM 0 H LYS A 6 -21.417 -7.532 -17.935 1.00 0.00 H new ATOM 0 HA LYS A 6 -19.479 -9.439 -16.883 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -17.884 -8.899 -18.749 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -19.227 -9.923 -19.217 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -19.612 -8.490 -20.902 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -20.183 -7.343 -19.707 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -18.208 -6.125 -19.711 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -17.218 -7.515 -20.108 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -17.449 -5.804 -21.963 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -17.854 -7.447 -22.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -19.438 -5.649 -23.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -20.143 -6.975 -22.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -19.919 -5.511 -21.525 1.00 0.00 H new ATOM 100 N GLN A 7 -17.761 -7.327 -16.771 1.00 0.00 N ATOM 101 CA GLN A 7 -17.082 -6.173 -16.194 1.00 0.00 C ATOM 102 C GLN A 7 -17.578 -5.903 -14.777 1.00 0.00 C ATOM 103 O GLN A 7 -18.591 -5.231 -14.581 1.00 0.00 O ATOM 104 CB GLN A 7 -17.297 -4.938 -17.070 1.00 0.00 C ATOM 105 CG GLN A 7 -16.017 -4.176 -17.371 1.00 0.00 C ATOM 106 CD GLN A 7 -16.060 -2.742 -16.881 1.00 0.00 C ATOM 107 OE1 GLN A 7 -17.022 -2.015 -17.133 1.00 0.00 O ATOM 108 NE2 GLN A 7 -15.015 -2.326 -16.176 1.00 0.00 N ATOM 0 H GLN A 7 -17.143 -8.102 -17.012 1.00 0.00 H new ATOM 0 HA GLN A 7 -16.016 -6.394 -16.149 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -17.757 -5.245 -18.009 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -18.000 -4.269 -16.574 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -15.176 -4.689 -16.906 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -15.839 -4.183 -18.446 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -14.239 -2.962 -15.990 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -14.988 -1.371 -15.820 1.00 0.00 H new ATOM 117 N LYS A 8 -16.858 -6.429 -13.792 1.00 0.00 N ATOM 118 CA LYS A 8 -17.224 -6.242 -12.393 1.00 0.00 C ATOM 119 C LYS A 8 -17.235 -4.763 -12.025 1.00 0.00 C ATOM 120 O LYS A 8 -18.294 -4.174 -11.806 1.00 0.00 O ATOM 121 CB LYS A 8 -16.253 -6.998 -11.485 1.00 0.00 C ATOM 122 CG LYS A 8 -16.642 -8.452 -11.253 1.00 0.00 C ATOM 123 CD LYS A 8 -15.483 -9.394 -11.538 1.00 0.00 C ATOM 124 CE LYS A 8 -15.410 -10.513 -10.512 1.00 0.00 C ATOM 125 NZ LYS A 8 -16.156 -11.723 -10.956 1.00 0.00 N ATOM 0 H LYS A 8 -16.017 -6.988 -13.937 1.00 0.00 H new ATOM 0 HA LYS A 8 -18.229 -6.640 -12.251 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -15.256 -6.963 -11.924 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -16.196 -6.488 -10.523 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -16.971 -8.581 -10.222 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -17.487 -8.710 -11.892 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -15.595 -9.820 -12.535 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -14.548 -8.834 -11.534 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -14.367 -10.775 -10.334 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -15.817 -10.163 -9.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -16.082 -12.463 -10.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -17.157 -11.480 -11.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -15.751 -12.073 -11.848 1.00 0.00 H new ATOM 139 N ALA A 9 -16.049 -4.166 -11.960 1.00 0.00 N ATOM 140 CA ALA A 9 -15.921 -2.754 -11.620 1.00 0.00 C ATOM 141 C ALA A 9 -16.481 -2.470 -10.230 1.00 0.00 C ATOM 142 O ALA A 9 -17.671 -2.198 -10.074 1.00 0.00 O ATOM 143 CB ALA A 9 -16.626 -1.896 -12.660 1.00 0.00 C ATOM 0 H ALA A 9 -15.163 -4.639 -12.138 1.00 0.00 H new ATOM 0 HA ALA A 9 -14.861 -2.502 -11.614 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -16.523 -0.844 -12.394 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -16.178 -2.069 -13.639 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -17.683 -2.160 -12.693 1.00 0.00 H new ATOM 149 N LEU A 10 -15.611 -2.533 -9.224 1.00 0.00 N ATOM 150 CA LEU A 10 -16.013 -2.282 -7.844 1.00 0.00 C ATOM 151 C LEU A 10 -17.007 -3.335 -7.360 1.00 0.00 C ATOM 152 O LEU A 10 -16.649 -4.240 -6.608 1.00 0.00 O ATOM 153 CB LEU A 10 -16.622 -0.883 -7.709 1.00 0.00 C ATOM 154 CG LEU A 10 -15.638 0.213 -7.302 1.00 0.00 C ATOM 155 CD1 LEU A 10 -15.149 -0.008 -5.879 1.00 0.00 C ATOM 156 CD2 LEU A 10 -14.464 0.261 -8.269 1.00 0.00 C ATOM 0 H LEU A 10 -14.622 -2.756 -9.340 1.00 0.00 H new ATOM 0 HA LEU A 10 -15.121 -2.342 -7.220 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -17.076 -0.607 -8.661 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -17.424 -0.922 -6.972 1.00 0.00 H new ATOM 0 HG LEU A 10 -16.156 1.171 -7.341 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -14.449 0.783 -5.608 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -15.998 0.009 -5.196 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -14.649 -0.974 -5.812 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -13.773 1.047 -7.964 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -13.947 -0.699 -8.262 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -14.829 0.469 -9.275 1.00 0.00 H new ATOM 168 N VAL A 11 -18.257 -3.209 -7.798 1.00 0.00 N ATOM 169 CA VAL A 11 -19.307 -4.149 -7.411 1.00 0.00 C ATOM 170 C VAL A 11 -19.714 -3.950 -5.955 1.00 0.00 C ATOM 171 O VAL A 11 -20.859 -3.605 -5.661 1.00 0.00 O ATOM 172 CB VAL A 11 -18.867 -5.612 -7.614 1.00 0.00 C ATOM 173 CG1 VAL A 11 -20.057 -6.550 -7.482 1.00 0.00 C ATOM 174 CG2 VAL A 11 -18.190 -5.784 -8.967 1.00 0.00 C ATOM 0 H VAL A 11 -18.568 -2.465 -8.422 1.00 0.00 H new ATOM 0 HA VAL A 11 -20.161 -3.946 -8.058 1.00 0.00 H new ATOM 0 HB VAL A 11 -18.145 -5.866 -6.838 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -19.727 -7.579 -7.628 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -20.493 -6.447 -6.489 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -20.804 -6.298 -8.234 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -17.886 -6.823 -9.092 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -18.887 -5.511 -9.760 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -17.312 -5.141 -9.019 1.00 0.00 H new ATOM 184 N ALA A 12 -18.770 -4.173 -5.045 1.00 0.00 N ATOM 185 CA ALA A 12 -19.030 -4.020 -3.616 1.00 0.00 C ATOM 186 C ALA A 12 -20.010 -5.077 -3.119 1.00 0.00 C ATOM 187 O ALA A 12 -20.703 -5.717 -3.911 1.00 0.00 O ATOM 188 CB ALA A 12 -19.561 -2.625 -3.321 1.00 0.00 C ATOM 0 H ALA A 12 -17.818 -4.460 -5.271 1.00 0.00 H new ATOM 0 HA ALA A 12 -18.088 -4.158 -3.085 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -19.750 -2.526 -2.252 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -18.825 -1.883 -3.629 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -20.489 -2.465 -3.870 1.00 0.00 H new ATOM 194 N LYS A 13 -20.062 -5.254 -1.804 1.00 0.00 N ATOM 195 CA LYS A 13 -20.957 -6.234 -1.199 1.00 0.00 C ATOM 196 C LYS A 13 -20.982 -6.083 0.319 1.00 0.00 C ATOM 197 O LYS A 13 -22.042 -6.161 0.944 1.00 0.00 O ATOM 198 CB LYS A 13 -20.523 -7.652 -1.574 1.00 0.00 C ATOM 199 CG LYS A 13 -21.633 -8.681 -1.455 1.00 0.00 C ATOM 200 CD LYS A 13 -21.474 -9.534 -0.204 1.00 0.00 C ATOM 201 CE LYS A 13 -21.760 -10.999 -0.489 1.00 0.00 C ATOM 202 NZ LYS A 13 -20.670 -11.636 -1.277 1.00 0.00 N ATOM 0 H LYS A 13 -19.495 -4.732 -1.136 1.00 0.00 H new ATOM 0 HA LYS A 13 -21.962 -6.056 -1.581 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -20.150 -7.650 -2.598 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -19.693 -7.950 -0.933 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -22.598 -8.175 -1.431 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -21.631 -9.322 -2.336 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -20.461 -9.429 0.183 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -22.150 -9.174 0.571 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -21.887 -11.534 0.452 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -22.700 -11.086 -1.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -21.061 -12.417 -1.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -20.242 -10.931 -1.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -19.944 -12.005 -0.630 1.00 0.00 H new ATOM 216 N VAL A 14 -19.810 -5.867 0.907 1.00 0.00 N ATOM 217 CA VAL A 14 -19.696 -5.706 2.350 1.00 0.00 C ATOM 218 C VAL A 14 -18.382 -5.019 2.720 1.00 0.00 C ATOM 219 O VAL A 14 -17.452 -5.657 3.213 1.00 0.00 O ATOM 220 CB VAL A 14 -19.785 -7.065 3.074 1.00 0.00 C ATOM 221 CG1 VAL A 14 -18.681 -7.998 2.605 1.00 0.00 C ATOM 222 CG2 VAL A 14 -19.728 -6.874 4.583 1.00 0.00 C ATOM 0 H VAL A 14 -18.925 -5.799 0.405 1.00 0.00 H new ATOM 0 HA VAL A 14 -20.530 -5.082 2.672 1.00 0.00 H new ATOM 0 HB VAL A 14 -20.743 -7.523 2.825 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -18.763 -8.951 3.129 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -18.777 -8.164 1.532 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -17.711 -7.549 2.818 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -19.792 -7.844 5.075 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -18.789 -6.391 4.853 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -20.562 -6.249 4.902 1.00 0.00 H new ATOM 232 N SER A 15 -18.316 -3.713 2.477 1.00 0.00 N ATOM 233 CA SER A 15 -17.119 -2.932 2.782 1.00 0.00 C ATOM 234 C SER A 15 -15.869 -3.596 2.207 1.00 0.00 C ATOM 235 O SER A 15 -14.953 -3.965 2.944 1.00 0.00 O ATOM 236 CB SER A 15 -16.968 -2.751 4.295 1.00 0.00 C ATOM 237 OG SER A 15 -17.576 -3.816 5.003 1.00 0.00 O ATOM 0 H SER A 15 -19.078 -3.172 2.069 1.00 0.00 H new ATOM 0 HA SER A 15 -17.232 -1.952 2.318 1.00 0.00 H new ATOM 0 HB2 SER A 15 -15.910 -2.696 4.553 1.00 0.00 H new ATOM 0 HB3 SER A 15 -17.419 -1.806 4.597 1.00 0.00 H new ATOM 0 HG SER A 15 -17.158 -4.663 4.741 1.00 0.00 H new ATOM 243 N GLN A 16 -15.840 -3.747 0.887 1.00 0.00 N ATOM 244 CA GLN A 16 -14.705 -4.366 0.213 1.00 0.00 C ATOM 245 C GLN A 16 -13.462 -3.489 0.322 1.00 0.00 C ATOM 246 O GLN A 16 -12.430 -3.920 0.837 1.00 0.00 O ATOM 247 CB GLN A 16 -15.037 -4.621 -1.259 1.00 0.00 C ATOM 248 CG GLN A 16 -15.852 -5.883 -1.488 1.00 0.00 C ATOM 249 CD GLN A 16 -15.601 -6.501 -2.850 1.00 0.00 C ATOM 250 OE1 GLN A 16 -14.529 -6.336 -3.431 1.00 0.00 O ATOM 251 NE2 GLN A 16 -16.594 -7.218 -3.366 1.00 0.00 N ATOM 0 H GLN A 16 -16.590 -3.449 0.263 1.00 0.00 H new ATOM 0 HA GLN A 16 -14.499 -5.318 0.702 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -15.588 -3.766 -1.652 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -14.108 -4.690 -1.826 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -15.612 -6.611 -0.713 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -16.912 -5.649 -1.389 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -17.466 -7.328 -2.848 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -16.484 -7.658 -4.280 1.00 0.00 H new ATOM 260 N ARG A 17 -13.566 -2.258 -0.168 1.00 0.00 N ATOM 261 CA ARG A 17 -12.449 -1.322 -0.125 1.00 0.00 C ATOM 262 C ARG A 17 -12.036 -1.031 1.315 1.00 0.00 C ATOM 263 O ARG A 17 -10.870 -0.750 1.591 1.00 0.00 O ATOM 264 CB ARG A 17 -12.818 -0.020 -0.839 1.00 0.00 C ATOM 265 CG ARG A 17 -13.952 0.742 -0.168 1.00 0.00 C ATOM 266 CD ARG A 17 -13.548 2.170 0.165 1.00 0.00 C ATOM 267 NE ARG A 17 -14.562 2.853 0.964 1.00 0.00 N ATOM 268 CZ ARG A 17 -15.674 3.380 0.457 1.00 0.00 C ATOM 269 NH1 ARG A 17 -15.921 3.302 -0.844 1.00 0.00 N ATOM 270 NH2 ARG A 17 -16.544 3.984 1.256 1.00 0.00 N ATOM 0 H ARG A 17 -14.412 -1.886 -0.599 1.00 0.00 H new ATOM 0 HA ARG A 17 -11.604 -1.780 -0.638 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -11.938 0.621 -0.885 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -13.102 -0.247 -1.867 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -14.822 0.753 -0.825 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -14.248 0.225 0.745 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -12.603 2.162 0.708 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -13.380 2.724 -0.759 1.00 0.00 H new ATOM 0 HE ARG A 17 -14.409 2.931 1.969 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -15.257 2.836 -1.462 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -16.775 3.708 -1.226 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -16.360 4.044 2.258 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -17.397 4.388 0.869 1.00 0.00 H new ATOM 284 N GLU A 18 -12.998 -1.097 2.230 1.00 0.00 N ATOM 285 CA GLU A 18 -12.732 -0.839 3.639 1.00 0.00 C ATOM 286 C GLU A 18 -11.905 -1.968 4.252 1.00 0.00 C ATOM 287 O GLU A 18 -10.982 -1.725 5.029 1.00 0.00 O ATOM 288 CB GLU A 18 -14.044 -0.672 4.408 1.00 0.00 C ATOM 289 CG GLU A 18 -14.101 0.593 5.247 1.00 0.00 C ATOM 290 CD GLU A 18 -14.151 1.852 4.403 1.00 0.00 C ATOM 291 OE1 GLU A 18 -13.143 2.159 3.734 1.00 0.00 O ATOM 292 OE2 GLU A 18 -15.201 2.531 4.412 1.00 0.00 O ATOM 0 H GLU A 18 -13.969 -1.327 2.020 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.160 0.086 3.712 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.872 -0.666 3.699 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -14.187 -1.535 5.058 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -14.979 0.557 5.892 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.228 0.632 5.899 1.00 0.00 H new ATOM 299 N GLU A 19 -12.244 -3.202 3.894 1.00 0.00 N ATOM 300 CA GLU A 19 -11.533 -4.367 4.408 1.00 0.00 C ATOM 301 C GLU A 19 -10.175 -4.525 3.727 1.00 0.00 C ATOM 302 O GLU A 19 -9.259 -5.125 4.286 1.00 0.00 O ATOM 303 CB GLU A 19 -12.368 -5.632 4.200 1.00 0.00 C ATOM 304 CG GLU A 19 -13.722 -5.588 4.892 1.00 0.00 C ATOM 305 CD GLU A 19 -13.737 -6.367 6.193 1.00 0.00 C ATOM 306 OE1 GLU A 19 -13.287 -7.532 6.194 1.00 0.00 O ATOM 307 OE2 GLU A 19 -14.200 -5.811 7.212 1.00 0.00 O ATOM 0 H GLU A 19 -13.005 -3.421 3.251 1.00 0.00 H new ATOM 0 HA GLU A 19 -11.368 -4.217 5.475 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -12.520 -5.785 3.132 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.808 -6.492 4.569 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -13.991 -4.551 5.091 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -14.482 -5.991 4.222 1.00 0.00 H new ATOM 314 N MET A 20 -10.054 -3.985 2.518 1.00 0.00 N ATOM 315 CA MET A 20 -8.808 -4.069 1.766 1.00 0.00 C ATOM 316 C MET A 20 -7.737 -3.165 2.371 1.00 0.00 C ATOM 317 O MET A 20 -6.591 -3.580 2.550 1.00 0.00 O ATOM 318 CB MET A 20 -9.041 -3.691 0.303 1.00 0.00 C ATOM 319 CG MET A 20 -9.750 -4.771 -0.499 1.00 0.00 C ATOM 320 SD MET A 20 -8.761 -6.268 -0.672 1.00 0.00 S ATOM 321 CE MET A 20 -7.196 -5.582 -1.205 1.00 0.00 C ATOM 0 H MET A 20 -10.803 -3.485 2.039 1.00 0.00 H new ATOM 0 HA MET A 20 -8.457 -5.100 1.817 1.00 0.00 H new ATOM 0 HB2 MET A 20 -9.630 -2.775 0.263 1.00 0.00 H new ATOM 0 HB3 MET A 20 -8.081 -3.474 -0.165 1.00 0.00 H new ATOM 0 HG2 MET A 20 -10.694 -5.018 -0.014 1.00 0.00 H new ATOM 0 HG3 MET A 20 -9.992 -4.384 -1.489 1.00 0.00 H new ATOM 0 HE1 MET A 20 -6.618 -6.350 -1.719 1.00 0.00 H new ATOM 0 HE2 MET A 20 -7.376 -4.749 -1.884 1.00 0.00 H new ATOM 0 HE3 MET A 20 -6.639 -5.229 -0.337 1.00 0.00 H new ATOM 331 N VAL A 21 -8.114 -1.929 2.682 1.00 0.00 N ATOM 332 CA VAL A 21 -7.177 -0.975 3.265 1.00 0.00 C ATOM 333 C VAL A 21 -6.702 -1.442 4.636 1.00 0.00 C ATOM 334 O VAL A 21 -5.547 -1.239 5.007 1.00 0.00 O ATOM 335 CB VAL A 21 -7.801 0.432 3.392 1.00 0.00 C ATOM 336 CG1 VAL A 21 -8.355 0.889 2.055 1.00 0.00 C ATOM 337 CG2 VAL A 21 -8.889 0.459 4.456 1.00 0.00 C ATOM 0 H VAL A 21 -9.057 -1.566 2.541 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.324 -0.918 2.589 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.014 1.121 3.699 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.791 1.882 2.162 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.551 0.923 1.320 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.122 0.190 1.721 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.309 1.463 4.522 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.676 -0.247 4.190 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.463 0.180 5.420 1.00 0.00 H new ATOM 347 N LYS A 22 -7.601 -2.072 5.382 1.00 0.00 N ATOM 348 CA LYS A 22 -7.270 -2.566 6.710 1.00 0.00 C ATOM 349 C LYS A 22 -6.189 -3.640 6.632 1.00 0.00 C ATOM 350 O LYS A 22 -5.221 -3.621 7.393 1.00 0.00 O ATOM 351 CB LYS A 22 -8.514 -3.126 7.400 1.00 0.00 C ATOM 352 CG LYS A 22 -9.693 -2.167 7.405 1.00 0.00 C ATOM 353 CD LYS A 22 -10.008 -1.673 8.808 1.00 0.00 C ATOM 354 CE LYS A 22 -11.304 -0.880 8.842 1.00 0.00 C ATOM 355 NZ LYS A 22 -11.933 -0.901 10.192 1.00 0.00 N ATOM 0 H LYS A 22 -8.562 -2.252 5.090 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.889 -1.730 7.296 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.810 -4.049 6.902 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.263 -3.385 8.429 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.473 -1.316 6.760 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.569 -2.665 6.989 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.083 -2.523 9.486 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.189 -1.050 9.168 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.106 0.151 8.550 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.000 -1.291 8.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.814 -0.349 10.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.145 -1.883 10.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.279 -0.486 10.886 1.00 0.00 H new ATOM 369 N LYS A 23 -6.363 -4.575 5.702 1.00 0.00 N ATOM 370 CA LYS A 23 -5.404 -5.659 5.518 1.00 0.00 C ATOM 371 C LYS A 23 -4.015 -5.111 5.204 1.00 0.00 C ATOM 372 O LYS A 23 -3.005 -5.735 5.526 1.00 0.00 O ATOM 373 CB LYS A 23 -5.863 -6.590 4.394 1.00 0.00 C ATOM 374 CG LYS A 23 -6.754 -7.725 4.869 1.00 0.00 C ATOM 375 CD LYS A 23 -6.862 -8.825 3.824 1.00 0.00 C ATOM 376 CE LYS A 23 -7.478 -10.088 4.405 1.00 0.00 C ATOM 377 NZ LYS A 23 -6.535 -10.801 5.311 1.00 0.00 N ATOM 0 H LYS A 23 -7.159 -4.603 5.065 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.350 -6.223 6.449 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.400 -6.006 3.647 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.986 -7.010 3.901 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.355 -8.139 5.795 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.748 -7.338 5.096 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.467 -8.475 2.988 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.872 -9.051 3.428 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.384 -9.831 4.954 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.775 -10.753 3.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.899 -11.754 5.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.604 -10.875 4.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.443 -10.272 6.202 1.00 0.00 H new ATOM 391 N CYS A 24 -3.974 -3.939 4.578 1.00 0.00 N ATOM 392 CA CYS A 24 -2.710 -3.308 4.225 1.00 0.00 C ATOM 393 C CYS A 24 -1.942 -2.900 5.478 1.00 0.00 C ATOM 394 O CYS A 24 -0.725 -3.070 5.557 1.00 0.00 O ATOM 395 CB CYS A 24 -2.956 -2.085 3.333 1.00 0.00 C ATOM 396 SG CYS A 24 -1.486 -1.077 3.018 1.00 0.00 S ATOM 0 H CYS A 24 -4.802 -3.409 4.306 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.109 -4.031 3.673 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.361 -2.423 2.379 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.717 -1.459 3.798 1.00 0.00 H new ATOM 0 HG CYS A 24 -0.983 -1.393 1.862 1.00 0.00 H new ATOM 402 N LEU A 25 -2.661 -2.359 6.456 1.00 0.00 N ATOM 403 CA LEU A 25 -2.044 -1.929 7.705 1.00 0.00 C ATOM 404 C LEU A 25 -1.367 -3.097 8.414 1.00 0.00 C ATOM 405 O LEU A 25 -0.280 -2.950 8.972 1.00 0.00 O ATOM 406 CB LEU A 25 -3.088 -1.297 8.625 1.00 0.00 C ATOM 407 CG LEU A 25 -2.524 -0.315 9.654 1.00 0.00 C ATOM 408 CD1 LEU A 25 -3.378 0.941 9.722 1.00 0.00 C ATOM 409 CD2 LEU A 25 -2.428 -0.977 11.021 1.00 0.00 C ATOM 0 H LEU A 25 -3.669 -2.208 6.408 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.284 -1.186 7.464 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.825 -0.777 8.013 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.616 -2.091 9.153 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.521 -0.025 9.341 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.960 1.626 10.460 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.393 1.424 8.745 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.395 0.674 10.010 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.025 -0.266 11.742 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.420 -1.296 11.341 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.770 -1.844 10.960 1.00 0.00 H new ATOM 421 N GLY A 26 -2.015 -4.258 8.389 1.00 0.00 N ATOM 422 CA GLY A 26 -1.457 -5.432 9.038 1.00 0.00 C ATOM 423 C GLY A 26 -0.323 -6.055 8.247 1.00 0.00 C ATOM 424 O GLY A 26 0.753 -6.313 8.788 1.00 0.00 O ATOM 0 H GLY A 26 -2.915 -4.407 7.932 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.095 -5.157 10.029 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.244 -6.172 9.181 1.00 0.00 H new ATOM 428 N GLU A 27 -0.562 -6.302 6.964 1.00 0.00 N ATOM 429 CA GLU A 27 0.447 -6.904 6.098 1.00 0.00 C ATOM 430 C GLU A 27 1.732 -6.084 6.097 1.00 0.00 C ATOM 431 O GLU A 27 2.827 -6.623 6.269 1.00 0.00 O ATOM 432 CB GLU A 27 -0.090 -7.033 4.671 1.00 0.00 C ATOM 433 CG GLU A 27 -0.809 -8.346 4.407 1.00 0.00 C ATOM 434 CD GLU A 27 -2.112 -8.158 3.657 1.00 0.00 C ATOM 435 OE1 GLU A 27 -2.281 -7.098 3.016 1.00 0.00 O ATOM 436 OE2 GLU A 27 -2.964 -9.071 3.706 1.00 0.00 O ATOM 0 H GLU A 27 -1.446 -6.095 6.500 1.00 0.00 H new ATOM 0 HA GLU A 27 0.675 -7.896 6.487 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.774 -6.208 4.473 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.739 -6.935 3.970 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.156 -9.004 3.834 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.009 -8.843 5.356 1.00 0.00 H new ATOM 443 N LEU A 28 1.595 -4.778 5.897 1.00 0.00 N ATOM 444 CA LEU A 28 2.749 -3.885 5.869 1.00 0.00 C ATOM 445 C LEU A 28 3.510 -3.928 7.190 1.00 0.00 C ATOM 446 O LEU A 28 4.718 -3.698 7.224 1.00 0.00 O ATOM 447 CB LEU A 28 2.312 -2.454 5.559 1.00 0.00 C ATOM 448 CG LEU A 28 2.182 -2.128 4.070 1.00 0.00 C ATOM 449 CD1 LEU A 28 1.673 -0.709 3.877 1.00 0.00 C ATOM 450 CD2 LEU A 28 3.517 -2.319 3.363 1.00 0.00 C ATOM 0 H LEU A 28 0.698 -4.314 5.752 1.00 0.00 H new ATOM 0 HA LEU A 28 3.417 -4.228 5.079 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.352 -2.270 6.041 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.030 -1.766 6.005 1.00 0.00 H new ATOM 0 HG LEU A 28 1.459 -2.814 3.629 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.587 -0.495 2.812 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.695 -0.606 4.348 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.371 -0.007 4.333 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.405 -2.083 2.305 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.261 -1.657 3.806 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.841 -3.354 3.471 1.00 0.00 H new ATOM 462 N THR A 29 2.802 -4.226 8.275 1.00 0.00 N ATOM 463 CA THR A 29 3.432 -4.302 9.588 1.00 0.00 C ATOM 464 C THR A 29 4.484 -5.404 9.609 1.00 0.00 C ATOM 465 O THR A 29 5.573 -5.227 10.155 1.00 0.00 O ATOM 466 CB THR A 29 2.385 -4.556 10.676 1.00 0.00 C ATOM 467 OG1 THR A 29 1.401 -3.538 10.673 1.00 0.00 O ATOM 468 CG2 THR A 29 2.973 -4.621 12.068 1.00 0.00 C ATOM 0 H THR A 29 1.800 -4.417 8.272 1.00 0.00 H new ATOM 0 HA THR A 29 3.917 -3.347 9.789 1.00 0.00 H new ATOM 0 HB THR A 29 1.950 -5.526 10.437 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.935 -3.536 9.811 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.178 -4.803 12.791 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.701 -5.431 12.118 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.465 -3.676 12.300 1.00 0.00 H new ATOM 476 N GLU A 30 4.153 -6.539 9.001 1.00 0.00 N ATOM 477 CA GLU A 30 5.070 -7.670 8.942 1.00 0.00 C ATOM 478 C GLU A 30 6.341 -7.295 8.186 1.00 0.00 C ATOM 479 O GLU A 30 7.443 -7.375 8.726 1.00 0.00 O ATOM 480 CB GLU A 30 4.397 -8.867 8.270 1.00 0.00 C ATOM 481 CG GLU A 30 3.546 -9.698 9.216 1.00 0.00 C ATOM 482 CD GLU A 30 2.241 -10.145 8.588 1.00 0.00 C ATOM 483 OE1 GLU A 30 2.215 -10.351 7.356 1.00 0.00 O ATOM 484 OE2 GLU A 30 1.245 -10.290 9.328 1.00 0.00 O ATOM 0 H GLU A 30 3.256 -6.699 8.542 1.00 0.00 H new ATOM 0 HA GLU A 30 5.340 -7.943 9.962 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.772 -8.509 7.452 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.164 -9.504 7.830 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.112 -10.575 9.532 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.333 -9.116 10.113 1.00 0.00 H new ATOM 491 N VAL A 31 6.176 -6.878 6.931 1.00 0.00 N ATOM 492 CA VAL A 31 7.311 -6.488 6.101 1.00 0.00 C ATOM 493 C VAL A 31 8.145 -5.410 6.787 1.00 0.00 C ATOM 494 O VAL A 31 9.371 -5.386 6.664 1.00 0.00 O ATOM 495 CB VAL A 31 6.849 -5.972 4.724 1.00 0.00 C ATOM 496 CG1 VAL A 31 5.848 -4.845 4.891 1.00 0.00 C ATOM 497 CG2 VAL A 31 8.038 -5.523 3.883 1.00 0.00 C ATOM 0 H VAL A 31 5.270 -6.802 6.470 1.00 0.00 H new ATOM 0 HA VAL A 31 7.922 -7.379 5.957 1.00 0.00 H new ATOM 0 HB VAL A 31 6.360 -6.791 4.198 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.531 -4.491 3.910 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.981 -5.207 5.443 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.311 -4.025 5.440 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.685 -5.163 2.916 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.566 -4.720 4.398 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.715 -6.364 3.732 1.00 0.00 H new ATOM 507 N CYS A 32 7.474 -4.522 7.513 1.00 0.00 N ATOM 508 CA CYS A 32 8.152 -3.444 8.223 1.00 0.00 C ATOM 509 C CYS A 32 9.141 -4.008 9.238 1.00 0.00 C ATOM 510 O CYS A 32 10.318 -3.641 9.244 1.00 0.00 O ATOM 511 CB CYS A 32 7.132 -2.551 8.928 1.00 0.00 C ATOM 512 SG CYS A 32 6.433 -1.257 7.876 1.00 0.00 S ATOM 0 H CYS A 32 6.460 -4.528 7.625 1.00 0.00 H new ATOM 0 HA CYS A 32 8.702 -2.847 7.495 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.321 -3.173 9.308 1.00 0.00 H new ATOM 0 HB3 CYS A 32 7.608 -2.085 9.791 1.00 0.00 H new ATOM 0 HG CYS A 32 5.447 -1.746 7.184 1.00 0.00 H new ATOM 518 N LYS A 33 8.660 -4.904 10.093 1.00 0.00 N ATOM 519 CA LYS A 33 9.502 -5.521 11.113 1.00 0.00 C ATOM 520 C LYS A 33 10.685 -6.245 10.477 1.00 0.00 C ATOM 521 O LYS A 33 11.835 -6.032 10.864 1.00 0.00 O ATOM 522 CB LYS A 33 8.686 -6.503 11.956 1.00 0.00 C ATOM 523 CG LYS A 33 7.346 -5.949 12.411 1.00 0.00 C ATOM 524 CD LYS A 33 7.045 -6.328 13.852 1.00 0.00 C ATOM 525 CE LYS A 33 5.774 -5.658 14.350 1.00 0.00 C ATOM 526 NZ LYS A 33 5.522 -5.945 15.789 1.00 0.00 N ATOM 0 H LYS A 33 7.690 -5.220 10.100 1.00 0.00 H new ATOM 0 HA LYS A 33 9.884 -4.729 11.758 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.516 -7.411 11.378 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.268 -6.787 12.832 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.348 -4.863 12.312 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.556 -6.327 11.762 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.942 -7.410 13.931 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.882 -6.040 14.488 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.850 -4.581 14.203 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.926 -6.002 13.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.647 -5.470 16.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.424 -6.971 15.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.319 -5.594 16.358 1.00 0.00 H new ATOM 540 N SER A 34 10.395 -7.099 9.501 1.00 0.00 N ATOM 541 CA SER A 34 11.436 -7.854 8.810 1.00 0.00 C ATOM 542 C SER A 34 12.490 -6.919 8.225 1.00 0.00 C ATOM 543 O SER A 34 13.664 -7.277 8.120 1.00 0.00 O ATOM 544 CB SER A 34 10.824 -8.710 7.699 1.00 0.00 C ATOM 545 OG SER A 34 11.581 -9.887 7.487 1.00 0.00 O ATOM 0 H SER A 34 9.448 -7.286 9.170 1.00 0.00 H new ATOM 0 HA SER A 34 11.919 -8.507 9.537 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.800 -8.975 7.962 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.777 -8.133 6.775 1.00 0.00 H new ATOM 0 HG SER A 34 11.168 -10.417 6.774 1.00 0.00 H new ATOM 551 N LEU A 35 12.063 -5.719 7.848 1.00 0.00 N ATOM 552 CA LEU A 35 12.969 -4.730 7.277 1.00 0.00 C ATOM 553 C LEU A 35 13.899 -4.165 8.346 1.00 0.00 C ATOM 554 O LEU A 35 15.020 -3.750 8.051 1.00 0.00 O ATOM 555 CB LEU A 35 12.173 -3.595 6.626 1.00 0.00 C ATOM 556 CG LEU A 35 11.707 -3.867 5.196 1.00 0.00 C ATOM 557 CD1 LEU A 35 10.885 -2.699 4.671 1.00 0.00 C ATOM 558 CD2 LEU A 35 12.900 -4.134 4.292 1.00 0.00 C ATOM 0 H LEU A 35 11.095 -5.408 7.928 1.00 0.00 H new ATOM 0 HA LEU A 35 13.575 -5.223 6.517 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.299 -3.385 7.243 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.787 -2.695 6.626 1.00 0.00 H new ATOM 0 HG LEU A 35 11.074 -4.754 5.201 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.562 -2.911 3.652 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.011 -2.555 5.306 1.00 0.00 H new ATOM 0 HD13 LEU A 35 11.492 -1.794 4.679 1.00 0.00 H new ATOM 0 HD21 LEU A 35 12.552 -4.326 3.277 1.00 0.00 H new ATOM 0 HD22 LEU A 35 13.558 -3.265 4.292 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.447 -5.003 4.658 1.00 0.00 H new ATOM 570 N GLY A 36 13.425 -4.153 9.588 1.00 0.00 N ATOM 571 CA GLY A 36 14.227 -3.638 10.682 1.00 0.00 C ATOM 572 C GLY A 36 15.274 -4.628 11.158 1.00 0.00 C ATOM 573 O GLY A 36 16.279 -4.241 11.753 1.00 0.00 O ATOM 0 H GLY A 36 12.500 -4.491 9.856 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.720 -2.719 10.364 1.00 0.00 H new ATOM 0 HA3 GLY A 36 13.574 -3.378 11.515 1.00 0.00 H new ATOM 577 N LYS A 37 15.037 -5.911 10.896 1.00 0.00 N ATOM 578 CA LYS A 37 15.968 -6.957 11.303 1.00 0.00 C ATOM 579 C LYS A 37 17.167 -7.020 10.360 1.00 0.00 C ATOM 580 O LYS A 37 18.300 -7.220 10.796 1.00 0.00 O ATOM 581 CB LYS A 37 15.260 -8.312 11.338 1.00 0.00 C ATOM 582 CG LYS A 37 14.307 -8.470 12.512 1.00 0.00 C ATOM 583 CD LYS A 37 14.364 -9.876 13.092 1.00 0.00 C ATOM 584 CE LYS A 37 13.381 -10.804 12.397 1.00 0.00 C ATOM 585 NZ LYS A 37 12.939 -11.912 13.289 1.00 0.00 N ATOM 0 H LYS A 37 14.210 -6.250 10.405 1.00 0.00 H new ATOM 0 HA LYS A 37 16.330 -6.717 12.303 1.00 0.00 H new ATOM 0 HB2 LYS A 37 14.705 -8.447 10.410 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.009 -9.103 11.380 1.00 0.00 H new ATOM 0 HG2 LYS A 37 14.559 -7.745 13.286 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.290 -8.250 12.188 1.00 0.00 H new ATOM 0 HD2 LYS A 37 15.374 -10.272 12.991 1.00 0.00 H new ATOM 0 HD3 LYS A 37 14.141 -9.840 14.158 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.512 -10.233 12.069 1.00 0.00 H new ATOM 0 HE3 LYS A 37 13.845 -11.221 11.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.270 -12.523 12.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.765 -12.472 13.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.474 -11.516 14.130 1.00 0.00 H new ATOM 599 N VAL A 38 16.907 -6.853 9.066 1.00 0.00 N ATOM 600 CA VAL A 38 17.965 -6.895 8.065 1.00 0.00 C ATOM 601 C VAL A 38 18.777 -5.604 8.059 1.00 0.00 C ATOM 602 O VAL A 38 19.973 -5.614 7.770 1.00 0.00 O ATOM 603 CB VAL A 38 17.398 -7.135 6.656 1.00 0.00 C ATOM 604 CG1 VAL A 38 16.782 -8.521 6.556 1.00 0.00 C ATOM 605 CG2 VAL A 38 16.380 -6.062 6.307 1.00 0.00 C ATOM 0 H VAL A 38 15.974 -6.688 8.688 1.00 0.00 H new ATOM 0 HA VAL A 38 18.616 -7.727 8.335 1.00 0.00 H new ATOM 0 HB VAL A 38 18.216 -7.077 5.937 1.00 0.00 H new ATOM 0 HG11 VAL A 38 16.386 -8.672 5.552 1.00 0.00 H new ATOM 0 HG12 VAL A 38 17.543 -9.273 6.763 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.974 -8.613 7.282 1.00 0.00 H new ATOM 0 HG21 VAL A 38 15.987 -6.245 5.307 1.00 0.00 H new ATOM 0 HG22 VAL A 38 15.563 -6.087 7.028 1.00 0.00 H new ATOM 0 HG23 VAL A 38 16.859 -5.083 6.335 1.00 0.00 H new ATOM 615 N PHE A 39 18.121 -4.494 8.379 1.00 0.00 N ATOM 616 CA PHE A 39 18.784 -3.196 8.408 1.00 0.00 C ATOM 617 C PHE A 39 19.292 -2.872 9.809 1.00 0.00 C ATOM 618 O PHE A 39 20.260 -2.131 9.974 1.00 0.00 O ATOM 619 CB PHE A 39 17.830 -2.099 7.931 1.00 0.00 C ATOM 620 CG PHE A 39 17.778 -1.958 6.437 1.00 0.00 C ATOM 621 CD1 PHE A 39 18.891 -1.538 5.728 1.00 0.00 C ATOM 622 CD2 PHE A 39 16.614 -2.249 5.740 1.00 0.00 C ATOM 623 CE1 PHE A 39 18.846 -1.409 4.353 1.00 0.00 C ATOM 624 CE2 PHE A 39 16.564 -2.121 4.365 1.00 0.00 C ATOM 625 CZ PHE A 39 17.681 -1.701 3.670 1.00 0.00 C ATOM 0 H PHE A 39 17.131 -4.467 8.622 1.00 0.00 H new ATOM 0 HA PHE A 39 19.640 -3.241 7.734 1.00 0.00 H new ATOM 0 HB2 PHE A 39 16.828 -2.313 8.303 1.00 0.00 H new ATOM 0 HB3 PHE A 39 18.135 -1.148 8.367 1.00 0.00 H new ATOM 0 HD1 PHE A 39 19.805 -1.309 6.256 1.00 0.00 H new ATOM 0 HD2 PHE A 39 15.738 -2.579 6.278 1.00 0.00 H new ATOM 0 HE1 PHE A 39 19.721 -1.080 3.812 1.00 0.00 H new ATOM 0 HE2 PHE A 39 15.652 -2.349 3.834 1.00 0.00 H new ATOM 0 HZ PHE A 39 17.644 -1.601 2.595 1.00 0.00 H new ATOM 635 N GLY A 40 18.631 -3.431 10.818 1.00 0.00 N ATOM 636 CA GLY A 40 19.031 -3.189 12.191 1.00 0.00 C ATOM 637 C GLY A 40 18.282 -2.032 12.826 1.00 0.00 C ATOM 638 O GLY A 40 18.693 -1.517 13.866 1.00 0.00 O ATOM 0 H GLY A 40 17.826 -4.047 10.709 1.00 0.00 H new ATOM 0 HA2 GLY A 40 18.862 -4.091 12.778 1.00 0.00 H new ATOM 0 HA3 GLY A 40 20.101 -2.984 12.222 1.00 0.00 H new ATOM 642 N VAL A 41 17.179 -1.623 12.205 1.00 0.00 N ATOM 643 CA VAL A 41 16.376 -0.522 12.723 1.00 0.00 C ATOM 644 C VAL A 41 15.142 -1.044 13.449 1.00 0.00 C ATOM 645 O VAL A 41 14.812 -2.227 13.363 1.00 0.00 O ATOM 646 CB VAL A 41 15.935 0.433 11.599 1.00 0.00 C ATOM 647 CG1 VAL A 41 17.139 1.129 10.985 1.00 0.00 C ATOM 648 CG2 VAL A 41 15.146 -0.317 10.538 1.00 0.00 C ATOM 0 H VAL A 41 16.822 -2.037 11.344 1.00 0.00 H new ATOM 0 HA VAL A 41 17.004 0.028 13.424 1.00 0.00 H new ATOM 0 HB VAL A 41 15.285 1.195 12.031 1.00 0.00 H new ATOM 0 HG11 VAL A 41 16.807 1.800 10.193 1.00 0.00 H new ATOM 0 HG12 VAL A 41 17.658 1.703 11.753 1.00 0.00 H new ATOM 0 HG13 VAL A 41 17.817 0.384 10.569 1.00 0.00 H new ATOM 0 HG21 VAL A 41 14.843 0.375 9.752 1.00 0.00 H new ATOM 0 HG22 VAL A 41 15.768 -1.103 10.109 1.00 0.00 H new ATOM 0 HG23 VAL A 41 14.260 -0.762 10.990 1.00 0.00 H new ATOM 658 N HIS A 42 14.464 -0.156 14.170 1.00 0.00 N ATOM 659 CA HIS A 42 13.267 -0.530 14.914 1.00 0.00 C ATOM 660 C HIS A 42 12.042 -0.560 14.005 1.00 0.00 C ATOM 661 O HIS A 42 12.049 0.013 12.915 1.00 0.00 O ATOM 662 CB HIS A 42 13.036 0.442 16.072 1.00 0.00 C ATOM 663 CG HIS A 42 12.663 -0.233 17.354 1.00 0.00 C ATOM 664 ND1 HIS A 42 11.608 0.179 18.143 1.00 0.00 N ATOM 665 CD2 HIS A 42 13.207 -1.300 17.985 1.00 0.00 C ATOM 666 CE1 HIS A 42 11.522 -0.605 19.204 1.00 0.00 C ATOM 667 NE2 HIS A 42 12.480 -1.510 19.131 1.00 0.00 N ATOM 0 H HIS A 42 14.723 0.827 14.254 1.00 0.00 H new ATOM 0 HA HIS A 42 13.420 -1.532 15.315 1.00 0.00 H new ATOM 0 HB2 HIS A 42 13.941 1.028 16.230 1.00 0.00 H new ATOM 0 HB3 HIS A 42 12.247 1.142 15.796 1.00 0.00 H new ATOM 0 HD2 HIS A 42 14.055 -1.879 17.650 1.00 0.00 H new ATOM 0 HE1 HIS A 42 10.792 -0.520 19.996 1.00 0.00 H new ATOM 0 HE2 HIS A 42 12.653 -2.246 19.815 1.00 0.00 H new ATOM 676 N TYR A 43 10.990 -1.229 14.465 1.00 0.00 N ATOM 677 CA TYR A 43 9.751 -1.336 13.703 1.00 0.00 C ATOM 678 C TYR A 43 9.226 0.047 13.321 1.00 0.00 C ATOM 679 O TYR A 43 8.971 0.324 12.149 1.00 0.00 O ATOM 680 CB TYR A 43 8.699 -2.098 14.516 1.00 0.00 C ATOM 681 CG TYR A 43 7.309 -2.056 13.919 1.00 0.00 C ATOM 682 CD1 TYR A 43 7.116 -2.170 12.549 1.00 0.00 C ATOM 683 CD2 TYR A 43 6.190 -1.898 14.729 1.00 0.00 C ATOM 684 CE1 TYR A 43 5.846 -2.131 12.003 1.00 0.00 C ATOM 685 CE2 TYR A 43 4.919 -1.859 14.190 1.00 0.00 C ATOM 686 CZ TYR A 43 4.752 -1.976 12.827 1.00 0.00 C ATOM 687 OH TYR A 43 3.487 -1.936 12.286 1.00 0.00 O ATOM 0 H TYR A 43 10.971 -1.707 15.366 1.00 0.00 H new ATOM 0 HA TYR A 43 9.957 -1.886 12.785 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.011 -3.138 14.610 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.663 -1.683 15.523 1.00 0.00 H new ATOM 0 HD1 TYR A 43 7.971 -2.291 11.900 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.317 -1.804 15.797 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.712 -2.222 10.935 1.00 0.00 H new ATOM 0 HE2 TYR A 43 4.060 -1.737 14.833 1.00 0.00 H new ATOM 0 HH TYR A 43 2.828 -1.823 13.003 1.00 0.00 H new ATOM 697 N PHE A 44 9.069 0.910 14.319 1.00 0.00 N ATOM 698 CA PHE A 44 8.576 2.263 14.088 1.00 0.00 C ATOM 699 C PHE A 44 9.528 3.043 13.185 1.00 0.00 C ATOM 700 O PHE A 44 9.118 3.975 12.493 1.00 0.00 O ATOM 701 CB PHE A 44 8.399 2.997 15.419 1.00 0.00 C ATOM 702 CG PHE A 44 7.007 2.898 15.978 1.00 0.00 C ATOM 703 CD1 PHE A 44 5.906 3.172 15.182 1.00 0.00 C ATOM 704 CD2 PHE A 44 6.802 2.531 17.297 1.00 0.00 C ATOM 705 CE1 PHE A 44 4.625 3.081 15.694 1.00 0.00 C ATOM 706 CE2 PHE A 44 5.525 2.439 17.816 1.00 0.00 C ATOM 707 CZ PHE A 44 4.434 2.715 17.013 1.00 0.00 C ATOM 0 H PHE A 44 9.276 0.697 15.295 1.00 0.00 H new ATOM 0 HA PHE A 44 7.609 2.191 13.589 1.00 0.00 H new ATOM 0 HB2 PHE A 44 9.103 2.591 16.145 1.00 0.00 H new ATOM 0 HB3 PHE A 44 8.653 4.048 15.282 1.00 0.00 H new ATOM 0 HD1 PHE A 44 6.050 3.460 14.151 1.00 0.00 H new ATOM 0 HD2 PHE A 44 7.651 2.314 17.928 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.774 3.296 15.064 1.00 0.00 H new ATOM 0 HE2 PHE A 44 5.379 2.152 18.847 1.00 0.00 H new ATOM 0 HZ PHE A 44 3.434 2.645 17.416 1.00 0.00 H new ATOM 717 N ASN A 45 10.802 2.658 13.199 1.00 0.00 N ATOM 718 CA ASN A 45 11.812 3.323 12.383 1.00 0.00 C ATOM 719 C ASN A 45 11.443 3.266 10.903 1.00 0.00 C ATOM 720 O ASN A 45 11.749 4.184 10.143 1.00 0.00 O ATOM 721 CB ASN A 45 13.180 2.680 12.606 1.00 0.00 C ATOM 722 CG ASN A 45 14.322 3.604 12.229 1.00 0.00 C ATOM 723 OD1 ASN A 45 14.532 3.905 11.054 1.00 0.00 O ATOM 724 ND2 ASN A 45 15.070 4.059 13.229 1.00 0.00 N ATOM 0 H ASN A 45 11.158 1.889 13.767 1.00 0.00 H new ATOM 0 HA ASN A 45 11.856 4.369 12.686 1.00 0.00 H new ATOM 0 HB2 ASN A 45 13.278 2.395 13.653 1.00 0.00 H new ATOM 0 HB3 ASN A 45 13.248 1.764 12.019 1.00 0.00 H new ATOM 0 HD21 ASN A 45 15.853 4.683 13.037 1.00 0.00 H new ATOM 0 HD22 ASN A 45 14.861 3.784 14.189 1.00 0.00 H new ATOM 731 N ILE A 46 10.788 2.182 10.502 1.00 0.00 N ATOM 732 CA ILE A 46 10.380 2.011 9.113 1.00 0.00 C ATOM 733 C ILE A 46 9.290 3.006 8.734 1.00 0.00 C ATOM 734 O ILE A 46 9.514 3.907 7.926 1.00 0.00 O ATOM 735 CB ILE A 46 9.867 0.582 8.846 1.00 0.00 C ATOM 736 CG1 ILE A 46 10.862 -0.450 9.382 1.00 0.00 C ATOM 737 CG2 ILE A 46 9.624 0.372 7.360 1.00 0.00 C ATOM 738 CD1 ILE A 46 12.244 -0.324 8.777 1.00 0.00 C ATOM 0 H ILE A 46 10.529 1.411 11.117 1.00 0.00 H new ATOM 0 HA ILE A 46 11.264 2.191 8.502 1.00 0.00 H new ATOM 0 HB ILE A 46 8.920 0.450 9.369 1.00 0.00 H new ATOM 0 HG12 ILE A 46 10.936 -0.344 10.464 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.477 -1.451 9.185 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.262 -0.642 7.190 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.880 1.086 7.009 1.00 0.00 H new ATOM 0 HG23 ILE A 46 10.556 0.521 6.814 1.00 0.00 H new ATOM 0 HD11 ILE A 46 12.898 -1.086 9.202 1.00 0.00 H new ATOM 0 HD12 ILE A 46 12.182 -0.460 7.697 1.00 0.00 H new ATOM 0 HD13 ILE A 46 12.648 0.664 8.996 1.00 0.00 H new ATOM 750 N PHE A 47 8.112 2.838 9.325 1.00 0.00 N ATOM 751 CA PHE A 47 6.985 3.723 9.052 1.00 0.00 C ATOM 752 C PHE A 47 6.237 4.061 10.338 1.00 0.00 C ATOM 753 O PHE A 47 6.047 3.204 11.201 1.00 0.00 O ATOM 754 CB PHE A 47 6.024 3.074 8.049 1.00 0.00 C ATOM 755 CG PHE A 47 6.520 3.062 6.625 1.00 0.00 C ATOM 756 CD1 PHE A 47 7.425 4.012 6.171 1.00 0.00 C ATOM 757 CD2 PHE A 47 6.072 2.096 5.738 1.00 0.00 C ATOM 758 CE1 PHE A 47 7.872 3.995 4.864 1.00 0.00 C ATOM 759 CE2 PHE A 47 6.516 2.076 4.429 1.00 0.00 C ATOM 760 CZ PHE A 47 7.416 3.026 3.992 1.00 0.00 C ATOM 0 H PHE A 47 7.912 2.097 9.997 1.00 0.00 H new ATOM 0 HA PHE A 47 7.378 4.645 8.623 1.00 0.00 H new ATOM 0 HB2 PHE A 47 5.831 2.048 8.362 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.071 3.602 8.084 1.00 0.00 H new ATOM 0 HD1 PHE A 47 7.784 4.773 6.848 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.367 1.350 6.074 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.577 4.739 4.524 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.159 1.317 3.749 1.00 0.00 H new ATOM 0 HZ PHE A 47 7.763 3.012 2.969 1.00 0.00 H new ATOM 770 N ASN A 48 5.815 5.315 10.457 1.00 0.00 N ATOM 771 CA ASN A 48 5.086 5.767 11.636 1.00 0.00 C ATOM 772 C ASN A 48 3.634 5.304 11.586 1.00 0.00 C ATOM 773 O ASN A 48 3.144 4.882 10.540 1.00 0.00 O ATOM 774 CB ASN A 48 5.147 7.293 11.745 1.00 0.00 C ATOM 775 CG ASN A 48 5.432 7.762 13.158 1.00 0.00 C ATOM 776 OD1 ASN A 48 4.654 7.509 14.077 1.00 0.00 O ATOM 777 ND2 ASN A 48 6.554 8.450 13.338 1.00 0.00 N ATOM 0 H ASN A 48 5.965 6.036 9.752 1.00 0.00 H new ATOM 0 HA ASN A 48 5.557 5.329 12.516 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.921 7.671 11.077 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.201 7.716 11.409 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.799 8.791 14.267 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.170 8.637 12.547 1.00 0.00 H new ATOM 784 N THR A 49 2.951 5.387 12.725 1.00 0.00 N ATOM 785 CA THR A 49 1.553 4.975 12.812 1.00 0.00 C ATOM 786 C THR A 49 0.712 5.670 11.745 1.00 0.00 C ATOM 787 O THR A 49 -0.150 5.052 11.119 1.00 0.00 O ATOM 788 CB THR A 49 0.995 5.289 14.200 1.00 0.00 C ATOM 789 OG1 THR A 49 1.874 4.826 15.211 1.00 0.00 O ATOM 790 CG2 THR A 49 -0.362 4.669 14.453 1.00 0.00 C ATOM 0 H THR A 49 3.343 5.736 13.600 1.00 0.00 H new ATOM 0 HA THR A 49 1.506 3.899 12.642 1.00 0.00 H new ATOM 0 HB THR A 49 0.893 6.374 14.232 1.00 0.00 H new ATOM 0 HG1 THR A 49 1.500 5.038 16.092 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.700 4.931 15.456 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.076 5.044 13.720 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.289 3.585 14.366 1.00 0.00 H new ATOM 798 N VAL A 50 0.969 6.958 11.542 1.00 0.00 N ATOM 799 CA VAL A 50 0.238 7.737 10.551 1.00 0.00 C ATOM 800 C VAL A 50 0.659 7.357 9.133 1.00 0.00 C ATOM 801 O VAL A 50 -0.130 7.451 8.194 1.00 0.00 O ATOM 802 CB VAL A 50 0.451 9.248 10.758 1.00 0.00 C ATOM 803 CG1 VAL A 50 1.914 9.605 10.577 1.00 0.00 C ATOM 804 CG2 VAL A 50 -0.427 10.052 9.809 1.00 0.00 C ATOM 0 H VAL A 50 1.679 7.484 12.052 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.820 7.509 10.683 1.00 0.00 H new ATOM 0 HB VAL A 50 0.161 9.501 11.778 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.048 10.676 10.726 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.514 9.059 11.305 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.232 9.337 9.570 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.260 11.117 9.973 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.176 9.800 8.779 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.475 9.816 9.995 1.00 0.00 H new ATOM 814 N THR A 51 1.908 6.931 8.989 1.00 0.00 N ATOM 815 CA THR A 51 2.438 6.538 7.688 1.00 0.00 C ATOM 816 C THR A 51 1.778 5.257 7.187 1.00 0.00 C ATOM 817 O THR A 51 1.338 5.182 6.040 1.00 0.00 O ATOM 818 CB THR A 51 3.953 6.347 7.771 1.00 0.00 C ATOM 819 OG1 THR A 51 4.560 7.442 8.434 1.00 0.00 O ATOM 820 CG2 THR A 51 4.611 6.206 6.416 1.00 0.00 C ATOM 0 H THR A 51 2.574 6.849 9.757 1.00 0.00 H new ATOM 0 HA THR A 51 2.215 7.335 6.979 1.00 0.00 H new ATOM 0 HB THR A 51 4.100 5.420 8.326 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.396 8.264 7.926 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.685 6.074 6.545 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.198 5.340 5.899 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.424 7.103 5.826 1.00 0.00 H new ATOM 828 N LEU A 52 1.714 4.251 8.053 1.00 0.00 N ATOM 829 CA LEU A 52 1.108 2.972 7.695 1.00 0.00 C ATOM 830 C LEU A 52 -0.343 3.155 7.263 1.00 0.00 C ATOM 831 O LEU A 52 -0.748 2.681 6.201 1.00 0.00 O ATOM 832 CB LEU A 52 1.181 1.999 8.874 1.00 0.00 C ATOM 833 CG LEU A 52 2.593 1.563 9.267 1.00 0.00 C ATOM 834 CD1 LEU A 52 2.546 0.619 10.459 1.00 0.00 C ATOM 835 CD2 LEU A 52 3.294 0.902 8.090 1.00 0.00 C ATOM 0 H LEU A 52 2.074 4.296 9.006 1.00 0.00 H new ATOM 0 HA LEU A 52 1.668 2.559 6.856 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.707 2.463 9.739 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.598 1.111 8.629 1.00 0.00 H new ATOM 0 HG LEU A 52 3.161 2.449 9.551 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.559 0.319 10.725 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.083 1.125 11.306 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.962 -0.264 10.201 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.297 0.598 8.388 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.728 0.025 7.775 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.360 1.608 7.262 1.00 0.00 H new ATOM 847 N LYS A 53 -1.121 3.847 8.090 1.00 0.00 N ATOM 848 CA LYS A 53 -2.527 4.092 7.788 1.00 0.00 C ATOM 849 C LYS A 53 -2.681 4.767 6.429 1.00 0.00 C ATOM 850 O LYS A 53 -3.690 4.588 5.746 1.00 0.00 O ATOM 851 CB LYS A 53 -3.164 4.957 8.877 1.00 0.00 C ATOM 852 CG LYS A 53 -2.458 6.284 9.091 1.00 0.00 C ATOM 853 CD LYS A 53 -3.203 7.156 10.089 1.00 0.00 C ATOM 854 CE LYS A 53 -2.996 6.670 11.515 1.00 0.00 C ATOM 855 NZ LYS A 53 -4.150 5.862 11.999 1.00 0.00 N ATOM 0 H LYS A 53 -0.802 4.247 8.972 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.038 3.130 7.756 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.205 5.147 8.616 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.167 4.401 9.815 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.444 6.105 9.449 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.372 6.809 8.140 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.860 8.187 10.001 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.267 7.153 9.853 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.087 6.071 11.566 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.851 7.527 12.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.832 5.217 12.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.884 6.496 12.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.541 5.308 11.210 1.00 0.00 H new ATOM 869 N LYS A 54 -1.671 5.539 6.039 1.00 0.00 N ATOM 870 CA LYS A 54 -1.694 6.234 4.758 1.00 0.00 C ATOM 871 C LYS A 54 -1.703 5.236 3.604 1.00 0.00 C ATOM 872 O LYS A 54 -2.608 5.244 2.770 1.00 0.00 O ATOM 873 CB LYS A 54 -0.486 7.168 4.640 1.00 0.00 C ATOM 874 CG LYS A 54 -0.861 8.642 4.616 1.00 0.00 C ATOM 875 CD LYS A 54 -1.569 9.059 5.895 1.00 0.00 C ATOM 876 CE LYS A 54 -2.052 10.498 5.821 1.00 0.00 C ATOM 877 NZ LYS A 54 -0.957 11.466 6.110 1.00 0.00 N ATOM 0 H LYS A 54 -0.828 5.698 6.591 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.606 6.829 4.706 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.188 6.986 5.477 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.063 6.926 3.730 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.037 9.245 4.483 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.507 8.840 3.761 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.417 8.398 6.074 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.891 8.945 6.741 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.458 10.694 4.829 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.864 10.646 6.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.326 12.436 6.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.586 11.295 7.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.193 11.343 5.416 1.00 0.00 H new ATOM 891 N LEU A 55 -0.693 4.370 3.568 1.00 0.00 N ATOM 892 CA LEU A 55 -0.592 3.358 2.522 1.00 0.00 C ATOM 893 C LEU A 55 -1.822 2.455 2.499 1.00 0.00 C ATOM 894 O LEU A 55 -2.124 1.832 1.482 1.00 0.00 O ATOM 895 CB LEU A 55 0.675 2.518 2.706 1.00 0.00 C ATOM 896 CG LEU A 55 1.925 3.079 2.024 1.00 0.00 C ATOM 897 CD1 LEU A 55 2.784 3.871 2.997 1.00 0.00 C ATOM 898 CD2 LEU A 55 2.738 1.960 1.397 1.00 0.00 C ATOM 0 H LEU A 55 0.065 4.349 4.250 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.536 3.878 1.565 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.875 2.418 3.773 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.488 1.516 2.321 1.00 0.00 H new ATOM 0 HG LEU A 55 1.594 3.759 1.239 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.663 4.254 2.478 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.207 4.705 3.397 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.099 3.223 3.815 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.623 2.378 0.917 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.044 1.255 2.170 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.132 1.443 0.653 1.00 0.00 H new ATOM 910 N ALA A 56 -2.531 2.389 3.621 1.00 0.00 N ATOM 911 CA ALA A 56 -3.727 1.560 3.716 1.00 0.00 C ATOM 912 C ALA A 56 -4.900 2.209 2.990 1.00 0.00 C ATOM 913 O ALA A 56 -5.475 1.620 2.076 1.00 0.00 O ATOM 914 CB ALA A 56 -4.079 1.306 5.173 1.00 0.00 C ATOM 0 H ALA A 56 -2.299 2.898 4.474 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.518 0.605 3.234 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.974 0.686 5.228 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.251 0.793 5.663 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.265 2.256 5.673 1.00 0.00 H new ATOM 920 N GLU A 57 -5.248 3.423 3.402 1.00 0.00 N ATOM 921 CA GLU A 57 -6.355 4.150 2.788 1.00 0.00 C ATOM 922 C GLU A 57 -6.149 4.284 1.281 1.00 0.00 C ATOM 923 O GLU A 57 -7.104 4.224 0.506 1.00 0.00 O ATOM 924 CB GLU A 57 -6.497 5.536 3.419 1.00 0.00 C ATOM 925 CG GLU A 57 -6.377 5.533 4.934 1.00 0.00 C ATOM 926 CD GLU A 57 -7.441 6.378 5.607 1.00 0.00 C ATOM 927 OE1 GLU A 57 -7.275 7.614 5.654 1.00 0.00 O ATOM 928 OE2 GLU A 57 -8.441 5.802 6.086 1.00 0.00 O ATOM 0 H GLU A 57 -4.781 3.925 4.157 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.269 3.583 2.964 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.734 6.194 3.004 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.464 5.955 3.141 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.449 4.508 5.298 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.392 5.904 5.217 1.00 0.00 H new ATOM 935 N SER A 58 -4.895 4.462 0.876 1.00 0.00 N ATOM 936 CA SER A 58 -4.562 4.601 -0.537 1.00 0.00 C ATOM 937 C SER A 58 -4.807 3.294 -1.283 1.00 0.00 C ATOM 938 O SER A 58 -5.514 3.264 -2.290 1.00 0.00 O ATOM 939 CB SER A 58 -3.102 5.030 -0.699 1.00 0.00 C ATOM 940 OG SER A 58 -2.971 6.438 -0.610 1.00 0.00 O ATOM 0 H SER A 58 -4.094 4.513 1.506 1.00 0.00 H new ATOM 0 HA SER A 58 -5.207 5.369 -0.964 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.493 4.556 0.070 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.724 4.687 -1.662 1.00 0.00 H new ATOM 0 HG SER A 58 -2.029 6.686 -0.715 1.00 0.00 H new ATOM 946 N LEU A 59 -4.222 2.213 -0.775 1.00 0.00 N ATOM 947 CA LEU A 59 -4.377 0.896 -1.386 1.00 0.00 C ATOM 948 C LEU A 59 -3.715 0.841 -2.760 1.00 0.00 C ATOM 949 O LEU A 59 -4.230 0.211 -3.683 1.00 0.00 O ATOM 950 CB LEU A 59 -5.861 0.540 -1.505 1.00 0.00 C ATOM 951 CG LEU A 59 -6.191 -0.939 -1.294 1.00 0.00 C ATOM 952 CD1 LEU A 59 -7.412 -1.095 -0.399 1.00 0.00 C ATOM 953 CD2 LEU A 59 -6.413 -1.631 -2.630 1.00 0.00 C ATOM 0 H LEU A 59 -3.635 2.223 0.059 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.883 0.168 -0.743 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.420 1.129 -0.777 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.212 0.838 -2.493 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.343 -1.412 -0.798 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.630 -2.154 -0.262 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.214 -0.637 0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.268 -0.606 -0.863 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.647 -2.682 -2.461 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.242 -1.155 -3.153 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.510 -1.553 -3.235 1.00 0.00 H new ATOM 965 N SER A 60 -2.569 1.503 -2.887 1.00 0.00 N ATOM 966 CA SER A 60 -1.834 1.525 -4.146 1.00 0.00 C ATOM 967 C SER A 60 -0.334 1.391 -3.899 1.00 0.00 C ATOM 968 O SER A 60 0.209 2.008 -2.982 1.00 0.00 O ATOM 969 CB SER A 60 -2.125 2.819 -4.909 1.00 0.00 C ATOM 970 OG SER A 60 -1.923 3.954 -4.084 1.00 0.00 O ATOM 0 H SER A 60 -2.130 2.031 -2.133 1.00 0.00 H new ATOM 0 HA SER A 60 -2.163 0.677 -4.747 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.478 2.882 -5.784 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.153 2.808 -5.272 1.00 0.00 H new ATOM 0 HG SER A 60 -2.114 4.768 -4.595 1.00 0.00 H new ATOM 976 N SER A 61 0.330 0.582 -4.719 1.00 0.00 N ATOM 977 CA SER A 61 1.767 0.373 -4.578 1.00 0.00 C ATOM 978 C SER A 61 2.545 1.202 -5.597 1.00 0.00 C ATOM 979 O SER A 61 2.918 0.708 -6.661 1.00 0.00 O ATOM 980 CB SER A 61 2.107 -1.113 -4.742 1.00 0.00 C ATOM 981 OG SER A 61 0.938 -1.885 -4.957 1.00 0.00 O ATOM 0 H SER A 61 -0.101 0.063 -5.484 1.00 0.00 H new ATOM 0 HA SER A 61 2.058 0.698 -3.579 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.791 -1.242 -5.581 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.624 -1.471 -3.852 1.00 0.00 H new ATOM 0 HG SER A 61 0.599 -1.720 -5.862 1.00 0.00 H new ATOM 987 N ASP A 62 2.794 2.462 -5.256 1.00 0.00 N ATOM 988 CA ASP A 62 3.537 3.363 -6.130 1.00 0.00 C ATOM 989 C ASP A 62 4.722 3.976 -5.386 1.00 0.00 C ATOM 990 O ASP A 62 4.711 4.059 -4.163 1.00 0.00 O ATOM 991 CB ASP A 62 2.619 4.467 -6.660 1.00 0.00 C ATOM 992 CG ASP A 62 2.581 4.511 -8.175 1.00 0.00 C ATOM 993 OD1 ASP A 62 2.775 3.451 -8.804 1.00 0.00 O ATOM 994 OD2 ASP A 62 2.358 5.607 -8.732 1.00 0.00 O ATOM 0 H ASP A 62 2.491 2.883 -4.378 1.00 0.00 H new ATOM 0 HA ASP A 62 3.917 2.787 -6.974 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.610 4.311 -6.279 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.958 5.431 -6.280 1.00 0.00 H new ATOM 999 N PRO A 63 5.762 4.414 -6.111 1.00 0.00 N ATOM 1000 CA PRO A 63 6.946 5.017 -5.504 1.00 0.00 C ATOM 1001 C PRO A 63 6.705 6.470 -5.105 1.00 0.00 C ATOM 1002 O PRO A 63 7.061 6.892 -4.006 1.00 0.00 O ATOM 1003 CB PRO A 63 8.013 4.929 -6.607 1.00 0.00 C ATOM 1004 CG PRO A 63 7.363 4.237 -7.767 1.00 0.00 C ATOM 1005 CD PRO A 63 5.879 4.360 -7.567 1.00 0.00 C ATOM 0 HA PRO A 63 7.235 4.508 -4.584 1.00 0.00 H new ATOM 0 HB2 PRO A 63 8.361 5.922 -6.892 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.885 4.373 -6.261 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.666 4.694 -8.709 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.662 3.190 -7.810 1.00 0.00 H new ATOM 0 HD2 PRO A 63 5.478 5.256 -8.040 1.00 0.00 H new ATOM 0 HD3 PRO A 63 5.341 3.510 -7.987 1.00 0.00 H new ATOM 1013 N GLU A 64 6.095 7.227 -6.010 1.00 0.00 N ATOM 1014 CA GLU A 64 5.796 8.634 -5.762 1.00 0.00 C ATOM 1015 C GLU A 64 4.737 8.781 -4.681 1.00 0.00 C ATOM 1016 O GLU A 64 4.899 9.541 -3.726 1.00 0.00 O ATOM 1017 CB GLU A 64 5.296 9.298 -7.044 1.00 0.00 C ATOM 1018 CG GLU A 64 6.111 10.508 -7.458 1.00 0.00 C ATOM 1019 CD GLU A 64 7.171 10.175 -8.490 1.00 0.00 C ATOM 1020 OE1 GLU A 64 6.801 9.773 -9.613 1.00 0.00 O ATOM 1021 OE2 GLU A 64 8.372 10.315 -8.173 1.00 0.00 O ATOM 0 H GLU A 64 5.797 6.889 -6.925 1.00 0.00 H new ATOM 0 HA GLU A 64 6.713 9.119 -5.428 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.311 8.566 -7.852 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.258 9.599 -6.906 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.444 11.270 -7.861 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.589 10.937 -6.578 1.00 0.00 H new ATOM 1028 N VAL A 65 3.645 8.049 -4.854 1.00 0.00 N ATOM 1029 CA VAL A 65 2.532 8.087 -3.918 1.00 0.00 C ATOM 1030 C VAL A 65 3.007 7.992 -2.471 1.00 0.00 C ATOM 1031 O VAL A 65 2.587 8.774 -1.617 1.00 0.00 O ATOM 1032 CB VAL A 65 1.533 6.947 -4.193 1.00 0.00 C ATOM 1033 CG1 VAL A 65 0.328 7.078 -3.287 1.00 0.00 C ATOM 1034 CG2 VAL A 65 1.099 6.942 -5.654 1.00 0.00 C ATOM 0 H VAL A 65 3.507 7.416 -5.642 1.00 0.00 H new ATOM 0 HA VAL A 65 2.036 9.047 -4.064 1.00 0.00 H new ATOM 0 HB VAL A 65 2.031 6.000 -3.984 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.371 6.267 -3.491 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.648 7.028 -2.246 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.163 8.034 -3.470 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.394 6.128 -5.821 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.621 7.891 -5.895 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.972 6.803 -6.292 1.00 0.00 H new ATOM 1044 N LEU A 66 3.880 7.030 -2.200 1.00 0.00 N ATOM 1045 CA LEU A 66 4.404 6.834 -0.855 1.00 0.00 C ATOM 1046 C LEU A 66 5.329 7.977 -0.453 1.00 0.00 C ATOM 1047 O LEU A 66 5.469 8.285 0.731 1.00 0.00 O ATOM 1048 CB LEU A 66 5.145 5.498 -0.769 1.00 0.00 C ATOM 1049 CG LEU A 66 4.323 4.276 -1.188 1.00 0.00 C ATOM 1050 CD1 LEU A 66 4.953 2.994 -0.668 1.00 0.00 C ATOM 1051 CD2 LEU A 66 2.889 4.400 -0.699 1.00 0.00 C ATOM 0 H LEU A 66 4.240 6.374 -2.893 1.00 0.00 H new ATOM 0 HA LEU A 66 3.563 6.821 -0.161 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.035 5.552 -1.397 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.486 5.354 0.256 1.00 0.00 H new ATOM 0 HG LEU A 66 4.314 4.234 -2.277 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.351 2.140 -0.979 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.960 2.894 -1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.001 3.027 0.420 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.322 3.522 -1.007 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.881 4.474 0.388 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.435 5.294 -1.127 1.00 0.00 H new ATOM 1063 N LEU A 67 5.955 8.607 -1.441 1.00 0.00 N ATOM 1064 CA LEU A 67 6.862 9.719 -1.182 1.00 0.00 C ATOM 1065 C LEU A 67 6.133 10.858 -0.476 1.00 0.00 C ATOM 1066 O LEU A 67 6.692 11.520 0.400 1.00 0.00 O ATOM 1067 CB LEU A 67 7.470 10.225 -2.491 1.00 0.00 C ATOM 1068 CG LEU A 67 8.843 10.886 -2.356 1.00 0.00 C ATOM 1069 CD1 LEU A 67 8.801 11.996 -1.318 1.00 0.00 C ATOM 1070 CD2 LEU A 67 9.898 9.851 -1.991 1.00 0.00 C ATOM 0 H LEU A 67 5.851 8.367 -2.427 1.00 0.00 H new ATOM 0 HA LEU A 67 7.661 9.361 -0.533 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.554 9.387 -3.182 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.782 10.941 -2.940 1.00 0.00 H new ATOM 0 HG LEU A 67 9.110 11.326 -3.317 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.786 12.455 -1.236 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.074 12.750 -1.621 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.512 11.581 -0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.869 10.338 -1.899 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.635 9.383 -1.042 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.946 9.090 -2.770 1.00 0.00 H new ATOM 1082 N GLN A 68 4.881 11.081 -0.863 1.00 0.00 N ATOM 1083 CA GLN A 68 4.070 12.138 -0.268 1.00 0.00 C ATOM 1084 C GLN A 68 3.638 11.773 1.151 1.00 0.00 C ATOM 1085 O GLN A 68 3.314 12.647 1.953 1.00 0.00 O ATOM 1086 CB GLN A 68 2.836 12.408 -1.132 1.00 0.00 C ATOM 1087 CG GLN A 68 3.164 12.708 -2.585 1.00 0.00 C ATOM 1088 CD GLN A 68 2.265 13.775 -3.177 1.00 0.00 C ATOM 1089 OE1 GLN A 68 1.064 13.565 -3.353 1.00 0.00 O ATOM 1090 NE2 GLN A 68 2.842 14.929 -3.490 1.00 0.00 N ATOM 0 H GLN A 68 4.405 10.543 -1.587 1.00 0.00 H new ATOM 0 HA GLN A 68 4.681 13.039 -0.218 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.176 11.542 -1.089 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.285 13.249 -0.711 1.00 0.00 H new ATOM 0 HG2 GLN A 68 4.203 13.030 -2.660 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.071 11.794 -3.171 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.840 15.061 -3.327 1.00 0.00 H new ATOM 0 HE22 GLN A 68 2.287 15.684 -3.893 1.00 0.00 H new ATOM 1099 N ILE A 69 3.638 10.478 1.454 1.00 0.00 N ATOM 1100 CA ILE A 69 3.245 10.006 2.777 1.00 0.00 C ATOM 1101 C ILE A 69 4.209 10.513 3.844 1.00 0.00 C ATOM 1102 O ILE A 69 5.427 10.456 3.672 1.00 0.00 O ATOM 1103 CB ILE A 69 3.193 8.467 2.836 1.00 0.00 C ATOM 1104 CG1 ILE A 69 2.367 7.910 1.674 1.00 0.00 C ATOM 1105 CG2 ILE A 69 2.621 8.004 4.170 1.00 0.00 C ATOM 1106 CD1 ILE A 69 0.888 8.216 1.774 1.00 0.00 C ATOM 0 H ILE A 69 3.905 9.739 0.803 1.00 0.00 H new ATOM 0 HA ILE A 69 2.247 10.400 2.971 1.00 0.00 H new ATOM 0 HB ILE A 69 4.210 8.085 2.746 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.751 8.319 0.739 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.503 6.829 1.629 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.591 6.915 4.195 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.250 8.368 4.982 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.611 8.397 4.289 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.369 7.789 0.916 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.488 7.784 2.691 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.740 9.296 1.787 1.00 0.00 H new ATOM 1118 N ASP A 70 3.658 11.011 4.946 1.00 0.00 N ATOM 1119 CA ASP A 70 4.471 11.529 6.041 1.00 0.00 C ATOM 1120 C ASP A 70 5.400 10.452 6.589 1.00 0.00 C ATOM 1121 O ASP A 70 4.970 9.334 6.874 1.00 0.00 O ATOM 1122 CB ASP A 70 3.574 12.069 7.158 1.00 0.00 C ATOM 1123 CG ASP A 70 3.923 13.494 7.543 1.00 0.00 C ATOM 1124 OD1 ASP A 70 5.124 13.780 7.734 1.00 0.00 O ATOM 1125 OD2 ASP A 70 2.997 14.324 7.654 1.00 0.00 O ATOM 0 H ASP A 70 2.652 11.067 5.105 1.00 0.00 H new ATOM 0 HA ASP A 70 5.083 12.343 5.652 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.533 12.027 6.837 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.663 11.427 8.034 1.00 0.00 H new ATOM 1130 N GLY A 71 6.676 10.795 6.736 1.00 0.00 N ATOM 1131 CA GLY A 71 7.646 9.846 7.250 1.00 0.00 C ATOM 1132 C GLY A 71 8.405 9.137 6.147 1.00 0.00 C ATOM 1133 O GLY A 71 9.590 8.834 6.293 1.00 0.00 O ATOM 0 H GLY A 71 7.055 11.714 6.508 1.00 0.00 H new ATOM 0 HA2 GLY A 71 8.353 10.367 7.896 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.135 9.107 7.868 1.00 0.00 H new ATOM 1137 N VAL A 72 7.722 8.869 5.038 1.00 0.00 N ATOM 1138 CA VAL A 72 8.338 8.191 3.905 1.00 0.00 C ATOM 1139 C VAL A 72 9.071 9.180 3.006 1.00 0.00 C ATOM 1140 O VAL A 72 8.454 10.046 2.387 1.00 0.00 O ATOM 1141 CB VAL A 72 7.291 7.433 3.068 1.00 0.00 C ATOM 1142 CG1 VAL A 72 7.965 6.591 1.997 1.00 0.00 C ATOM 1143 CG2 VAL A 72 6.411 6.571 3.963 1.00 0.00 C ATOM 0 H VAL A 72 6.741 9.112 4.901 1.00 0.00 H new ATOM 0 HA VAL A 72 9.052 7.476 4.314 1.00 0.00 H new ATOM 0 HB VAL A 72 6.655 8.165 2.570 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.207 6.064 1.418 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.543 7.237 1.336 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.630 5.867 2.468 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.678 6.044 3.353 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.030 5.847 4.493 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.895 7.204 4.684 1.00 0.00 H new ATOM 1153 N THR A 73 10.392 9.043 2.937 1.00 0.00 N ATOM 1154 CA THR A 73 11.208 9.925 2.112 1.00 0.00 C ATOM 1155 C THR A 73 11.748 9.183 0.894 1.00 0.00 C ATOM 1156 O THR A 73 11.452 8.005 0.691 1.00 0.00 O ATOM 1157 CB THR A 73 12.368 10.497 2.931 1.00 0.00 C ATOM 1158 OG1 THR A 73 12.876 9.526 3.827 1.00 0.00 O ATOM 1159 CG2 THR A 73 11.982 11.715 3.743 1.00 0.00 C ATOM 0 H THR A 73 10.919 8.330 3.442 1.00 0.00 H new ATOM 0 HA THR A 73 10.578 10.745 1.767 1.00 0.00 H new ATOM 0 HB THR A 73 13.121 10.791 2.200 1.00 0.00 H new ATOM 0 HG1 THR A 73 13.607 9.915 4.351 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.849 12.071 4.300 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.632 12.502 3.075 1.00 0.00 H new ATOM 0 HG23 THR A 73 11.187 11.451 4.440 1.00 0.00 H new ATOM 1167 N GLU A 74 12.540 9.879 0.086 1.00 0.00 N ATOM 1168 CA GLU A 74 13.121 9.286 -1.114 1.00 0.00 C ATOM 1169 C GLU A 74 14.021 8.107 -0.759 1.00 0.00 C ATOM 1170 O GLU A 74 14.187 7.179 -1.553 1.00 0.00 O ATOM 1171 CB GLU A 74 13.918 10.334 -1.891 1.00 0.00 C ATOM 1172 CG GLU A 74 14.049 10.022 -3.373 1.00 0.00 C ATOM 1173 CD GLU A 74 13.299 11.010 -4.247 1.00 0.00 C ATOM 1174 OE1 GLU A 74 13.489 12.230 -4.061 1.00 0.00 O ATOM 1175 OE2 GLU A 74 12.523 10.561 -5.116 1.00 0.00 O ATOM 0 H GLU A 74 12.795 10.855 0.240 1.00 0.00 H new ATOM 0 HA GLU A 74 12.306 8.922 -1.739 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.437 11.305 -1.774 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.914 10.417 -1.456 1.00 0.00 H new ATOM 0 HG2 GLU A 74 15.103 10.026 -3.649 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.673 9.017 -3.563 1.00 0.00 H new ATOM 1182 N ASP A 75 14.603 8.147 0.436 1.00 0.00 N ATOM 1183 CA ASP A 75 15.488 7.081 0.892 1.00 0.00 C ATOM 1184 C ASP A 75 14.688 5.885 1.399 1.00 0.00 C ATOM 1185 O ASP A 75 14.991 4.739 1.067 1.00 0.00 O ATOM 1186 CB ASP A 75 16.413 7.595 1.996 1.00 0.00 C ATOM 1187 CG ASP A 75 15.650 8.256 3.128 1.00 0.00 C ATOM 1188 OD1 ASP A 75 15.177 7.530 4.029 1.00 0.00 O ATOM 1189 OD2 ASP A 75 15.526 9.499 3.114 1.00 0.00 O ATOM 0 H ASP A 75 14.477 8.906 1.106 1.00 0.00 H new ATOM 0 HA ASP A 75 16.090 6.757 0.043 1.00 0.00 H new ATOM 0 HB2 ASP A 75 16.998 6.765 2.392 1.00 0.00 H new ATOM 0 HB3 ASP A 75 17.119 8.309 1.572 1.00 0.00 H new ATOM 1194 N LYS A 76 13.667 6.158 2.205 1.00 0.00 N ATOM 1195 CA LYS A 76 12.825 5.104 2.758 1.00 0.00 C ATOM 1196 C LYS A 76 12.190 4.273 1.648 1.00 0.00 C ATOM 1197 O LYS A 76 12.103 3.049 1.747 1.00 0.00 O ATOM 1198 CB LYS A 76 11.735 5.706 3.647 1.00 0.00 C ATOM 1199 CG LYS A 76 12.278 6.445 4.862 1.00 0.00 C ATOM 1200 CD LYS A 76 11.566 6.024 6.137 1.00 0.00 C ATOM 1201 CE LYS A 76 12.384 6.368 7.371 1.00 0.00 C ATOM 1202 NZ LYS A 76 13.336 5.278 7.727 1.00 0.00 N ATOM 0 H LYS A 76 13.403 7.101 2.490 1.00 0.00 H new ATOM 0 HA LYS A 76 13.456 4.450 3.360 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.132 6.394 3.053 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.071 4.909 3.983 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.346 6.250 4.960 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.162 7.519 4.717 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.596 6.517 6.193 1.00 0.00 H new ATOM 0 HD3 LYS A 76 11.377 4.951 6.112 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.937 7.290 7.194 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.714 6.554 8.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.051 5.644 8.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.817 4.497 8.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.805 4.932 6.866 1.00 0.00 H new ATOM 1216 N LEU A 77 11.751 4.944 0.590 1.00 0.00 N ATOM 1217 CA LEU A 77 11.126 4.268 -0.541 1.00 0.00 C ATOM 1218 C LEU A 77 12.172 3.597 -1.434 1.00 0.00 C ATOM 1219 O LEU A 77 11.833 2.804 -2.312 1.00 0.00 O ATOM 1220 CB LEU A 77 10.305 5.268 -1.361 1.00 0.00 C ATOM 1221 CG LEU A 77 9.012 4.716 -1.968 1.00 0.00 C ATOM 1222 CD1 LEU A 77 9.309 3.541 -2.886 1.00 0.00 C ATOM 1223 CD2 LEU A 77 8.036 4.306 -0.876 1.00 0.00 C ATOM 0 H LEU A 77 11.816 5.957 0.491 1.00 0.00 H new ATOM 0 HA LEU A 77 10.467 3.493 -0.149 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.054 6.115 -0.723 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.930 5.651 -2.168 1.00 0.00 H new ATOM 0 HG LEU A 77 8.551 5.507 -2.560 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.377 3.164 -3.307 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.966 3.866 -3.693 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.797 2.749 -2.317 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.125 3.917 -1.330 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.489 3.535 -0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.793 5.172 -0.261 1.00 0.00 H new ATOM 1235 N GLU A 78 13.443 3.920 -1.210 1.00 0.00 N ATOM 1236 CA GLU A 78 14.526 3.346 -2.004 1.00 0.00 C ATOM 1237 C GLU A 78 14.990 2.010 -1.430 1.00 0.00 C ATOM 1238 O GLU A 78 15.308 1.083 -2.174 1.00 0.00 O ATOM 1239 CB GLU A 78 15.703 4.320 -2.074 1.00 0.00 C ATOM 1240 CG GLU A 78 16.306 4.446 -3.462 1.00 0.00 C ATOM 1241 CD GLU A 78 17.355 5.539 -3.546 1.00 0.00 C ATOM 1242 OE1 GLU A 78 18.289 5.528 -2.717 1.00 0.00 O ATOM 1243 OE2 GLU A 78 17.242 6.405 -4.438 1.00 0.00 O ATOM 0 H GLU A 78 13.748 4.573 -0.488 1.00 0.00 H new ATOM 0 HA GLU A 78 14.144 3.168 -3.009 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.371 5.303 -1.741 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.476 3.993 -1.379 1.00 0.00 H new ATOM 0 HG2 GLU A 78 16.755 3.494 -3.747 1.00 0.00 H new ATOM 0 HG3 GLU A 78 15.513 4.652 -4.181 1.00 0.00 H new ATOM 1250 N LYS A 79 15.042 1.919 -0.104 1.00 0.00 N ATOM 1251 CA LYS A 79 15.482 0.696 0.559 1.00 0.00 C ATOM 1252 C LYS A 79 14.299 -0.177 0.969 1.00 0.00 C ATOM 1253 O LYS A 79 14.286 -1.380 0.706 1.00 0.00 O ATOM 1254 CB LYS A 79 16.332 1.034 1.786 1.00 0.00 C ATOM 1255 CG LYS A 79 15.566 1.762 2.878 1.00 0.00 C ATOM 1256 CD LYS A 79 16.506 2.460 3.846 1.00 0.00 C ATOM 1257 CE LYS A 79 16.865 1.562 5.020 1.00 0.00 C ATOM 1258 NZ LYS A 79 17.086 2.343 6.269 1.00 0.00 N ATOM 0 H LYS A 79 14.786 2.675 0.531 1.00 0.00 H new ATOM 0 HA LYS A 79 16.085 0.133 -0.153 1.00 0.00 H new ATOM 0 HB2 LYS A 79 16.744 0.112 2.196 1.00 0.00 H new ATOM 0 HB3 LYS A 79 17.176 1.650 1.474 1.00 0.00 H new ATOM 0 HG2 LYS A 79 14.896 2.494 2.428 1.00 0.00 H new ATOM 0 HG3 LYS A 79 14.943 1.052 3.422 1.00 0.00 H new ATOM 0 HD2 LYS A 79 17.415 2.757 3.322 1.00 0.00 H new ATOM 0 HD3 LYS A 79 16.038 3.373 4.215 1.00 0.00 H new ATOM 0 HE2 LYS A 79 16.066 0.838 5.181 1.00 0.00 H new ATOM 0 HE3 LYS A 79 17.765 0.996 4.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 18.012 2.096 6.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 17.064 3.360 6.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 16.337 2.119 6.955 1.00 0.00 H new ATOM 1272 N TYR A 80 13.310 0.429 1.618 1.00 0.00 N ATOM 1273 CA TYR A 80 12.131 -0.304 2.065 1.00 0.00 C ATOM 1274 C TYR A 80 11.142 -0.512 0.922 1.00 0.00 C ATOM 1275 O TYR A 80 10.385 -1.482 0.914 1.00 0.00 O ATOM 1276 CB TYR A 80 11.444 0.438 3.213 1.00 0.00 C ATOM 1277 CG TYR A 80 12.335 0.657 4.415 1.00 0.00 C ATOM 1278 CD1 TYR A 80 13.115 -0.375 4.922 1.00 0.00 C ATOM 1279 CD2 TYR A 80 12.396 1.894 5.042 1.00 0.00 C ATOM 1280 CE1 TYR A 80 13.929 -0.181 6.020 1.00 0.00 C ATOM 1281 CE2 TYR A 80 13.209 2.098 6.141 1.00 0.00 C ATOM 1282 CZ TYR A 80 13.974 1.057 6.626 1.00 0.00 C ATOM 1283 OH TYR A 80 14.785 1.256 7.720 1.00 0.00 O ATOM 0 H TYR A 80 13.301 1.423 1.846 1.00 0.00 H new ATOM 0 HA TYR A 80 12.463 -1.281 2.415 1.00 0.00 H new ATOM 0 HB2 TYR A 80 11.093 1.404 2.851 1.00 0.00 H new ATOM 0 HB3 TYR A 80 10.563 -0.125 3.522 1.00 0.00 H new ATOM 0 HD1 TYR A 80 13.084 -1.345 4.449 1.00 0.00 H new ATOM 0 HD2 TYR A 80 11.798 2.711 4.665 1.00 0.00 H new ATOM 0 HE1 TYR A 80 14.528 -0.995 6.402 1.00 0.00 H new ATOM 0 HE2 TYR A 80 13.245 3.067 6.617 1.00 0.00 H new ATOM 0 HH TYR A 80 14.700 2.183 8.026 1.00 0.00 H new ATOM 1293 N GLY A 81 11.154 0.405 -0.042 1.00 0.00 N ATOM 1294 CA GLY A 81 10.252 0.309 -1.178 1.00 0.00 C ATOM 1295 C GLY A 81 10.214 -1.078 -1.790 1.00 0.00 C ATOM 1296 O GLY A 81 9.141 -1.616 -2.061 1.00 0.00 O ATOM 0 H GLY A 81 11.774 1.215 -0.057 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.247 0.588 -0.861 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.557 1.027 -1.939 1.00 0.00 H new ATOM 1300 N ALA A 82 11.388 -1.659 -2.009 1.00 0.00 N ATOM 1301 CA ALA A 82 11.485 -2.990 -2.596 1.00 0.00 C ATOM 1302 C ALA A 82 10.749 -4.024 -1.749 1.00 0.00 C ATOM 1303 O ALA A 82 10.321 -5.062 -2.255 1.00 0.00 O ATOM 1304 CB ALA A 82 12.945 -3.387 -2.761 1.00 0.00 C ATOM 0 H ALA A 82 12.286 -1.229 -1.789 1.00 0.00 H new ATOM 0 HA ALA A 82 11.011 -2.960 -3.577 1.00 0.00 H new ATOM 0 HB1 ALA A 82 13.004 -4.383 -3.200 1.00 0.00 H new ATOM 0 HB2 ALA A 82 13.445 -2.672 -3.414 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.433 -3.391 -1.787 1.00 0.00 H new ATOM 1310 N GLU A 83 10.605 -3.739 -0.458 1.00 0.00 N ATOM 1311 CA GLU A 83 9.922 -4.652 0.452 1.00 0.00 C ATOM 1312 C GLU A 83 8.459 -4.258 0.635 1.00 0.00 C ATOM 1313 O GLU A 83 7.557 -5.030 0.313 1.00 0.00 O ATOM 1314 CB GLU A 83 10.633 -4.676 1.807 1.00 0.00 C ATOM 1315 CG GLU A 83 11.340 -5.990 2.099 1.00 0.00 C ATOM 1316 CD GLU A 83 10.432 -7.193 1.929 1.00 0.00 C ATOM 1317 OE1 GLU A 83 9.665 -7.493 2.867 1.00 0.00 O ATOM 1318 OE2 GLU A 83 10.488 -7.834 0.858 1.00 0.00 O ATOM 0 H GLU A 83 10.951 -2.885 -0.020 1.00 0.00 H new ATOM 0 HA GLU A 83 9.952 -5.650 0.014 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.361 -3.866 1.840 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.904 -4.482 2.594 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.199 -6.091 1.435 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.725 -5.972 3.118 1.00 0.00 H new ATOM 1325 N VAL A 84 8.228 -3.056 1.159 1.00 0.00 N ATOM 1326 CA VAL A 84 6.868 -2.572 1.386 1.00 0.00 C ATOM 1327 C VAL A 84 5.995 -2.752 0.146 1.00 0.00 C ATOM 1328 O VAL A 84 4.940 -3.384 0.205 1.00 0.00 O ATOM 1329 CB VAL A 84 6.841 -1.085 1.803 1.00 0.00 C ATOM 1330 CG1 VAL A 84 7.020 -0.951 3.307 1.00 0.00 C ATOM 1331 CG2 VAL A 84 7.903 -0.284 1.059 1.00 0.00 C ATOM 0 H VAL A 84 8.961 -2.402 1.433 1.00 0.00 H new ATOM 0 HA VAL A 84 6.468 -3.173 2.202 1.00 0.00 H new ATOM 0 HB VAL A 84 5.867 -0.677 1.533 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.999 0.103 3.583 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.213 -1.477 3.818 1.00 0.00 H new ATOM 0 HG13 VAL A 84 7.977 -1.383 3.599 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.859 0.759 1.374 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.889 -0.690 1.284 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.721 -0.347 -0.014 1.00 0.00 H new ATOM 1341 N ILE A 85 6.442 -2.196 -0.976 1.00 0.00 N ATOM 1342 CA ILE A 85 5.698 -2.298 -2.227 1.00 0.00 C ATOM 1343 C ILE A 85 5.479 -3.753 -2.622 1.00 0.00 C ATOM 1344 O ILE A 85 4.509 -4.079 -3.302 1.00 0.00 O ATOM 1345 CB ILE A 85 6.420 -1.568 -3.377 1.00 0.00 C ATOM 1346 CG1 ILE A 85 6.713 -0.118 -2.986 1.00 0.00 C ATOM 1347 CG2 ILE A 85 5.583 -1.623 -4.648 1.00 0.00 C ATOM 1348 CD1 ILE A 85 7.304 0.705 -4.109 1.00 0.00 C ATOM 0 H ILE A 85 7.314 -1.671 -1.045 1.00 0.00 H new ATOM 0 HA ILE A 85 4.733 -1.822 -2.056 1.00 0.00 H new ATOM 0 HB ILE A 85 7.368 -2.070 -3.568 1.00 0.00 H new ATOM 0 HG12 ILE A 85 5.789 0.352 -2.649 1.00 0.00 H new ATOM 0 HG13 ILE A 85 7.401 -0.110 -2.140 1.00 0.00 H new ATOM 0 HG21 ILE A 85 6.106 -1.103 -5.451 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.422 -2.663 -4.933 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.621 -1.142 -4.471 1.00 0.00 H new ATOM 0 HD11 ILE A 85 7.485 1.721 -3.759 1.00 0.00 H new ATOM 0 HD12 ILE A 85 8.245 0.259 -4.431 1.00 0.00 H new ATOM 0 HD13 ILE A 85 6.608 0.729 -4.948 1.00 0.00 H new ATOM 1360 N SER A 86 6.383 -4.627 -2.193 1.00 0.00 N ATOM 1361 CA SER A 86 6.273 -6.045 -2.508 1.00 0.00 C ATOM 1362 C SER A 86 4.962 -6.609 -1.970 1.00 0.00 C ATOM 1363 O SER A 86 4.359 -7.498 -2.572 1.00 0.00 O ATOM 1364 CB SER A 86 7.457 -6.816 -1.919 1.00 0.00 C ATOM 1365 OG SER A 86 7.980 -7.742 -2.855 1.00 0.00 O ATOM 0 H SER A 86 7.196 -4.379 -1.629 1.00 0.00 H new ATOM 0 HA SER A 86 6.285 -6.159 -3.592 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.238 -6.117 -1.620 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.140 -7.344 -1.019 1.00 0.00 H new ATOM 0 HG SER A 86 8.736 -8.220 -2.455 1.00 0.00 H new ATOM 1371 N VAL A 87 4.529 -6.081 -0.831 1.00 0.00 N ATOM 1372 CA VAL A 87 3.290 -6.520 -0.200 1.00 0.00 C ATOM 1373 C VAL A 87 2.097 -5.693 -0.675 1.00 0.00 C ATOM 1374 O VAL A 87 0.948 -6.115 -0.542 1.00 0.00 O ATOM 1375 CB VAL A 87 3.380 -6.426 1.335 1.00 0.00 C ATOM 1376 CG1 VAL A 87 2.207 -7.145 1.983 1.00 0.00 C ATOM 1377 CG2 VAL A 87 4.702 -6.993 1.831 1.00 0.00 C ATOM 0 H VAL A 87 5.020 -5.345 -0.324 1.00 0.00 H new ATOM 0 HA VAL A 87 3.144 -7.560 -0.491 1.00 0.00 H new ATOM 0 HB VAL A 87 3.335 -5.374 1.618 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.287 -7.068 3.067 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.274 -6.688 1.655 1.00 0.00 H new ATOM 0 HG13 VAL A 87 2.218 -8.195 1.692 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.746 -6.917 2.917 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.782 -8.039 1.537 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.526 -6.429 1.395 1.00 0.00 H new ATOM 1387 N LEU A 88 2.371 -4.507 -1.215 1.00 0.00 N ATOM 1388 CA LEU A 88 1.312 -3.622 -1.689 1.00 0.00 C ATOM 1389 C LEU A 88 0.891 -3.951 -3.119 1.00 0.00 C ATOM 1390 O LEU A 88 -0.201 -3.581 -3.550 1.00 0.00 O ATOM 1391 CB LEU A 88 1.760 -2.163 -1.598 1.00 0.00 C ATOM 1392 CG LEU A 88 1.731 -1.568 -0.186 1.00 0.00 C ATOM 1393 CD1 LEU A 88 3.080 -0.964 0.168 1.00 0.00 C ATOM 1394 CD2 LEU A 88 0.627 -0.524 -0.060 1.00 0.00 C ATOM 0 H LEU A 88 3.315 -4.139 -1.334 1.00 0.00 H new ATOM 0 HA LEU A 88 0.446 -3.776 -1.045 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.774 -2.084 -1.989 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.121 -1.561 -2.244 1.00 0.00 H new ATOM 0 HG LEU A 88 1.519 -2.373 0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.039 -0.547 1.174 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.847 -1.737 0.127 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.323 -0.174 -0.543 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.626 -0.116 0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.802 0.279 -0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.338 -0.988 -0.265 1.00 0.00 H new ATOM 1406 N GLN A 89 1.755 -4.644 -3.855 1.00 0.00 N ATOM 1407 CA GLN A 89 1.456 -5.012 -5.235 1.00 0.00 C ATOM 1408 C GLN A 89 0.080 -5.667 -5.333 1.00 0.00 C ATOM 1409 O GLN A 89 -0.628 -5.512 -6.330 1.00 0.00 O ATOM 1410 CB GLN A 89 2.526 -5.962 -5.776 1.00 0.00 C ATOM 1411 CG GLN A 89 2.349 -6.308 -7.245 1.00 0.00 C ATOM 1412 CD GLN A 89 3.547 -5.916 -8.088 1.00 0.00 C ATOM 1413 OE1 GLN A 89 3.565 -4.852 -8.706 1.00 0.00 O ATOM 1414 NE2 GLN A 89 4.556 -6.778 -8.117 1.00 0.00 N ATOM 0 H GLN A 89 2.665 -4.961 -3.520 1.00 0.00 H new ATOM 0 HA GLN A 89 1.452 -4.103 -5.837 1.00 0.00 H new ATOM 0 HB2 GLN A 89 3.507 -5.509 -5.634 1.00 0.00 H new ATOM 0 HB3 GLN A 89 2.512 -6.882 -5.191 1.00 0.00 H new ATOM 0 HG2 GLN A 89 2.176 -7.380 -7.343 1.00 0.00 H new ATOM 0 HG3 GLN A 89 1.461 -5.805 -7.628 1.00 0.00 H new ATOM 0 HE21 GLN A 89 4.498 -7.649 -7.589 1.00 0.00 H new ATOM 0 HE22 GLN A 89 5.389 -6.570 -8.667 1.00 0.00 H new ATOM 1423 N LYS A 90 -0.293 -6.394 -4.283 1.00 0.00 N ATOM 1424 CA LYS A 90 -1.584 -7.070 -4.240 1.00 0.00 C ATOM 1425 C LYS A 90 -2.725 -6.058 -4.245 1.00 0.00 C ATOM 1426 O LYS A 90 -3.710 -6.223 -4.964 1.00 0.00 O ATOM 1427 CB LYS A 90 -1.678 -7.957 -2.997 1.00 0.00 C ATOM 1428 CG LYS A 90 -0.418 -8.769 -2.735 1.00 0.00 C ATOM 1429 CD LYS A 90 -0.716 -10.257 -2.630 1.00 0.00 C ATOM 1430 CE LYS A 90 -0.608 -10.747 -1.195 1.00 0.00 C ATOM 1431 NZ LYS A 90 0.795 -11.081 -0.829 1.00 0.00 N ATOM 0 H LYS A 90 0.281 -6.529 -3.451 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.671 -7.694 -5.129 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.885 -7.331 -2.129 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.523 -8.637 -3.108 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.298 -8.598 -3.538 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.050 -8.426 -1.812 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.718 -10.456 -3.009 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.021 -10.814 -3.259 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.987 -9.980 -0.520 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.237 -11.627 -1.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 0.827 -11.411 0.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.149 -11.831 -1.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.391 -10.235 -0.930 1.00 0.00 H new ATOM 1445 N TYR A 91 -2.583 -5.008 -3.442 1.00 0.00 N ATOM 1446 CA TYR A 91 -3.605 -3.968 -3.363 1.00 0.00 C ATOM 1447 C TYR A 91 -3.768 -3.279 -4.712 1.00 0.00 C ATOM 1448 O TYR A 91 -4.878 -2.932 -5.115 1.00 0.00 O ATOM 1449 CB TYR A 91 -3.248 -2.931 -2.293 1.00 0.00 C ATOM 1450 CG TYR A 91 -2.582 -3.508 -1.061 1.00 0.00 C ATOM 1451 CD1 TYR A 91 -2.881 -4.789 -0.615 1.00 0.00 C ATOM 1452 CD2 TYR A 91 -1.651 -2.765 -0.346 1.00 0.00 C ATOM 1453 CE1 TYR A 91 -2.269 -5.313 0.508 1.00 0.00 C ATOM 1454 CE2 TYR A 91 -1.036 -3.284 0.777 1.00 0.00 C ATOM 1455 CZ TYR A 91 -1.347 -4.557 1.200 1.00 0.00 C ATOM 1456 OH TYR A 91 -0.736 -5.076 2.317 1.00 0.00 O ATOM 0 H TYR A 91 -1.775 -4.854 -2.839 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.547 -4.443 -3.088 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.586 -2.185 -2.733 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.157 -2.411 -1.990 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -3.603 -5.385 -1.154 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -1.404 -1.766 -0.673 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -2.512 -6.311 0.842 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -0.314 -2.693 1.321 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.994 -6.015 2.424 1.00 0.00 H new ATOM 1466 N SER A 92 -2.651 -3.089 -5.409 1.00 0.00 N ATOM 1467 CA SER A 92 -2.664 -2.447 -6.718 1.00 0.00 C ATOM 1468 C SER A 92 -3.581 -3.196 -7.679 1.00 0.00 C ATOM 1469 O SER A 92 -4.168 -2.602 -8.583 1.00 0.00 O ATOM 1470 CB SER A 92 -1.248 -2.380 -7.292 1.00 0.00 C ATOM 1471 OG SER A 92 -0.620 -1.154 -6.962 1.00 0.00 O ATOM 0 H SER A 92 -1.725 -3.371 -5.088 1.00 0.00 H new ATOM 0 HA SER A 92 -3.045 -1.433 -6.595 1.00 0.00 H new ATOM 0 HB2 SER A 92 -0.656 -3.210 -6.906 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.286 -2.492 -8.376 1.00 0.00 H new ATOM 0 HG SER A 92 0.182 -1.038 -7.514 1.00 0.00 H new ATOM 1477 N GLU A 93 -3.700 -4.503 -7.474 1.00 0.00 N ATOM 1478 CA GLU A 93 -4.547 -5.336 -8.321 1.00 0.00 C ATOM 1479 C GLU A 93 -6.007 -5.263 -7.878 1.00 0.00 C ATOM 1480 O GLU A 93 -6.918 -5.500 -8.672 1.00 0.00 O ATOM 1481 CB GLU A 93 -4.064 -6.787 -8.289 1.00 0.00 C ATOM 1482 CG GLU A 93 -4.656 -7.649 -9.393 1.00 0.00 C ATOM 1483 CD GLU A 93 -3.633 -8.042 -10.441 1.00 0.00 C ATOM 1484 OE1 GLU A 93 -2.652 -8.728 -10.085 1.00 0.00 O ATOM 1485 OE2 GLU A 93 -3.812 -7.662 -11.618 1.00 0.00 O ATOM 0 H GLU A 93 -3.221 -5.009 -6.729 1.00 0.00 H new ATOM 0 HA GLU A 93 -4.479 -4.958 -9.341 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.977 -6.801 -8.371 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.316 -7.224 -7.323 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -5.085 -8.550 -8.954 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -5.472 -7.108 -9.873 1.00 0.00 H new ATOM 1492 N TRP A 94 -6.224 -4.936 -6.607 1.00 0.00 N ATOM 1493 CA TRP A 94 -7.575 -4.837 -6.062 1.00 0.00 C ATOM 1494 C TRP A 94 -8.166 -3.451 -6.306 1.00 0.00 C ATOM 1495 O TRP A 94 -9.360 -3.314 -6.571 1.00 0.00 O ATOM 1496 CB TRP A 94 -7.566 -5.143 -4.564 1.00 0.00 C ATOM 1497 CG TRP A 94 -7.657 -6.607 -4.258 1.00 0.00 C ATOM 1498 CD1 TRP A 94 -6.658 -7.532 -4.375 1.00 0.00 C ATOM 1499 CD2 TRP A 94 -8.808 -7.316 -3.786 1.00 0.00 C ATOM 1500 NE1 TRP A 94 -7.119 -8.773 -4.005 1.00 0.00 N ATOM 1501 CE2 TRP A 94 -8.436 -8.665 -3.638 1.00 0.00 C ATOM 1502 CE3 TRP A 94 -10.117 -6.941 -3.474 1.00 0.00 C ATOM 1503 CZ2 TRP A 94 -9.326 -9.640 -3.192 1.00 0.00 C ATOM 1504 CZ3 TRP A 94 -11.000 -7.908 -3.030 1.00 0.00 C ATOM 1505 CH2 TRP A 94 -10.601 -9.243 -2.893 1.00 0.00 C ATOM 0 H TRP A 94 -5.483 -4.735 -5.936 1.00 0.00 H new ATOM 0 HA TRP A 94 -8.198 -5.570 -6.574 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -6.653 -4.743 -4.124 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -8.401 -4.627 -4.090 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -5.653 -7.319 -4.709 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -6.571 -9.633 -4.004 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -10.434 -5.914 -3.578 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -9.021 -10.671 -3.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -12.014 -7.629 -2.785 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -11.314 -9.975 -2.544 1.00 0.00 H new ATOM 1516 N THR A 95 -7.325 -2.427 -6.212 1.00 0.00 N ATOM 1517 CA THR A 95 -7.769 -1.052 -6.420 1.00 0.00 C ATOM 1518 C THR A 95 -8.157 -0.813 -7.877 1.00 0.00 C ATOM 1519 O THR A 95 -8.970 0.063 -8.175 1.00 0.00 O ATOM 1520 CB THR A 95 -6.678 -0.068 -6.004 1.00 0.00 C ATOM 1521 OG1 THR A 95 -6.980 1.238 -6.458 1.00 0.00 O ATOM 1522 CG2 THR A 95 -5.315 -0.436 -6.536 1.00 0.00 C ATOM 0 H THR A 95 -6.333 -2.522 -5.993 1.00 0.00 H new ATOM 0 HA THR A 95 -8.650 -0.890 -5.799 1.00 0.00 H new ATOM 0 HB THR A 95 -6.650 -0.108 -4.915 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.270 1.853 -6.180 1.00 0.00 H new ATOM 0 HG21 THR A 95 -4.584 0.302 -6.206 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.032 -1.420 -6.162 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.343 -0.456 -7.625 1.00 0.00 H new ATOM 1530 N SER A 96 -7.570 -1.591 -8.781 1.00 0.00 N ATOM 1531 CA SER A 96 -7.857 -1.457 -10.204 1.00 0.00 C ATOM 1532 C SER A 96 -9.118 -2.233 -10.583 1.00 0.00 C ATOM 1533 O SER A 96 -9.338 -3.346 -10.103 1.00 0.00 O ATOM 1534 CB SER A 96 -6.672 -1.955 -11.033 1.00 0.00 C ATOM 1535 OG SER A 96 -5.590 -1.041 -10.975 1.00 0.00 O ATOM 0 H SER A 96 -6.894 -2.320 -8.553 1.00 0.00 H new ATOM 0 HA SER A 96 -8.024 -0.401 -10.416 1.00 0.00 H new ATOM 0 HB2 SER A 96 -6.350 -2.929 -10.664 1.00 0.00 H new ATOM 0 HB3 SER A 96 -6.981 -2.093 -12.069 1.00 0.00 H new ATOM 0 HG SER A 96 -4.976 -1.306 -10.258 1.00 0.00 H new ATOM 1541 N PRO A 97 -9.967 -1.655 -11.451 1.00 0.00 N ATOM 1542 CA PRO A 97 -11.207 -2.300 -11.890 1.00 0.00 C ATOM 1543 C PRO A 97 -10.958 -3.409 -12.906 1.00 0.00 C ATOM 1544 O PRO A 97 -10.090 -3.289 -13.771 1.00 0.00 O ATOM 1545 CB PRO A 97 -11.986 -1.154 -12.532 1.00 0.00 C ATOM 1546 CG PRO A 97 -10.937 -0.227 -13.040 1.00 0.00 C ATOM 1547 CD PRO A 97 -9.786 -0.329 -12.073 1.00 0.00 C ATOM 0 HA PRO A 97 -11.730 -2.785 -11.066 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -12.624 -1.512 -13.340 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -12.635 -0.661 -11.808 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -10.626 -0.505 -14.047 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -11.312 0.795 -13.093 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -8.826 -0.254 -12.584 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -9.815 0.469 -11.331 1.00 0.00 H new ATOM 1555 N ALA A 98 -11.725 -4.489 -12.797 1.00 0.00 N ATOM 1556 CA ALA A 98 -11.588 -5.621 -13.708 1.00 0.00 C ATOM 1557 C ALA A 98 -10.172 -6.189 -13.670 1.00 0.00 C ATOM 1558 O ALA A 98 -9.454 -6.160 -14.670 1.00 0.00 O ATOM 1559 CB ALA A 98 -11.957 -5.204 -15.123 1.00 0.00 C ATOM 0 H ALA A 98 -12.448 -4.605 -12.087 1.00 0.00 H new ATOM 0 HA ALA A 98 -12.272 -6.405 -13.382 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -11.851 -6.057 -15.793 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -12.989 -4.854 -15.142 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.296 -4.401 -15.450 1.00 0.00 H new ATOM 1565 N GLU A 99 -9.779 -6.707 -12.511 1.00 0.00 N ATOM 1566 CA GLU A 99 -8.450 -7.283 -12.344 1.00 0.00 C ATOM 1567 C GLU A 99 -8.449 -8.331 -11.235 1.00 0.00 C ATOM 1568 O GLU A 99 -8.048 -9.476 -11.450 1.00 0.00 O ATOM 1569 CB GLU A 99 -7.431 -6.186 -12.028 1.00 0.00 C ATOM 1570 CG GLU A 99 -6.704 -5.658 -13.253 1.00 0.00 C ATOM 1571 CD GLU A 99 -5.346 -6.304 -13.448 1.00 0.00 C ATOM 1572 OE1 GLU A 99 -5.302 -7.519 -13.735 1.00 0.00 O ATOM 1573 OE2 GLU A 99 -4.327 -5.595 -13.313 1.00 0.00 O ATOM 0 H GLU A 99 -10.361 -6.740 -11.674 1.00 0.00 H new ATOM 0 HA GLU A 99 -8.170 -7.768 -13.279 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -7.942 -5.359 -11.535 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.698 -6.575 -11.321 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -7.316 -5.833 -14.138 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -6.579 -4.579 -13.160 1.00 0.00 H new ATOM 1580 N ASP A 100 -8.897 -7.932 -10.050 1.00 0.00 N ATOM 1581 CA ASP A 100 -8.947 -8.836 -8.907 1.00 0.00 C ATOM 1582 C ASP A 100 -10.091 -9.835 -9.052 1.00 0.00 C ATOM 1583 O ASP A 100 -11.122 -9.530 -9.651 1.00 0.00 O ATOM 1584 CB ASP A 100 -9.108 -8.043 -7.610 1.00 0.00 C ATOM 1585 CG ASP A 100 -10.255 -7.054 -7.675 1.00 0.00 C ATOM 1586 OD1 ASP A 100 -10.046 -5.936 -8.189 1.00 0.00 O ATOM 1587 OD2 ASP A 100 -11.363 -7.399 -7.213 1.00 0.00 O ATOM 0 H ASP A 100 -9.231 -6.988 -9.856 1.00 0.00 H new ATOM 0 HA ASP A 100 -8.009 -9.389 -8.872 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -9.274 -8.734 -6.783 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -8.182 -7.508 -7.397 1.00 0.00 H new ATOM 1592 N SER A 101 -9.902 -11.028 -8.499 1.00 0.00 N ATOM 1593 CA SER A 101 -10.918 -12.072 -8.566 1.00 0.00 C ATOM 1594 C SER A 101 -11.218 -12.447 -10.014 1.00 0.00 C ATOM 1595 O SER A 101 -12.201 -13.183 -10.242 1.00 0.00 O ATOM 1596 CB SER A 101 -12.200 -11.610 -7.871 1.00 0.00 C ATOM 1597 OG SER A 101 -13.185 -12.628 -7.887 1.00 0.00 O ATOM 1598 OXT SER A 101 -10.468 -12.001 -10.908 1.00 0.00 O ATOM 0 H SER A 101 -9.054 -11.296 -7.999 1.00 0.00 H new ATOM 0 HA SER A 101 -10.532 -12.953 -8.054 1.00 0.00 H new ATOM 0 HB2 SER A 101 -11.978 -11.331 -6.841 1.00 0.00 H new ATOM 0 HB3 SER A 101 -12.585 -10.719 -8.367 1.00 0.00 H new ATOM 0 HG SER A 101 -13.203 -13.052 -8.770 1.00 0.00 H new TER 1604 SER A 101