USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 684 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 14 GLN : amide:sc= 0 K(o=-0.032,f=-0.7) USER MOD Set 1.2: A 17 GLN : amide:sc= -0.0321 K(o=-0.032,f=-0.7) USER MOD Set 2.1: A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 10 SER OG : rot 180:sc= 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 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -8.09! C(o=-8.1!,f=-13!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 165:sc= -1.65 USER MOD Single : A 30 SER OG : rot 60:sc= 0.894 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -2.47! C(o=-2.5!,f=-2.5!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.0591 K(o=-0.059,f=-2) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 28:sc= 0.171 USER MOD Single : A 57 ASN : amide:sc= -3.27! C(o=-3.3!,f=-19!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -116:sc= 0.192 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -1.02 X(o=-1,f=-0.55) USER MOD Single : A 69 MET CE :methyl 137:sc= -2.67! (180deg=-7.99!) USER MOD Single : A 72 GLN : amide:sc= -0.666 K(o=-0.67,f=-1.6) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 172:sc= -1.84 (180deg=-2.21) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -30:sc= -1.84! USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 57:sc= 1.22 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.583 -9.630 -8.238 1.00 0.00 N ATOM 2 CA GLY A 1 -6.648 -9.168 -9.614 1.00 0.00 C ATOM 3 C GLY A 1 -8.099 -9.023 -10.076 1.00 0.00 C ATOM 4 O GLY A 1 -8.762 -10.016 -10.371 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.588 -9.720 -7.949 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.063 -8.946 -7.619 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.051 -10.555 -8.160 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.137 -8.210 -9.704 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.125 -9.871 -10.262 1.00 0.00 H new ATOM 8 N SER A 2 -8.549 -7.777 -10.125 1.00 0.00 N ATOM 9 CA SER A 2 -9.909 -7.490 -10.547 1.00 0.00 C ATOM 10 C SER A 2 -10.008 -7.550 -12.072 1.00 0.00 C ATOM 11 O SER A 2 -10.787 -8.331 -12.617 1.00 0.00 O ATOM 12 CB SER A 2 -10.365 -6.120 -10.039 1.00 0.00 C ATOM 13 OG SER A 2 -11.245 -6.230 -8.923 1.00 0.00 O ATOM 0 H SER A 2 -7.996 -6.956 -9.880 1.00 0.00 H new ATOM 0 HA SER A 2 -10.567 -8.245 -10.117 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.493 -5.530 -9.757 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.866 -5.583 -10.844 1.00 0.00 H new ATOM 0 HG SER A 2 -11.512 -5.335 -8.627 1.00 0.00 H new ATOM 19 N SER A 3 -9.208 -6.715 -12.719 1.00 0.00 N ATOM 20 CA SER A 3 -9.196 -6.663 -14.171 1.00 0.00 C ATOM 21 C SER A 3 -7.798 -6.997 -14.694 1.00 0.00 C ATOM 22 O SER A 3 -6.980 -6.103 -14.906 1.00 0.00 O ATOM 23 CB SER A 3 -9.638 -5.289 -14.677 1.00 0.00 C ATOM 24 OG SER A 3 -10.975 -4.983 -14.291 1.00 0.00 O ATOM 0 H SER A 3 -8.563 -6.069 -12.264 1.00 0.00 H new ATOM 0 HA SER A 3 -9.904 -7.402 -14.546 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.964 -4.525 -14.288 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.559 -5.260 -15.764 1.00 0.00 H new ATOM 0 HG SER A 3 -11.219 -4.097 -14.632 1.00 0.00 H new ATOM 30 N GLY A 4 -7.566 -8.287 -14.888 1.00 0.00 N ATOM 31 CA GLY A 4 -6.281 -8.751 -15.383 1.00 0.00 C ATOM 32 C GLY A 4 -5.675 -9.795 -14.443 1.00 0.00 C ATOM 33 O GLY A 4 -6.013 -9.842 -13.261 1.00 0.00 O ATOM 0 H GLY A 4 -8.247 -9.026 -14.711 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.404 -9.180 -16.378 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.599 -7.906 -15.482 1.00 0.00 H new ATOM 37 N SER A 5 -4.792 -10.608 -15.004 1.00 0.00 N ATOM 38 CA SER A 5 -4.136 -11.649 -14.231 1.00 0.00 C ATOM 39 C SER A 5 -2.732 -11.196 -13.828 1.00 0.00 C ATOM 40 O SER A 5 -2.068 -10.481 -14.576 1.00 0.00 O ATOM 41 CB SER A 5 -4.066 -12.958 -15.019 1.00 0.00 C ATOM 42 OG SER A 5 -5.353 -13.391 -15.452 1.00 0.00 O ATOM 0 H SER A 5 -4.515 -10.567 -15.985 1.00 0.00 H new ATOM 0 HA SER A 5 -4.724 -11.829 -13.331 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.418 -12.825 -15.885 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.614 -13.731 -14.398 1.00 0.00 H new ATOM 0 HG SER A 5 -5.265 -14.229 -15.953 1.00 0.00 H new ATOM 48 N SER A 6 -2.321 -11.631 -12.645 1.00 0.00 N ATOM 49 CA SER A 6 -1.007 -11.279 -12.134 1.00 0.00 C ATOM 50 C SER A 6 -0.901 -9.761 -11.966 1.00 0.00 C ATOM 51 O SER A 6 -0.525 -9.055 -12.900 1.00 0.00 O ATOM 52 CB SER A 6 0.099 -11.789 -13.059 1.00 0.00 C ATOM 53 OG SER A 6 0.325 -13.187 -12.899 1.00 0.00 O ATOM 0 H SER A 6 -2.875 -12.224 -12.026 1.00 0.00 H new ATOM 0 HA SER A 6 -0.879 -11.756 -11.162 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.170 -11.581 -14.095 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.022 -11.247 -12.854 1.00 0.00 H new ATOM 0 HG SER A 6 1.037 -13.475 -13.508 1.00 0.00 H new ATOM 59 N GLY A 7 -1.238 -9.305 -10.769 1.00 0.00 N ATOM 60 CA GLY A 7 -1.185 -7.885 -10.467 1.00 0.00 C ATOM 61 C GLY A 7 -0.385 -7.626 -9.188 1.00 0.00 C ATOM 62 O GLY A 7 0.053 -8.565 -8.525 1.00 0.00 O ATOM 0 H GLY A 7 -1.549 -9.894 -9.996 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.730 -7.349 -11.300 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.197 -7.496 -10.353 1.00 0.00 H new ATOM 66 N PRO A 8 -0.214 -6.314 -8.873 1.00 0.00 N ATOM 67 CA PRO A 8 0.525 -5.920 -7.686 1.00 0.00 C ATOM 68 C PRO A 8 -0.304 -6.152 -6.421 1.00 0.00 C ATOM 69 O PRO A 8 0.244 -6.454 -5.362 1.00 0.00 O ATOM 70 CB PRO A 8 0.874 -4.457 -7.908 1.00 0.00 C ATOM 71 CG PRO A 8 -0.075 -3.961 -8.987 1.00 0.00 C ATOM 72 CD PRO A 8 -0.719 -5.176 -9.635 1.00 0.00 C ATOM 0 HA PRO A 8 1.427 -6.513 -7.536 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.755 -3.883 -6.989 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.912 -4.346 -8.220 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.836 -3.310 -8.557 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.465 -3.373 -9.730 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.807 -5.120 -9.589 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.448 -5.253 -10.688 1.00 0.00 H new ATOM 80 N ILE A 9 -1.611 -6.001 -6.574 1.00 0.00 N ATOM 81 CA ILE A 9 -2.522 -6.190 -5.457 1.00 0.00 C ATOM 82 C ILE A 9 -2.446 -7.643 -4.983 1.00 0.00 C ATOM 83 O ILE A 9 -1.970 -7.917 -3.883 1.00 0.00 O ATOM 84 CB ILE A 9 -3.934 -5.738 -5.835 1.00 0.00 C ATOM 85 CG1 ILE A 9 -3.907 -4.373 -6.525 1.00 0.00 C ATOM 86 CG2 ILE A 9 -4.857 -5.746 -4.614 1.00 0.00 C ATOM 87 CD1 ILE A 9 -3.074 -3.370 -5.724 1.00 0.00 C ATOM 0 H ILE A 9 -2.061 -5.750 -7.454 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.228 -5.564 -4.614 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.341 -6.452 -6.551 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.493 -4.477 -7.528 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.924 -3.998 -6.638 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.854 -5.421 -4.910 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.911 -6.755 -4.205 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.464 -5.068 -3.856 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.071 -2.408 -6.236 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.505 -3.250 -4.730 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.051 -3.736 -5.634 1.00 0.00 H new ATOM 99 N SER A 10 -2.924 -8.535 -5.838 1.00 0.00 N ATOM 100 CA SER A 10 -2.917 -9.953 -5.521 1.00 0.00 C ATOM 101 C SER A 10 -1.567 -10.348 -4.918 1.00 0.00 C ATOM 102 O SER A 10 -1.511 -10.890 -3.815 1.00 0.00 O ATOM 103 CB SER A 10 -3.209 -10.797 -6.763 1.00 0.00 C ATOM 104 OG SER A 10 -4.396 -11.571 -6.615 1.00 0.00 O ATOM 0 H SER A 10 -3.319 -8.303 -6.750 1.00 0.00 H new ATOM 0 HA SER A 10 -3.704 -10.143 -4.792 1.00 0.00 H new ATOM 0 HB2 SER A 10 -3.308 -10.144 -7.630 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.366 -11.460 -6.957 1.00 0.00 H new ATOM 0 HG SER A 10 -4.549 -12.094 -7.429 1.00 0.00 H new ATOM 110 N ARG A 11 -0.513 -10.060 -5.667 1.00 0.00 N ATOM 111 CA ARG A 11 0.832 -10.378 -5.220 1.00 0.00 C ATOM 112 C ARG A 11 1.001 -10.013 -3.744 1.00 0.00 C ATOM 113 O ARG A 11 1.508 -10.812 -2.957 1.00 0.00 O ATOM 114 CB ARG A 11 1.879 -9.628 -6.046 1.00 0.00 C ATOM 115 CG ARG A 11 3.070 -10.532 -6.374 1.00 0.00 C ATOM 116 CD ARG A 11 3.517 -10.345 -7.825 1.00 0.00 C ATOM 117 NE ARG A 11 3.753 -11.662 -8.456 1.00 0.00 N ATOM 118 CZ ARG A 11 2.778 -12.484 -8.868 1.00 0.00 C ATOM 119 NH1 ARG A 11 1.495 -12.128 -8.718 1.00 0.00 N ATOM 120 NH2 ARG A 11 3.085 -13.660 -9.430 1.00 0.00 N ATOM 0 H ARG A 11 -0.563 -9.610 -6.581 1.00 0.00 H new ATOM 0 HA ARG A 11 0.980 -11.450 -5.353 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.427 -9.266 -6.970 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.223 -8.753 -5.495 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.898 -10.306 -5.703 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.798 -11.574 -6.205 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.756 -9.798 -8.381 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.428 -9.748 -7.859 1.00 0.00 H new ATOM 0 HE ARG A 11 4.719 -11.963 -8.586 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.261 -11.232 -8.291 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.752 -12.753 -9.031 1.00 0.00 H new ATOM 0 HH21 ARG A 11 4.062 -13.931 -9.545 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.342 -14.285 -9.743 1.00 0.00 H new ATOM 134 N LEU A 12 0.567 -8.807 -3.412 1.00 0.00 N ATOM 135 CA LEU A 12 0.663 -8.326 -2.044 1.00 0.00 C ATOM 136 C LEU A 12 -0.261 -9.156 -1.150 1.00 0.00 C ATOM 137 O LEU A 12 0.157 -9.641 -0.100 1.00 0.00 O ATOM 138 CB LEU A 12 0.389 -6.822 -1.984 1.00 0.00 C ATOM 139 CG LEU A 12 1.200 -6.034 -0.953 1.00 0.00 C ATOM 140 CD1 LEU A 12 0.541 -4.686 -0.651 1.00 0.00 C ATOM 141 CD2 LEU A 12 1.424 -6.859 0.316 1.00 0.00 C ATOM 0 H LEU A 12 0.147 -8.147 -4.067 1.00 0.00 H new ATOM 0 HA LEU A 12 1.676 -8.457 -1.665 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.581 -6.398 -2.970 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.670 -6.674 -1.774 1.00 0.00 H new ATOM 0 HG LEU A 12 2.182 -5.825 -1.378 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.137 -4.146 0.085 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.476 -4.099 -1.567 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.461 -4.851 -0.255 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.003 -6.275 1.032 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.461 -7.120 0.755 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.968 -7.770 0.066 1.00 0.00 H new ATOM 153 N ALA A 13 -1.499 -9.293 -1.600 1.00 0.00 N ATOM 154 CA ALA A 13 -2.486 -10.056 -0.854 1.00 0.00 C ATOM 155 C ALA A 13 -1.939 -11.458 -0.579 1.00 0.00 C ATOM 156 O ALA A 13 -2.066 -11.971 0.532 1.00 0.00 O ATOM 157 CB ALA A 13 -3.803 -10.087 -1.632 1.00 0.00 C ATOM 0 H ALA A 13 -1.842 -8.889 -2.472 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.687 -9.585 0.108 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.543 -10.659 -1.072 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.165 -9.069 -1.776 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.641 -10.555 -2.603 1.00 0.00 H new ATOM 163 N GLN A 14 -1.341 -12.038 -1.609 1.00 0.00 N ATOM 164 CA GLN A 14 -0.774 -13.371 -1.492 1.00 0.00 C ATOM 165 C GLN A 14 0.351 -13.380 -0.456 1.00 0.00 C ATOM 166 O GLN A 14 0.618 -14.406 0.167 1.00 0.00 O ATOM 167 CB GLN A 14 -0.276 -13.876 -2.848 1.00 0.00 C ATOM 168 CG GLN A 14 -1.419 -14.490 -3.658 1.00 0.00 C ATOM 169 CD GLN A 14 -0.951 -15.742 -4.404 1.00 0.00 C ATOM 170 OE1 GLN A 14 -1.031 -16.855 -3.912 1.00 0.00 O ATOM 171 NE2 GLN A 14 -0.460 -15.497 -5.616 1.00 0.00 N ATOM 0 H GLN A 14 -1.237 -11.609 -2.529 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.557 -14.050 -1.154 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.168 -13.052 -3.406 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.508 -14.618 -2.698 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.244 -14.745 -2.993 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.799 -13.758 -4.371 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.422 -14.540 -5.967 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.121 -16.266 -6.194 1.00 0.00 H new ATOM 180 N ILE A 15 0.981 -12.224 -0.304 1.00 0.00 N ATOM 181 CA ILE A 15 2.072 -12.086 0.646 1.00 0.00 C ATOM 182 C ILE A 15 1.498 -11.895 2.051 1.00 0.00 C ATOM 183 O ILE A 15 2.096 -12.329 3.034 1.00 0.00 O ATOM 184 CB ILE A 15 3.022 -10.968 0.212 1.00 0.00 C ATOM 185 CG1 ILE A 15 3.688 -11.302 -1.125 1.00 0.00 C ATOM 186 CG2 ILE A 15 4.050 -10.666 1.305 1.00 0.00 C ATOM 187 CD1 ILE A 15 4.113 -10.029 -1.859 1.00 0.00 C ATOM 0 H ILE A 15 0.757 -11.375 -0.823 1.00 0.00 H new ATOM 0 HA ILE A 15 2.675 -12.994 0.669 1.00 0.00 H new ATOM 0 HB ILE A 15 2.436 -10.061 0.062 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.559 -11.935 -0.954 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.997 -11.871 -1.747 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.713 -9.868 0.971 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.534 -10.353 2.213 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.636 -11.562 1.511 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.583 -10.295 -2.806 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.237 -9.410 -2.050 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.822 -9.474 -1.245 1.00 0.00 H new ATOM 199 N GLN A 16 0.345 -11.244 2.101 1.00 0.00 N ATOM 200 CA GLN A 16 -0.317 -10.989 3.369 1.00 0.00 C ATOM 201 C GLN A 16 -0.893 -12.288 3.937 1.00 0.00 C ATOM 202 O GLN A 16 -0.975 -12.456 5.152 1.00 0.00 O ATOM 203 CB GLN A 16 -1.406 -9.926 3.216 1.00 0.00 C ATOM 204 CG GLN A 16 -0.821 -8.613 2.691 1.00 0.00 C ATOM 205 CD GLN A 16 0.573 -8.364 3.271 1.00 0.00 C ATOM 206 OE1 GLN A 16 1.541 -8.155 2.558 1.00 0.00 O ATOM 207 NE2 GLN A 16 0.621 -8.399 4.599 1.00 0.00 N ATOM 0 H GLN A 16 -0.148 -10.885 1.283 1.00 0.00 H new ATOM 0 HA GLN A 16 0.422 -10.604 4.072 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.176 -10.284 2.532 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.889 -9.754 4.178 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -0.766 -8.644 1.603 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.481 -7.786 2.953 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.228 -8.579 5.135 1.00 0.00 H new ATOM 0 HE22 GLN A 16 1.506 -8.246 5.082 1.00 0.00 H new ATOM 216 N GLN A 17 -1.279 -13.173 3.029 1.00 0.00 N ATOM 217 CA GLN A 17 -1.846 -14.451 3.424 1.00 0.00 C ATOM 218 C GLN A 17 -0.733 -15.470 3.676 1.00 0.00 C ATOM 219 O GLN A 17 -0.773 -16.207 4.660 1.00 0.00 O ATOM 220 CB GLN A 17 -2.831 -14.963 2.371 1.00 0.00 C ATOM 221 CG GLN A 17 -2.107 -15.767 1.289 1.00 0.00 C ATOM 222 CD GLN A 17 -3.089 -16.264 0.226 1.00 0.00 C ATOM 223 OE1 GLN A 17 -4.278 -16.407 0.461 1.00 0.00 O ATOM 224 NE2 GLN A 17 -2.528 -16.517 -0.953 1.00 0.00 N ATOM 0 H GLN A 17 -1.210 -13.030 2.021 1.00 0.00 H new ATOM 0 HA GLN A 17 -2.399 -14.310 4.352 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.587 -15.587 2.848 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.353 -14.121 1.916 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.342 -15.147 0.821 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -1.596 -16.616 1.743 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -1.526 -16.376 -1.082 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.100 -16.852 -1.728 1.00 0.00 H new ATOM 233 N ALA A 18 0.233 -15.480 2.769 1.00 0.00 N ATOM 234 CA ALA A 18 1.355 -16.396 2.881 1.00 0.00 C ATOM 235 C ALA A 18 2.147 -16.074 4.149 1.00 0.00 C ATOM 236 O ALA A 18 2.721 -16.967 4.771 1.00 0.00 O ATOM 237 CB ALA A 18 2.214 -16.308 1.618 1.00 0.00 C ATOM 0 H ALA A 18 0.262 -14.868 1.953 1.00 0.00 H new ATOM 0 HA ALA A 18 1.004 -17.424 2.965 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.056 -16.995 1.702 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.612 -16.576 0.749 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.587 -15.290 1.502 1.00 0.00 H new ATOM 243 N ARG A 19 2.154 -14.795 4.495 1.00 0.00 N ATOM 244 CA ARG A 19 2.867 -14.344 5.678 1.00 0.00 C ATOM 245 C ARG A 19 2.061 -14.666 6.938 1.00 0.00 C ATOM 246 O ARG A 19 2.609 -14.694 8.039 1.00 0.00 O ATOM 247 CB ARG A 19 3.131 -12.838 5.621 1.00 0.00 C ATOM 248 CG ARG A 19 4.349 -12.527 4.748 1.00 0.00 C ATOM 249 CD ARG A 19 4.649 -11.027 4.739 1.00 0.00 C ATOM 250 NE ARG A 19 6.098 -10.799 4.935 1.00 0.00 N ATOM 251 CZ ARG A 19 6.706 -9.620 4.745 1.00 0.00 C ATOM 252 NH1 ARG A 19 5.994 -8.555 4.353 1.00 0.00 N ATOM 253 NH2 ARG A 19 8.025 -9.507 4.947 1.00 0.00 N ATOM 0 H ARG A 19 1.677 -14.057 3.977 1.00 0.00 H new ATOM 0 HA ARG A 19 3.822 -14.868 5.710 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.254 -12.326 5.224 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.294 -12.455 6.629 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.216 -13.073 5.120 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.168 -12.871 3.730 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.328 -10.589 3.794 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.084 -10.530 5.528 1.00 0.00 H new ATOM 0 HE ARG A 19 6.670 -11.589 5.234 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.989 -8.642 4.199 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.457 -7.657 4.208 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.567 -10.318 5.245 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.488 -8.610 4.802 1.00 0.00 H new ATOM 267 N LYS A 20 0.773 -14.900 6.735 1.00 0.00 N ATOM 268 CA LYS A 20 -0.113 -15.219 7.841 1.00 0.00 C ATOM 269 C LYS A 20 -0.248 -13.996 8.750 1.00 0.00 C ATOM 270 O LYS A 20 -0.537 -14.130 9.938 1.00 0.00 O ATOM 271 CB LYS A 20 0.368 -16.476 8.568 1.00 0.00 C ATOM 272 CG LYS A 20 -0.019 -17.739 7.796 1.00 0.00 C ATOM 273 CD LYS A 20 -0.491 -18.841 8.747 1.00 0.00 C ATOM 274 CE LYS A 20 -0.472 -20.206 8.057 1.00 0.00 C ATOM 275 NZ LYS A 20 -1.237 -21.196 8.847 1.00 0.00 N ATOM 0 H LYS A 20 0.322 -14.875 5.821 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.112 -15.455 7.473 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.450 -16.438 8.690 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.065 -16.510 9.568 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.810 -17.506 7.083 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.836 -18.093 7.219 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.151 -18.866 9.628 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.500 -18.619 9.094 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.899 -20.121 7.058 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.557 -20.545 7.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.214 -22.117 8.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.812 -21.289 9.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.223 -20.878 8.940 1.00 0.00 H new ATOM 289 N GLU A 21 -0.031 -12.831 8.158 1.00 0.00 N ATOM 290 CA GLU A 21 -0.124 -11.585 8.899 1.00 0.00 C ATOM 291 C GLU A 21 -1.543 -11.021 8.813 1.00 0.00 C ATOM 292 O GLU A 21 -2.303 -11.091 9.777 1.00 0.00 O ATOM 293 CB GLU A 21 0.903 -10.569 8.395 1.00 0.00 C ATOM 294 CG GLU A 21 2.330 -11.055 8.655 1.00 0.00 C ATOM 295 CD GLU A 21 2.703 -10.895 10.131 1.00 0.00 C ATOM 296 OE1 GLU A 21 2.637 -9.743 10.611 1.00 0.00 O ATOM 297 OE2 GLU A 21 3.047 -11.929 10.744 1.00 0.00 O ATOM 0 H GLU A 21 0.209 -12.724 7.173 1.00 0.00 H new ATOM 0 HA GLU A 21 0.101 -11.790 9.946 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.761 -10.402 7.327 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.745 -9.611 8.891 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.420 -12.102 8.365 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.028 -10.491 8.036 1.00 0.00 H new ATOM 304 N LYS A 22 -1.857 -10.473 7.648 1.00 0.00 N ATOM 305 CA LYS A 22 -3.172 -9.896 7.422 1.00 0.00 C ATOM 306 C LYS A 22 -3.163 -9.116 6.107 1.00 0.00 C ATOM 307 O LYS A 22 -2.232 -8.359 5.836 1.00 0.00 O ATOM 308 CB LYS A 22 -3.605 -9.062 8.630 1.00 0.00 C ATOM 309 CG LYS A 22 -4.715 -8.081 8.248 1.00 0.00 C ATOM 310 CD LYS A 22 -5.852 -8.113 9.272 1.00 0.00 C ATOM 311 CE LYS A 22 -7.208 -8.263 8.581 1.00 0.00 C ATOM 312 NZ LYS A 22 -7.954 -9.409 9.146 1.00 0.00 N ATOM 0 H LYS A 22 -1.224 -10.416 6.851 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.921 -10.681 7.321 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.954 -9.721 9.425 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.749 -8.513 9.024 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.307 -7.072 8.184 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.103 -8.332 7.261 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.699 -8.941 9.965 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -5.840 -7.197 9.863 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.788 -7.348 8.703 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.063 -8.408 7.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.872 -9.496 8.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.406 -10.282 9.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.109 -9.255 10.163 1.00 0.00 H new ATOM 326 N GLU A 23 -4.211 -9.326 5.323 1.00 0.00 N ATOM 327 CA GLU A 23 -4.335 -8.652 4.043 1.00 0.00 C ATOM 328 C GLU A 23 -3.867 -7.200 4.160 1.00 0.00 C ATOM 329 O GLU A 23 -3.806 -6.650 5.258 1.00 0.00 O ATOM 330 CB GLU A 23 -5.772 -8.724 3.522 1.00 0.00 C ATOM 331 CG GLU A 23 -6.049 -10.077 2.863 1.00 0.00 C ATOM 332 CD GLU A 23 -7.492 -10.522 3.110 1.00 0.00 C ATOM 333 OE1 GLU A 23 -7.886 -10.535 4.296 1.00 0.00 O ATOM 334 OE2 GLU A 23 -8.167 -10.840 2.108 1.00 0.00 O ATOM 0 H GLU A 23 -4.982 -9.954 5.551 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.696 -9.163 3.323 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.469 -8.567 4.345 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.942 -7.923 2.802 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.864 -10.008 1.791 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.361 -10.825 3.257 1.00 0.00 H new ATOM 341 N PRO A 24 -3.540 -6.604 2.981 1.00 0.00 N ATOM 342 CA PRO A 24 -3.080 -5.227 2.941 1.00 0.00 C ATOM 343 C PRO A 24 -4.242 -4.254 3.150 1.00 0.00 C ATOM 344 O PRO A 24 -5.361 -4.516 2.714 1.00 0.00 O ATOM 345 CB PRO A 24 -2.414 -5.074 1.584 1.00 0.00 C ATOM 346 CG PRO A 24 -2.932 -6.223 0.733 1.00 0.00 C ATOM 347 CD PRO A 24 -3.600 -7.224 1.661 1.00 0.00 C ATOM 0 HA PRO A 24 -2.379 -4.995 3.742 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -2.661 -4.112 1.134 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -1.329 -5.114 1.675 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -3.641 -5.858 -0.010 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -2.114 -6.694 0.188 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.630 -7.416 1.360 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.080 -8.182 1.650 1.00 0.00 H new ATOM 355 N ASP A 25 -3.936 -3.151 3.818 1.00 0.00 N ATOM 356 CA ASP A 25 -4.941 -2.138 4.090 1.00 0.00 C ATOM 357 C ASP A 25 -4.745 -0.961 3.132 1.00 0.00 C ATOM 358 O ASP A 25 -3.867 -0.125 3.341 1.00 0.00 O ATOM 359 CB ASP A 25 -4.816 -1.608 5.520 1.00 0.00 C ATOM 360 CG ASP A 25 -6.084 -1.729 6.368 1.00 0.00 C ATOM 361 OD1 ASP A 25 -7.166 -1.439 5.814 1.00 0.00 O ATOM 362 OD2 ASP A 25 -5.942 -2.109 7.550 1.00 0.00 O ATOM 0 H ASP A 25 -3.006 -2.937 4.179 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.923 -2.593 3.958 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.010 -2.144 6.021 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.524 -0.559 5.478 1.00 0.00 H new ATOM 367 N TYR A 26 -5.577 -0.934 2.101 1.00 0.00 N ATOM 368 CA TYR A 26 -5.507 0.126 1.110 1.00 0.00 C ATOM 369 C TYR A 26 -6.382 1.314 1.515 1.00 0.00 C ATOM 370 O TYR A 26 -7.556 1.143 1.839 1.00 0.00 O ATOM 371 CB TYR A 26 -6.050 -0.474 -0.188 1.00 0.00 C ATOM 372 CG TYR A 26 -5.131 -1.519 -0.823 1.00 0.00 C ATOM 373 CD1 TYR A 26 -3.989 -1.121 -1.487 1.00 0.00 C ATOM 374 CD2 TYR A 26 -5.445 -2.860 -0.732 1.00 0.00 C ATOM 375 CE1 TYR A 26 -3.124 -2.105 -2.085 1.00 0.00 C ATOM 376 CE2 TYR A 26 -4.580 -3.844 -1.330 1.00 0.00 C ATOM 377 CZ TYR A 26 -3.462 -3.418 -1.977 1.00 0.00 C ATOM 378 OH TYR A 26 -2.645 -4.348 -2.541 1.00 0.00 O ATOM 0 H TYR A 26 -6.303 -1.630 1.931 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.484 0.488 1.007 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.019 -0.931 0.013 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -6.219 0.330 -0.905 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -3.744 -0.072 -1.558 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -6.339 -3.171 -0.212 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -2.227 -1.807 -2.608 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.814 -4.896 -1.266 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.868 -5.235 -2.190 1.00 0.00 H new ATOM 388 N ILE A 27 -5.777 2.492 1.482 1.00 0.00 N ATOM 389 CA ILE A 27 -6.486 3.708 1.841 1.00 0.00 C ATOM 390 C ILE A 27 -6.338 4.732 0.714 1.00 0.00 C ATOM 391 O ILE A 27 -5.520 4.554 -0.187 1.00 0.00 O ATOM 392 CB ILE A 27 -6.015 4.221 3.204 1.00 0.00 C ATOM 393 CG1 ILE A 27 -5.901 3.075 4.211 1.00 0.00 C ATOM 394 CG2 ILE A 27 -6.923 5.343 3.711 1.00 0.00 C ATOM 395 CD1 ILE A 27 -4.444 2.643 4.388 1.00 0.00 C ATOM 0 H ILE A 27 -4.803 2.630 1.212 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.552 3.508 1.952 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.018 4.644 3.084 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -6.310 3.388 5.171 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -6.497 2.228 3.872 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.566 5.689 4.681 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.909 6.171 3.002 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -7.942 4.969 3.812 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.391 1.827 5.109 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.045 2.308 3.431 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.856 3.486 4.751 1.00 0.00 H new ATOM 407 N LEU A 28 -7.142 5.781 0.801 1.00 0.00 N ATOM 408 CA LEU A 28 -7.111 6.833 -0.200 1.00 0.00 C ATOM 409 C LEU A 28 -6.500 8.096 0.411 1.00 0.00 C ATOM 410 O LEU A 28 -7.108 8.730 1.272 1.00 0.00 O ATOM 411 CB LEU A 28 -8.504 7.050 -0.794 1.00 0.00 C ATOM 412 CG LEU A 28 -8.568 7.907 -2.060 1.00 0.00 C ATOM 413 CD1 LEU A 28 -8.186 9.358 -1.760 1.00 0.00 C ATOM 414 CD2 LEU A 28 -7.708 7.306 -3.173 1.00 0.00 C ATOM 0 H LEU A 28 -7.819 5.925 1.550 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.475 6.543 -1.036 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.938 6.075 -1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.133 7.513 -0.034 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.598 7.913 -2.417 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.240 9.945 -2.677 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.875 9.771 -1.024 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.170 9.393 -1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.771 7.934 -4.061 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.671 7.250 -2.841 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.068 6.305 -3.410 1.00 0.00 H new ATOM 426 N LEU A 29 -5.304 8.423 -0.058 1.00 0.00 N ATOM 427 CA LEU A 29 -4.604 9.598 0.433 1.00 0.00 C ATOM 428 C LEU A 29 -5.312 10.856 -0.075 1.00 0.00 C ATOM 429 O LEU A 29 -5.646 11.744 0.709 1.00 0.00 O ATOM 430 CB LEU A 29 -3.122 9.533 0.059 1.00 0.00 C ATOM 431 CG LEU A 29 -2.284 8.501 0.817 1.00 0.00 C ATOM 432 CD1 LEU A 29 -0.805 8.892 0.819 1.00 0.00 C ATOM 433 CD2 LEU A 29 -2.824 8.290 2.233 1.00 0.00 C ATOM 0 H LEU A 29 -4.803 7.895 -0.772 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.633 9.633 1.522 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.046 9.321 -1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.683 10.518 0.221 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.364 7.546 0.297 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.231 8.142 1.364 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.443 8.951 -0.207 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.686 9.862 1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.211 7.552 2.750 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.794 9.233 2.778 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.853 7.934 2.181 1.00 0.00 H new ATOM 445 N SER A 30 -5.519 10.893 -1.383 1.00 0.00 N ATOM 446 CA SER A 30 -6.181 12.028 -2.004 1.00 0.00 C ATOM 447 C SER A 30 -6.213 11.848 -3.523 1.00 0.00 C ATOM 448 O SER A 30 -5.876 10.781 -4.032 1.00 0.00 O ATOM 449 CB SER A 30 -5.483 13.340 -1.639 1.00 0.00 C ATOM 450 OG SER A 30 -6.160 14.032 -0.594 1.00 0.00 O ATOM 0 H SER A 30 -5.240 10.155 -2.030 1.00 0.00 H new ATOM 0 HA SER A 30 -7.203 12.075 -1.629 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.458 13.132 -1.331 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.428 13.979 -2.520 1.00 0.00 H new ATOM 0 HG SER A 30 -6.190 13.467 0.206 1.00 0.00 H new ATOM 456 N GLU A 31 -6.621 12.909 -4.204 1.00 0.00 N ATOM 457 CA GLU A 31 -6.701 12.882 -5.654 1.00 0.00 C ATOM 458 C GLU A 31 -6.720 14.307 -6.212 1.00 0.00 C ATOM 459 O GLU A 31 -7.546 15.124 -5.808 1.00 0.00 O ATOM 460 CB GLU A 31 -7.927 12.094 -6.121 1.00 0.00 C ATOM 461 CG GLU A 31 -9.205 12.640 -5.481 1.00 0.00 C ATOM 462 CD GLU A 31 -9.575 11.843 -4.228 1.00 0.00 C ATOM 463 OE1 GLU A 31 -8.786 11.909 -3.261 1.00 0.00 O ATOM 464 OE2 GLU A 31 -10.637 11.185 -4.267 1.00 0.00 O ATOM 0 H GLU A 31 -6.900 13.793 -3.778 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.816 12.375 -6.037 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.007 12.149 -7.207 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.808 11.042 -5.863 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.066 13.689 -5.221 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.023 12.595 -6.200 1.00 0.00 H new ATOM 471 N ARG A 32 -5.800 14.561 -7.131 1.00 0.00 N ATOM 472 CA ARG A 32 -5.701 15.872 -7.748 1.00 0.00 C ATOM 473 C ARG A 32 -4.516 15.916 -8.714 1.00 0.00 C ATOM 474 O ARG A 32 -4.676 16.266 -9.883 1.00 0.00 O ATOM 475 CB ARG A 32 -5.530 16.966 -6.692 1.00 0.00 C ATOM 476 CG ARG A 32 -4.377 16.636 -5.742 1.00 0.00 C ATOM 477 CD ARG A 32 -4.598 17.272 -4.368 1.00 0.00 C ATOM 478 NE ARG A 32 -3.327 17.834 -3.860 1.00 0.00 N ATOM 479 CZ ARG A 32 -3.069 18.056 -2.564 1.00 0.00 C ATOM 480 NH1 ARG A 32 -3.992 17.765 -1.638 1.00 0.00 N ATOM 481 NH2 ARG A 32 -1.887 18.569 -2.194 1.00 0.00 N ATOM 0 H ARG A 32 -5.116 13.881 -7.463 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.627 16.052 -8.295 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.341 17.922 -7.181 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.454 17.076 -6.124 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.287 15.555 -5.636 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.439 16.994 -6.165 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.350 18.058 -4.439 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.980 16.527 -3.670 1.00 0.00 H new ATOM 0 HE ARG A 32 -2.602 18.067 -4.539 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -4.891 17.374 -1.919 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -3.796 17.934 -0.651 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -1.184 18.790 -2.899 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -1.691 18.738 -1.207 1.00 0.00 H new ATOM 495 N GLY A 33 -3.353 15.557 -8.191 1.00 0.00 N ATOM 496 CA GLY A 33 -2.142 15.550 -8.993 1.00 0.00 C ATOM 497 C GLY A 33 -1.986 16.864 -9.762 1.00 0.00 C ATOM 498 O GLY A 33 -1.575 17.875 -9.194 1.00 0.00 O ATOM 0 H GLY A 33 -3.224 15.269 -7.221 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.276 15.396 -8.349 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.170 14.716 -9.694 1.00 0.00 H new ATOM 502 N MET A 34 -2.324 16.807 -11.042 1.00 0.00 N ATOM 503 CA MET A 34 -2.227 17.979 -11.894 1.00 0.00 C ATOM 504 C MET A 34 -3.579 18.306 -12.533 1.00 0.00 C ATOM 505 O MET A 34 -4.479 17.468 -12.553 1.00 0.00 O ATOM 506 CB MET A 34 -1.191 17.729 -12.992 1.00 0.00 C ATOM 507 CG MET A 34 0.176 18.287 -12.594 1.00 0.00 C ATOM 508 SD MET A 34 0.893 19.182 -13.962 1.00 0.00 S ATOM 509 CE MET A 34 2.010 20.257 -13.078 1.00 0.00 C ATOM 0 H MET A 34 -2.665 15.967 -11.509 1.00 0.00 H new ATOM 0 HA MET A 34 -1.921 18.826 -11.280 1.00 0.00 H new ATOM 0 HB2 MET A 34 -1.109 16.659 -13.183 1.00 0.00 H new ATOM 0 HB3 MET A 34 -1.521 18.194 -13.921 1.00 0.00 H new ATOM 0 HG2 MET A 34 0.072 18.946 -11.732 1.00 0.00 H new ATOM 0 HG3 MET A 34 0.837 17.473 -12.295 1.00 0.00 H new ATOM 0 HE1 MET A 34 2.543 20.890 -13.787 1.00 0.00 H new ATOM 0 HE2 MET A 34 1.443 20.882 -12.388 1.00 0.00 H new ATOM 0 HE3 MET A 34 2.727 19.656 -12.518 1.00 0.00 H new ATOM 519 N PRO A 35 -3.681 19.559 -13.051 1.00 0.00 N ATOM 520 CA PRO A 35 -4.908 20.007 -13.689 1.00 0.00 C ATOM 521 C PRO A 35 -5.065 19.382 -15.076 1.00 0.00 C ATOM 522 O PRO A 35 -6.181 19.236 -15.573 1.00 0.00 O ATOM 523 CB PRO A 35 -4.800 21.523 -13.728 1.00 0.00 C ATOM 524 CG PRO A 35 -3.325 21.840 -13.539 1.00 0.00 C ATOM 525 CD PRO A 35 -2.637 20.579 -13.045 1.00 0.00 C ATOM 0 HA PRO A 35 -5.801 19.699 -13.146 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -5.166 21.916 -14.676 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -5.401 21.978 -12.941 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -2.883 22.173 -14.478 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -3.198 22.650 -12.821 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -1.808 20.300 -13.695 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -2.226 20.718 -12.045 1.00 0.00 H new ATOM 533 N ARG A 36 -3.930 19.031 -15.664 1.00 0.00 N ATOM 534 CA ARG A 36 -3.927 18.425 -16.985 1.00 0.00 C ATOM 535 C ARG A 36 -3.708 16.915 -16.875 1.00 0.00 C ATOM 536 O ARG A 36 -3.945 16.179 -17.832 1.00 0.00 O ATOM 537 CB ARG A 36 -2.832 19.030 -17.866 1.00 0.00 C ATOM 538 CG ARG A 36 -1.496 19.080 -17.123 1.00 0.00 C ATOM 539 CD ARG A 36 -0.328 19.201 -18.103 1.00 0.00 C ATOM 540 NE ARG A 36 0.680 20.148 -17.576 1.00 0.00 N ATOM 541 CZ ARG A 36 1.737 20.585 -18.273 1.00 0.00 C ATOM 542 NH1 ARG A 36 1.932 20.163 -19.530 1.00 0.00 N ATOM 543 NH2 ARG A 36 2.599 21.445 -17.714 1.00 0.00 N ATOM 0 H ARG A 36 -3.006 19.155 -15.250 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.896 18.623 -17.443 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.724 18.439 -18.776 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.120 20.036 -18.171 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.489 19.927 -16.437 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.377 18.180 -16.520 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.127 18.223 -18.261 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -0.690 19.545 -19.072 1.00 0.00 H new ATOM 0 HE ARG A 36 0.562 20.489 -16.622 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.275 19.509 -19.956 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.737 20.496 -20.061 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.450 21.767 -16.758 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.404 21.778 -18.245 1.00 0.00 H new ATOM 557 N ARG A 37 -3.259 16.498 -15.701 1.00 0.00 N ATOM 558 CA ARG A 37 -3.006 15.088 -15.454 1.00 0.00 C ATOM 559 C ARG A 37 -3.452 14.708 -14.041 1.00 0.00 C ATOM 560 O ARG A 37 -2.636 14.651 -13.123 1.00 0.00 O ATOM 561 CB ARG A 37 -1.521 14.759 -15.619 1.00 0.00 C ATOM 562 CG ARG A 37 -1.249 14.116 -16.980 1.00 0.00 C ATOM 563 CD ARG A 37 -0.158 14.877 -17.738 1.00 0.00 C ATOM 564 NE ARG A 37 -0.482 14.923 -19.181 1.00 0.00 N ATOM 565 CZ ARG A 37 -0.318 13.892 -20.021 1.00 0.00 C ATOM 566 NH1 ARG A 37 0.168 12.728 -19.566 1.00 0.00 N ATOM 567 NH2 ARG A 37 -0.639 14.024 -21.315 1.00 0.00 N ATOM 0 H ARG A 37 -3.064 17.111 -14.910 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.577 14.515 -16.185 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.930 15.669 -15.518 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.204 14.084 -14.824 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.945 13.079 -16.842 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.165 14.103 -17.570 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.069 15.890 -17.344 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.806 14.391 -17.589 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.853 15.794 -19.560 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.413 12.628 -18.581 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.293 11.943 -20.205 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.008 14.910 -21.661 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.514 13.239 -21.954 1.00 0.00 H new ATOM 581 N ARG A 38 -4.747 14.458 -13.912 1.00 0.00 N ATOM 582 CA ARG A 38 -5.312 14.084 -12.626 1.00 0.00 C ATOM 583 C ARG A 38 -4.665 12.795 -12.116 1.00 0.00 C ATOM 584 O ARG A 38 -4.472 11.849 -12.879 1.00 0.00 O ATOM 585 CB ARG A 38 -6.825 13.882 -12.727 1.00 0.00 C ATOM 586 CG ARG A 38 -7.568 15.210 -12.573 1.00 0.00 C ATOM 587 CD ARG A 38 -7.648 15.626 -11.103 1.00 0.00 C ATOM 588 NE ARG A 38 -8.392 16.900 -10.977 1.00 0.00 N ATOM 589 CZ ARG A 38 -9.012 17.300 -9.859 1.00 0.00 C ATOM 590 NH1 ARG A 38 -8.982 16.529 -8.763 1.00 0.00 N ATOM 591 NH2 ARG A 38 -9.662 18.472 -9.836 1.00 0.00 N ATOM 0 H ARG A 38 -5.421 14.507 -14.676 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.111 14.896 -11.927 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.072 13.433 -13.689 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.155 13.186 -11.956 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -7.059 15.984 -13.147 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.573 15.118 -12.984 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -8.143 14.847 -10.523 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.644 15.739 -10.693 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.435 17.511 -11.792 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.487 15.637 -8.780 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -9.454 16.834 -7.912 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.685 19.059 -10.670 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.134 18.777 -8.985 1.00 0.00 H new ATOM 605 N GLU A 39 -4.347 12.799 -10.830 1.00 0.00 N ATOM 606 CA GLU A 39 -3.725 11.642 -10.209 1.00 0.00 C ATOM 607 C GLU A 39 -4.384 11.344 -8.861 1.00 0.00 C ATOM 608 O GLU A 39 -4.809 12.261 -8.158 1.00 0.00 O ATOM 609 CB GLU A 39 -2.218 11.849 -10.049 1.00 0.00 C ATOM 610 CG GLU A 39 -1.575 10.663 -9.327 1.00 0.00 C ATOM 611 CD GLU A 39 -1.299 10.998 -7.860 1.00 0.00 C ATOM 612 OE1 GLU A 39 -0.758 12.099 -7.622 1.00 0.00 O ATOM 613 OE2 GLU A 39 -1.636 10.145 -7.010 1.00 0.00 O ATOM 0 H GLU A 39 -4.508 13.585 -10.201 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.873 10.781 -10.861 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.759 11.975 -11.029 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.031 12.765 -9.489 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.232 9.796 -9.388 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.643 10.392 -9.823 1.00 0.00 H new ATOM 620 N PHE A 40 -4.450 10.061 -8.540 1.00 0.00 N ATOM 621 CA PHE A 40 -5.050 9.631 -7.288 1.00 0.00 C ATOM 622 C PHE A 40 -3.992 9.070 -6.337 1.00 0.00 C ATOM 623 O PHE A 40 -3.238 8.169 -6.703 1.00 0.00 O ATOM 624 CB PHE A 40 -6.051 8.526 -7.629 1.00 0.00 C ATOM 625 CG PHE A 40 -7.360 9.036 -8.236 1.00 0.00 C ATOM 626 CD1 PHE A 40 -7.357 9.621 -9.464 1.00 0.00 C ATOM 627 CD2 PHE A 40 -8.525 8.905 -7.548 1.00 0.00 C ATOM 628 CE1 PHE A 40 -8.571 10.095 -10.027 1.00 0.00 C ATOM 629 CE2 PHE A 40 -9.740 9.379 -8.111 1.00 0.00 C ATOM 630 CZ PHE A 40 -9.737 9.964 -9.339 1.00 0.00 C ATOM 0 H PHE A 40 -4.098 9.304 -9.126 1.00 0.00 H new ATOM 0 HA PHE A 40 -5.530 10.477 -6.795 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -5.585 7.831 -8.328 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.278 7.963 -6.723 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -6.431 9.725 -10.011 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -8.527 8.440 -6.573 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -8.569 10.560 -11.002 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -10.666 9.275 -7.564 1.00 0.00 H new ATOM 0 HZ PHE A 40 -10.660 10.324 -9.768 1.00 0.00 H new ATOM 640 N VAL A 41 -3.969 9.624 -5.134 1.00 0.00 N ATOM 641 CA VAL A 41 -3.016 9.190 -4.127 1.00 0.00 C ATOM 642 C VAL A 41 -3.618 8.033 -3.327 1.00 0.00 C ATOM 643 O VAL A 41 -4.707 8.160 -2.769 1.00 0.00 O ATOM 644 CB VAL A 41 -2.605 10.374 -3.250 1.00 0.00 C ATOM 645 CG1 VAL A 41 -1.317 10.068 -2.484 1.00 0.00 C ATOM 646 CG2 VAL A 41 -2.457 11.649 -4.084 1.00 0.00 C ATOM 0 H VAL A 41 -4.596 10.371 -4.834 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.105 8.821 -4.597 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.397 10.541 -2.520 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.047 10.926 -1.868 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.471 9.198 -1.846 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.513 9.862 -3.191 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.164 12.475 -3.436 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.694 11.498 -4.847 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.408 11.883 -4.563 1.00 0.00 H new ATOM 656 N MET A 42 -2.882 6.932 -3.295 1.00 0.00 N ATOM 657 CA MET A 42 -3.330 5.754 -2.571 1.00 0.00 C ATOM 658 C MET A 42 -2.281 5.305 -1.552 1.00 0.00 C ATOM 659 O MET A 42 -1.087 5.531 -1.744 1.00 0.00 O ATOM 660 CB MET A 42 -3.599 4.618 -3.561 1.00 0.00 C ATOM 661 CG MET A 42 -4.710 3.698 -3.051 1.00 0.00 C ATOM 662 SD MET A 42 -6.232 4.615 -2.882 1.00 0.00 S ATOM 663 CE MET A 42 -7.360 3.279 -2.524 1.00 0.00 C ATOM 0 H MET A 42 -1.979 6.830 -3.758 1.00 0.00 H new ATOM 0 HA MET A 42 -4.245 6.006 -2.035 1.00 0.00 H new ATOM 0 HB2 MET A 42 -3.881 5.033 -4.529 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.687 4.042 -3.715 1.00 0.00 H new ATOM 0 HG2 MET A 42 -4.851 2.867 -3.742 1.00 0.00 H new ATOM 0 HG3 MET A 42 -4.426 3.269 -2.090 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.365 3.678 -2.389 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.359 2.570 -3.352 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.045 2.771 -1.612 1.00 0.00 H new ATOM 673 N GLN A 43 -2.764 4.677 -0.490 1.00 0.00 N ATOM 674 CA GLN A 43 -1.883 4.194 0.559 1.00 0.00 C ATOM 675 C GLN A 43 -2.143 2.711 0.830 1.00 0.00 C ATOM 676 O GLN A 43 -3.216 2.198 0.517 1.00 0.00 O ATOM 677 CB GLN A 43 -2.047 5.021 1.836 1.00 0.00 C ATOM 678 CG GLN A 43 -0.798 4.927 2.714 1.00 0.00 C ATOM 679 CD GLN A 43 -0.817 5.994 3.811 1.00 0.00 C ATOM 680 OE1 GLN A 43 0.033 6.867 3.879 1.00 0.00 O ATOM 681 NE2 GLN A 43 -1.832 5.876 4.663 1.00 0.00 N ATOM 0 H GLN A 43 -3.755 4.492 -0.334 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.853 4.306 0.221 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.236 6.063 1.577 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -2.915 4.668 2.393 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.741 3.937 3.166 1.00 0.00 H new ATOM 0 HG3 GLN A 43 0.093 5.049 2.099 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -2.509 5.121 4.549 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -1.933 6.540 5.430 1.00 0.00 H new ATOM 690 N VAL A 44 -1.142 2.064 1.408 1.00 0.00 N ATOM 691 CA VAL A 44 -1.248 0.649 1.724 1.00 0.00 C ATOM 692 C VAL A 44 -0.546 0.374 3.056 1.00 0.00 C ATOM 693 O VAL A 44 0.595 0.788 3.257 1.00 0.00 O ATOM 694 CB VAL A 44 -0.692 -0.188 0.571 1.00 0.00 C ATOM 695 CG1 VAL A 44 0.808 0.057 0.389 1.00 0.00 C ATOM 696 CG2 VAL A 44 -0.982 -1.675 0.783 1.00 0.00 C ATOM 0 H VAL A 44 -0.253 2.493 1.666 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.293 0.361 1.842 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.196 0.125 -0.343 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.178 -0.550 -0.437 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.981 1.111 0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.335 -0.215 1.304 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.576 -2.247 -0.051 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.518 -2.008 1.711 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.059 -1.831 0.840 1.00 0.00 H new ATOM 706 N LYS A 45 -1.258 -0.321 3.931 1.00 0.00 N ATOM 707 CA LYS A 45 -0.717 -0.656 5.237 1.00 0.00 C ATOM 708 C LYS A 45 -0.659 -2.178 5.385 1.00 0.00 C ATOM 709 O LYS A 45 -1.689 -2.850 5.338 1.00 0.00 O ATOM 710 CB LYS A 45 -1.515 0.039 6.341 1.00 0.00 C ATOM 711 CG LYS A 45 -0.617 0.390 7.529 1.00 0.00 C ATOM 712 CD LYS A 45 -1.451 0.696 8.775 1.00 0.00 C ATOM 713 CE LYS A 45 -1.610 2.205 8.971 1.00 0.00 C ATOM 714 NZ LYS A 45 -1.306 2.581 10.370 1.00 0.00 N ATOM 0 H LYS A 45 -2.204 -0.661 3.761 1.00 0.00 H new ATOM 0 HA LYS A 45 0.304 -0.287 5.333 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.974 0.946 5.947 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.325 -0.610 6.673 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.060 -0.439 7.735 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.001 1.252 7.280 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.433 0.232 8.683 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.974 0.260 9.653 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.944 2.738 8.292 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.628 2.505 8.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.419 3.608 10.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.958 2.087 11.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.327 2.313 10.597 1.00 0.00 H new ATOM 728 N VAL A 46 0.555 -2.678 5.562 1.00 0.00 N ATOM 729 CA VAL A 46 0.761 -4.108 5.717 1.00 0.00 C ATOM 730 C VAL A 46 1.626 -4.363 6.953 1.00 0.00 C ATOM 731 O VAL A 46 2.816 -4.054 6.957 1.00 0.00 O ATOM 732 CB VAL A 46 1.361 -4.692 4.437 1.00 0.00 C ATOM 733 CG1 VAL A 46 2.253 -5.896 4.749 1.00 0.00 C ATOM 734 CG2 VAL A 46 0.264 -5.068 3.439 1.00 0.00 C ATOM 0 H VAL A 46 1.407 -2.118 5.602 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.190 -4.616 5.875 1.00 0.00 H new ATOM 0 HB VAL A 46 1.983 -3.923 3.978 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.667 -6.292 3.822 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.066 -5.586 5.406 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.662 -6.668 5.242 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.718 -5.481 2.538 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.396 -5.812 3.886 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.313 -4.180 3.181 1.00 0.00 H new ATOM 744 N GLY A 47 0.993 -4.924 7.973 1.00 0.00 N ATOM 745 CA GLY A 47 1.689 -5.224 9.212 1.00 0.00 C ATOM 746 C GLY A 47 2.309 -3.960 9.813 1.00 0.00 C ATOM 747 O GLY A 47 1.593 -3.067 10.262 1.00 0.00 O ATOM 0 H GLY A 47 0.005 -5.179 7.966 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.994 -5.667 9.925 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.469 -5.963 9.026 1.00 0.00 H new ATOM 751 N ASN A 48 3.633 -3.927 9.802 1.00 0.00 N ATOM 752 CA ASN A 48 4.357 -2.787 10.340 1.00 0.00 C ATOM 753 C ASN A 48 5.004 -2.011 9.191 1.00 0.00 C ATOM 754 O ASN A 48 5.999 -1.315 9.390 1.00 0.00 O ATOM 755 CB ASN A 48 5.469 -3.240 11.289 1.00 0.00 C ATOM 756 CG ASN A 48 4.925 -4.191 12.357 1.00 0.00 C ATOM 757 OD1 ASN A 48 3.730 -4.299 12.578 1.00 0.00 O ATOM 758 ND2 ASN A 48 5.866 -4.873 13.004 1.00 0.00 N ATOM 0 H ASN A 48 4.224 -4.671 9.429 1.00 0.00 H new ATOM 0 HA ASN A 48 3.648 -2.164 10.885 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.256 -3.737 10.722 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.921 -2.371 11.767 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.605 -5.535 13.735 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.849 -4.734 12.769 1.00 0.00 H new ATOM 765 N GLU A 49 4.412 -2.155 8.015 1.00 0.00 N ATOM 766 CA GLU A 49 4.918 -1.476 6.834 1.00 0.00 C ATOM 767 C GLU A 49 3.793 -0.700 6.145 1.00 0.00 C ATOM 768 O GLU A 49 2.620 -1.042 6.288 1.00 0.00 O ATOM 769 CB GLU A 49 5.571 -2.467 5.869 1.00 0.00 C ATOM 770 CG GLU A 49 7.038 -2.703 6.235 1.00 0.00 C ATOM 771 CD GLU A 49 7.177 -3.866 7.220 1.00 0.00 C ATOM 772 OE1 GLU A 49 6.765 -4.983 6.840 1.00 0.00 O ATOM 773 OE2 GLU A 49 7.693 -3.611 8.329 1.00 0.00 O ATOM 0 H GLU A 49 3.586 -2.732 7.854 1.00 0.00 H new ATOM 0 HA GLU A 49 5.684 -0.766 7.147 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.030 -3.413 5.892 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.503 -2.086 4.850 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.612 -2.915 5.333 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.457 -1.798 6.674 1.00 0.00 H new ATOM 780 N VAL A 50 4.190 0.330 5.412 1.00 0.00 N ATOM 781 CA VAL A 50 3.230 1.157 4.701 1.00 0.00 C ATOM 782 C VAL A 50 3.817 1.561 3.347 1.00 0.00 C ATOM 783 O VAL A 50 5.035 1.618 3.186 1.00 0.00 O ATOM 784 CB VAL A 50 2.833 2.357 5.563 1.00 0.00 C ATOM 785 CG1 VAL A 50 3.598 3.613 5.141 1.00 0.00 C ATOM 786 CG2 VAL A 50 1.322 2.592 5.513 1.00 0.00 C ATOM 0 H VAL A 50 5.164 0.611 5.295 1.00 0.00 H new ATOM 0 HA VAL A 50 2.315 0.598 4.505 1.00 0.00 H new ATOM 0 HB VAL A 50 3.103 2.132 6.595 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.297 4.451 5.770 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.669 3.442 5.253 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.374 3.842 4.099 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.067 3.451 6.134 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.018 2.785 4.484 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.804 1.708 5.885 1.00 0.00 H new ATOM 796 N ALA A 51 2.922 1.832 2.408 1.00 0.00 N ATOM 797 CA ALA A 51 3.336 2.230 1.073 1.00 0.00 C ATOM 798 C ALA A 51 2.266 3.136 0.461 1.00 0.00 C ATOM 799 O ALA A 51 1.202 3.331 1.048 1.00 0.00 O ATOM 800 CB ALA A 51 3.596 0.982 0.226 1.00 0.00 C ATOM 0 H ALA A 51 1.912 1.784 2.545 1.00 0.00 H new ATOM 0 HA ALA A 51 4.266 2.797 1.113 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.907 1.280 -0.775 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.383 0.386 0.688 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.683 0.389 0.162 1.00 0.00 H new ATOM 806 N THR A 52 2.584 3.667 -0.710 1.00 0.00 N ATOM 807 CA THR A 52 1.664 4.548 -1.408 1.00 0.00 C ATOM 808 C THR A 52 1.763 4.335 -2.920 1.00 0.00 C ATOM 809 O THR A 52 2.776 3.844 -3.415 1.00 0.00 O ATOM 810 CB THR A 52 1.965 5.985 -0.976 1.00 0.00 C ATOM 811 OG1 THR A 52 3.386 6.026 -0.874 1.00 0.00 O ATOM 812 CG2 THR A 52 1.481 6.283 0.445 1.00 0.00 C ATOM 0 H THR A 52 3.467 3.504 -1.194 1.00 0.00 H new ATOM 0 HA THR A 52 0.629 4.325 -1.147 1.00 0.00 H new ATOM 0 HB THR A 52 1.495 6.679 -1.673 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.669 6.923 -0.600 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.719 7.315 0.702 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.403 6.135 0.501 1.00 0.00 H new ATOM 0 HG23 THR A 52 1.976 5.611 1.146 1.00 0.00 H new ATOM 820 N GLY A 53 0.698 4.714 -3.610 1.00 0.00 N ATOM 821 CA GLY A 53 0.653 4.571 -5.055 1.00 0.00 C ATOM 822 C GLY A 53 -0.050 5.765 -5.703 1.00 0.00 C ATOM 823 O GLY A 53 -0.935 6.372 -5.100 1.00 0.00 O ATOM 0 H GLY A 53 -0.141 5.120 -3.195 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.666 4.485 -5.447 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.130 3.651 -5.317 1.00 0.00 H new ATOM 827 N THR A 54 0.369 6.068 -6.923 1.00 0.00 N ATOM 828 CA THR A 54 -0.210 7.179 -7.659 1.00 0.00 C ATOM 829 C THR A 54 -0.457 6.782 -9.116 1.00 0.00 C ATOM 830 O THR A 54 0.402 6.174 -9.752 1.00 0.00 O ATOM 831 CB THR A 54 0.722 8.383 -7.507 1.00 0.00 C ATOM 832 OG1 THR A 54 1.977 7.915 -7.993 1.00 0.00 O ATOM 833 CG2 THR A 54 0.995 8.731 -6.043 1.00 0.00 C ATOM 0 H THR A 54 1.103 5.563 -7.420 1.00 0.00 H new ATOM 0 HA THR A 54 -1.186 7.453 -7.259 1.00 0.00 H new ATOM 0 HB THR A 54 0.284 9.246 -8.009 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.828 7.212 -8.659 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.661 9.592 -5.992 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.055 8.969 -5.544 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.463 7.880 -5.548 1.00 0.00 H new ATOM 841 N GLY A 55 -1.635 7.143 -9.602 1.00 0.00 N ATOM 842 CA GLY A 55 -2.007 6.832 -10.972 1.00 0.00 C ATOM 843 C GLY A 55 -3.125 7.756 -11.460 1.00 0.00 C ATOM 844 O GLY A 55 -3.532 8.673 -10.749 1.00 0.00 O ATOM 0 H GLY A 55 -2.345 7.648 -9.072 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.137 6.934 -11.621 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.334 5.794 -11.037 1.00 0.00 H new ATOM 848 N PRO A 56 -3.601 7.475 -12.703 1.00 0.00 N ATOM 849 CA PRO A 56 -4.664 8.270 -13.294 1.00 0.00 C ATOM 850 C PRO A 56 -6.016 7.935 -12.662 1.00 0.00 C ATOM 851 O PRO A 56 -6.946 8.738 -12.715 1.00 0.00 O ATOM 852 CB PRO A 56 -4.609 7.957 -14.780 1.00 0.00 C ATOM 853 CG PRO A 56 -3.832 6.656 -14.904 1.00 0.00 C ATOM 854 CD PRO A 56 -3.142 6.397 -13.574 1.00 0.00 C ATOM 0 HA PRO A 56 -4.536 9.338 -13.120 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.612 7.854 -15.195 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.117 8.759 -15.330 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.502 5.833 -15.153 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.099 6.724 -15.708 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.412 5.421 -13.171 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.057 6.409 -13.681 1.00 0.00 H new ATOM 862 N ASN A 57 -6.082 6.747 -12.078 1.00 0.00 N ATOM 863 CA ASN A 57 -7.305 6.296 -11.436 1.00 0.00 C ATOM 864 C ASN A 57 -6.954 5.543 -10.152 1.00 0.00 C ATOM 865 O ASN A 57 -5.960 4.820 -10.104 1.00 0.00 O ATOM 866 CB ASN A 57 -8.085 5.343 -12.345 1.00 0.00 C ATOM 867 CG ASN A 57 -7.147 4.343 -13.024 1.00 0.00 C ATOM 868 OD1 ASN A 57 -5.934 4.413 -12.909 1.00 0.00 O ATOM 869 ND2 ASN A 57 -7.774 3.411 -13.737 1.00 0.00 N ATOM 0 H ASN A 57 -5.308 6.083 -12.036 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.917 7.172 -11.222 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -8.832 4.807 -11.760 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -8.622 5.915 -13.102 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.236 2.698 -14.229 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -8.793 3.410 -13.791 1.00 0.00 H new ATOM 876 N LYS A 58 -7.790 5.737 -9.142 1.00 0.00 N ATOM 877 CA LYS A 58 -7.580 5.085 -7.861 1.00 0.00 C ATOM 878 C LYS A 58 -7.099 3.652 -8.095 1.00 0.00 C ATOM 879 O LYS A 58 -6.173 3.188 -7.432 1.00 0.00 O ATOM 880 CB LYS A 58 -8.842 5.178 -7.000 1.00 0.00 C ATOM 881 CG LYS A 58 -8.672 4.400 -5.693 1.00 0.00 C ATOM 882 CD LYS A 58 -10.024 3.927 -5.156 1.00 0.00 C ATOM 883 CE LYS A 58 -10.919 5.117 -4.801 1.00 0.00 C ATOM 884 NZ LYS A 58 -12.343 4.774 -5.009 1.00 0.00 N ATOM 0 H LYS A 58 -8.614 6.337 -9.185 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.799 5.595 -7.297 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.060 6.223 -6.780 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.694 4.784 -7.554 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.022 3.541 -5.859 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.183 5.031 -4.951 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.518 3.305 -5.902 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.872 3.306 -4.273 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.756 5.405 -3.762 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.652 5.977 -5.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -12.937 5.592 -4.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.497 4.521 -6.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.598 3.967 -4.404 1.00 0.00 H new ATOM 898 N LYS A 59 -7.749 2.991 -9.041 1.00 0.00 N ATOM 899 CA LYS A 59 -7.400 1.620 -9.371 1.00 0.00 C ATOM 900 C LYS A 59 -5.878 1.497 -9.475 1.00 0.00 C ATOM 901 O LYS A 59 -5.252 0.800 -8.678 1.00 0.00 O ATOM 902 CB LYS A 59 -8.141 1.166 -10.630 1.00 0.00 C ATOM 903 CG LYS A 59 -9.581 0.766 -10.305 1.00 0.00 C ATOM 904 CD LYS A 59 -10.574 1.534 -11.179 1.00 0.00 C ATOM 905 CE LYS A 59 -11.123 2.756 -10.441 1.00 0.00 C ATOM 906 NZ LYS A 59 -12.324 3.281 -11.128 1.00 0.00 N ATOM 0 H LYS A 59 -8.516 3.380 -9.590 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.722 0.944 -8.579 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.141 1.970 -11.366 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.618 0.322 -11.079 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.708 -0.305 -10.459 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.788 0.963 -9.253 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.084 1.851 -12.100 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.396 0.878 -11.465 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.373 2.486 -9.415 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.358 3.531 -10.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.684 4.110 -10.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.075 3.557 -12.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.058 2.545 -11.155 1.00 0.00 H new ATOM 920 N ILE A 60 -5.327 2.186 -10.464 1.00 0.00 N ATOM 921 CA ILE A 60 -3.891 2.163 -10.682 1.00 0.00 C ATOM 922 C ILE A 60 -3.180 2.659 -9.422 1.00 0.00 C ATOM 923 O ILE A 60 -2.105 2.169 -9.077 1.00 0.00 O ATOM 924 CB ILE A 60 -3.528 2.949 -11.943 1.00 0.00 C ATOM 925 CG1 ILE A 60 -4.000 2.218 -13.201 1.00 0.00 C ATOM 926 CG2 ILE A 60 -2.029 3.255 -11.986 1.00 0.00 C ATOM 927 CD1 ILE A 60 -3.784 3.076 -14.449 1.00 0.00 C ATOM 0 H ILE A 60 -5.849 2.763 -11.123 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.549 1.143 -10.860 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.051 3.905 -11.911 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.458 1.278 -13.304 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.057 1.968 -13.106 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.798 3.814 -12.892 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.753 3.848 -11.114 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.467 2.321 -11.983 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.128 2.532 -15.329 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.346 4.005 -14.354 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.723 3.303 -14.555 1.00 0.00 H new ATOM 939 N ALA A 61 -3.808 3.625 -8.768 1.00 0.00 N ATOM 940 CA ALA A 61 -3.249 4.193 -7.553 1.00 0.00 C ATOM 941 C ALA A 61 -2.932 3.066 -6.567 1.00 0.00 C ATOM 942 O ALA A 61 -1.798 2.941 -6.106 1.00 0.00 O ATOM 943 CB ALA A 61 -4.224 5.218 -6.972 1.00 0.00 C ATOM 0 H ALA A 61 -4.699 4.029 -9.057 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.317 4.716 -7.768 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.804 5.644 -6.061 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.393 6.012 -7.699 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.171 4.730 -6.742 1.00 0.00 H new ATOM 949 N LYS A 62 -3.953 2.275 -6.274 1.00 0.00 N ATOM 950 CA LYS A 62 -3.798 1.163 -5.352 1.00 0.00 C ATOM 951 C LYS A 62 -2.706 0.225 -5.870 1.00 0.00 C ATOM 952 O LYS A 62 -1.808 -0.161 -5.124 1.00 0.00 O ATOM 953 CB LYS A 62 -5.142 0.472 -5.114 1.00 0.00 C ATOM 954 CG LYS A 62 -5.023 -0.601 -4.030 1.00 0.00 C ATOM 955 CD LYS A 62 -5.694 -1.903 -4.471 1.00 0.00 C ATOM 956 CE LYS A 62 -7.213 -1.738 -4.551 1.00 0.00 C ATOM 957 NZ LYS A 62 -7.830 -1.973 -3.226 1.00 0.00 N ATOM 0 H LYS A 62 -4.891 2.382 -6.659 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.474 1.521 -4.375 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.887 1.211 -4.819 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.491 0.019 -6.042 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.972 -0.786 -3.810 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.483 -0.245 -3.108 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.306 -2.205 -5.444 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.448 -2.699 -3.768 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.458 -0.735 -4.900 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.623 -2.438 -5.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -8.446 -2.809 -3.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.084 -2.132 -2.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.394 -1.143 -2.953 1.00 0.00 H new ATOM 971 N LYS A 63 -2.820 -0.115 -7.146 1.00 0.00 N ATOM 972 CA LYS A 63 -1.854 -1.001 -7.773 1.00 0.00 C ATOM 973 C LYS A 63 -0.443 -0.463 -7.532 1.00 0.00 C ATOM 974 O LYS A 63 0.438 -1.197 -7.085 1.00 0.00 O ATOM 975 CB LYS A 63 -2.192 -1.201 -9.252 1.00 0.00 C ATOM 976 CG LYS A 63 -3.161 -2.370 -9.440 1.00 0.00 C ATOM 977 CD LYS A 63 -4.052 -2.151 -10.665 1.00 0.00 C ATOM 978 CE LYS A 63 -5.371 -1.482 -10.271 1.00 0.00 C ATOM 979 NZ LYS A 63 -6.520 -2.307 -10.704 1.00 0.00 N ATOM 0 H LYS A 63 -3.566 0.207 -7.762 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.898 -1.993 -7.323 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.634 -0.289 -9.654 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.278 -1.388 -9.816 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.600 -3.297 -9.555 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.781 -2.480 -8.550 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.529 -1.531 -11.393 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.255 -3.107 -11.147 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.405 -1.339 -9.191 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.434 -0.493 -10.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.407 -1.839 -10.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.495 -2.422 -11.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.467 -3.241 -10.251 1.00 0.00 H new ATOM 993 N ASN A 64 -0.271 0.815 -7.838 1.00 0.00 N ATOM 994 CA ASN A 64 1.019 1.460 -7.660 1.00 0.00 C ATOM 995 C ASN A 64 1.410 1.410 -6.182 1.00 0.00 C ATOM 996 O ASN A 64 2.594 1.410 -5.849 1.00 0.00 O ATOM 997 CB ASN A 64 0.963 2.929 -8.084 1.00 0.00 C ATOM 998 CG ASN A 64 1.334 3.088 -9.560 1.00 0.00 C ATOM 999 OD1 ASN A 64 2.435 3.481 -9.911 1.00 0.00 O ATOM 1000 ND2 ASN A 64 0.357 2.762 -10.402 1.00 0.00 N ATOM 0 H ASN A 64 -1.003 1.421 -8.208 1.00 0.00 H new ATOM 0 HA ASN A 64 1.747 0.933 -8.277 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -0.039 3.323 -7.913 1.00 0.00 H new ATOM 0 HB3 ASN A 64 1.645 3.515 -7.469 1.00 0.00 H new ATOM 0 HD21 ASN A 64 0.506 2.834 -11.408 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.541 2.440 -10.041 1.00 0.00 H new ATOM 1007 N ALA A 65 0.392 1.368 -5.334 1.00 0.00 N ATOM 1008 CA ALA A 65 0.615 1.317 -3.899 1.00 0.00 C ATOM 1009 C ALA A 65 1.199 -0.047 -3.526 1.00 0.00 C ATOM 1010 O ALA A 65 2.262 -0.124 -2.912 1.00 0.00 O ATOM 1011 CB ALA A 65 -0.697 1.609 -3.168 1.00 0.00 C ATOM 0 H ALA A 65 -0.589 1.368 -5.613 1.00 0.00 H new ATOM 0 HA ALA A 65 1.334 2.078 -3.595 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.530 1.571 -2.092 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.055 2.601 -3.445 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.442 0.864 -3.446 1.00 0.00 H new ATOM 1017 N ALA A 66 0.478 -1.090 -3.913 1.00 0.00 N ATOM 1018 CA ALA A 66 0.912 -2.447 -3.627 1.00 0.00 C ATOM 1019 C ALA A 66 2.293 -2.677 -4.244 1.00 0.00 C ATOM 1020 O ALA A 66 3.157 -3.296 -3.626 1.00 0.00 O ATOM 1021 CB ALA A 66 -0.132 -3.437 -4.147 1.00 0.00 C ATOM 0 H ALA A 66 -0.403 -1.022 -4.422 1.00 0.00 H new ATOM 0 HA ALA A 66 1.002 -2.603 -2.552 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.193 -4.455 -3.933 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.087 -3.250 -3.656 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.247 -3.312 -5.224 1.00 0.00 H new ATOM 1027 N GLU A 67 2.456 -2.167 -5.456 1.00 0.00 N ATOM 1028 CA GLU A 67 3.717 -2.310 -6.164 1.00 0.00 C ATOM 1029 C GLU A 67 4.866 -1.755 -5.319 1.00 0.00 C ATOM 1030 O GLU A 67 5.877 -2.426 -5.122 1.00 0.00 O ATOM 1031 CB GLU A 67 3.660 -1.623 -7.530 1.00 0.00 C ATOM 1032 CG GLU A 67 4.836 -2.053 -8.409 1.00 0.00 C ATOM 1033 CD GLU A 67 4.988 -1.122 -9.614 1.00 0.00 C ATOM 1034 OE1 GLU A 67 4.181 -1.277 -10.556 1.00 0.00 O ATOM 1035 OE2 GLU A 67 5.908 -0.278 -9.567 1.00 0.00 O ATOM 0 H GLU A 67 1.736 -1.654 -5.966 1.00 0.00 H new ATOM 0 HA GLU A 67 3.897 -3.371 -6.335 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.721 -1.869 -8.026 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.676 -0.541 -7.398 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.755 -2.047 -7.822 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.683 -3.076 -8.752 1.00 0.00 H new ATOM 1042 N ALA A 68 4.671 -0.534 -4.842 1.00 0.00 N ATOM 1043 CA ALA A 68 5.678 0.119 -4.023 1.00 0.00 C ATOM 1044 C ALA A 68 5.891 -0.690 -2.742 1.00 0.00 C ATOM 1045 O ALA A 68 7.010 -0.783 -2.241 1.00 0.00 O ATOM 1046 CB ALA A 68 5.249 1.560 -3.739 1.00 0.00 C ATOM 0 H ALA A 68 3.831 0.020 -5.007 1.00 0.00 H new ATOM 0 HA ALA A 68 6.632 0.161 -4.548 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.004 2.050 -3.125 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.141 2.100 -4.680 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.296 1.558 -3.210 1.00 0.00 H new ATOM 1052 N MET A 69 4.798 -1.255 -2.249 1.00 0.00 N ATOM 1053 CA MET A 69 4.851 -2.053 -1.036 1.00 0.00 C ATOM 1054 C MET A 69 5.681 -3.320 -1.249 1.00 0.00 C ATOM 1055 O MET A 69 6.438 -3.726 -0.368 1.00 0.00 O ATOM 1056 CB MET A 69 3.431 -2.437 -0.616 1.00 0.00 C ATOM 1057 CG MET A 69 3.454 -3.468 0.515 1.00 0.00 C ATOM 1058 SD MET A 69 4.413 -2.848 1.887 1.00 0.00 S ATOM 1059 CE MET A 69 3.111 -2.133 2.877 1.00 0.00 C ATOM 0 H MET A 69 3.871 -1.176 -2.668 1.00 0.00 H new ATOM 0 HA MET A 69 5.323 -1.460 -0.253 1.00 0.00 H new ATOM 0 HB2 MET A 69 2.891 -1.548 -0.291 1.00 0.00 H new ATOM 0 HB3 MET A 69 2.892 -2.843 -1.472 1.00 0.00 H new ATOM 0 HG2 MET A 69 2.437 -3.686 0.841 1.00 0.00 H new ATOM 0 HG3 MET A 69 3.881 -4.404 0.156 1.00 0.00 H new ATOM 0 HE1 MET A 69 3.270 -2.386 3.925 1.00 0.00 H new ATOM 0 HE2 MET A 69 3.118 -1.049 2.760 1.00 0.00 H new ATOM 0 HE3 MET A 69 2.148 -2.526 2.551 1.00 0.00 H new ATOM 1069 N LEU A 70 5.513 -3.909 -2.423 1.00 0.00 N ATOM 1070 CA LEU A 70 6.237 -5.122 -2.763 1.00 0.00 C ATOM 1071 C LEU A 70 7.703 -4.776 -3.034 1.00 0.00 C ATOM 1072 O LEU A 70 8.581 -5.625 -2.889 1.00 0.00 O ATOM 1073 CB LEU A 70 5.552 -5.848 -3.923 1.00 0.00 C ATOM 1074 CG LEU A 70 4.049 -6.089 -3.769 1.00 0.00 C ATOM 1075 CD1 LEU A 70 3.321 -5.871 -5.097 1.00 0.00 C ATOM 1076 CD2 LEU A 70 3.773 -7.476 -3.184 1.00 0.00 C ATOM 0 H LEU A 70 4.886 -3.569 -3.152 1.00 0.00 H new ATOM 0 HA LEU A 70 6.223 -5.821 -1.927 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.716 -5.272 -4.834 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.042 -6.812 -4.063 1.00 0.00 H new ATOM 0 HG LEU A 70 3.656 -5.358 -3.062 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.254 -6.049 -4.961 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.478 -4.846 -5.434 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.711 -6.563 -5.844 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.697 -7.622 -3.085 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.183 -8.238 -3.846 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.242 -7.557 -2.203 1.00 0.00 H new ATOM 1088 N LEU A 71 7.921 -3.529 -3.423 1.00 0.00 N ATOM 1089 CA LEU A 71 9.265 -3.060 -3.715 1.00 0.00 C ATOM 1090 C LEU A 71 10.034 -2.881 -2.405 1.00 0.00 C ATOM 1091 O LEU A 71 11.218 -3.208 -2.326 1.00 0.00 O ATOM 1092 CB LEU A 71 9.217 -1.798 -4.578 1.00 0.00 C ATOM 1093 CG LEU A 71 9.279 -2.016 -6.091 1.00 0.00 C ATOM 1094 CD1 LEU A 71 8.210 -1.190 -6.808 1.00 0.00 C ATOM 1095 CD2 LEU A 71 10.682 -1.729 -6.629 1.00 0.00 C ATOM 0 H LEU A 71 7.189 -2.828 -3.543 1.00 0.00 H new ATOM 0 HA LEU A 71 9.807 -3.800 -4.304 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.299 -1.258 -4.346 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.047 -1.153 -4.290 1.00 0.00 H new ATOM 0 HG LEU A 71 9.065 -3.065 -6.294 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.276 -1.363 -7.882 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.223 -1.486 -6.453 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.368 -0.132 -6.601 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.699 -1.892 -7.707 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.950 -0.694 -6.414 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.399 -2.396 -6.150 1.00 0.00 H new ATOM 1107 N GLN A 72 9.331 -2.362 -1.409 1.00 0.00 N ATOM 1108 CA GLN A 72 9.933 -2.136 -0.106 1.00 0.00 C ATOM 1109 C GLN A 72 10.211 -3.470 0.590 1.00 0.00 C ATOM 1110 O GLN A 72 11.217 -3.615 1.281 1.00 0.00 O ATOM 1111 CB GLN A 72 9.045 -1.240 0.760 1.00 0.00 C ATOM 1112 CG GLN A 72 8.349 -2.052 1.855 1.00 0.00 C ATOM 1113 CD GLN A 72 7.540 -1.142 2.781 1.00 0.00 C ATOM 1114 OE1 GLN A 72 7.847 -0.972 3.950 1.00 0.00 O ATOM 1115 NE2 GLN A 72 6.492 -0.569 2.196 1.00 0.00 N ATOM 0 H GLN A 72 8.350 -2.091 -1.478 1.00 0.00 H new ATOM 0 HA GLN A 72 10.882 -1.620 -0.251 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.648 -0.453 1.213 1.00 0.00 H new ATOM 0 HB3 GLN A 72 8.298 -0.749 0.136 1.00 0.00 H new ATOM 0 HG2 GLN A 72 7.691 -2.793 1.401 1.00 0.00 H new ATOM 0 HG3 GLN A 72 9.092 -2.599 2.435 1.00 0.00 H new ATOM 0 HE21 GLN A 72 6.292 -0.755 1.213 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.888 0.056 2.730 1.00 0.00 H new ATOM 1124 N LEU A 73 9.300 -4.410 0.382 1.00 0.00 N ATOM 1125 CA LEU A 73 9.435 -5.727 0.981 1.00 0.00 C ATOM 1126 C LEU A 73 10.701 -6.399 0.445 1.00 0.00 C ATOM 1127 O LEU A 73 11.503 -6.923 1.216 1.00 0.00 O ATOM 1128 CB LEU A 73 8.162 -6.548 0.760 1.00 0.00 C ATOM 1129 CG LEU A 73 7.188 -6.603 1.939 1.00 0.00 C ATOM 1130 CD1 LEU A 73 7.034 -5.227 2.588 1.00 0.00 C ATOM 1131 CD2 LEU A 73 5.841 -7.188 1.508 1.00 0.00 C ATOM 0 H LEU A 73 8.466 -4.286 -0.192 1.00 0.00 H new ATOM 0 HA LEU A 73 9.551 -5.645 2.062 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.635 -6.140 -0.103 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.450 -7.568 0.504 1.00 0.00 H new ATOM 0 HG LEU A 73 7.603 -7.270 2.695 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.336 -5.295 3.423 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.003 -4.886 2.952 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.652 -4.519 1.853 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.166 -7.217 2.364 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.408 -6.566 0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.988 -8.199 1.128 1.00 0.00 H new ATOM 1143 N GLY A 74 10.840 -6.362 -0.872 1.00 0.00 N ATOM 1144 CA GLY A 74 11.995 -6.961 -1.519 1.00 0.00 C ATOM 1145 C GLY A 74 11.568 -8.060 -2.494 1.00 0.00 C ATOM 1146 O GLY A 74 12.274 -9.053 -2.664 1.00 0.00 O ATOM 0 H GLY A 74 10.172 -5.927 -1.508 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.556 -6.194 -2.053 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.663 -7.378 -0.765 1.00 0.00 H new ATOM 1150 N TYR A 75 10.414 -7.846 -3.109 1.00 0.00 N ATOM 1151 CA TYR A 75 9.884 -8.807 -4.062 1.00 0.00 C ATOM 1152 C TYR A 75 10.026 -8.291 -5.496 1.00 0.00 C ATOM 1153 O TYR A 75 10.083 -9.078 -6.439 1.00 0.00 O ATOM 1154 CB TYR A 75 8.398 -8.955 -3.730 1.00 0.00 C ATOM 1155 CG TYR A 75 8.124 -9.692 -2.419 1.00 0.00 C ATOM 1156 CD1 TYR A 75 8.208 -11.069 -2.371 1.00 0.00 C ATOM 1157 CD2 TYR A 75 7.792 -8.981 -1.283 1.00 0.00 C ATOM 1158 CE1 TYR A 75 7.949 -11.764 -1.136 1.00 0.00 C ATOM 1159 CE2 TYR A 75 7.533 -9.676 -0.049 1.00 0.00 C ATOM 1160 CZ TYR A 75 7.625 -11.033 -0.036 1.00 0.00 C ATOM 1161 OH TYR A 75 7.381 -11.689 1.130 1.00 0.00 O ATOM 0 H TYR A 75 9.831 -7.021 -2.966 1.00 0.00 H new ATOM 0 HA TYR A 75 10.423 -9.752 -3.995 1.00 0.00 H new ATOM 0 HB2 TYR A 75 7.947 -7.964 -3.679 1.00 0.00 H new ATOM 0 HB3 TYR A 75 7.906 -9.487 -4.544 1.00 0.00 H new ATOM 0 HD1 TYR A 75 8.468 -11.625 -3.259 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.727 -7.904 -1.320 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.011 -12.841 -1.085 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.271 -9.132 0.847 1.00 0.00 H new ATOM 0 HH TYR A 75 7.163 -11.040 1.831 1.00 0.00 H new ATOM 1171 N LYS A 76 10.079 -6.973 -5.614 1.00 0.00 N ATOM 1172 CA LYS A 76 10.213 -6.343 -6.916 1.00 0.00 C ATOM 1173 C LYS A 76 11.444 -5.434 -6.914 1.00 0.00 C ATOM 1174 O LYS A 76 11.544 -4.517 -7.728 1.00 0.00 O ATOM 1175 CB LYS A 76 8.918 -5.624 -7.300 1.00 0.00 C ATOM 1176 CG LYS A 76 8.111 -6.447 -8.305 1.00 0.00 C ATOM 1177 CD LYS A 76 8.128 -5.794 -9.688 1.00 0.00 C ATOM 1178 CE LYS A 76 6.729 -5.326 -10.091 1.00 0.00 C ATOM 1179 NZ LYS A 76 6.617 -3.855 -9.962 1.00 0.00 N ATOM 0 H LYS A 76 10.032 -6.324 -4.829 1.00 0.00 H new ATOM 0 HA LYS A 76 10.373 -7.095 -7.688 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.319 -5.445 -6.407 1.00 0.00 H new ATOM 0 HB3 LYS A 76 9.152 -4.649 -7.728 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.523 -7.454 -8.369 1.00 0.00 H new ATOM 0 HG3 LYS A 76 7.082 -6.545 -7.958 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.812 -4.946 -9.685 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.504 -6.504 -10.425 1.00 0.00 H new ATOM 0 HE2 LYS A 76 6.522 -5.624 -11.119 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.982 -5.810 -9.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 5.712 -3.539 -10.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.659 -3.590 -8.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 7.401 -3.401 -10.473 1.00 0.00 H new ATOM 1193 N ALA A 77 12.351 -5.721 -5.992 1.00 0.00 N ATOM 1194 CA ALA A 77 13.571 -4.941 -5.873 1.00 0.00 C ATOM 1195 C ALA A 77 14.574 -5.408 -6.929 1.00 0.00 C ATOM 1196 O ALA A 77 15.050 -4.610 -7.735 1.00 0.00 O ATOM 1197 CB ALA A 77 14.121 -5.066 -4.451 1.00 0.00 C ATOM 0 H ALA A 77 12.265 -6.483 -5.320 1.00 0.00 H new ATOM 0 HA ALA A 77 13.370 -3.885 -6.053 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.036 -4.481 -4.362 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.382 -4.694 -3.741 1.00 0.00 H new ATOM 0 HB3 ALA A 77 14.337 -6.112 -4.235 1.00 0.00 H new ATOM 1203 N SER A 78 14.866 -6.700 -6.891 1.00 0.00 N ATOM 1204 CA SER A 78 15.805 -7.283 -7.835 1.00 0.00 C ATOM 1205 C SER A 78 15.472 -6.824 -9.256 1.00 0.00 C ATOM 1206 O SER A 78 16.337 -6.316 -9.967 1.00 0.00 O ATOM 1207 CB SER A 78 15.790 -8.811 -7.754 1.00 0.00 C ATOM 1208 OG SER A 78 17.100 -9.364 -7.845 1.00 0.00 O ATOM 0 H SER A 78 14.469 -7.359 -6.222 1.00 0.00 H new ATOM 0 HA SER A 78 16.807 -6.942 -7.575 1.00 0.00 H new ATOM 0 HB2 SER A 78 15.331 -9.120 -6.815 1.00 0.00 H new ATOM 0 HB3 SER A 78 15.171 -9.210 -8.558 1.00 0.00 H new ATOM 0 HG SER A 78 17.047 -10.341 -7.788 1.00 0.00 H new ATOM 1214 N THR A 79 14.215 -7.019 -9.627 1.00 0.00 N ATOM 1215 CA THR A 79 13.757 -6.631 -10.950 1.00 0.00 C ATOM 1216 C THR A 79 13.887 -5.118 -11.138 1.00 0.00 C ATOM 1217 O THR A 79 14.584 -4.658 -12.041 1.00 0.00 O ATOM 1218 CB THR A 79 12.326 -7.143 -11.124 1.00 0.00 C ATOM 1219 OG1 THR A 79 12.486 -8.528 -11.420 1.00 0.00 O ATOM 1220 CG2 THR A 79 11.647 -6.572 -12.371 1.00 0.00 C ATOM 0 H THR A 79 13.500 -7.441 -9.034 1.00 0.00 H new ATOM 0 HA THR A 79 14.375 -7.078 -11.729 1.00 0.00 H new ATOM 0 HB THR A 79 11.740 -6.887 -10.242 1.00 0.00 H new ATOM 0 HG1 THR A 79 11.606 -8.939 -11.546 1.00 0.00 H new ATOM 0 HG21 THR A 79 10.634 -6.967 -12.447 1.00 0.00 H new ATOM 0 HG22 THR A 79 11.608 -5.485 -12.299 1.00 0.00 H new ATOM 0 HG23 THR A 79 12.215 -6.856 -13.257 1.00 0.00 H new ATOM 1228 N SER A 80 13.206 -4.385 -10.269 1.00 0.00 N ATOM 1229 CA SER A 80 13.237 -2.934 -10.327 1.00 0.00 C ATOM 1230 C SER A 80 14.657 -2.453 -10.632 1.00 0.00 C ATOM 1231 O SER A 80 14.880 -1.752 -11.618 1.00 0.00 O ATOM 1232 CB SER A 80 12.738 -2.319 -9.018 1.00 0.00 C ATOM 1233 OG SER A 80 13.535 -2.715 -7.904 1.00 0.00 O ATOM 0 H SER A 80 12.629 -4.770 -9.521 1.00 0.00 H new ATOM 0 HA SER A 80 12.570 -2.610 -11.126 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.746 -1.232 -9.102 1.00 0.00 H new ATOM 0 HB3 SER A 80 11.704 -2.618 -8.848 1.00 0.00 H new ATOM 0 HG SER A 80 13.905 -3.608 -8.067 1.00 0.00 H new ATOM 1239 N LEU A 81 15.580 -2.848 -9.768 1.00 0.00 N ATOM 1240 CA LEU A 81 16.972 -2.466 -9.933 1.00 0.00 C ATOM 1241 C LEU A 81 17.419 -2.787 -11.361 1.00 0.00 C ATOM 1242 O LEU A 81 17.781 -1.888 -12.118 1.00 0.00 O ATOM 1243 CB LEU A 81 17.839 -3.122 -8.856 1.00 0.00 C ATOM 1244 CG LEU A 81 18.768 -2.185 -8.080 1.00 0.00 C ATOM 1245 CD1 LEU A 81 18.061 -1.604 -6.854 1.00 0.00 C ATOM 1246 CD2 LEU A 81 20.073 -2.891 -7.709 1.00 0.00 C ATOM 0 H LEU A 81 15.391 -3.429 -8.951 1.00 0.00 H new ATOM 0 HA LEU A 81 17.091 -1.391 -9.795 1.00 0.00 H new ATOM 0 HB2 LEU A 81 17.183 -3.622 -8.144 1.00 0.00 H new ATOM 0 HB3 LEU A 81 18.446 -3.895 -9.327 1.00 0.00 H new ATOM 0 HG LEU A 81 19.028 -1.348 -8.728 1.00 0.00 H new ATOM 0 HD11 LEU A 81 18.743 -0.942 -6.320 1.00 0.00 H new ATOM 0 HD12 LEU A 81 17.184 -1.041 -7.173 1.00 0.00 H new ATOM 0 HD13 LEU A 81 17.752 -2.415 -6.194 1.00 0.00 H new ATOM 0 HD21 LEU A 81 20.715 -2.203 -7.158 1.00 0.00 H new ATOM 0 HD22 LEU A 81 19.853 -3.759 -7.087 1.00 0.00 H new ATOM 0 HD23 LEU A 81 20.582 -3.215 -8.617 1.00 0.00 H new ATOM 1258 N GLN A 82 17.379 -4.071 -11.685 1.00 0.00 N ATOM 1259 CA GLN A 82 17.776 -4.521 -13.008 1.00 0.00 C ATOM 1260 C GLN A 82 17.266 -3.549 -14.074 1.00 0.00 C ATOM 1261 O GLN A 82 18.054 -2.977 -14.826 1.00 0.00 O ATOM 1262 CB GLN A 82 17.275 -5.941 -13.277 1.00 0.00 C ATOM 1263 CG GLN A 82 18.428 -6.946 -13.236 1.00 0.00 C ATOM 1264 CD GLN A 82 17.955 -8.340 -13.654 1.00 0.00 C ATOM 1265 OE1 GLN A 82 18.061 -8.741 -14.802 1.00 0.00 O ATOM 1266 NE2 GLN A 82 17.430 -9.054 -12.662 1.00 0.00 N ATOM 0 H GLN A 82 17.078 -4.814 -11.054 1.00 0.00 H new ATOM 0 HA GLN A 82 18.865 -4.540 -13.052 1.00 0.00 H new ATOM 0 HB2 GLN A 82 16.525 -6.212 -12.535 1.00 0.00 H new ATOM 0 HB3 GLN A 82 16.788 -5.980 -14.251 1.00 0.00 H new ATOM 0 HG2 GLN A 82 19.227 -6.615 -13.899 1.00 0.00 H new ATOM 0 HG3 GLN A 82 18.845 -6.986 -12.230 1.00 0.00 H new ATOM 0 HE21 GLN A 82 17.371 -8.658 -11.724 1.00 0.00 H new ATOM 0 HE22 GLN A 82 17.086 -9.998 -12.839 1.00 0.00 H new ATOM 1275 N ASP A 83 15.951 -3.391 -14.106 1.00 0.00 N ATOM 1276 CA ASP A 83 15.327 -2.499 -15.067 1.00 0.00 C ATOM 1277 C ASP A 83 16.140 -1.206 -15.159 1.00 0.00 C ATOM 1278 O ASP A 83 16.621 -0.846 -16.232 1.00 0.00 O ATOM 1279 CB ASP A 83 13.905 -2.133 -14.637 1.00 0.00 C ATOM 1280 CG ASP A 83 12.919 -1.910 -15.785 1.00 0.00 C ATOM 1281 OD1 ASP A 83 13.295 -2.244 -16.929 1.00 0.00 O ATOM 1282 OD2 ASP A 83 11.811 -1.410 -15.493 1.00 0.00 O ATOM 0 H ASP A 83 15.300 -3.866 -13.481 1.00 0.00 H new ATOM 0 HA ASP A 83 15.293 -3.011 -16.029 1.00 0.00 H new ATOM 0 HB2 ASP A 83 13.520 -2.926 -13.996 1.00 0.00 H new ATOM 0 HB3 ASP A 83 13.946 -1.227 -14.032 1.00 0.00 H new ATOM 1287 N SER A 84 16.269 -0.543 -14.019 1.00 0.00 N ATOM 1288 CA SER A 84 17.016 0.701 -13.957 1.00 0.00 C ATOM 1289 C SER A 84 18.436 0.486 -14.484 1.00 0.00 C ATOM 1290 O SER A 84 18.912 1.248 -15.324 1.00 0.00 O ATOM 1291 CB SER A 84 17.057 1.249 -12.529 1.00 0.00 C ATOM 1292 OG SER A 84 17.956 2.347 -12.404 1.00 0.00 O ATOM 0 H SER A 84 15.868 -0.844 -13.131 1.00 0.00 H new ATOM 0 HA SER A 84 16.510 1.435 -14.584 1.00 0.00 H new ATOM 0 HB2 SER A 84 16.056 1.564 -12.233 1.00 0.00 H new ATOM 0 HB3 SER A 84 17.357 0.455 -11.845 1.00 0.00 H new ATOM 0 HG SER A 84 17.952 2.669 -11.478 1.00 0.00 H new ATOM 1298 N GLY A 85 19.073 -0.555 -13.969 1.00 0.00 N ATOM 1299 CA GLY A 85 20.429 -0.880 -14.378 1.00 0.00 C ATOM 1300 C GLY A 85 20.864 -2.232 -13.807 1.00 0.00 C ATOM 1301 O GLY A 85 20.251 -2.741 -12.870 1.00 0.00 O ATOM 0 H GLY A 85 18.675 -1.185 -13.272 1.00 0.00 H new ATOM 0 HA2 GLY A 85 20.489 -0.904 -15.466 1.00 0.00 H new ATOM 0 HA3 GLY A 85 21.112 -0.101 -14.039 1.00 0.00 H new ATOM 1305 N PRO A 86 21.948 -2.788 -14.412 1.00 0.00 N ATOM 1306 CA PRO A 86 22.473 -4.071 -13.974 1.00 0.00 C ATOM 1307 C PRO A 86 23.237 -3.929 -12.657 1.00 0.00 C ATOM 1308 O PRO A 86 23.643 -2.829 -12.285 1.00 0.00 O ATOM 1309 CB PRO A 86 23.348 -4.550 -15.121 1.00 0.00 C ATOM 1310 CG PRO A 86 23.653 -3.317 -15.956 1.00 0.00 C ATOM 1311 CD PRO A 86 22.699 -2.214 -15.524 1.00 0.00 C ATOM 0 HA PRO A 86 21.688 -4.797 -13.760 1.00 0.00 H new ATOM 0 HB2 PRO A 86 24.265 -5.006 -14.748 1.00 0.00 H new ATOM 0 HB3 PRO A 86 22.834 -5.306 -15.715 1.00 0.00 H new ATOM 0 HG2 PRO A 86 24.687 -3.005 -15.812 1.00 0.00 H new ATOM 0 HG3 PRO A 86 23.530 -3.534 -17.017 1.00 0.00 H new ATOM 0 HD2 PRO A 86 23.241 -1.320 -15.216 1.00 0.00 H new ATOM 0 HD3 PRO A 86 22.037 -1.921 -16.339 1.00 0.00 H new ATOM 1319 N SER A 87 23.411 -5.059 -11.986 1.00 0.00 N ATOM 1320 CA SER A 87 24.120 -5.075 -10.718 1.00 0.00 C ATOM 1321 C SER A 87 24.282 -6.514 -10.227 1.00 0.00 C ATOM 1322 O SER A 87 23.679 -7.434 -10.779 1.00 0.00 O ATOM 1323 CB SER A 87 23.389 -4.235 -9.668 1.00 0.00 C ATOM 1324 OG SER A 87 23.815 -2.875 -9.681 1.00 0.00 O ATOM 0 H SER A 87 23.073 -5.970 -12.297 1.00 0.00 H new ATOM 0 HA SER A 87 25.106 -4.638 -10.872 1.00 0.00 H new ATOM 0 HB2 SER A 87 22.315 -4.280 -9.851 1.00 0.00 H new ATOM 0 HB3 SER A 87 23.562 -4.660 -8.679 1.00 0.00 H new ATOM 0 HG SER A 87 23.685 -2.500 -10.577 1.00 0.00 H new ATOM 1330 N SER A 88 25.098 -6.666 -9.194 1.00 0.00 N ATOM 1331 CA SER A 88 25.347 -7.978 -8.622 1.00 0.00 C ATOM 1332 C SER A 88 26.144 -7.841 -7.324 1.00 0.00 C ATOM 1333 O SER A 88 27.060 -7.024 -7.237 1.00 0.00 O ATOM 1334 CB SER A 88 26.092 -8.877 -9.611 1.00 0.00 C ATOM 1335 OG SER A 88 26.066 -10.245 -9.213 1.00 0.00 O ATOM 0 H SER A 88 25.596 -5.901 -8.738 1.00 0.00 H new ATOM 0 HA SER A 88 24.386 -8.443 -8.402 1.00 0.00 H new ATOM 0 HB2 SER A 88 25.643 -8.778 -10.599 1.00 0.00 H new ATOM 0 HB3 SER A 88 27.126 -8.544 -9.696 1.00 0.00 H new ATOM 0 HG SER A 88 26.550 -10.786 -9.871 1.00 0.00 H new ATOM 1341 N GLY A 89 25.768 -8.653 -6.347 1.00 0.00 N ATOM 1342 CA GLY A 89 26.436 -8.632 -5.057 1.00 0.00 C ATOM 1343 C GLY A 89 25.426 -8.488 -3.918 1.00 0.00 C ATOM 1344 O GLY A 89 24.449 -7.751 -4.039 1.00 0.00 O ATOM 0 H GLY A 89 25.009 -9.330 -6.423 1.00 0.00 H new ATOM 0 HA2 GLY A 89 27.009 -9.550 -4.925 1.00 0.00 H new ATOM 0 HA3 GLY A 89 27.146 -7.806 -5.025 1.00 0.00 H new TER 1348 GLY A 89