USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 640 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 67 THR OG1 : rot 140:sc= 0.00261 USER MOD Set 1.2: A 68 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 52 ASN : amide:sc= 0 X(o=-0.025,f=-0.16) USER MOD Set 2.2: A 53 GLN : amide:sc= -0.0253 X(o=-0.025,f=-0.025) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= 0.563 (180deg=0.414) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc=-0.00499 X(o=-0.005,f=-0.005) USER MOD Single : A 5 HIS : no HD1:sc=-0.000885 X(o=-0.00088,f=-0.00088) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 7 HIS : no HE2:sc= 0.228 K(o=0.23,f=-3.8!) USER MOD Single : A 8 HIS : no HE2:sc= 0.137 K(o=0.14,f=-0.99) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 22 GLN : amide:sc= -1.16 K(o=-1.2,f=-3.9!) USER MOD Single : A 26 GLN : amide:sc= 0.514 K(o=0.51,f=-3.3!) USER MOD Single : A 29 THR OG1 : rot 79:sc= 1.22 USER MOD Single : A 33 SER OG : rot -77:sc= 0.311 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN :FLIP amide:sc=-0.00731 F(o=-1,f=-0.0073) USER MOD Single : A 42 LYS NZ :NH3+ -125:sc= 0.441 (180deg=-0.0369) USER MOD Single : A 44 CYS SG : rot -76:sc= -3.7! USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -123:sc= -1.34 (180deg=-4.27!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -153:sc= 0.895 (180deg=0.528) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0241 USER MOD Single : A 73 CYS SG : rot 180:sc= -0.739 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.830 -10.972 12.800 1.00 0.00 N ATOM 2 CA MET A 1 -13.821 -11.930 11.680 1.00 0.00 C ATOM 3 C MET A 1 -15.268 -12.339 11.357 1.00 0.00 C ATOM 4 O MET A 1 -15.841 -13.216 12.021 1.00 0.00 O ATOM 5 CB MET A 1 -12.937 -13.160 12.027 1.00 0.00 C ATOM 6 CG MET A 1 -11.443 -12.856 12.212 1.00 0.00 C ATOM 7 SD MET A 1 -10.488 -14.336 12.623 1.00 0.00 S ATOM 8 CE MET A 1 -8.805 -13.729 12.488 1.00 0.00 C ATOM 0 H1 MET A 1 -12.900 -10.513 12.871 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.561 -10.251 12.634 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.036 -11.476 13.686 1.00 0.00 H new ATOM 0 HA MET A 1 -13.388 -11.464 10.795 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.316 -13.614 12.943 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.046 -13.901 11.235 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.048 -12.414 11.297 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.320 -12.116 13.003 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.108 -14.536 12.715 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.628 -13.371 11.474 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.655 -12.911 13.193 1.00 0.00 H new ATOM 20 N GLY A 2 -15.850 -11.666 10.343 1.00 0.00 N ATOM 21 CA GLY A 2 -17.245 -11.852 9.966 1.00 0.00 C ATOM 22 C GLY A 2 -18.195 -11.257 10.994 1.00 0.00 C ATOM 23 O GLY A 2 -18.445 -10.045 10.980 1.00 0.00 O ATOM 0 H GLY A 2 -15.357 -10.981 9.770 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -17.424 -11.389 8.996 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -17.452 -12.916 9.854 1.00 0.00 H new ATOM 27 N HIS A 3 -18.718 -12.106 11.891 1.00 0.00 N ATOM 28 CA HIS A 3 -19.490 -11.662 13.068 1.00 0.00 C ATOM 29 C HIS A 3 -18.568 -11.628 14.297 1.00 0.00 C ATOM 30 O HIS A 3 -18.612 -10.678 15.088 1.00 0.00 O ATOM 31 CB HIS A 3 -20.716 -12.589 13.330 1.00 0.00 C ATOM 32 CG HIS A 3 -21.823 -12.475 12.299 1.00 0.00 C ATOM 33 ND1 HIS A 3 -23.121 -12.129 12.621 1.00 0.00 N ATOM 34 CD2 HIS A 3 -21.820 -12.667 10.953 1.00 0.00 C ATOM 35 CE1 HIS A 3 -23.855 -12.113 11.526 1.00 0.00 C ATOM 36 NE2 HIS A 3 -23.091 -12.434 10.505 1.00 0.00 N ATOM 0 H HIS A 3 -18.620 -13.119 11.824 1.00 0.00 H new ATOM 0 HA HIS A 3 -19.876 -10.661 12.873 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -20.373 -13.623 13.363 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -21.127 -12.358 14.313 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -20.971 -12.951 10.349 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -24.907 -11.876 11.476 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -23.397 -12.499 9.534 1.00 0.00 H new ATOM 45 N HIS A 4 -17.716 -12.669 14.439 1.00 0.00 N ATOM 46 CA HIS A 4 -16.804 -12.838 15.595 1.00 0.00 C ATOM 47 C HIS A 4 -15.483 -13.529 15.157 1.00 0.00 C ATOM 48 O HIS A 4 -14.444 -12.866 15.043 1.00 0.00 O ATOM 49 CB HIS A 4 -17.491 -13.653 16.741 1.00 0.00 C ATOM 50 CG HIS A 4 -18.651 -12.953 17.406 1.00 0.00 C ATOM 51 ND1 HIS A 4 -19.963 -13.321 17.212 1.00 0.00 N ATOM 52 CD2 HIS A 4 -18.686 -11.897 18.254 1.00 0.00 C ATOM 53 CE1 HIS A 4 -20.748 -12.523 17.903 1.00 0.00 C ATOM 54 NE2 HIS A 4 -19.999 -11.652 18.543 1.00 0.00 N ATOM 0 H HIS A 4 -17.641 -13.419 13.752 1.00 0.00 H new ATOM 0 HA HIS A 4 -16.566 -11.846 15.979 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -17.842 -14.601 16.334 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -16.744 -13.889 17.499 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -17.834 -11.350 18.631 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -21.826 -12.575 17.939 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -20.343 -10.913 19.156 1.00 0.00 H new ATOM 63 N HIS A 5 -15.546 -14.857 14.882 1.00 0.00 N ATOM 64 CA HIS A 5 -14.351 -15.704 14.598 1.00 0.00 C ATOM 65 C HIS A 5 -14.343 -16.259 13.148 1.00 0.00 C ATOM 66 O HIS A 5 -13.269 -16.607 12.623 1.00 0.00 O ATOM 67 CB HIS A 5 -14.299 -16.869 15.628 1.00 0.00 C ATOM 68 CG HIS A 5 -13.163 -17.862 15.438 1.00 0.00 C ATOM 69 ND1 HIS A 5 -13.356 -19.140 14.958 1.00 0.00 N ATOM 70 CD2 HIS A 5 -11.826 -17.754 15.667 1.00 0.00 C ATOM 71 CE1 HIS A 5 -12.198 -19.769 14.900 1.00 0.00 C ATOM 72 NE2 HIS A 5 -11.257 -18.952 15.319 1.00 0.00 N ATOM 0 H HIS A 5 -16.425 -15.374 14.850 1.00 0.00 H new ATOM 0 HA HIS A 5 -13.464 -15.077 14.693 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -14.222 -16.443 16.628 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -15.243 -17.412 15.584 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -11.310 -16.887 16.051 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -12.048 -20.785 14.565 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -10.263 -19.174 15.376 1.00 0.00 H new ATOM 81 N HIS A 6 -15.526 -16.321 12.503 1.00 0.00 N ATOM 82 CA HIS A 6 -15.695 -16.936 11.164 1.00 0.00 C ATOM 83 C HIS A 6 -15.048 -16.055 10.060 1.00 0.00 C ATOM 84 O HIS A 6 -15.636 -15.069 9.604 1.00 0.00 O ATOM 85 CB HIS A 6 -17.206 -17.175 10.895 1.00 0.00 C ATOM 86 CG HIS A 6 -17.518 -17.892 9.604 1.00 0.00 C ATOM 87 ND1 HIS A 6 -17.574 -17.247 8.388 1.00 0.00 N ATOM 88 CD2 HIS A 6 -17.778 -19.199 9.342 1.00 0.00 C ATOM 89 CE1 HIS A 6 -17.849 -18.117 7.442 1.00 0.00 C ATOM 90 NE2 HIS A 6 -17.978 -19.305 7.991 1.00 0.00 N ATOM 0 H HIS A 6 -16.392 -15.948 12.892 1.00 0.00 H new ATOM 0 HA HIS A 6 -15.181 -17.897 11.142 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -17.620 -17.751 11.722 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -17.716 -16.212 10.891 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -17.819 -20.003 10.062 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -17.952 -17.894 6.390 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -18.193 -20.168 7.491 1.00 0.00 H new ATOM 99 N HIS A 7 -13.827 -16.441 9.649 1.00 0.00 N ATOM 100 CA HIS A 7 -12.981 -15.678 8.691 1.00 0.00 C ATOM 101 C HIS A 7 -12.851 -16.404 7.332 1.00 0.00 C ATOM 102 O HIS A 7 -13.530 -17.411 7.091 1.00 0.00 O ATOM 103 CB HIS A 7 -11.578 -15.438 9.320 1.00 0.00 C ATOM 104 CG HIS A 7 -10.863 -16.685 9.798 1.00 0.00 C ATOM 105 ND1 HIS A 7 -10.724 -17.002 11.130 1.00 0.00 N ATOM 106 CD2 HIS A 7 -10.243 -17.681 9.120 1.00 0.00 C ATOM 107 CE1 HIS A 7 -10.051 -18.127 11.244 1.00 0.00 C ATOM 108 NE2 HIS A 7 -9.749 -18.557 10.041 1.00 0.00 N ATOM 0 H HIS A 7 -13.387 -17.302 9.973 1.00 0.00 H new ATOM 0 HA HIS A 7 -13.464 -14.720 8.496 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -10.949 -14.937 8.584 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -11.687 -14.756 10.163 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -11.086 -16.451 11.908 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -10.156 -17.766 8.047 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -9.791 -18.615 12.172 1.00 0.00 H new ATOM 117 N HIS A 8 -11.989 -15.843 6.443 1.00 0.00 N ATOM 118 CA HIS A 8 -11.610 -16.453 5.145 1.00 0.00 C ATOM 119 C HIS A 8 -10.935 -17.823 5.376 1.00 0.00 C ATOM 120 O HIS A 8 -9.789 -17.885 5.835 1.00 0.00 O ATOM 121 CB HIS A 8 -10.660 -15.496 4.347 1.00 0.00 C ATOM 122 CG HIS A 8 -11.329 -14.279 3.753 1.00 0.00 C ATOM 123 ND1 HIS A 8 -10.924 -13.702 2.564 1.00 0.00 N ATOM 124 CD2 HIS A 8 -12.359 -13.517 4.193 1.00 0.00 C ATOM 125 CE1 HIS A 8 -11.678 -12.657 2.306 1.00 0.00 C ATOM 126 NE2 HIS A 8 -12.551 -12.523 3.277 1.00 0.00 N ATOM 0 H HIS A 8 -11.534 -14.946 6.611 1.00 0.00 H new ATOM 0 HA HIS A 8 -12.513 -16.608 4.554 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -9.862 -15.165 5.011 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -10.191 -16.063 3.543 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -10.159 -14.036 1.978 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -12.924 -13.668 5.101 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -11.594 -12.016 1.441 1.00 0.00 H new ATOM 135 N SER A 9 -11.658 -18.914 5.070 1.00 0.00 N ATOM 136 CA SER A 9 -11.191 -20.288 5.330 1.00 0.00 C ATOM 137 C SER A 9 -11.318 -21.151 4.058 1.00 0.00 C ATOM 138 O SER A 9 -12.352 -21.788 3.818 1.00 0.00 O ATOM 139 CB SER A 9 -11.974 -20.896 6.521 1.00 0.00 C ATOM 140 OG SER A 9 -11.507 -22.197 6.847 1.00 0.00 O ATOM 0 H SER A 9 -12.580 -18.869 4.637 1.00 0.00 H new ATOM 0 HA SER A 9 -10.136 -20.265 5.601 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.877 -20.246 7.390 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.035 -20.941 6.274 1.00 0.00 H new ATOM 0 HG SER A 9 -12.022 -22.549 7.603 1.00 0.00 H new ATOM 146 N HIS A 10 -10.258 -21.140 3.229 1.00 0.00 N ATOM 147 CA HIS A 10 -10.195 -21.907 1.957 1.00 0.00 C ATOM 148 C HIS A 10 -8.805 -22.555 1.802 1.00 0.00 C ATOM 149 O HIS A 10 -8.325 -22.746 0.674 1.00 0.00 O ATOM 150 CB HIS A 10 -10.501 -20.968 0.744 1.00 0.00 C ATOM 151 CG HIS A 10 -11.897 -20.398 0.730 1.00 0.00 C ATOM 152 ND1 HIS A 10 -12.188 -19.099 1.092 1.00 0.00 N ATOM 153 CD2 HIS A 10 -13.084 -20.966 0.415 1.00 0.00 C ATOM 154 CE1 HIS A 10 -13.482 -18.898 0.992 1.00 0.00 C ATOM 155 NE2 HIS A 10 -14.047 -20.014 0.588 1.00 0.00 N ATOM 0 H HIS A 10 -9.414 -20.599 3.417 1.00 0.00 H new ATOM 0 HA HIS A 10 -10.947 -22.696 1.980 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -9.786 -20.145 0.749 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -10.340 -21.524 -0.179 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -13.240 -21.983 0.088 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -13.995 -17.972 1.206 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -15.046 -20.147 0.429 1.00 0.00 H new ATOM 164 N MET A 11 -8.197 -22.935 2.957 1.00 0.00 N ATOM 165 CA MET A 11 -6.798 -23.434 3.052 1.00 0.00 C ATOM 166 C MET A 11 -5.845 -22.337 2.540 1.00 0.00 C ATOM 167 O MET A 11 -5.527 -22.295 1.344 1.00 0.00 O ATOM 168 CB MET A 11 -6.582 -24.782 2.297 1.00 0.00 C ATOM 169 CG MET A 11 -7.504 -25.925 2.744 1.00 0.00 C ATOM 170 SD MET A 11 -7.285 -26.358 4.484 1.00 0.00 S ATOM 171 CE MET A 11 -8.602 -27.550 4.748 1.00 0.00 C ATOM 0 H MET A 11 -8.670 -22.903 3.860 1.00 0.00 H new ATOM 0 HA MET A 11 -6.581 -23.652 4.098 1.00 0.00 H new ATOM 0 HB2 MET A 11 -6.728 -24.612 1.230 1.00 0.00 H new ATOM 0 HB3 MET A 11 -5.547 -25.096 2.431 1.00 0.00 H new ATOM 0 HG2 MET A 11 -8.541 -25.637 2.573 1.00 0.00 H new ATOM 0 HG3 MET A 11 -7.311 -26.804 2.128 1.00 0.00 H new ATOM 0 HE1 MET A 11 -8.578 -27.896 5.781 1.00 0.00 H new ATOM 0 HE2 MET A 11 -9.564 -27.080 4.545 1.00 0.00 H new ATOM 0 HE3 MET A 11 -8.464 -28.399 4.078 1.00 0.00 H new ATOM 181 N ALA A 12 -5.440 -21.435 3.469 1.00 0.00 N ATOM 182 CA ALA A 12 -4.833 -20.119 3.148 1.00 0.00 C ATOM 183 C ALA A 12 -5.874 -19.240 2.407 1.00 0.00 C ATOM 184 O ALA A 12 -7.088 -19.483 2.524 1.00 0.00 O ATOM 185 CB ALA A 12 -3.507 -20.278 2.358 1.00 0.00 C ATOM 0 H ALA A 12 -5.527 -21.603 4.471 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.562 -19.612 4.074 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.092 -19.294 2.141 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.795 -20.849 2.954 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.701 -20.804 1.423 1.00 0.00 H new ATOM 191 N ASP A 13 -5.412 -18.207 1.675 1.00 0.00 N ATOM 192 CA ASP A 13 -6.290 -17.340 0.874 1.00 0.00 C ATOM 193 C ASP A 13 -5.522 -16.833 -0.359 1.00 0.00 C ATOM 194 O ASP A 13 -4.618 -16.016 -0.202 1.00 0.00 O ATOM 195 CB ASP A 13 -6.813 -16.148 1.731 1.00 0.00 C ATOM 196 CG ASP A 13 -7.835 -15.279 0.979 1.00 0.00 C ATOM 197 OD1 ASP A 13 -9.049 -15.569 1.052 1.00 0.00 O ATOM 198 OD2 ASP A 13 -7.437 -14.300 0.309 1.00 0.00 O ATOM 0 H ASP A 13 -4.425 -17.954 1.624 1.00 0.00 H new ATOM 0 HA ASP A 13 -7.155 -17.914 0.541 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.271 -16.534 2.642 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.970 -15.528 2.036 1.00 0.00 H new ATOM 203 N PRO A 14 -5.766 -17.407 -1.579 1.00 0.00 N ATOM 204 CA PRO A 14 -5.329 -16.817 -2.867 1.00 0.00 C ATOM 205 C PRO A 14 -6.496 -16.110 -3.625 1.00 0.00 C ATOM 206 O PRO A 14 -7.439 -16.769 -4.089 1.00 0.00 O ATOM 207 CB PRO A 14 -4.820 -18.085 -3.609 1.00 0.00 C ATOM 208 CG PRO A 14 -5.649 -19.250 -3.061 1.00 0.00 C ATOM 209 CD PRO A 14 -6.378 -18.744 -1.808 1.00 0.00 C ATOM 0 HA PRO A 14 -4.585 -16.026 -2.769 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -4.950 -17.986 -4.687 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.757 -18.243 -3.429 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.364 -19.597 -3.807 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.007 -20.096 -2.816 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -7.454 -18.673 -1.969 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -6.226 -19.408 -0.957 1.00 0.00 H new ATOM 217 N GLY A 15 -6.441 -14.767 -3.742 1.00 0.00 N ATOM 218 CA GLY A 15 -7.497 -13.998 -4.412 1.00 0.00 C ATOM 219 C GLY A 15 -7.475 -12.540 -3.986 1.00 0.00 C ATOM 220 O GLY A 15 -7.565 -11.636 -4.825 1.00 0.00 O ATOM 0 H GLY A 15 -5.676 -14.198 -3.380 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.369 -14.065 -5.492 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.469 -14.432 -4.179 1.00 0.00 H new ATOM 224 N ARG A 16 -7.339 -12.329 -2.666 1.00 0.00 N ATOM 225 CA ARG A 16 -7.268 -10.988 -2.057 1.00 0.00 C ATOM 226 C ARG A 16 -5.930 -10.272 -2.336 1.00 0.00 C ATOM 227 O ARG A 16 -5.941 -9.074 -2.500 1.00 0.00 O ATOM 228 CB ARG A 16 -7.512 -11.041 -0.510 1.00 0.00 C ATOM 229 CG ARG A 16 -8.997 -11.249 -0.062 1.00 0.00 C ATOM 230 CD ARG A 16 -9.551 -10.060 0.758 1.00 0.00 C ATOM 231 NE ARG A 16 -8.689 -9.745 1.922 1.00 0.00 N ATOM 232 CZ ARG A 16 -9.095 -9.560 3.194 1.00 0.00 C ATOM 233 NH1 ARG A 16 -10.381 -9.651 3.542 1.00 0.00 N ATOM 234 NH2 ARG A 16 -8.196 -9.288 4.125 1.00 0.00 N ATOM 0 H ARG A 16 -7.275 -13.087 -1.987 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.064 -10.413 -2.529 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.910 -11.849 -0.094 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -7.147 -10.112 -0.071 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.620 -11.397 -0.944 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.067 -12.159 0.534 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.631 -9.182 0.117 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.558 -10.295 1.104 1.00 0.00 H new ATOM 0 HE ARG A 16 -7.689 -9.660 1.743 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -11.086 -9.866 2.837 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -10.658 -9.506 4.513 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.209 -9.220 3.877 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -8.490 -9.146 5.091 1.00 0.00 H new ATOM 248 N GLU A 17 -4.809 -11.020 -2.433 1.00 0.00 N ATOM 249 CA GLU A 17 -3.432 -10.475 -2.281 1.00 0.00 C ATOM 250 C GLU A 17 -3.030 -9.499 -3.410 1.00 0.00 C ATOM 251 O GLU A 17 -2.611 -8.369 -3.134 1.00 0.00 O ATOM 252 CB GLU A 17 -2.422 -11.646 -2.193 1.00 0.00 C ATOM 253 CG GLU A 17 -0.952 -11.225 -1.982 1.00 0.00 C ATOM 254 CD GLU A 17 0.016 -12.412 -1.980 1.00 0.00 C ATOM 255 OE1 GLU A 17 0.148 -13.076 -3.027 1.00 0.00 O ATOM 256 OE2 GLU A 17 0.636 -12.704 -0.932 1.00 0.00 O ATOM 0 H GLU A 17 -4.828 -12.023 -2.619 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.417 -9.892 -1.360 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.718 -12.300 -1.373 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.488 -12.233 -3.109 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.663 -10.529 -2.769 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.865 -10.691 -1.036 1.00 0.00 H new ATOM 263 N GLY A 18 -3.100 -9.964 -4.676 1.00 0.00 N ATOM 264 CA GLY A 18 -2.804 -9.116 -5.845 1.00 0.00 C ATOM 265 C GLY A 18 -3.808 -7.988 -6.041 1.00 0.00 C ATOM 266 O GLY A 18 -3.458 -6.935 -6.570 1.00 0.00 O ATOM 0 H GLY A 18 -3.359 -10.922 -4.912 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.807 -8.690 -5.733 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.787 -9.737 -6.741 1.00 0.00 H new ATOM 270 N HIS A 19 -5.051 -8.218 -5.571 1.00 0.00 N ATOM 271 CA HIS A 19 -6.143 -7.222 -5.621 1.00 0.00 C ATOM 272 C HIS A 19 -5.882 -6.133 -4.566 1.00 0.00 C ATOM 273 O HIS A 19 -6.187 -4.959 -4.769 1.00 0.00 O ATOM 274 CB HIS A 19 -7.525 -7.909 -5.383 1.00 0.00 C ATOM 275 CG HIS A 19 -8.028 -8.739 -6.538 1.00 0.00 C ATOM 276 ND1 HIS A 19 -9.312 -8.651 -7.030 1.00 0.00 N ATOM 277 CD2 HIS A 19 -7.420 -9.686 -7.291 1.00 0.00 C ATOM 278 CE1 HIS A 19 -9.465 -9.500 -8.024 1.00 0.00 C ATOM 279 NE2 HIS A 19 -8.332 -10.136 -8.204 1.00 0.00 N ATOM 0 H HIS A 19 -5.327 -9.102 -5.145 1.00 0.00 H new ATOM 0 HA HIS A 19 -6.169 -6.762 -6.609 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -7.451 -8.546 -4.502 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -8.263 -7.139 -5.159 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -6.399 -10.024 -7.189 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -10.370 -9.648 -8.595 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -8.160 -10.851 -8.911 1.00 0.00 H new ATOM 288 N LEU A 20 -5.310 -6.580 -3.438 1.00 0.00 N ATOM 289 CA LEU A 20 -4.883 -5.749 -2.303 1.00 0.00 C ATOM 290 C LEU A 20 -3.713 -4.861 -2.747 1.00 0.00 C ATOM 291 O LEU A 20 -3.664 -3.683 -2.409 1.00 0.00 O ATOM 292 CB LEU A 20 -4.524 -6.716 -1.112 1.00 0.00 C ATOM 293 CG LEU A 20 -4.128 -6.122 0.283 1.00 0.00 C ATOM 294 CD1 LEU A 20 -2.639 -5.763 0.385 1.00 0.00 C ATOM 295 CD2 LEU A 20 -5.024 -4.933 0.640 1.00 0.00 C ATOM 0 H LEU A 20 -5.125 -7.571 -3.286 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.668 -5.075 -1.960 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.382 -7.370 -0.955 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.699 -7.346 -1.443 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.293 -6.909 1.019 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.430 -5.357 1.375 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.037 -6.658 0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.391 -5.019 -0.372 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.732 -4.536 1.612 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.916 -4.156 -0.117 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.063 -5.259 0.679 1.00 0.00 H new ATOM 307 N GLU A 21 -2.817 -5.448 -3.560 1.00 0.00 N ATOM 308 CA GLU A 21 -1.660 -4.755 -4.143 1.00 0.00 C ATOM 309 C GLU A 21 -2.133 -3.678 -5.148 1.00 0.00 C ATOM 310 O GLU A 21 -1.566 -2.583 -5.200 1.00 0.00 O ATOM 311 CB GLU A 21 -0.726 -5.795 -4.817 1.00 0.00 C ATOM 312 CG GLU A 21 0.598 -5.223 -5.365 1.00 0.00 C ATOM 313 CD GLU A 21 1.629 -6.308 -5.728 1.00 0.00 C ATOM 314 OE1 GLU A 21 2.326 -6.819 -4.822 1.00 0.00 O ATOM 315 OE2 GLU A 21 1.736 -6.674 -6.908 1.00 0.00 O ATOM 0 H GLU A 21 -2.879 -6.429 -3.832 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.099 -4.246 -3.359 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.495 -6.576 -4.093 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.266 -6.269 -5.636 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.387 -4.622 -6.250 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.032 -4.554 -4.621 1.00 0.00 H new ATOM 322 N GLN A 22 -3.203 -4.011 -5.921 1.00 0.00 N ATOM 323 CA GLN A 22 -3.876 -3.071 -6.851 1.00 0.00 C ATOM 324 C GLN A 22 -4.488 -1.889 -6.073 1.00 0.00 C ATOM 325 O GLN A 22 -4.425 -0.745 -6.534 1.00 0.00 O ATOM 326 CB GLN A 22 -4.994 -3.789 -7.668 1.00 0.00 C ATOM 327 CG GLN A 22 -4.492 -4.854 -8.661 1.00 0.00 C ATOM 328 CD GLN A 22 -5.629 -5.636 -9.328 1.00 0.00 C ATOM 329 OE1 GLN A 22 -6.075 -6.662 -8.815 1.00 0.00 O ATOM 330 NE2 GLN A 22 -6.116 -5.167 -10.468 1.00 0.00 N ATOM 0 H GLN A 22 -3.621 -4.941 -5.914 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.123 -2.698 -7.545 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.686 -4.261 -6.971 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -5.560 -3.038 -8.219 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -3.891 -4.370 -9.431 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -3.838 -5.551 -8.137 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -5.731 -4.315 -10.875 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -6.876 -5.658 -10.938 1.00 0.00 H new ATOM 339 N ARG A 23 -5.085 -2.184 -4.894 1.00 0.00 N ATOM 340 CA ARG A 23 -5.732 -1.180 -4.035 1.00 0.00 C ATOM 341 C ARG A 23 -4.711 -0.225 -3.419 1.00 0.00 C ATOM 342 O ARG A 23 -4.964 0.974 -3.374 1.00 0.00 O ATOM 343 CB ARG A 23 -6.570 -1.873 -2.920 1.00 0.00 C ATOM 344 CG ARG A 23 -7.897 -2.473 -3.422 1.00 0.00 C ATOM 345 CD ARG A 23 -8.897 -1.388 -3.862 1.00 0.00 C ATOM 346 NE ARG A 23 -9.322 -0.555 -2.719 1.00 0.00 N ATOM 347 CZ ARG A 23 -9.230 0.781 -2.644 1.00 0.00 C ATOM 348 NH1 ARG A 23 -8.722 1.503 -3.635 1.00 0.00 N ATOM 349 NH2 ARG A 23 -9.671 1.393 -1.575 1.00 0.00 N ATOM 0 H ARG A 23 -5.128 -3.130 -4.516 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.401 -0.591 -4.663 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.972 -2.664 -2.468 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -6.784 -1.147 -2.135 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.698 -3.142 -4.259 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.343 -3.076 -2.631 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.440 -0.757 -4.625 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.769 -1.857 -4.317 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.721 -1.039 -1.915 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.389 1.043 -4.482 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -8.665 2.518 -3.549 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.079 0.854 -0.811 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -9.607 2.409 -1.506 1.00 0.00 H new ATOM 363 N ILE A 24 -3.571 -0.772 -2.941 1.00 0.00 N ATOM 364 CA ILE A 24 -2.482 0.042 -2.361 1.00 0.00 C ATOM 365 C ILE A 24 -1.983 1.050 -3.412 1.00 0.00 C ATOM 366 O ILE A 24 -2.004 2.255 -3.160 1.00 0.00 O ATOM 367 CB ILE A 24 -1.274 -0.831 -1.840 1.00 0.00 C ATOM 368 CG1 ILE A 24 -1.731 -1.840 -0.743 1.00 0.00 C ATOM 369 CG2 ILE A 24 -0.120 0.058 -1.297 1.00 0.00 C ATOM 370 CD1 ILE A 24 -0.666 -2.845 -0.319 1.00 0.00 C ATOM 0 H ILE A 24 -3.382 -1.774 -2.946 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.891 0.563 -1.496 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.901 -1.395 -2.694 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.053 -1.280 0.135 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.601 -2.385 -1.110 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.694 -0.576 -0.947 1.00 0.00 H new ATOM 0 HG22 ILE A 24 0.243 0.709 -2.092 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.487 0.666 -0.470 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.073 -3.505 0.447 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.359 -3.436 -1.182 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.197 -2.313 0.082 1.00 0.00 H new ATOM 382 N LEU A 25 -1.637 0.542 -4.623 1.00 0.00 N ATOM 383 CA LEU A 25 -1.121 1.367 -5.737 1.00 0.00 C ATOM 384 C LEU A 25 -2.122 2.472 -6.128 1.00 0.00 C ATOM 385 O LEU A 25 -1.721 3.614 -6.373 1.00 0.00 O ATOM 386 CB LEU A 25 -0.811 0.472 -6.975 1.00 0.00 C ATOM 387 CG LEU A 25 0.379 -0.514 -6.822 1.00 0.00 C ATOM 388 CD1 LEU A 25 0.525 -1.426 -8.055 1.00 0.00 C ATOM 389 CD2 LEU A 25 1.685 0.245 -6.526 1.00 0.00 C ATOM 0 H LEU A 25 -1.709 -0.450 -4.850 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.202 1.844 -5.398 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.705 -0.103 -7.215 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.611 1.122 -7.827 1.00 0.00 H new ATOM 0 HG LEU A 25 0.166 -1.160 -5.970 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.368 -2.101 -7.910 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.387 -2.008 -8.187 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.698 -0.815 -8.941 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.504 -0.467 -6.423 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.901 0.931 -7.345 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.576 0.809 -5.600 1.00 0.00 H new ATOM 401 N GLN A 26 -3.426 2.120 -6.143 1.00 0.00 N ATOM 402 CA GLN A 26 -4.511 3.034 -6.549 1.00 0.00 C ATOM 403 C GLN A 26 -4.674 4.183 -5.539 1.00 0.00 C ATOM 404 O GLN A 26 -4.730 5.347 -5.929 1.00 0.00 O ATOM 405 CB GLN A 26 -5.839 2.251 -6.686 1.00 0.00 C ATOM 406 CG GLN A 26 -7.068 3.125 -7.023 1.00 0.00 C ATOM 407 CD GLN A 26 -8.371 2.343 -7.093 1.00 0.00 C ATOM 408 OE1 GLN A 26 -8.528 1.309 -6.441 1.00 0.00 O ATOM 409 NE2 GLN A 26 -9.333 2.843 -7.853 1.00 0.00 N ATOM 0 H GLN A 26 -3.754 1.193 -5.873 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.249 3.467 -7.514 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.722 1.496 -7.463 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.031 1.721 -5.753 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.164 3.908 -6.271 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -6.900 3.621 -7.979 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.172 3.701 -8.381 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.235 2.370 -7.911 1.00 0.00 H new ATOM 418 N VAL A 27 -4.744 3.824 -4.243 1.00 0.00 N ATOM 419 CA VAL A 27 -4.892 4.772 -3.117 1.00 0.00 C ATOM 420 C VAL A 27 -3.714 5.782 -3.070 1.00 0.00 C ATOM 421 O VAL A 27 -3.915 6.979 -2.827 1.00 0.00 O ATOM 422 CB VAL A 27 -5.036 3.956 -1.765 1.00 0.00 C ATOM 423 CG1 VAL A 27 -4.885 4.846 -0.514 1.00 0.00 C ATOM 424 CG2 VAL A 27 -6.393 3.192 -1.726 1.00 0.00 C ATOM 0 H VAL A 27 -4.699 2.851 -3.942 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.795 5.366 -3.260 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.218 3.236 -1.745 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -4.993 4.235 0.382 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.901 5.315 -0.518 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.655 5.618 -0.522 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.472 2.638 -0.790 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.214 3.905 -1.796 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.443 2.497 -2.564 1.00 0.00 H new ATOM 434 N LEU A 28 -2.503 5.275 -3.349 1.00 0.00 N ATOM 435 CA LEU A 28 -1.270 6.084 -3.427 1.00 0.00 C ATOM 436 C LEU A 28 -1.311 7.038 -4.646 1.00 0.00 C ATOM 437 O LEU A 28 -0.920 8.212 -4.538 1.00 0.00 O ATOM 438 CB LEU A 28 -0.030 5.150 -3.492 1.00 0.00 C ATOM 439 CG LEU A 28 0.174 4.219 -2.255 1.00 0.00 C ATOM 440 CD1 LEU A 28 1.297 3.200 -2.494 1.00 0.00 C ATOM 441 CD2 LEU A 28 0.407 5.023 -0.962 1.00 0.00 C ATOM 0 H LEU A 28 -2.348 4.283 -3.529 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.197 6.699 -2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.111 4.528 -4.384 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.861 5.766 -3.613 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.752 3.660 -2.122 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.410 2.570 -1.612 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.048 2.579 -3.354 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.232 3.727 -2.686 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.544 4.337 -0.126 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.298 5.641 -1.074 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.456 5.661 -0.770 1.00 0.00 H new ATOM 453 N THR A 29 -1.835 6.528 -5.787 1.00 0.00 N ATOM 454 CA THR A 29 -1.931 7.275 -7.058 1.00 0.00 C ATOM 455 C THR A 29 -2.953 8.427 -6.959 1.00 0.00 C ATOM 456 O THR A 29 -2.628 9.572 -7.302 1.00 0.00 O ATOM 457 CB THR A 29 -2.325 6.302 -8.231 1.00 0.00 C ATOM 458 OG1 THR A 29 -1.265 5.356 -8.448 1.00 0.00 O ATOM 459 CG2 THR A 29 -2.641 7.017 -9.565 1.00 0.00 C ATOM 0 H THR A 29 -2.205 5.579 -5.848 1.00 0.00 H new ATOM 0 HA THR A 29 -0.953 7.710 -7.265 1.00 0.00 H new ATOM 0 HB THR A 29 -3.244 5.807 -7.916 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.314 4.649 -7.771 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.903 6.277 -10.321 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.477 7.701 -9.422 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.766 7.577 -9.894 1.00 0.00 H new ATOM 467 N GLU A 30 -4.170 8.129 -6.445 1.00 0.00 N ATOM 468 CA GLU A 30 -5.291 9.087 -6.417 1.00 0.00 C ATOM 469 C GLU A 30 -5.038 10.197 -5.390 1.00 0.00 C ATOM 470 O GLU A 30 -5.353 11.362 -5.651 1.00 0.00 O ATOM 471 CB GLU A 30 -6.634 8.367 -6.119 1.00 0.00 C ATOM 472 CG GLU A 30 -7.101 7.400 -7.236 1.00 0.00 C ATOM 473 CD GLU A 30 -8.521 6.823 -7.052 1.00 0.00 C ATOM 474 OE1 GLU A 30 -9.273 7.289 -6.166 1.00 0.00 O ATOM 475 OE2 GLU A 30 -8.905 5.912 -7.814 1.00 0.00 O ATOM 0 H GLU A 30 -4.397 7.221 -6.041 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.361 9.543 -7.404 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.534 7.808 -5.189 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.407 9.118 -5.958 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.060 7.925 -8.190 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.394 6.572 -7.297 1.00 0.00 H new ATOM 482 N ALA A 31 -4.466 9.821 -4.221 1.00 0.00 N ATOM 483 CA ALA A 31 -4.034 10.788 -3.191 1.00 0.00 C ATOM 484 C ALA A 31 -2.927 11.713 -3.730 1.00 0.00 C ATOM 485 O ALA A 31 -2.864 12.893 -3.355 1.00 0.00 O ATOM 486 CB ALA A 31 -3.552 10.057 -1.931 1.00 0.00 C ATOM 0 H ALA A 31 -4.294 8.848 -3.970 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.894 11.404 -2.929 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.238 10.787 -1.185 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.364 9.452 -1.528 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.711 9.412 -2.184 1.00 0.00 H new ATOM 492 N GLY A 32 -2.071 11.155 -4.618 1.00 0.00 N ATOM 493 CA GLY A 32 -0.955 11.889 -5.206 1.00 0.00 C ATOM 494 C GLY A 32 0.081 12.307 -4.177 1.00 0.00 C ATOM 495 O GLY A 32 0.740 13.342 -4.332 1.00 0.00 O ATOM 0 H GLY A 32 -2.144 10.189 -4.937 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.477 11.269 -5.965 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.336 12.776 -5.713 1.00 0.00 H new ATOM 499 N SER A 33 0.237 11.465 -3.144 1.00 0.00 N ATOM 500 CA SER A 33 1.044 11.760 -1.954 1.00 0.00 C ATOM 501 C SER A 33 1.185 10.470 -1.102 1.00 0.00 C ATOM 502 O SER A 33 0.346 9.561 -1.233 1.00 0.00 O ATOM 503 CB SER A 33 0.370 12.921 -1.152 1.00 0.00 C ATOM 504 OG SER A 33 -1.016 12.669 -0.943 1.00 0.00 O ATOM 0 H SER A 33 -0.202 10.545 -3.113 1.00 0.00 H new ATOM 0 HA SER A 33 2.045 12.086 -2.236 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.869 13.039 -0.190 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.494 13.859 -1.693 1.00 0.00 H new ATOM 0 HG SER A 33 -1.510 12.851 -1.770 1.00 0.00 H new ATOM 510 N PRO A 34 2.263 10.349 -0.248 1.00 0.00 N ATOM 511 CA PRO A 34 2.460 9.166 0.640 1.00 0.00 C ATOM 512 C PRO A 34 1.308 8.973 1.654 1.00 0.00 C ATOM 513 O PRO A 34 1.070 9.837 2.508 1.00 0.00 O ATOM 514 CB PRO A 34 3.805 9.471 1.368 1.00 0.00 C ATOM 515 CG PRO A 34 4.007 10.953 1.217 1.00 0.00 C ATOM 516 CD PRO A 34 3.389 11.320 -0.112 1.00 0.00 C ATOM 0 HA PRO A 34 2.475 8.236 0.072 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.758 9.185 2.419 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.629 8.914 0.923 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.532 11.497 2.033 1.00 0.00 H new ATOM 0 HG3 PRO A 34 5.067 11.207 1.239 1.00 0.00 H new ATOM 0 HD2 PRO A 34 3.034 12.351 -0.120 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.104 11.223 -0.929 1.00 0.00 H new ATOM 524 N VAL A 35 0.610 7.827 1.558 1.00 0.00 N ATOM 525 CA VAL A 35 -0.519 7.484 2.440 1.00 0.00 C ATOM 526 C VAL A 35 -0.007 6.583 3.581 1.00 0.00 C ATOM 527 O VAL A 35 0.765 5.643 3.342 1.00 0.00 O ATOM 528 CB VAL A 35 -1.674 6.750 1.653 1.00 0.00 C ATOM 529 CG1 VAL A 35 -2.859 6.374 2.580 1.00 0.00 C ATOM 530 CG2 VAL A 35 -2.151 7.601 0.449 1.00 0.00 C ATOM 0 H VAL A 35 0.815 7.110 0.863 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.934 8.408 2.844 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.263 5.817 1.267 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.631 5.871 1.998 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.507 5.708 3.368 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.273 7.278 3.027 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.947 7.074 -0.077 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.526 8.560 0.807 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.316 7.769 -0.231 1.00 0.00 H new ATOM 540 N LYS A 36 -0.450 6.882 4.812 1.00 0.00 N ATOM 541 CA LYS A 36 -0.089 6.115 6.013 1.00 0.00 C ATOM 542 C LYS A 36 -0.679 4.700 5.929 1.00 0.00 C ATOM 543 O LYS A 36 -1.787 4.527 5.418 1.00 0.00 O ATOM 544 CB LYS A 36 -0.615 6.844 7.276 1.00 0.00 C ATOM 545 CG LYS A 36 -0.114 8.301 7.408 1.00 0.00 C ATOM 546 CD LYS A 36 -0.834 9.082 8.538 1.00 0.00 C ATOM 547 CE LYS A 36 -0.365 10.543 8.651 1.00 0.00 C ATOM 548 NZ LYS A 36 -1.102 11.289 9.709 1.00 0.00 N ATOM 0 H LYS A 36 -1.072 7.667 5.003 1.00 0.00 H new ATOM 0 HA LYS A 36 0.996 6.036 6.077 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.705 6.844 7.257 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.312 6.284 8.160 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.959 8.296 7.602 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.264 8.820 6.461 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.909 9.064 8.357 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.662 8.576 9.488 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.703 10.564 8.870 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.504 11.043 7.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.754 12.268 9.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.118 11.292 9.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.949 10.828 10.629 1.00 0.00 H new ATOM 562 N LEU A 37 0.069 3.711 6.434 1.00 0.00 N ATOM 563 CA LEU A 37 -0.346 2.294 6.458 1.00 0.00 C ATOM 564 C LEU A 37 -1.631 2.117 7.293 1.00 0.00 C ATOM 565 O LEU A 37 -2.513 1.350 6.911 1.00 0.00 O ATOM 566 CB LEU A 37 0.827 1.413 6.977 1.00 0.00 C ATOM 567 CG LEU A 37 0.563 -0.124 7.176 1.00 0.00 C ATOM 568 CD1 LEU A 37 -0.167 -0.752 5.972 1.00 0.00 C ATOM 569 CD2 LEU A 37 1.886 -0.870 7.470 1.00 0.00 C ATOM 0 H LEU A 37 0.990 3.869 6.843 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.584 1.966 5.446 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.659 1.522 6.282 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.155 1.822 7.933 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.097 -0.230 8.037 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.327 -1.814 6.157 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.129 -0.259 5.833 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.438 -0.627 5.074 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.683 -1.932 7.605 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.573 -0.735 6.635 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.336 -0.469 8.378 1.00 0.00 H new ATOM 581 N ALA A 38 -1.696 2.814 8.444 1.00 0.00 N ATOM 582 CA ALA A 38 -2.933 2.983 9.245 1.00 0.00 C ATOM 583 C ALA A 38 -4.174 3.348 8.392 1.00 0.00 C ATOM 584 O ALA A 38 -5.257 2.803 8.616 1.00 0.00 O ATOM 585 CB ALA A 38 -2.697 4.045 10.326 1.00 0.00 C ATOM 0 H ALA A 38 -0.886 3.281 8.851 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.154 2.018 9.702 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.605 4.171 10.916 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.882 3.727 10.977 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.436 4.992 9.854 1.00 0.00 H new ATOM 591 N GLN A 39 -4.003 4.253 7.404 1.00 0.00 N ATOM 592 CA GLN A 39 -5.106 4.685 6.523 1.00 0.00 C ATOM 593 C GLN A 39 -5.295 3.669 5.379 1.00 0.00 C ATOM 594 O GLN A 39 -6.416 3.470 4.920 1.00 0.00 O ATOM 595 CB GLN A 39 -4.876 6.122 5.971 1.00 0.00 C ATOM 596 CG GLN A 39 -6.094 6.684 5.191 1.00 0.00 C ATOM 597 CD GLN A 39 -5.990 8.171 4.868 1.00 0.00 C ATOM 598 OE1 GLN A 39 -5.386 8.499 3.748 1.00 0.00 O flip ATOM 599 NE2 GLN A 39 -6.447 9.021 5.631 1.00 0.00 N flip ATOM 0 H GLN A 39 -3.109 4.698 7.198 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.021 4.719 7.115 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.646 6.790 6.801 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.005 6.117 5.316 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.205 6.127 4.261 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.998 6.512 5.775 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.911 8.736 6.493 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.362 10.011 5.401 1.00 0.00 H new ATOM 608 N LEU A 40 -4.199 2.981 4.964 1.00 0.00 N ATOM 609 CA LEU A 40 -4.263 1.925 3.922 1.00 0.00 C ATOM 610 C LEU A 40 -5.209 0.790 4.383 1.00 0.00 C ATOM 611 O LEU A 40 -5.911 0.204 3.559 1.00 0.00 O ATOM 612 CB LEU A 40 -2.843 1.354 3.579 1.00 0.00 C ATOM 613 CG LEU A 40 -1.879 2.299 2.784 1.00 0.00 C ATOM 614 CD1 LEU A 40 -0.475 1.667 2.617 1.00 0.00 C ATOM 615 CD2 LEU A 40 -2.483 2.676 1.412 1.00 0.00 C ATOM 0 H LEU A 40 -3.262 3.139 5.335 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.657 2.376 3.011 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.354 1.075 4.512 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.974 0.438 3.002 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.760 3.213 3.365 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.168 2.350 2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.041 1.479 3.599 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.562 0.726 2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.795 3.332 0.880 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.648 1.772 0.826 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.432 3.190 1.561 1.00 0.00 H new ATOM 627 N VAL A 41 -5.212 0.521 5.720 1.00 0.00 N ATOM 628 CA VAL A 41 -6.118 -0.457 6.387 1.00 0.00 C ATOM 629 C VAL A 41 -7.592 -0.207 6.023 1.00 0.00 C ATOM 630 O VAL A 41 -8.271 -1.103 5.508 1.00 0.00 O ATOM 631 CB VAL A 41 -5.949 -0.432 7.965 1.00 0.00 C ATOM 632 CG1 VAL A 41 -6.925 -1.412 8.671 1.00 0.00 C ATOM 633 CG2 VAL A 41 -4.487 -0.731 8.379 1.00 0.00 C ATOM 0 H VAL A 41 -4.577 0.983 6.371 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.830 -1.442 6.021 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.200 0.577 8.292 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.774 -1.362 9.749 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.953 -1.135 8.435 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.734 -2.428 8.325 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.404 -0.707 9.466 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.200 -1.718 8.015 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.826 0.021 7.948 1.00 0.00 H new ATOM 643 N LYS A 42 -8.067 1.026 6.284 1.00 0.00 N ATOM 644 CA LYS A 42 -9.487 1.373 6.117 1.00 0.00 C ATOM 645 C LYS A 42 -9.870 1.445 4.630 1.00 0.00 C ATOM 646 O LYS A 42 -10.975 1.027 4.265 1.00 0.00 O ATOM 647 CB LYS A 42 -9.858 2.689 6.864 1.00 0.00 C ATOM 648 CG LYS A 42 -9.132 3.968 6.375 1.00 0.00 C ATOM 649 CD LYS A 42 -9.593 5.250 7.106 1.00 0.00 C ATOM 650 CE LYS A 42 -11.096 5.562 6.900 1.00 0.00 C ATOM 651 NZ LYS A 42 -11.445 5.742 5.461 1.00 0.00 N ATOM 0 H LYS A 42 -7.486 1.797 6.612 1.00 0.00 H new ATOM 0 HA LYS A 42 -10.070 0.573 6.574 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -10.933 2.846 6.772 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.645 2.555 7.925 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.058 3.844 6.516 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.302 4.087 5.305 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.393 5.144 8.172 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.001 6.095 6.753 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.694 4.752 7.318 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.356 6.466 7.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.907 6.664 5.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.579 5.703 4.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.092 4.984 5.163 1.00 0.00 H new ATOM 665 N GLU A 43 -8.951 1.963 3.774 1.00 0.00 N ATOM 666 CA GLU A 43 -9.182 2.081 2.318 1.00 0.00 C ATOM 667 C GLU A 43 -9.406 0.708 1.665 1.00 0.00 C ATOM 668 O GLU A 43 -10.415 0.493 0.988 1.00 0.00 O ATOM 669 CB GLU A 43 -7.982 2.804 1.634 1.00 0.00 C ATOM 670 CG GLU A 43 -7.655 4.207 2.195 1.00 0.00 C ATOM 671 CD GLU A 43 -8.845 5.191 2.181 1.00 0.00 C ATOM 672 OE1 GLU A 43 -9.610 5.246 3.173 1.00 0.00 O ATOM 673 OE2 GLU A 43 -9.018 5.926 1.185 1.00 0.00 O ATOM 0 H GLU A 43 -8.039 2.306 4.074 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.087 2.672 2.178 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.097 2.176 1.731 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.193 2.896 0.569 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.298 4.102 3.220 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.838 4.636 1.615 1.00 0.00 H new ATOM 680 N CYS A 44 -8.472 -0.224 1.895 1.00 0.00 N ATOM 681 CA CYS A 44 -8.501 -1.563 1.278 1.00 0.00 C ATOM 682 C CYS A 44 -9.407 -2.527 2.080 1.00 0.00 C ATOM 683 O CYS A 44 -9.667 -3.656 1.632 1.00 0.00 O ATOM 684 CB CYS A 44 -7.075 -2.131 1.233 1.00 0.00 C ATOM 685 SG CYS A 44 -6.383 -2.450 2.869 1.00 0.00 S ATOM 0 H CYS A 44 -7.674 -0.074 2.513 1.00 0.00 H new ATOM 0 HA CYS A 44 -8.904 -1.469 0.270 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.078 -3.058 0.660 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.429 -1.431 0.703 1.00 0.00 H new ATOM 0 HG CYS A 44 -6.025 -1.326 3.415 1.00 0.00 H new ATOM 691 N GLN A 45 -9.834 -2.080 3.294 1.00 0.00 N ATOM 692 CA GLN A 45 -10.689 -2.859 4.228 1.00 0.00 C ATOM 693 C GLN A 45 -9.973 -4.145 4.730 1.00 0.00 C ATOM 694 O GLN A 45 -10.610 -5.051 5.287 1.00 0.00 O ATOM 695 CB GLN A 45 -12.075 -3.179 3.587 1.00 0.00 C ATOM 696 CG GLN A 45 -12.913 -1.931 3.215 1.00 0.00 C ATOM 697 CD GLN A 45 -14.242 -2.274 2.535 1.00 0.00 C ATOM 698 OE1 GLN A 45 -14.330 -2.368 1.309 1.00 0.00 O ATOM 699 NE2 GLN A 45 -15.284 -2.482 3.321 1.00 0.00 N ATOM 0 H GLN A 45 -9.590 -1.157 3.653 1.00 0.00 H new ATOM 0 HA GLN A 45 -10.869 -2.237 5.105 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.917 -3.776 2.689 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -12.649 -3.793 4.281 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -13.113 -1.354 4.118 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -12.328 -1.293 2.552 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -15.185 -2.398 4.333 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -16.188 -2.727 2.916 1.00 0.00 H new ATOM 708 N ALA A 46 -8.637 -4.178 4.572 1.00 0.00 N ATOM 709 CA ALA A 46 -7.794 -5.346 4.892 1.00 0.00 C ATOM 710 C ALA A 46 -6.954 -5.087 6.164 1.00 0.00 C ATOM 711 O ALA A 46 -6.633 -3.926 6.454 1.00 0.00 O ATOM 712 CB ALA A 46 -6.880 -5.661 3.696 1.00 0.00 C ATOM 0 H ALA A 46 -8.105 -3.384 4.214 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.438 -6.204 5.087 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.257 -6.524 3.932 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.490 -5.882 2.820 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.244 -4.800 3.487 1.00 0.00 H new ATOM 718 N PRO A 47 -6.583 -6.162 6.943 1.00 0.00 N ATOM 719 CA PRO A 47 -5.698 -6.024 8.120 1.00 0.00 C ATOM 720 C PRO A 47 -4.302 -5.501 7.722 1.00 0.00 C ATOM 721 O PRO A 47 -3.772 -5.868 6.662 1.00 0.00 O ATOM 722 CB PRO A 47 -5.629 -7.471 8.705 1.00 0.00 C ATOM 723 CG PRO A 47 -6.022 -8.368 7.561 1.00 0.00 C ATOM 724 CD PRO A 47 -7.014 -7.572 6.745 1.00 0.00 C ATOM 0 HA PRO A 47 -6.071 -5.299 8.843 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.627 -7.705 9.065 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.307 -7.588 9.551 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.154 -8.644 6.963 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.467 -9.295 7.924 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -6.986 -7.855 5.693 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -8.036 -7.731 7.091 1.00 0.00 H new ATOM 732 N LYS A 48 -3.758 -4.607 8.565 1.00 0.00 N ATOM 733 CA LYS A 48 -2.378 -4.101 8.458 1.00 0.00 C ATOM 734 C LYS A 48 -1.347 -5.232 8.242 1.00 0.00 C ATOM 735 O LYS A 48 -0.363 -5.017 7.566 1.00 0.00 O ATOM 736 CB LYS A 48 -2.012 -3.267 9.716 1.00 0.00 C ATOM 737 CG LYS A 48 -0.545 -2.772 9.748 1.00 0.00 C ATOM 738 CD LYS A 48 -0.194 -1.964 11.007 1.00 0.00 C ATOM 739 CE LYS A 48 -0.961 -0.638 11.113 1.00 0.00 C ATOM 740 NZ LYS A 48 -0.516 0.143 12.293 1.00 0.00 N ATOM 0 H LYS A 48 -4.272 -4.209 9.351 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.338 -3.462 7.576 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.676 -2.404 9.771 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.199 -3.870 10.604 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.121 -3.632 9.681 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.359 -2.156 8.868 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.405 -2.569 11.889 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.876 -1.758 11.011 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.808 -0.052 10.207 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.030 -0.837 11.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.050 1.034 12.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.685 -0.409 13.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.499 0.352 12.208 1.00 0.00 H new ATOM 754 N ARG A 49 -1.587 -6.411 8.842 1.00 0.00 N ATOM 755 CA ARG A 49 -0.721 -7.593 8.677 1.00 0.00 C ATOM 756 C ARG A 49 -0.668 -8.067 7.198 1.00 0.00 C ATOM 757 O ARG A 49 0.419 -8.299 6.675 1.00 0.00 O ATOM 758 CB ARG A 49 -1.188 -8.731 9.621 1.00 0.00 C ATOM 759 CG ARG A 49 -0.290 -9.994 9.629 1.00 0.00 C ATOM 760 CD ARG A 49 1.154 -9.696 10.077 1.00 0.00 C ATOM 761 NE ARG A 49 1.208 -9.107 11.429 1.00 0.00 N ATOM 762 CZ ARG A 49 2.223 -8.370 11.926 1.00 0.00 C ATOM 763 NH1 ARG A 49 3.299 -8.097 11.205 1.00 0.00 N ATOM 764 NH2 ARG A 49 2.139 -7.891 13.155 1.00 0.00 N ATOM 0 H ARG A 49 -2.386 -6.572 9.455 1.00 0.00 H new ATOM 0 HA ARG A 49 0.295 -7.311 8.952 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.244 -8.339 10.636 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.198 -9.025 9.337 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.725 -10.740 10.294 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.273 -10.429 8.630 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.735 -10.618 10.061 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.620 -9.013 9.366 1.00 0.00 H new ATOM 0 HE ARG A 49 0.409 -9.271 12.041 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.375 -8.446 10.250 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.052 -7.537 11.605 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.311 -8.079 13.720 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.902 -7.333 13.538 1.00 0.00 H new ATOM 778 N GLU A 50 -1.847 -8.183 6.536 1.00 0.00 N ATOM 779 CA GLU A 50 -1.947 -8.598 5.106 1.00 0.00 C ATOM 780 C GLU A 50 -1.240 -7.572 4.203 1.00 0.00 C ATOM 781 O GLU A 50 -0.426 -7.937 3.339 1.00 0.00 O ATOM 782 CB GLU A 50 -3.438 -8.752 4.685 1.00 0.00 C ATOM 783 CG GLU A 50 -3.659 -9.105 3.191 1.00 0.00 C ATOM 784 CD GLU A 50 -5.130 -9.388 2.836 1.00 0.00 C ATOM 785 OE1 GLU A 50 -5.620 -10.499 3.131 1.00 0.00 O ATOM 786 OE2 GLU A 50 -5.812 -8.513 2.263 1.00 0.00 O ATOM 0 H GLU A 50 -2.750 -7.994 6.971 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.455 -9.564 4.991 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.896 -9.528 5.299 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.961 -7.821 4.905 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.297 -8.282 2.574 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.059 -9.980 2.940 1.00 0.00 H new ATOM 793 N LEU A 51 -1.550 -6.282 4.460 1.00 0.00 N ATOM 794 CA LEU A 51 -0.940 -5.124 3.784 1.00 0.00 C ATOM 795 C LEU A 51 0.587 -5.185 3.868 1.00 0.00 C ATOM 796 O LEU A 51 1.253 -5.172 2.853 1.00 0.00 O ATOM 797 CB LEU A 51 -1.455 -3.817 4.448 1.00 0.00 C ATOM 798 CG LEU A 51 -2.900 -3.376 4.058 1.00 0.00 C ATOM 799 CD1 LEU A 51 -3.519 -2.481 5.137 1.00 0.00 C ATOM 800 CD2 LEU A 51 -2.903 -2.657 2.693 1.00 0.00 C ATOM 0 H LEU A 51 -2.245 -6.015 5.157 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.222 -5.141 2.731 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.414 -3.942 5.530 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.769 -3.009 4.194 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.510 -4.276 3.977 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.525 -2.191 4.836 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.566 -3.027 6.080 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.907 -1.588 5.264 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.921 -2.359 2.441 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.268 -1.773 2.746 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.522 -3.331 1.926 1.00 0.00 H new ATOM 812 N ASN A 52 1.091 -5.262 5.109 1.00 0.00 N ATOM 813 CA ASN A 52 2.527 -5.285 5.467 1.00 0.00 C ATOM 814 C ASN A 52 3.309 -6.318 4.635 1.00 0.00 C ATOM 815 O ASN A 52 4.309 -5.970 3.998 1.00 0.00 O ATOM 816 CB ASN A 52 2.648 -5.584 6.986 1.00 0.00 C ATOM 817 CG ASN A 52 4.063 -5.492 7.552 1.00 0.00 C ATOM 818 OD1 ASN A 52 4.785 -6.486 7.633 1.00 0.00 O ATOM 819 ND2 ASN A 52 4.465 -4.297 7.961 1.00 0.00 N ATOM 0 H ASN A 52 0.487 -5.312 5.929 1.00 0.00 H new ATOM 0 HA ASN A 52 2.967 -4.314 5.242 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.010 -4.888 7.530 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.262 -6.585 7.176 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.398 -4.181 8.357 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.842 -3.494 7.880 1.00 0.00 H new ATOM 826 N GLN A 53 2.811 -7.577 4.629 1.00 0.00 N ATOM 827 CA GLN A 53 3.395 -8.693 3.852 1.00 0.00 C ATOM 828 C GLN A 53 3.553 -8.327 2.357 1.00 0.00 C ATOM 829 O GLN A 53 4.623 -8.525 1.767 1.00 0.00 O ATOM 830 CB GLN A 53 2.508 -9.968 3.987 1.00 0.00 C ATOM 831 CG GLN A 53 2.336 -10.506 5.424 1.00 0.00 C ATOM 832 CD GLN A 53 3.662 -10.849 6.101 1.00 0.00 C ATOM 833 OE1 GLN A 53 4.268 -10.014 6.766 1.00 0.00 O ATOM 834 NE2 GLN A 53 4.129 -12.078 5.923 1.00 0.00 N ATOM 0 H GLN A 53 1.988 -7.847 5.167 1.00 0.00 H new ATOM 0 HA GLN A 53 4.386 -8.892 4.260 1.00 0.00 H new ATOM 0 HB2 GLN A 53 1.521 -9.748 3.579 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.939 -10.757 3.371 1.00 0.00 H new ATOM 0 HG2 GLN A 53 1.811 -9.762 6.023 1.00 0.00 H new ATOM 0 HG3 GLN A 53 1.707 -11.396 5.399 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.601 -12.748 5.365 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.016 -12.352 6.345 1.00 0.00 H new ATOM 843 N VAL A 54 2.482 -7.773 1.769 1.00 0.00 N ATOM 844 CA VAL A 54 2.463 -7.386 0.348 1.00 0.00 C ATOM 845 C VAL A 54 3.414 -6.185 0.078 1.00 0.00 C ATOM 846 O VAL A 54 4.175 -6.214 -0.880 1.00 0.00 O ATOM 847 CB VAL A 54 0.990 -7.067 -0.115 1.00 0.00 C ATOM 848 CG1 VAL A 54 0.928 -6.597 -1.588 1.00 0.00 C ATOM 849 CG2 VAL A 54 0.074 -8.302 0.112 1.00 0.00 C ATOM 0 H VAL A 54 1.609 -7.581 2.261 1.00 0.00 H new ATOM 0 HA VAL A 54 2.829 -8.227 -0.240 1.00 0.00 H new ATOM 0 HB VAL A 54 0.627 -6.241 0.496 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.107 -6.390 -1.860 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.523 -5.691 -1.706 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.324 -7.379 -2.236 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.940 -8.067 -0.212 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.453 -9.147 -0.464 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.066 -8.559 1.171 1.00 0.00 H new ATOM 859 N LEU A 55 3.368 -5.160 0.947 1.00 0.00 N ATOM 860 CA LEU A 55 4.147 -3.901 0.837 1.00 0.00 C ATOM 861 C LEU A 55 5.661 -4.107 0.649 1.00 0.00 C ATOM 862 O LEU A 55 6.271 -3.413 -0.182 1.00 0.00 O ATOM 863 CB LEU A 55 3.885 -3.019 2.091 1.00 0.00 C ATOM 864 CG LEU A 55 2.501 -2.302 2.149 1.00 0.00 C ATOM 865 CD1 LEU A 55 2.221 -1.755 3.555 1.00 0.00 C ATOM 866 CD2 LEU A 55 2.411 -1.184 1.090 1.00 0.00 C ATOM 0 H LEU A 55 2.771 -5.180 1.774 1.00 0.00 H new ATOM 0 HA LEU A 55 3.800 -3.405 -0.070 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.984 -3.645 2.978 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.667 -2.261 2.147 1.00 0.00 H new ATOM 0 HG LEU A 55 1.733 -3.041 1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.250 -1.260 3.566 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.218 -2.577 4.271 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.996 -1.039 3.828 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.436 -0.701 1.153 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.193 -0.447 1.272 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.540 -1.613 0.096 1.00 0.00 H new ATOM 878 N TYR A 56 6.284 -5.030 1.425 1.00 0.00 N ATOM 879 CA TYR A 56 7.730 -5.327 1.300 1.00 0.00 C ATOM 880 C TYR A 56 8.059 -5.897 -0.089 1.00 0.00 C ATOM 881 O TYR A 56 9.144 -5.649 -0.623 1.00 0.00 O ATOM 882 CB TYR A 56 8.180 -6.319 2.410 1.00 0.00 C ATOM 883 CG TYR A 56 8.326 -5.693 3.807 1.00 0.00 C ATOM 884 CD1 TYR A 56 9.514 -5.070 4.185 1.00 0.00 C ATOM 885 CD2 TYR A 56 7.291 -5.725 4.741 1.00 0.00 C ATOM 886 CE1 TYR A 56 9.663 -4.507 5.434 1.00 0.00 C ATOM 887 CE2 TYR A 56 7.434 -5.160 5.997 1.00 0.00 C ATOM 888 CZ TYR A 56 8.618 -4.553 6.340 1.00 0.00 C ATOM 889 OH TYR A 56 8.763 -3.989 7.590 1.00 0.00 O ATOM 0 H TYR A 56 5.808 -5.579 2.141 1.00 0.00 H new ATOM 0 HA TYR A 56 8.277 -4.392 1.422 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.458 -7.134 2.465 1.00 0.00 H new ATOM 0 HB3 TYR A 56 9.135 -6.758 2.121 1.00 0.00 H new ATOM 0 HD1 TYR A 56 10.335 -5.028 3.485 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.358 -6.201 4.479 1.00 0.00 H new ATOM 0 HE1 TYR A 56 10.594 -4.031 5.705 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.618 -5.196 6.704 1.00 0.00 H new ATOM 0 HH TYR A 56 7.935 -4.108 8.101 1.00 0.00 H new ATOM 899 N ARG A 57 7.100 -6.645 -0.669 1.00 0.00 N ATOM 900 CA ARG A 57 7.234 -7.214 -2.015 1.00 0.00 C ATOM 901 C ARG A 57 7.159 -6.095 -3.061 1.00 0.00 C ATOM 902 O ARG A 57 8.027 -6.011 -3.924 1.00 0.00 O ATOM 903 CB ARG A 57 6.127 -8.279 -2.280 1.00 0.00 C ATOM 904 CG ARG A 57 6.389 -9.670 -1.677 1.00 0.00 C ATOM 905 CD ARG A 57 7.648 -10.338 -2.279 1.00 0.00 C ATOM 906 NE ARG A 57 7.729 -10.181 -3.753 1.00 0.00 N ATOM 907 CZ ARG A 57 7.295 -11.056 -4.677 1.00 0.00 C ATOM 908 NH1 ARG A 57 6.723 -12.209 -4.336 1.00 0.00 N ATOM 909 NH2 ARG A 57 7.436 -10.765 -5.955 1.00 0.00 N ATOM 0 H ARG A 57 6.214 -6.869 -0.215 1.00 0.00 H new ATOM 0 HA ARG A 57 8.203 -7.709 -2.089 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.183 -7.903 -1.885 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.001 -8.387 -3.357 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.508 -9.580 -0.597 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.523 -10.309 -1.850 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.538 -9.905 -1.822 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.646 -11.399 -2.030 1.00 0.00 H new ATOM 0 HE ARG A 57 8.157 -9.323 -4.100 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.604 -12.448 -3.351 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.403 -12.853 -5.059 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.870 -9.885 -6.233 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.111 -11.420 -6.666 1.00 0.00 H new ATOM 923 N MET A 58 6.126 -5.226 -2.937 1.00 0.00 N ATOM 924 CA MET A 58 5.852 -4.117 -3.886 1.00 0.00 C ATOM 925 C MET A 58 7.053 -3.162 -4.004 1.00 0.00 C ATOM 926 O MET A 58 7.325 -2.628 -5.077 1.00 0.00 O ATOM 927 CB MET A 58 4.606 -3.311 -3.427 1.00 0.00 C ATOM 928 CG MET A 58 3.365 -4.152 -3.144 1.00 0.00 C ATOM 929 SD MET A 58 2.009 -3.197 -2.442 1.00 0.00 S ATOM 930 CE MET A 58 1.635 -2.087 -3.788 1.00 0.00 C ATOM 0 H MET A 58 5.455 -5.275 -2.171 1.00 0.00 H new ATOM 0 HA MET A 58 5.667 -4.564 -4.863 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.863 -2.755 -2.526 1.00 0.00 H new ATOM 0 HB3 MET A 58 4.362 -2.578 -4.196 1.00 0.00 H new ATOM 0 HG2 MET A 58 3.031 -4.619 -4.070 1.00 0.00 H new ATOM 0 HG3 MET A 58 3.628 -4.957 -2.458 1.00 0.00 H new ATOM 0 HE1 MET A 58 1.717 -1.056 -3.443 1.00 0.00 H new ATOM 0 HE2 MET A 58 2.339 -2.254 -4.603 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.620 -2.272 -4.141 1.00 0.00 H new ATOM 940 N LYS A 59 7.748 -2.950 -2.866 1.00 0.00 N ATOM 941 CA LYS A 59 8.967 -2.124 -2.801 1.00 0.00 C ATOM 942 C LYS A 59 10.050 -2.697 -3.736 1.00 0.00 C ATOM 943 O LYS A 59 10.687 -1.959 -4.493 1.00 0.00 O ATOM 944 CB LYS A 59 9.486 -2.048 -1.337 1.00 0.00 C ATOM 945 CG LYS A 59 10.774 -1.199 -1.145 1.00 0.00 C ATOM 946 CD LYS A 59 11.287 -1.176 0.319 1.00 0.00 C ATOM 947 CE LYS A 59 10.305 -0.515 1.300 1.00 0.00 C ATOM 948 NZ LYS A 59 10.806 -0.562 2.702 1.00 0.00 N ATOM 0 H LYS A 59 7.477 -3.348 -1.967 1.00 0.00 H new ATOM 0 HA LYS A 59 8.728 -1.114 -3.133 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.698 -1.634 -0.708 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.679 -3.060 -0.982 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.559 -1.593 -1.791 1.00 0.00 H new ATOM 0 HG3 LYS A 59 10.578 -0.177 -1.469 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.481 -2.198 0.644 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.238 -0.644 0.355 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.142 0.522 1.007 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.340 -1.018 1.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.116 -0.106 3.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.938 -1.552 2.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.715 -0.060 2.763 1.00 0.00 H new ATOM 962 N LYS A 60 10.208 -4.037 -3.695 1.00 0.00 N ATOM 963 CA LYS A 60 11.194 -4.789 -4.500 1.00 0.00 C ATOM 964 C LYS A 60 10.756 -4.911 -5.977 1.00 0.00 C ATOM 965 O LYS A 60 11.596 -5.068 -6.873 1.00 0.00 O ATOM 966 CB LYS A 60 11.380 -6.185 -3.857 1.00 0.00 C ATOM 967 CG LYS A 60 11.818 -6.121 -2.376 1.00 0.00 C ATOM 968 CD LYS A 60 11.883 -7.506 -1.693 1.00 0.00 C ATOM 969 CE LYS A 60 12.193 -7.397 -0.193 1.00 0.00 C ATOM 970 NZ LYS A 60 12.322 -8.730 0.453 1.00 0.00 N ATOM 0 H LYS A 60 9.645 -4.636 -3.092 1.00 0.00 H new ATOM 0 HA LYS A 60 12.142 -4.250 -4.505 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.444 -6.738 -3.928 1.00 0.00 H new ATOM 0 HB3 LYS A 60 12.124 -6.743 -4.425 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.798 -5.648 -2.315 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.123 -5.486 -1.827 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.933 -8.022 -1.830 1.00 0.00 H new ATOM 0 HD3 LYS A 60 12.648 -8.113 -2.178 1.00 0.00 H new ATOM 0 HE2 LYS A 60 13.118 -6.837 -0.055 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.402 -6.832 0.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.531 -8.607 1.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.431 -9.256 0.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.094 -9.261 0.002 1.00 0.00 H new ATOM 984 N GLU A 61 9.425 -4.835 -6.219 1.00 0.00 N ATOM 985 CA GLU A 61 8.857 -4.738 -7.582 1.00 0.00 C ATOM 986 C GLU A 61 9.005 -3.285 -8.118 1.00 0.00 C ATOM 987 O GLU A 61 8.622 -3.000 -9.259 1.00 0.00 O ATOM 988 CB GLU A 61 7.350 -5.148 -7.604 1.00 0.00 C ATOM 989 CG GLU A 61 6.969 -6.446 -6.858 1.00 0.00 C ATOM 990 CD GLU A 61 7.780 -7.689 -7.263 1.00 0.00 C ATOM 991 OE1 GLU A 61 7.431 -8.341 -8.267 1.00 0.00 O ATOM 992 OE2 GLU A 61 8.755 -8.034 -6.565 1.00 0.00 O ATOM 0 H GLU A 61 8.722 -4.839 -5.480 1.00 0.00 H new ATOM 0 HA GLU A 61 9.409 -5.427 -8.221 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.769 -4.329 -7.179 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.041 -5.251 -8.644 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.093 -6.282 -5.788 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.912 -6.649 -7.029 1.00 0.00 H new ATOM 999 N LEU A 62 9.517 -2.377 -7.232 1.00 0.00 N ATOM 1000 CA LEU A 62 9.781 -0.944 -7.520 1.00 0.00 C ATOM 1001 C LEU A 62 8.465 -0.157 -7.727 1.00 0.00 C ATOM 1002 O LEU A 62 8.455 0.956 -8.269 1.00 0.00 O ATOM 1003 CB LEU A 62 10.774 -0.794 -8.713 1.00 0.00 C ATOM 1004 CG LEU A 62 12.190 -1.444 -8.516 1.00 0.00 C ATOM 1005 CD1 LEU A 62 13.024 -1.389 -9.817 1.00 0.00 C ATOM 1006 CD2 LEU A 62 12.949 -0.790 -7.336 1.00 0.00 C ATOM 0 H LEU A 62 9.761 -2.635 -6.276 1.00 0.00 H new ATOM 0 HA LEU A 62 10.264 -0.500 -6.650 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.315 -1.232 -9.599 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.909 0.268 -8.916 1.00 0.00 H new ATOM 0 HG LEU A 62 12.036 -2.495 -8.270 1.00 0.00 H new ATOM 0 HD11 LEU A 62 13.998 -1.847 -9.645 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.503 -1.930 -10.606 1.00 0.00 H new ATOM 0 HD13 LEU A 62 13.160 -0.350 -10.118 1.00 0.00 H new ATOM 0 HD21 LEU A 62 13.925 -1.262 -7.225 1.00 0.00 H new ATOM 0 HD22 LEU A 62 13.080 0.274 -7.533 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.377 -0.921 -6.418 1.00 0.00 H new ATOM 1018 N LYS A 63 7.367 -0.754 -7.230 1.00 0.00 N ATOM 1019 CA LYS A 63 6.009 -0.206 -7.308 1.00 0.00 C ATOM 1020 C LYS A 63 5.760 0.851 -6.223 1.00 0.00 C ATOM 1021 O LYS A 63 4.988 1.785 -6.446 1.00 0.00 O ATOM 1022 CB LYS A 63 4.971 -1.353 -7.154 1.00 0.00 C ATOM 1023 CG LYS A 63 5.018 -2.400 -8.279 1.00 0.00 C ATOM 1024 CD LYS A 63 3.930 -3.498 -8.131 1.00 0.00 C ATOM 1025 CE LYS A 63 3.936 -4.482 -9.309 1.00 0.00 C ATOM 1026 NZ LYS A 63 2.855 -5.486 -9.206 1.00 0.00 N ATOM 0 H LYS A 63 7.405 -1.654 -6.751 1.00 0.00 H new ATOM 0 HA LYS A 63 5.900 0.273 -8.281 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.138 -1.853 -6.200 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.971 -0.921 -7.117 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.893 -1.899 -9.239 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.002 -2.870 -8.290 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.092 -4.045 -7.202 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.949 -3.028 -8.057 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.828 -3.929 -10.242 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.899 -4.991 -9.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.138 -6.354 -9.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.678 -5.704 -8.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.987 -5.107 -9.636 1.00 0.00 H new ATOM 1040 N VAL A 64 6.384 0.673 -5.031 1.00 0.00 N ATOM 1041 CA VAL A 64 6.222 1.607 -3.889 1.00 0.00 C ATOM 1042 C VAL A 64 7.584 1.973 -3.272 1.00 0.00 C ATOM 1043 O VAL A 64 8.591 1.287 -3.486 1.00 0.00 O ATOM 1044 CB VAL A 64 5.265 1.047 -2.754 1.00 0.00 C ATOM 1045 CG1 VAL A 64 3.854 0.749 -3.297 1.00 0.00 C ATOM 1046 CG2 VAL A 64 5.863 -0.182 -2.040 1.00 0.00 C ATOM 0 H VAL A 64 7.006 -0.112 -4.836 1.00 0.00 H new ATOM 0 HA VAL A 64 5.754 2.499 -4.304 1.00 0.00 H new ATOM 0 HB VAL A 64 5.172 1.835 -2.007 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.227 0.367 -2.491 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.416 1.665 -3.695 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.919 0.004 -4.090 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.172 -0.529 -1.272 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.029 -0.979 -2.765 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.811 0.092 -1.578 1.00 0.00 H new ATOM 1056 N SER A 65 7.581 3.072 -2.513 1.00 0.00 N ATOM 1057 CA SER A 65 8.721 3.550 -1.724 1.00 0.00 C ATOM 1058 C SER A 65 8.228 3.890 -0.303 1.00 0.00 C ATOM 1059 O SER A 65 7.107 4.369 -0.140 1.00 0.00 O ATOM 1060 CB SER A 65 9.334 4.799 -2.412 1.00 0.00 C ATOM 1061 OG SER A 65 10.411 5.347 -1.665 1.00 0.00 O ATOM 0 H SER A 65 6.761 3.672 -2.428 1.00 0.00 H new ATOM 0 HA SER A 65 9.492 2.782 -1.658 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.685 4.528 -3.408 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.561 5.557 -2.542 1.00 0.00 H new ATOM 0 HG SER A 65 10.769 6.130 -2.133 1.00 0.00 H new ATOM 1067 N LEU A 66 9.066 3.657 0.717 1.00 0.00 N ATOM 1068 CA LEU A 66 8.720 3.949 2.126 1.00 0.00 C ATOM 1069 C LEU A 66 9.287 5.336 2.475 1.00 0.00 C ATOM 1070 O LEU A 66 10.509 5.496 2.571 1.00 0.00 O ATOM 1071 CB LEU A 66 9.306 2.871 3.088 1.00 0.00 C ATOM 1072 CG LEU A 66 8.970 3.063 4.611 1.00 0.00 C ATOM 1073 CD1 LEU A 66 7.475 2.843 4.890 1.00 0.00 C ATOM 1074 CD2 LEU A 66 9.842 2.167 5.503 1.00 0.00 C ATOM 0 H LEU A 66 9.999 3.263 0.596 1.00 0.00 H new ATOM 0 HA LEU A 66 7.637 3.935 2.246 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.940 1.893 2.774 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.390 2.858 2.973 1.00 0.00 H new ATOM 0 HG LEU A 66 9.203 4.097 4.863 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.279 2.984 5.953 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.888 3.559 4.315 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.196 1.830 4.601 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.580 2.329 6.549 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.674 1.122 5.244 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.893 2.414 5.350 1.00 0.00 H new ATOM 1086 N THR A 67 8.402 6.330 2.637 1.00 0.00 N ATOM 1087 CA THR A 67 8.797 7.731 2.877 1.00 0.00 C ATOM 1088 C THR A 67 9.062 7.986 4.374 1.00 0.00 C ATOM 1089 O THR A 67 10.061 8.614 4.740 1.00 0.00 O ATOM 1090 CB THR A 67 7.683 8.705 2.361 1.00 0.00 C ATOM 1091 OG1 THR A 67 6.416 8.331 2.932 1.00 0.00 O ATOM 1092 CG2 THR A 67 7.586 8.695 0.825 1.00 0.00 C ATOM 0 H THR A 67 7.392 6.189 2.606 1.00 0.00 H new ATOM 0 HA THR A 67 9.720 7.917 2.329 1.00 0.00 H new ATOM 0 HB THR A 67 7.948 9.716 2.671 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.917 9.138 3.178 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.803 9.382 0.505 1.00 0.00 H new ATOM 0 HG22 THR A 67 8.539 9.007 0.398 1.00 0.00 H new ATOM 0 HG23 THR A 67 7.347 7.688 0.482 1.00 0.00 H new ATOM 1100 N SER A 68 8.165 7.477 5.236 1.00 0.00 N ATOM 1101 CA SER A 68 8.199 7.690 6.700 1.00 0.00 C ATOM 1102 C SER A 68 7.946 6.316 7.382 1.00 0.00 C ATOM 1103 O SER A 68 7.430 5.436 6.698 1.00 0.00 O ATOM 1104 CB SER A 68 7.121 8.743 7.078 1.00 0.00 C ATOM 1105 OG SER A 68 7.215 9.897 6.259 1.00 0.00 O ATOM 0 H SER A 68 7.382 6.897 4.934 1.00 0.00 H new ATOM 0 HA SER A 68 9.162 8.073 7.037 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.129 8.303 6.977 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.238 9.027 8.124 1.00 0.00 H new ATOM 0 HG SER A 68 6.523 10.540 6.520 1.00 0.00 H new ATOM 1111 N PRO A 69 8.332 6.105 8.707 1.00 0.00 N ATOM 1112 CA PRO A 69 8.246 4.792 9.431 1.00 0.00 C ATOM 1113 C PRO A 69 7.109 3.829 8.978 1.00 0.00 C ATOM 1114 O PRO A 69 7.383 2.760 8.417 1.00 0.00 O ATOM 1115 CB PRO A 69 8.060 5.254 10.891 1.00 0.00 C ATOM 1116 CG PRO A 69 8.931 6.478 11.000 1.00 0.00 C ATOM 1117 CD PRO A 69 8.919 7.142 9.615 1.00 0.00 C ATOM 0 HA PRO A 69 9.125 4.177 9.239 1.00 0.00 H new ATOM 0 HB2 PRO A 69 7.017 5.486 11.106 1.00 0.00 H new ATOM 0 HB3 PRO A 69 8.367 4.482 11.596 1.00 0.00 H new ATOM 0 HG2 PRO A 69 8.550 7.159 11.761 1.00 0.00 H new ATOM 0 HG3 PRO A 69 9.946 6.208 11.293 1.00 0.00 H new ATOM 0 HD2 PRO A 69 8.320 8.053 9.617 1.00 0.00 H new ATOM 0 HD3 PRO A 69 9.924 7.422 9.300 1.00 0.00 H new ATOM 1125 N ALA A 70 5.845 4.228 9.205 1.00 0.00 N ATOM 1126 CA ALA A 70 4.647 3.463 8.782 1.00 0.00 C ATOM 1127 C ALA A 70 3.814 4.259 7.755 1.00 0.00 C ATOM 1128 O ALA A 70 2.580 4.261 7.806 1.00 0.00 O ATOM 1129 CB ALA A 70 3.812 3.137 10.035 1.00 0.00 C ATOM 0 H ALA A 70 5.619 5.096 9.690 1.00 0.00 H new ATOM 0 HA ALA A 70 4.956 2.539 8.294 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.925 2.574 9.745 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.410 2.542 10.726 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.510 4.064 10.522 1.00 0.00 H new ATOM 1135 N THR A 71 4.503 4.937 6.831 1.00 0.00 N ATOM 1136 CA THR A 71 3.870 5.701 5.736 1.00 0.00 C ATOM 1137 C THR A 71 4.531 5.338 4.395 1.00 0.00 C ATOM 1138 O THR A 71 5.743 5.512 4.219 1.00 0.00 O ATOM 1139 CB THR A 71 3.962 7.233 6.001 1.00 0.00 C ATOM 1140 OG1 THR A 71 3.336 7.533 7.263 1.00 0.00 O ATOM 1141 CG2 THR A 71 3.298 8.079 4.887 1.00 0.00 C ATOM 0 H THR A 71 5.522 4.975 6.817 1.00 0.00 H new ATOM 0 HA THR A 71 2.814 5.435 5.690 1.00 0.00 H new ATOM 0 HB THR A 71 5.020 7.496 6.016 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.393 8.496 7.436 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.394 9.138 5.128 1.00 0.00 H new ATOM 0 HG22 THR A 71 3.789 7.877 3.935 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.242 7.818 4.813 1.00 0.00 H new ATOM 1149 N TRP A 72 3.706 4.871 3.451 1.00 0.00 N ATOM 1150 CA TRP A 72 4.153 4.328 2.161 1.00 0.00 C ATOM 1151 C TRP A 72 3.662 5.254 1.041 1.00 0.00 C ATOM 1152 O TRP A 72 2.642 5.917 1.190 1.00 0.00 O ATOM 1153 CB TRP A 72 3.597 2.887 1.960 1.00 0.00 C ATOM 1154 CG TRP A 72 4.141 1.871 2.952 1.00 0.00 C ATOM 1155 CD1 TRP A 72 3.766 1.699 4.263 1.00 0.00 C ATOM 1156 CD2 TRP A 72 5.153 0.881 2.701 1.00 0.00 C ATOM 1157 NE1 TRP A 72 4.492 0.678 4.833 1.00 0.00 N ATOM 1158 CE2 TRP A 72 5.343 0.159 3.896 1.00 0.00 C ATOM 1159 CE3 TRP A 72 5.913 0.540 1.579 1.00 0.00 C ATOM 1160 CZ2 TRP A 72 6.262 -0.884 3.999 1.00 0.00 C ATOM 1161 CZ3 TRP A 72 6.824 -0.492 1.682 1.00 0.00 C ATOM 1162 CH2 TRP A 72 6.993 -1.194 2.884 1.00 0.00 C ATOM 0 H TRP A 72 2.692 4.859 3.563 1.00 0.00 H new ATOM 0 HA TRP A 72 5.241 4.275 2.140 1.00 0.00 H new ATOM 0 HB2 TRP A 72 2.510 2.913 2.041 1.00 0.00 H new ATOM 0 HB3 TRP A 72 3.833 2.555 0.949 1.00 0.00 H new ATOM 0 HD1 TRP A 72 3.011 2.280 4.772 1.00 0.00 H new ATOM 0 HE1 TRP A 72 4.409 0.360 5.798 1.00 0.00 H new ATOM 0 HE3 TRP A 72 5.790 1.074 0.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 6.392 -1.427 4.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 7.417 -0.764 0.821 1.00 0.00 H new ATOM 0 HH2 TRP A 72 7.715 -1.996 2.931 1.00 0.00 H new ATOM 1173 N CYS A 73 4.398 5.296 -0.066 1.00 0.00 N ATOM 1174 CA CYS A 73 4.053 6.095 -1.258 1.00 0.00 C ATOM 1175 C CYS A 73 4.195 5.228 -2.500 1.00 0.00 C ATOM 1176 O CYS A 73 4.713 4.114 -2.421 1.00 0.00 O ATOM 1177 CB CYS A 73 4.976 7.321 -1.388 1.00 0.00 C ATOM 1178 SG CYS A 73 4.488 8.459 -2.704 1.00 0.00 S ATOM 0 H CYS A 73 5.266 4.771 -0.171 1.00 0.00 H new ATOM 0 HA CYS A 73 3.026 6.445 -1.155 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.987 7.859 -0.440 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.995 6.980 -1.573 1.00 0.00 H new ATOM 0 HG CYS A 73 5.316 9.460 -2.741 1.00 0.00 H new ATOM 1184 N LEU A 74 3.727 5.742 -3.641 1.00 0.00 N ATOM 1185 CA LEU A 74 3.966 5.120 -4.953 1.00 0.00 C ATOM 1186 C LEU A 74 5.474 5.248 -5.302 1.00 0.00 C ATOM 1187 O LEU A 74 6.181 6.093 -4.718 1.00 0.00 O ATOM 1188 CB LEU A 74 3.081 5.816 -6.029 1.00 0.00 C ATOM 1189 CG LEU A 74 2.995 5.108 -7.426 1.00 0.00 C ATOM 1190 CD1 LEU A 74 2.299 3.737 -7.325 1.00 0.00 C ATOM 1191 CD2 LEU A 74 2.306 6.000 -8.467 1.00 0.00 C ATOM 0 H LEU A 74 3.173 6.598 -3.685 1.00 0.00 H new ATOM 0 HA LEU A 74 3.699 4.063 -4.926 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.071 5.911 -5.631 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.460 6.827 -6.181 1.00 0.00 H new ATOM 0 HG LEU A 74 4.018 4.935 -7.762 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.258 3.276 -8.312 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.860 3.093 -6.647 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.286 3.870 -6.944 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.264 5.478 -9.423 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.294 6.232 -8.135 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.870 6.925 -8.584 1.00 0.00 H new ATOM 1203 N GLY A 75 5.960 4.407 -6.237 1.00 0.00 N ATOM 1204 CA GLY A 75 7.370 4.426 -6.672 1.00 0.00 C ATOM 1205 C GLY A 75 7.803 5.787 -7.208 1.00 0.00 C ATOM 1206 O GLY A 75 8.960 6.188 -7.036 1.00 0.00 O ATOM 0 H GLY A 75 5.392 3.702 -6.707 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.009 4.151 -5.833 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.518 3.672 -7.445 1.00 0.00 H new ATOM 1210 N GLY A 76 6.850 6.497 -7.841 1.00 0.00 N ATOM 1211 CA GLY A 76 7.044 7.871 -8.293 1.00 0.00 C ATOM 1212 C GLY A 76 6.289 8.161 -9.579 1.00 0.00 C ATOM 1213 O GLY A 76 5.459 7.347 -10.016 1.00 0.00 O ATOM 0 H GLY A 76 5.924 6.125 -8.050 1.00 0.00 H new ATOM 0 HA2 GLY A 76 6.712 8.558 -7.515 1.00 0.00 H new ATOM 0 HA3 GLY A 76 8.107 8.055 -8.448 1.00 0.00 H new ATOM 1217 N THR A 77 6.549 9.346 -10.164 1.00 0.00 N ATOM 1218 CA THR A 77 6.060 9.710 -11.506 1.00 0.00 C ATOM 1219 C THR A 77 6.741 8.788 -12.547 1.00 0.00 C ATOM 1220 O THR A 77 7.927 8.956 -12.858 1.00 0.00 O ATOM 1221 CB THR A 77 6.302 11.245 -11.811 1.00 0.00 C ATOM 1222 OG1 THR A 77 5.953 11.545 -13.171 1.00 0.00 O ATOM 1223 CG2 THR A 77 7.750 11.706 -11.528 1.00 0.00 C ATOM 0 H THR A 77 7.104 10.077 -9.719 1.00 0.00 H new ATOM 0 HA THR A 77 4.981 9.562 -11.559 1.00 0.00 H new ATOM 0 HB THR A 77 5.656 11.797 -11.128 1.00 0.00 H new ATOM 0 HG1 THR A 77 6.106 12.497 -13.346 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.846 12.767 -11.758 1.00 0.00 H new ATOM 0 HG22 THR A 77 7.986 11.540 -10.477 1.00 0.00 H new ATOM 0 HG23 THR A 77 8.441 11.136 -12.149 1.00 0.00 H new ATOM 1231 N ASP A 78 5.974 7.772 -13.022 1.00 0.00 N ATOM 1232 CA ASP A 78 6.501 6.612 -13.787 1.00 0.00 C ATOM 1233 C ASP A 78 7.558 5.860 -12.923 1.00 0.00 C ATOM 1234 O ASP A 78 8.745 6.192 -12.980 1.00 0.00 O ATOM 1235 CB ASP A 78 7.064 7.060 -15.179 1.00 0.00 C ATOM 1236 CG ASP A 78 7.710 5.927 -16.007 1.00 0.00 C ATOM 1237 OD1 ASP A 78 6.977 5.134 -16.642 1.00 0.00 O ATOM 1238 OD2 ASP A 78 8.954 5.808 -16.009 1.00 0.00 O ATOM 0 H ASP A 78 4.964 7.735 -12.883 1.00 0.00 H new ATOM 0 HA ASP A 78 5.689 5.917 -14.002 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.253 7.499 -15.760 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.804 7.844 -15.021 1.00 0.00 H new ATOM 1243 N PRO A 79 7.119 4.891 -12.036 1.00 0.00 N ATOM 1244 CA PRO A 79 8.017 4.207 -11.070 1.00 0.00 C ATOM 1245 C PRO A 79 9.190 3.459 -11.750 1.00 0.00 C ATOM 1246 O PRO A 79 8.982 2.418 -12.391 1.00 0.00 O ATOM 1247 CB PRO A 79 7.071 3.224 -10.319 1.00 0.00 C ATOM 1248 CG PRO A 79 5.705 3.799 -10.511 1.00 0.00 C ATOM 1249 CD PRO A 79 5.721 4.402 -11.905 1.00 0.00 C ATOM 0 HA PRO A 79 8.512 4.919 -10.409 1.00 0.00 H new ATOM 0 HB2 PRO A 79 7.139 2.216 -10.729 1.00 0.00 H new ATOM 0 HB3 PRO A 79 7.328 3.156 -9.262 1.00 0.00 H new ATOM 0 HG2 PRO A 79 4.938 3.030 -10.423 1.00 0.00 H new ATOM 0 HG3 PRO A 79 5.486 4.555 -9.757 1.00 0.00 H new ATOM 0 HD2 PRO A 79 5.478 3.663 -12.668 1.00 0.00 H new ATOM 0 HD3 PRO A 79 4.998 5.212 -12.004 1.00 0.00 H new ATOM 1257 N GLU A 80 10.399 4.058 -11.632 1.00 0.00 N ATOM 1258 CA GLU A 80 11.680 3.481 -12.089 1.00 0.00 C ATOM 1259 C GLU A 80 11.695 3.261 -13.630 1.00 0.00 C ATOM 1260 O GLU A 80 11.844 4.258 -14.366 1.00 0.00 O ATOM 1261 CB GLU A 80 11.999 2.181 -11.278 1.00 0.00 C ATOM 1262 CG GLU A 80 12.216 2.403 -9.760 1.00 0.00 C ATOM 1263 CD GLU A 80 13.509 3.160 -9.431 1.00 0.00 C ATOM 1264 OE1 GLU A 80 14.603 2.613 -9.695 1.00 0.00 O ATOM 1265 OE2 GLU A 80 13.452 4.300 -8.926 1.00 0.00 O ATOM 1266 OXT GLU A 80 11.558 2.118 -14.103 1.00 0.00 O ATOM 0 H GLU A 80 10.510 4.978 -11.206 1.00 0.00 H new ATOM 0 HA GLU A 80 12.481 4.193 -11.890 1.00 0.00 H new ATOM 0 HB2 GLU A 80 11.181 1.474 -11.415 1.00 0.00 H new ATOM 0 HB3 GLU A 80 12.893 1.719 -11.695 1.00 0.00 H new ATOM 0 HG2 GLU A 80 11.368 2.956 -9.357 1.00 0.00 H new ATOM 0 HG3 GLU A 80 12.233 1.436 -9.258 1.00 0.00 H new TER 1273 GLU A 80