USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 753 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 17 LYS NZ :NH3+ -149:sc= 0.00295 (180deg=0) USER MOD Set 1.2: A 83 GLN : amide:sc= -0.339 K(o=-0.34,f=-2.4!) USER MOD Set 2.1: A 42 CYS SG : rot -68:sc= -2.14! USER MOD Set 2.2: A 43 MET CE :methyl -179:sc= -0.426 (180deg=-0.422) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 31:sc= 0.381 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 40:sc= 0.941 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 TYR OH : rot 130:sc= -2.31! USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -79:sc= 0.726 USER MOD Single : A 37 THR OG1 : rot 180:sc=-0.000232 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.464 K(o=-0.46,f=-2.4) USER MOD Single : A 47 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00482) USER MOD Single : A 48 ASN : amide:sc= -1.61 K(o=-1.6,f=-7.9!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= -0.0503 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 66 ASN : amide:sc= -1.11 X(o=-1.1,f=-0.83) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 69 LYS NZ :NH3+ -159:sc= -0.606 (180deg=-1.22) USER MOD Single : A 72 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.0297) USER MOD Single : A 74 HIS : no HE2:sc= -1.42 K(o=-1.4,f=-3.1!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -163:sc= 1.01 (180deg=0.849) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.064 2.337 26.385 1.00 0.00 N ATOM 2 CA GLY A 1 26.834 2.169 24.962 1.00 0.00 C ATOM 3 C GLY A 1 25.901 3.221 24.397 1.00 0.00 C ATOM 4 O GLY A 1 24.681 3.107 24.515 1.00 0.00 O ATOM 0 H1 GLY A 1 27.708 1.593 26.723 1.00 0.00 H new ATOM 0 H2 GLY A 1 27.490 3.270 26.560 1.00 0.00 H new ATOM 0 H3 GLY A 1 26.159 2.268 26.893 1.00 0.00 H new ATOM 0 HA2 GLY A 1 27.787 2.213 24.435 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.414 1.180 24.779 1.00 0.00 H new ATOM 8 N SER A 2 26.475 4.251 23.783 1.00 0.00 N ATOM 9 CA SER A 2 25.686 5.331 23.202 1.00 0.00 C ATOM 10 C SER A 2 24.811 4.814 22.065 1.00 0.00 C ATOM 11 O SER A 2 25.313 4.337 21.047 1.00 0.00 O ATOM 12 CB SER A 2 26.604 6.443 22.690 1.00 0.00 C ATOM 13 OG SER A 2 27.538 5.940 21.750 1.00 0.00 O ATOM 0 H SER A 2 27.483 4.360 23.675 1.00 0.00 H new ATOM 0 HA SER A 2 25.038 5.734 23.981 1.00 0.00 H new ATOM 0 HB2 SER A 2 26.006 7.229 22.229 1.00 0.00 H new ATOM 0 HB3 SER A 2 27.134 6.896 23.528 1.00 0.00 H new ATOM 0 HG SER A 2 27.139 5.189 21.262 1.00 0.00 H new ATOM 19 N SER A 3 23.498 4.913 22.245 1.00 0.00 N ATOM 20 CA SER A 3 22.550 4.452 21.236 1.00 0.00 C ATOM 21 C SER A 3 22.283 5.543 20.204 1.00 0.00 C ATOM 22 O SER A 3 22.394 6.732 20.497 1.00 0.00 O ATOM 23 CB SER A 3 21.237 4.026 21.896 1.00 0.00 C ATOM 24 OG SER A 3 20.497 3.165 21.048 1.00 0.00 O ATOM 0 H SER A 3 23.066 5.308 23.080 1.00 0.00 H new ATOM 0 HA SER A 3 22.988 3.593 20.727 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.447 3.521 22.839 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.642 4.908 22.133 1.00 0.00 H new ATOM 0 HG SER A 3 19.663 2.905 21.493 1.00 0.00 H new ATOM 30 N GLY A 4 21.930 5.127 18.991 1.00 0.00 N ATOM 31 CA GLY A 4 21.653 6.080 17.932 1.00 0.00 C ATOM 32 C GLY A 4 20.450 6.951 18.236 1.00 0.00 C ATOM 33 O GLY A 4 20.420 7.647 19.250 1.00 0.00 O ATOM 0 H GLY A 4 21.831 4.148 18.723 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.527 6.713 17.780 1.00 0.00 H new ATOM 0 HA3 GLY A 4 21.482 5.543 16.999 1.00 0.00 H new ATOM 37 N SER A 5 19.456 6.913 17.354 1.00 0.00 N ATOM 38 CA SER A 5 18.247 7.708 17.530 1.00 0.00 C ATOM 39 C SER A 5 17.362 7.118 18.624 1.00 0.00 C ATOM 40 O SER A 5 17.470 5.937 18.955 1.00 0.00 O ATOM 41 CB SER A 5 17.468 7.789 16.216 1.00 0.00 C ATOM 42 OG SER A 5 16.976 6.516 15.836 1.00 0.00 O ATOM 0 H SER A 5 19.465 6.340 16.510 1.00 0.00 H new ATOM 0 HA SER A 5 18.544 8.713 17.830 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.637 8.486 16.325 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.113 8.182 15.431 1.00 0.00 H new ATOM 0 HG SER A 5 16.480 6.595 14.994 1.00 0.00 H new ATOM 48 N SER A 6 16.487 7.948 19.181 1.00 0.00 N ATOM 49 CA SER A 6 15.585 7.511 20.241 1.00 0.00 C ATOM 50 C SER A 6 14.200 7.198 19.681 1.00 0.00 C ATOM 51 O SER A 6 13.363 8.088 19.532 1.00 0.00 O ATOM 52 CB SER A 6 15.479 8.584 21.325 1.00 0.00 C ATOM 53 OG SER A 6 14.956 9.791 20.798 1.00 0.00 O ATOM 0 H SER A 6 16.383 8.928 18.916 1.00 0.00 H new ATOM 0 HA SER A 6 15.994 6.601 20.680 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.839 8.228 22.132 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.463 8.768 21.756 1.00 0.00 H new ATOM 0 HG SER A 6 14.235 9.587 20.166 1.00 0.00 H new ATOM 59 N GLY A 7 13.967 5.926 19.371 1.00 0.00 N ATOM 60 CA GLY A 7 12.684 5.518 18.831 1.00 0.00 C ATOM 61 C GLY A 7 12.071 6.573 17.931 1.00 0.00 C ATOM 62 O GLY A 7 10.927 6.980 18.130 1.00 0.00 O ATOM 0 H GLY A 7 14.644 5.171 19.484 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.808 4.593 18.269 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.000 5.303 19.652 1.00 0.00 H new ATOM 66 N TYR A 8 12.835 7.017 16.939 1.00 0.00 N ATOM 67 CA TYR A 8 12.362 8.034 16.007 1.00 0.00 C ATOM 68 C TYR A 8 11.824 7.395 14.730 1.00 0.00 C ATOM 69 O TYR A 8 11.422 8.089 13.796 1.00 0.00 O ATOM 70 CB TYR A 8 13.491 9.008 15.667 1.00 0.00 C ATOM 71 CG TYR A 8 13.208 9.861 14.451 1.00 0.00 C ATOM 72 CD1 TYR A 8 12.535 11.071 14.569 1.00 0.00 C ATOM 73 CD2 TYR A 8 13.614 9.458 13.185 1.00 0.00 C ATOM 74 CE1 TYR A 8 12.274 11.854 13.461 1.00 0.00 C ATOM 75 CE2 TYR A 8 13.358 10.235 12.072 1.00 0.00 C ATOM 76 CZ TYR A 8 12.688 11.432 12.215 1.00 0.00 C ATOM 77 OH TYR A 8 12.430 12.209 11.108 1.00 0.00 O ATOM 0 H TYR A 8 13.784 6.689 16.760 1.00 0.00 H new ATOM 0 HA TYR A 8 11.551 8.582 16.487 1.00 0.00 H new ATOM 0 HB2 TYR A 8 13.669 9.658 16.523 1.00 0.00 H new ATOM 0 HB3 TYR A 8 14.408 8.444 15.499 1.00 0.00 H new ATOM 0 HD1 TYR A 8 12.210 11.405 15.543 1.00 0.00 H new ATOM 0 HD2 TYR A 8 14.139 8.521 13.069 1.00 0.00 H new ATOM 0 HE1 TYR A 8 11.749 12.791 13.570 1.00 0.00 H new ATOM 0 HE2 TYR A 8 13.681 9.907 11.095 1.00 0.00 H new ATOM 0 HH TYR A 8 12.789 11.769 10.309 1.00 0.00 H new ATOM 87 N LEU A 9 11.819 6.067 14.698 1.00 0.00 N ATOM 88 CA LEU A 9 11.330 5.332 13.537 1.00 0.00 C ATOM 89 C LEU A 9 9.826 5.098 13.634 1.00 0.00 C ATOM 90 O LEU A 9 9.378 4.048 14.094 1.00 0.00 O ATOM 91 CB LEU A 9 12.059 3.992 13.412 1.00 0.00 C ATOM 92 CG LEU A 9 13.409 4.027 12.696 1.00 0.00 C ATOM 93 CD1 LEU A 9 13.236 4.476 11.253 1.00 0.00 C ATOM 94 CD2 LEU A 9 14.378 4.942 13.429 1.00 0.00 C ATOM 0 H LEU A 9 12.148 5.477 15.463 1.00 0.00 H new ATOM 0 HA LEU A 9 11.529 5.931 12.649 1.00 0.00 H new ATOM 0 HB2 LEU A 9 12.212 3.589 14.413 1.00 0.00 H new ATOM 0 HB3 LEU A 9 11.408 3.295 12.884 1.00 0.00 H new ATOM 0 HG LEU A 9 13.824 3.019 12.694 1.00 0.00 H new ATOM 0 HD11 LEU A 9 14.207 4.495 10.759 1.00 0.00 H new ATOM 0 HD12 LEU A 9 12.577 3.781 10.732 1.00 0.00 H new ATOM 0 HD13 LEU A 9 12.799 5.474 11.232 1.00 0.00 H new ATOM 0 HD21 LEU A 9 15.334 4.955 12.905 1.00 0.00 H new ATOM 0 HD22 LEU A 9 13.970 5.952 13.463 1.00 0.00 H new ATOM 0 HD23 LEU A 9 14.526 4.576 14.445 1.00 0.00 H new ATOM 106 N LYS A 10 9.050 6.083 13.195 1.00 0.00 N ATOM 107 CA LYS A 10 7.595 5.985 13.229 1.00 0.00 C ATOM 108 C LYS A 10 7.122 4.696 12.567 1.00 0.00 C ATOM 109 O LYS A 10 7.882 4.032 11.861 1.00 0.00 O ATOM 110 CB LYS A 10 6.966 7.192 12.529 1.00 0.00 C ATOM 111 CG LYS A 10 5.602 7.570 13.078 1.00 0.00 C ATOM 112 CD LYS A 10 5.129 8.906 12.527 1.00 0.00 C ATOM 113 CE LYS A 10 5.859 10.068 13.182 1.00 0.00 C ATOM 114 NZ LYS A 10 5.883 11.272 12.306 1.00 0.00 N ATOM 0 H LYS A 10 9.404 6.959 12.811 1.00 0.00 H new ATOM 0 HA LYS A 10 7.280 5.973 14.272 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.636 8.046 12.624 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.873 6.976 11.465 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.879 6.795 12.825 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.648 7.620 14.166 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.291 8.934 11.449 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.056 9.010 12.691 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.374 10.316 14.126 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.881 9.769 13.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.389 12.042 12.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.368 11.043 11.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 4.908 11.573 12.102 1.00 0.00 H new ATOM 128 N LEU A 11 5.861 4.346 12.798 1.00 0.00 N ATOM 129 CA LEU A 11 5.285 3.136 12.222 1.00 0.00 C ATOM 130 C LEU A 11 4.116 3.473 11.302 1.00 0.00 C ATOM 131 O LEU A 11 3.308 4.352 11.603 1.00 0.00 O ATOM 132 CB LEU A 11 4.819 2.191 13.331 1.00 0.00 C ATOM 133 CG LEU A 11 5.913 1.637 14.245 1.00 0.00 C ATOM 134 CD1 LEU A 11 5.319 0.686 15.272 1.00 0.00 C ATOM 135 CD2 LEU A 11 6.988 0.938 13.426 1.00 0.00 C ATOM 0 H LEU A 11 5.218 4.883 13.380 1.00 0.00 H new ATOM 0 HA LEU A 11 6.057 2.642 11.632 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.091 2.718 13.948 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.299 1.351 12.870 1.00 0.00 H new ATOM 0 HG LEU A 11 6.374 2.470 14.776 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.112 0.302 15.913 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.587 1.218 15.879 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.832 -0.144 14.760 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.758 0.550 14.092 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.542 0.114 12.868 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.434 1.648 12.730 1.00 0.00 H new ATOM 147 N VAL A 12 4.032 2.768 10.178 1.00 0.00 N ATOM 148 CA VAL A 12 2.960 2.991 9.215 1.00 0.00 C ATOM 149 C VAL A 12 2.236 1.690 8.888 1.00 0.00 C ATOM 150 O VAL A 12 2.727 0.872 8.109 1.00 0.00 O ATOM 151 CB VAL A 12 3.497 3.608 7.910 1.00 0.00 C ATOM 152 CG1 VAL A 12 2.360 3.869 6.934 1.00 0.00 C ATOM 153 CG2 VAL A 12 4.264 4.889 8.203 1.00 0.00 C ATOM 0 H VAL A 12 4.693 2.038 9.912 1.00 0.00 H new ATOM 0 HA VAL A 12 2.260 3.687 9.677 1.00 0.00 H new ATOM 0 HB VAL A 12 4.183 2.898 7.449 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.759 4.305 6.018 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.858 2.930 6.700 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.646 4.559 7.383 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.636 5.312 7.270 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.602 5.607 8.688 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.104 4.668 8.862 1.00 0.00 H new ATOM 163 N ARG A 13 1.065 1.504 9.488 1.00 0.00 N ATOM 164 CA ARG A 13 0.272 0.301 9.261 1.00 0.00 C ATOM 165 C ARG A 13 -0.595 0.449 8.015 1.00 0.00 C ATOM 166 O ARG A 13 -1.187 1.502 7.780 1.00 0.00 O ATOM 167 CB ARG A 13 -0.609 0.009 10.477 1.00 0.00 C ATOM 168 CG ARG A 13 0.061 -0.875 11.516 1.00 0.00 C ATOM 169 CD ARG A 13 1.027 -0.082 12.383 1.00 0.00 C ATOM 170 NE ARG A 13 0.338 0.653 13.439 1.00 0.00 N ATOM 171 CZ ARG A 13 0.934 1.078 14.548 1.00 0.00 C ATOM 172 NH1 ARG A 13 2.223 0.841 14.744 1.00 0.00 N ATOM 173 NH2 ARG A 13 0.239 1.741 15.464 1.00 0.00 N ATOM 0 H ARG A 13 0.644 2.171 10.135 1.00 0.00 H new ATOM 0 HA ARG A 13 0.957 -0.533 9.109 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.894 0.952 10.944 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.528 -0.471 10.142 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.699 -1.338 12.146 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.597 -1.682 11.017 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.754 -0.760 12.829 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.584 0.617 11.759 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.655 0.851 13.319 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.760 0.331 14.043 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.678 1.168 15.596 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.754 1.925 15.317 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.697 2.067 16.315 1.00 0.00 H new ATOM 187 N ILE A 14 -0.665 -0.614 7.220 1.00 0.00 N ATOM 188 CA ILE A 14 -1.460 -0.602 5.998 1.00 0.00 C ATOM 189 C ILE A 14 -2.381 -1.816 5.930 1.00 0.00 C ATOM 190 O ILE A 14 -1.921 -2.958 5.932 1.00 0.00 O ATOM 191 CB ILE A 14 -0.565 -0.580 4.744 1.00 0.00 C ATOM 192 CG1 ILE A 14 0.500 0.511 4.871 1.00 0.00 C ATOM 193 CG2 ILE A 14 -1.408 -0.363 3.497 1.00 0.00 C ATOM 194 CD1 ILE A 14 -0.067 1.913 4.866 1.00 0.00 C ATOM 0 H ILE A 14 -0.181 -1.494 7.400 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.061 0.307 6.021 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.062 -1.543 4.656 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.058 0.357 5.795 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.210 0.412 4.050 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.762 -0.350 2.619 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.133 -1.172 3.402 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.934 0.588 3.575 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.745 2.634 4.959 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.601 2.086 3.932 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.755 2.030 5.704 1.00 0.00 H new ATOM 206 N TYR A 15 -3.683 -1.561 5.869 1.00 0.00 N ATOM 207 CA TYR A 15 -4.669 -2.632 5.801 1.00 0.00 C ATOM 208 C TYR A 15 -5.021 -2.958 4.353 1.00 0.00 C ATOM 209 O TYR A 15 -5.832 -2.273 3.728 1.00 0.00 O ATOM 210 CB TYR A 15 -5.933 -2.239 6.568 1.00 0.00 C ATOM 211 CG TYR A 15 -5.688 -1.950 8.032 1.00 0.00 C ATOM 212 CD1 TYR A 15 -5.395 -2.976 8.923 1.00 0.00 C ATOM 213 CD2 TYR A 15 -5.750 -0.653 8.524 1.00 0.00 C ATOM 214 CE1 TYR A 15 -5.171 -2.717 10.261 1.00 0.00 C ATOM 215 CE2 TYR A 15 -5.526 -0.384 9.861 1.00 0.00 C ATOM 216 CZ TYR A 15 -5.237 -1.419 10.725 1.00 0.00 C ATOM 217 OH TYR A 15 -5.014 -1.156 12.057 1.00 0.00 O ATOM 0 H TYR A 15 -4.080 -0.621 5.865 1.00 0.00 H new ATOM 0 HA TYR A 15 -4.235 -3.521 6.259 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -6.372 -1.357 6.101 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.664 -3.043 6.482 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.342 -3.993 8.563 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.977 0.160 7.850 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -4.945 -3.526 10.940 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.577 0.631 10.227 1.00 0.00 H new ATOM 0 HH TYR A 15 -5.097 -0.193 12.219 1.00 0.00 H new ATOM 227 N THR A 16 -4.404 -4.010 3.823 1.00 0.00 N ATOM 228 CA THR A 16 -4.650 -4.428 2.449 1.00 0.00 C ATOM 229 C THR A 16 -6.134 -4.681 2.208 1.00 0.00 C ATOM 230 O THR A 16 -6.859 -5.092 3.114 1.00 0.00 O ATOM 231 CB THR A 16 -3.860 -5.704 2.100 1.00 0.00 C ATOM 232 OG1 THR A 16 -4.010 -6.009 0.709 1.00 0.00 O ATOM 233 CG2 THR A 16 -4.337 -6.881 2.937 1.00 0.00 C ATOM 0 H THR A 16 -3.730 -4.588 4.325 1.00 0.00 H new ATOM 0 HA THR A 16 -4.314 -3.614 1.806 1.00 0.00 H new ATOM 0 HB THR A 16 -2.808 -5.525 2.320 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.503 -6.820 0.496 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.765 -7.771 2.673 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.194 -6.658 3.994 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.395 -7.060 2.744 1.00 0.00 H new ATOM 241 N LYS A 17 -6.579 -4.435 0.981 1.00 0.00 N ATOM 242 CA LYS A 17 -7.977 -4.638 0.619 1.00 0.00 C ATOM 243 C LYS A 17 -8.096 -5.521 -0.618 1.00 0.00 C ATOM 244 O LYS A 17 -8.056 -5.048 -1.755 1.00 0.00 O ATOM 245 CB LYS A 17 -8.660 -3.292 0.366 1.00 0.00 C ATOM 246 CG LYS A 17 -10.142 -3.289 0.701 1.00 0.00 C ATOM 247 CD LYS A 17 -10.824 -2.027 0.202 1.00 0.00 C ATOM 248 CE LYS A 17 -12.339 -2.152 0.259 1.00 0.00 C ATOM 249 NZ LYS A 17 -12.894 -2.750 -0.986 1.00 0.00 N ATOM 0 H LYS A 17 -5.992 -4.095 0.220 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.473 -5.139 1.450 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.161 -2.524 0.957 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.532 -3.021 -0.682 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.619 -4.162 0.255 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.272 -3.372 1.780 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.505 -1.177 0.805 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.513 -1.825 -0.823 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.621 -2.767 1.114 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.779 -1.167 0.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.845 -2.367 -1.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.274 -2.518 -1.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.951 -3.783 -0.880 1.00 0.00 H new ATOM 263 N PRO A 18 -8.247 -6.836 -0.396 1.00 0.00 N ATOM 264 CA PRO A 18 -8.377 -7.812 -1.482 1.00 0.00 C ATOM 265 C PRO A 18 -9.705 -7.685 -2.220 1.00 0.00 C ATOM 266 O PRO A 18 -10.745 -7.433 -1.611 1.00 0.00 O ATOM 267 CB PRO A 18 -8.294 -9.159 -0.759 1.00 0.00 C ATOM 268 CG PRO A 18 -8.751 -8.872 0.630 1.00 0.00 C ATOM 269 CD PRO A 18 -8.303 -7.469 0.932 1.00 0.00 C ATOM 0 HA PRO A 18 -7.613 -7.675 -2.247 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.928 -9.905 -1.238 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.277 -9.551 -0.768 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.834 -8.962 0.711 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.319 -9.580 1.337 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -9.003 -6.957 1.592 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.331 -7.455 1.425 1.00 0.00 H new ATOM 277 N LYS A 19 -9.664 -7.860 -3.537 1.00 0.00 N ATOM 278 CA LYS A 19 -10.864 -7.767 -4.359 1.00 0.00 C ATOM 279 C LYS A 19 -11.884 -8.826 -3.955 1.00 0.00 C ATOM 280 O LYS A 19 -11.555 -10.005 -3.834 1.00 0.00 O ATOM 281 CB LYS A 19 -10.507 -7.926 -5.839 1.00 0.00 C ATOM 282 CG LYS A 19 -9.801 -9.232 -6.157 1.00 0.00 C ATOM 283 CD LYS A 19 -9.261 -9.242 -7.578 1.00 0.00 C ATOM 284 CE LYS A 19 -8.979 -10.658 -8.057 1.00 0.00 C ATOM 285 NZ LYS A 19 -8.542 -10.685 -9.480 1.00 0.00 N ATOM 0 H LYS A 19 -8.812 -8.067 -4.058 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.306 -6.783 -4.202 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -11.419 -7.861 -6.433 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.870 -7.095 -6.142 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.982 -9.384 -5.454 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -10.494 -10.063 -6.024 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.981 -8.768 -8.245 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.346 -8.652 -7.625 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.207 -11.106 -7.431 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.876 -11.266 -7.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.360 -11.667 -9.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.289 -10.281 -10.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.672 -10.126 -9.587 1.00 0.00 H new ATOM 299 N GLY A 20 -13.126 -8.398 -3.750 1.00 0.00 N ATOM 300 CA GLY A 20 -14.176 -9.323 -3.364 1.00 0.00 C ATOM 301 C GLY A 20 -14.286 -9.479 -1.860 1.00 0.00 C ATOM 302 O GLY A 20 -15.385 -9.452 -1.307 1.00 0.00 O ATOM 0 H GLY A 20 -13.424 -7.427 -3.844 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -15.129 -8.973 -3.761 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -13.982 -10.297 -3.814 1.00 0.00 H new ATOM 306 N GLN A 21 -13.145 -9.645 -1.199 1.00 0.00 N ATOM 307 CA GLN A 21 -13.120 -9.809 0.250 1.00 0.00 C ATOM 308 C GLN A 21 -12.814 -8.485 0.942 1.00 0.00 C ATOM 309 O GLN A 21 -12.351 -7.534 0.310 1.00 0.00 O ATOM 310 CB GLN A 21 -12.080 -10.858 0.647 1.00 0.00 C ATOM 311 CG GLN A 21 -12.331 -12.226 0.035 1.00 0.00 C ATOM 312 CD GLN A 21 -11.291 -13.249 0.447 1.00 0.00 C ATOM 313 OE1 GLN A 21 -11.571 -14.153 1.236 1.00 0.00 O ATOM 314 NE2 GLN A 21 -10.083 -13.114 -0.086 1.00 0.00 N ATOM 0 H GLN A 21 -12.227 -9.669 -1.643 1.00 0.00 H new ATOM 0 HA GLN A 21 -14.106 -10.146 0.570 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -11.092 -10.510 0.345 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -12.067 -10.952 1.733 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -13.319 -12.577 0.333 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -12.338 -12.138 -1.051 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.895 -12.350 -0.735 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -9.343 -13.774 0.154 1.00 0.00 H new ATOM 323 N LEU A 22 -13.077 -8.428 2.243 1.00 0.00 N ATOM 324 CA LEU A 22 -12.830 -7.220 3.022 1.00 0.00 C ATOM 325 C LEU A 22 -11.379 -7.160 3.490 1.00 0.00 C ATOM 326 O LEU A 22 -10.712 -8.181 3.654 1.00 0.00 O ATOM 327 CB LEU A 22 -13.769 -7.166 4.228 1.00 0.00 C ATOM 328 CG LEU A 22 -13.240 -7.793 5.519 1.00 0.00 C ATOM 329 CD1 LEU A 22 -12.363 -6.804 6.271 1.00 0.00 C ATOM 330 CD2 LEU A 22 -14.393 -8.261 6.396 1.00 0.00 C ATOM 0 H LEU A 22 -13.461 -9.205 2.781 1.00 0.00 H new ATOM 0 HA LEU A 22 -13.021 -6.359 2.381 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -14.012 -6.122 4.428 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -14.701 -7.665 3.961 1.00 0.00 H new ATOM 0 HG LEU A 22 -12.633 -8.660 5.258 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -11.995 -7.267 7.187 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.518 -6.518 5.645 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -12.946 -5.918 6.521 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -13.998 -8.704 7.310 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -15.026 -7.411 6.649 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -14.982 -9.004 5.857 1.00 0.00 H new ATOM 342 N PRO A 23 -10.879 -5.936 3.712 1.00 0.00 N ATOM 343 CA PRO A 23 -9.503 -5.713 4.167 1.00 0.00 C ATOM 344 C PRO A 23 -9.288 -6.169 5.605 1.00 0.00 C ATOM 345 O PRO A 23 -9.886 -5.628 6.535 1.00 0.00 O ATOM 346 CB PRO A 23 -9.334 -4.196 4.055 1.00 0.00 C ATOM 347 CG PRO A 23 -10.716 -3.651 4.170 1.00 0.00 C ATOM 348 CD PRO A 23 -11.618 -4.674 3.537 1.00 0.00 C ATOM 0 HA PRO A 23 -8.782 -6.280 3.579 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.689 -3.810 4.845 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -8.876 -3.918 3.106 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -10.985 -3.486 5.213 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.800 -2.690 3.663 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.592 -4.708 4.025 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.797 -4.456 2.484 1.00 0.00 H new ATOM 356 N ASP A 24 -8.429 -7.167 5.782 1.00 0.00 N ATOM 357 CA ASP A 24 -8.133 -7.695 7.109 1.00 0.00 C ATOM 358 C ASP A 24 -7.519 -6.618 7.998 1.00 0.00 C ATOM 359 O ASP A 24 -6.798 -5.741 7.521 1.00 0.00 O ATOM 360 CB ASP A 24 -7.184 -8.891 7.006 1.00 0.00 C ATOM 361 CG ASP A 24 -6.166 -8.727 5.894 1.00 0.00 C ATOM 362 OD1 ASP A 24 -5.425 -7.721 5.911 1.00 0.00 O ATOM 363 OD2 ASP A 24 -6.109 -9.605 5.008 1.00 0.00 O ATOM 0 H ASP A 24 -7.925 -7.627 5.023 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.070 -8.022 7.560 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.664 -9.021 7.955 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.764 -9.798 6.833 1.00 0.00 H new ATOM 368 N TYR A 25 -7.810 -6.690 9.292 1.00 0.00 N ATOM 369 CA TYR A 25 -7.290 -5.719 10.247 1.00 0.00 C ATOM 370 C TYR A 25 -6.619 -6.419 11.425 1.00 0.00 C ATOM 371 O TYR A 25 -6.496 -5.854 12.512 1.00 0.00 O ATOM 372 CB TYR A 25 -8.416 -4.815 10.752 1.00 0.00 C ATOM 373 CG TYR A 25 -8.951 -3.871 9.699 1.00 0.00 C ATOM 374 CD1 TYR A 25 -9.950 -4.272 8.820 1.00 0.00 C ATOM 375 CD2 TYR A 25 -8.459 -2.576 9.584 1.00 0.00 C ATOM 376 CE1 TYR A 25 -10.441 -3.413 7.857 1.00 0.00 C ATOM 377 CE2 TYR A 25 -8.946 -1.710 8.624 1.00 0.00 C ATOM 378 CZ TYR A 25 -9.937 -2.133 7.763 1.00 0.00 C ATOM 379 OH TYR A 25 -10.425 -1.274 6.805 1.00 0.00 O ATOM 0 H TYR A 25 -8.403 -7.411 9.704 1.00 0.00 H new ATOM 0 HA TYR A 25 -6.544 -5.109 9.736 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.232 -5.436 11.120 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -8.052 -4.233 11.599 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -10.349 -5.273 8.891 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.683 -2.241 10.256 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -11.216 -3.742 7.181 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -8.553 -0.707 8.548 1.00 0.00 H new ATOM 0 HH TYR A 25 -10.663 -0.420 7.222 1.00 0.00 H new ATOM 389 N THR A 26 -6.185 -7.656 11.201 1.00 0.00 N ATOM 390 CA THR A 26 -5.526 -8.435 12.241 1.00 0.00 C ATOM 391 C THR A 26 -4.042 -8.610 11.942 1.00 0.00 C ATOM 392 O THR A 26 -3.202 -8.501 12.834 1.00 0.00 O ATOM 393 CB THR A 26 -6.174 -9.824 12.398 1.00 0.00 C ATOM 394 OG1 THR A 26 -6.159 -10.515 11.144 1.00 0.00 O ATOM 395 CG2 THR A 26 -7.606 -9.701 12.897 1.00 0.00 C ATOM 0 H THR A 26 -6.279 -8.139 10.308 1.00 0.00 H new ATOM 0 HA THR A 26 -5.642 -7.880 13.172 1.00 0.00 H new ATOM 0 HB THR A 26 -5.598 -10.388 13.131 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.571 -11.398 11.252 1.00 0.00 H new ATOM 0 HG21 THR A 26 -8.042 -10.695 13.000 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.612 -9.200 13.865 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.191 -9.120 12.184 1.00 0.00 H new ATOM 403 N SER A 27 -3.726 -8.881 10.679 1.00 0.00 N ATOM 404 CA SER A 27 -2.342 -9.074 10.262 1.00 0.00 C ATOM 405 C SER A 27 -1.934 -8.026 9.231 1.00 0.00 C ATOM 406 O SER A 27 -1.552 -8.343 8.104 1.00 0.00 O ATOM 407 CB SER A 27 -2.153 -10.477 9.683 1.00 0.00 C ATOM 408 OG SER A 27 -0.779 -10.772 9.501 1.00 0.00 O ATOM 0 H SER A 27 -4.410 -8.972 9.927 1.00 0.00 H new ATOM 0 HA SER A 27 -1.705 -8.962 11.139 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.601 -11.213 10.351 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.674 -10.553 8.729 1.00 0.00 H new ATOM 0 HG SER A 27 -0.684 -11.675 9.131 1.00 0.00 H new ATOM 414 N PRO A 28 -2.017 -6.746 9.625 1.00 0.00 N ATOM 415 CA PRO A 28 -1.661 -5.625 8.750 1.00 0.00 C ATOM 416 C PRO A 28 -0.161 -5.549 8.487 1.00 0.00 C ATOM 417 O PRO A 28 0.632 -6.204 9.163 1.00 0.00 O ATOM 418 CB PRO A 28 -2.129 -4.398 9.538 1.00 0.00 C ATOM 419 CG PRO A 28 -2.111 -4.834 10.963 1.00 0.00 C ATOM 420 CD PRO A 28 -2.465 -6.296 10.953 1.00 0.00 C ATOM 0 HA PRO A 28 -2.118 -5.716 7.765 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.467 -3.547 9.376 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.128 -4.088 9.231 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.129 -4.673 11.408 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.826 -4.263 11.555 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -1.959 -6.837 11.753 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -3.535 -6.451 11.090 1.00 0.00 H new ATOM 428 N VAL A 29 0.222 -4.745 7.500 1.00 0.00 N ATOM 429 CA VAL A 29 1.628 -4.582 7.149 1.00 0.00 C ATOM 430 C VAL A 29 2.152 -3.222 7.596 1.00 0.00 C ATOM 431 O VAL A 29 1.865 -2.199 6.974 1.00 0.00 O ATOM 432 CB VAL A 29 1.848 -4.731 5.632 1.00 0.00 C ATOM 433 CG1 VAL A 29 1.069 -3.668 4.872 1.00 0.00 C ATOM 434 CG2 VAL A 29 3.330 -4.658 5.299 1.00 0.00 C ATOM 0 H VAL A 29 -0.422 -4.197 6.929 1.00 0.00 H new ATOM 0 HA VAL A 29 2.177 -5.368 7.668 1.00 0.00 H new ATOM 0 HB VAL A 29 1.478 -5.709 5.323 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.237 -3.789 3.802 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.006 -3.773 5.087 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.406 -2.679 5.182 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.467 -4.765 4.223 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.728 -3.696 5.621 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.859 -5.460 5.814 1.00 0.00 H new ATOM 444 N VAL A 30 2.923 -3.218 8.678 1.00 0.00 N ATOM 445 CA VAL A 30 3.490 -1.983 9.208 1.00 0.00 C ATOM 446 C VAL A 30 4.882 -1.730 8.642 1.00 0.00 C ATOM 447 O VAL A 30 5.866 -2.312 9.100 1.00 0.00 O ATOM 448 CB VAL A 30 3.572 -2.018 10.746 1.00 0.00 C ATOM 449 CG1 VAL A 30 3.952 -3.410 11.229 1.00 0.00 C ATOM 450 CG2 VAL A 30 4.564 -0.981 11.250 1.00 0.00 C ATOM 0 H VAL A 30 3.170 -4.056 9.205 1.00 0.00 H new ATOM 0 HA VAL A 30 2.825 -1.174 8.905 1.00 0.00 H new ATOM 0 HB VAL A 30 2.590 -1.775 11.151 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.005 -3.415 12.318 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.201 -4.127 10.899 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.923 -3.686 10.817 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.609 -1.020 12.338 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.551 -1.191 10.838 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.244 0.012 10.935 1.00 0.00 H new ATOM 460 N LEU A 31 4.959 -0.857 7.644 1.00 0.00 N ATOM 461 CA LEU A 31 6.232 -0.525 7.013 1.00 0.00 C ATOM 462 C LEU A 31 6.941 0.592 7.773 1.00 0.00 C ATOM 463 O LEU A 31 6.314 1.432 8.420 1.00 0.00 O ATOM 464 CB LEU A 31 6.010 -0.106 5.559 1.00 0.00 C ATOM 465 CG LEU A 31 5.103 -1.016 4.730 1.00 0.00 C ATOM 466 CD1 LEU A 31 4.593 -0.283 3.498 1.00 0.00 C ATOM 467 CD2 LEU A 31 5.843 -2.284 4.329 1.00 0.00 C ATOM 0 H LEU A 31 4.155 -0.366 7.254 1.00 0.00 H new ATOM 0 HA LEU A 31 6.863 -1.413 7.036 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.588 0.899 5.552 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.981 -0.047 5.066 1.00 0.00 H new ATOM 0 HG LEU A 31 4.246 -1.297 5.342 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.949 -0.946 2.920 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.026 0.595 3.806 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.438 0.028 2.884 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.182 -2.920 3.740 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.719 -2.022 3.736 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.159 -2.820 5.224 1.00 0.00 H new ATOM 479 N PRO A 32 8.280 0.605 7.694 1.00 0.00 N ATOM 480 CA PRO A 32 9.103 1.615 8.365 1.00 0.00 C ATOM 481 C PRO A 32 8.954 2.996 7.736 1.00 0.00 C ATOM 482 O PRO A 32 9.220 3.179 6.548 1.00 0.00 O ATOM 483 CB PRO A 32 10.529 1.092 8.177 1.00 0.00 C ATOM 484 CG PRO A 32 10.465 0.250 6.950 1.00 0.00 C ATOM 485 CD PRO A 32 9.093 -0.365 6.941 1.00 0.00 C ATOM 0 HA PRO A 32 8.817 1.747 9.408 1.00 0.00 H new ATOM 0 HB2 PRO A 32 11.239 1.911 8.059 1.00 0.00 H new ATOM 0 HB3 PRO A 32 10.854 0.511 9.040 1.00 0.00 H new ATOM 0 HG2 PRO A 32 10.629 0.851 6.055 1.00 0.00 H new ATOM 0 HG3 PRO A 32 11.237 -0.519 6.964 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.720 -0.500 5.926 1.00 0.00 H new ATOM 0 HD3 PRO A 32 9.089 -1.346 7.415 1.00 0.00 H new ATOM 493 N TYR A 33 8.528 3.964 8.540 1.00 0.00 N ATOM 494 CA TYR A 33 8.343 5.329 8.061 1.00 0.00 C ATOM 495 C TYR A 33 9.378 5.678 6.996 1.00 0.00 C ATOM 496 O TYR A 33 9.038 5.919 5.838 1.00 0.00 O ATOM 497 CB TYR A 33 8.437 6.317 9.224 1.00 0.00 C ATOM 498 CG TYR A 33 7.706 7.617 8.975 1.00 0.00 C ATOM 499 CD1 TYR A 33 6.361 7.752 9.298 1.00 0.00 C ATOM 500 CD2 TYR A 33 8.358 8.708 8.416 1.00 0.00 C ATOM 501 CE1 TYR A 33 5.688 8.938 9.072 1.00 0.00 C ATOM 502 CE2 TYR A 33 7.694 9.898 8.188 1.00 0.00 C ATOM 503 CZ TYR A 33 6.359 10.008 8.518 1.00 0.00 C ATOM 504 OH TYR A 33 5.693 11.190 8.291 1.00 0.00 O ATOM 0 H TYR A 33 8.304 3.829 9.526 1.00 0.00 H new ATOM 0 HA TYR A 33 7.351 5.399 7.614 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.032 5.849 10.121 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.487 6.533 9.423 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.833 6.916 9.733 1.00 0.00 H new ATOM 0 HD2 TYR A 33 9.403 8.625 8.155 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.642 9.026 9.328 1.00 0.00 H new ATOM 0 HE2 TYR A 33 8.217 10.737 7.754 1.00 0.00 H new ATOM 0 HH TYR A 33 6.309 11.842 7.898 1.00 0.00 H new ATOM 514 N SER A 34 10.645 5.703 7.398 1.00 0.00 N ATOM 515 CA SER A 34 11.732 6.025 6.481 1.00 0.00 C ATOM 516 C SER A 34 11.434 5.501 5.079 1.00 0.00 C ATOM 517 O SER A 34 11.663 6.189 4.085 1.00 0.00 O ATOM 518 CB SER A 34 13.049 5.435 6.989 1.00 0.00 C ATOM 519 OG SER A 34 14.121 5.758 6.121 1.00 0.00 O ATOM 0 H SER A 34 10.944 5.504 8.353 1.00 0.00 H new ATOM 0 HA SER A 34 11.823 7.110 6.433 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.259 5.815 7.989 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.958 4.352 7.072 1.00 0.00 H new ATOM 0 HG SER A 34 14.951 5.371 6.469 1.00 0.00 H new ATOM 525 N ARG A 35 10.921 4.276 5.009 1.00 0.00 N ATOM 526 CA ARG A 35 10.593 3.657 3.731 1.00 0.00 C ATOM 527 C ARG A 35 9.123 3.250 3.686 1.00 0.00 C ATOM 528 O ARG A 35 8.762 2.142 4.083 1.00 0.00 O ATOM 529 CB ARG A 35 11.480 2.435 3.489 1.00 0.00 C ATOM 530 CG ARG A 35 12.966 2.751 3.487 1.00 0.00 C ATOM 531 CD ARG A 35 13.328 3.720 2.372 1.00 0.00 C ATOM 532 NE ARG A 35 14.732 3.611 1.987 1.00 0.00 N ATOM 533 CZ ARG A 35 15.200 2.673 1.170 1.00 0.00 C ATOM 534 NH1 ARG A 35 14.379 1.768 0.656 1.00 0.00 N ATOM 535 NH2 ARG A 35 16.491 2.640 0.867 1.00 0.00 N ATOM 0 H ARG A 35 10.724 3.693 5.823 1.00 0.00 H new ATOM 0 HA ARG A 35 10.774 4.389 2.944 1.00 0.00 H new ATOM 0 HB2 ARG A 35 11.277 1.691 4.259 1.00 0.00 H new ATOM 0 HB3 ARG A 35 11.212 1.986 2.533 1.00 0.00 H new ATOM 0 HG2 ARG A 35 13.249 3.179 4.449 1.00 0.00 H new ATOM 0 HG3 ARG A 35 13.535 1.829 3.368 1.00 0.00 H new ATOM 0 HD2 ARG A 35 12.698 3.526 1.504 1.00 0.00 H new ATOM 0 HD3 ARG A 35 13.119 4.740 2.696 1.00 0.00 H new ATOM 0 HE ARG A 35 15.390 4.292 2.366 1.00 0.00 H new ATOM 0 HH11 ARG A 35 13.386 1.791 0.887 1.00 0.00 H new ATOM 0 HH12 ARG A 35 14.740 1.049 0.029 1.00 0.00 H new ATOM 0 HH21 ARG A 35 17.125 3.335 1.261 1.00 0.00 H new ATOM 0 HH22 ARG A 35 16.849 1.920 0.240 1.00 0.00 H new ATOM 549 N THR A 36 8.278 4.154 3.200 1.00 0.00 N ATOM 550 CA THR A 36 6.848 3.890 3.105 1.00 0.00 C ATOM 551 C THR A 36 6.284 4.390 1.780 1.00 0.00 C ATOM 552 O THR A 36 6.241 5.595 1.526 1.00 0.00 O ATOM 553 CB THR A 36 6.076 4.553 4.261 1.00 0.00 C ATOM 554 OG1 THR A 36 6.500 5.912 4.418 1.00 0.00 O ATOM 555 CG2 THR A 36 6.294 3.795 5.562 1.00 0.00 C ATOM 0 H THR A 36 8.560 5.076 2.866 1.00 0.00 H new ATOM 0 HA THR A 36 6.721 2.809 3.166 1.00 0.00 H new ATOM 0 HB THR A 36 5.013 4.530 4.019 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.355 5.935 4.897 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.739 4.282 6.364 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.943 2.769 5.449 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.356 3.790 5.807 1.00 0.00 H new ATOM 563 N THR A 37 5.850 3.458 0.937 1.00 0.00 N ATOM 564 CA THR A 37 5.289 3.804 -0.363 1.00 0.00 C ATOM 565 C THR A 37 4.548 2.621 -0.974 1.00 0.00 C ATOM 566 O THR A 37 4.753 1.474 -0.577 1.00 0.00 O ATOM 567 CB THR A 37 6.383 4.272 -1.341 1.00 0.00 C ATOM 568 OG1 THR A 37 7.607 3.579 -1.074 1.00 0.00 O ATOM 569 CG2 THR A 37 6.607 5.772 -1.225 1.00 0.00 C ATOM 0 H THR A 37 5.876 2.457 1.132 1.00 0.00 H new ATOM 0 HA THR A 37 4.588 4.622 -0.197 1.00 0.00 H new ATOM 0 HB THR A 37 6.053 4.048 -2.355 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.297 3.881 -1.701 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.384 6.079 -1.925 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.681 6.297 -1.458 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.917 6.016 -0.209 1.00 0.00 H new ATOM 577 N VAL A 38 3.685 2.906 -1.945 1.00 0.00 N ATOM 578 CA VAL A 38 2.915 1.864 -2.613 1.00 0.00 C ATOM 579 C VAL A 38 3.824 0.759 -3.138 1.00 0.00 C ATOM 580 O VAL A 38 3.443 -0.410 -3.167 1.00 0.00 O ATOM 581 CB VAL A 38 2.093 2.437 -3.783 1.00 0.00 C ATOM 582 CG1 VAL A 38 1.568 1.316 -4.667 1.00 0.00 C ATOM 583 CG2 VAL A 38 0.951 3.296 -3.262 1.00 0.00 C ATOM 0 H VAL A 38 3.502 3.850 -2.286 1.00 0.00 H new ATOM 0 HA VAL A 38 2.235 1.448 -1.870 1.00 0.00 H new ATOM 0 HB VAL A 38 2.745 3.068 -4.387 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.990 1.740 -5.488 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.406 0.747 -5.070 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.931 0.656 -4.078 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.381 3.692 -4.102 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.298 2.691 -2.634 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.355 4.122 -2.676 1.00 0.00 H new ATOM 593 N GLU A 39 5.029 1.139 -3.553 1.00 0.00 N ATOM 594 CA GLU A 39 5.993 0.179 -4.077 1.00 0.00 C ATOM 595 C GLU A 39 6.616 -0.639 -2.949 1.00 0.00 C ATOM 596 O GLU A 39 7.081 -1.759 -3.163 1.00 0.00 O ATOM 597 CB GLU A 39 7.089 0.901 -4.863 1.00 0.00 C ATOM 598 CG GLU A 39 8.103 1.612 -3.982 1.00 0.00 C ATOM 599 CD GLU A 39 8.808 2.745 -4.702 1.00 0.00 C ATOM 600 OE1 GLU A 39 8.163 3.786 -4.946 1.00 0.00 O ATOM 601 OE2 GLU A 39 10.006 2.590 -5.020 1.00 0.00 O ATOM 0 H GLU A 39 5.360 2.104 -3.536 1.00 0.00 H new ATOM 0 HA GLU A 39 5.464 -0.500 -4.745 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.610 0.178 -5.491 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.627 1.629 -5.530 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.599 2.005 -3.099 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.843 0.892 -3.633 1.00 0.00 H new ATOM 608 N ASP A 40 6.621 -0.071 -1.748 1.00 0.00 N ATOM 609 CA ASP A 40 7.186 -0.746 -0.586 1.00 0.00 C ATOM 610 C ASP A 40 6.262 -1.859 -0.102 1.00 0.00 C ATOM 611 O ASP A 40 6.720 -2.916 0.332 1.00 0.00 O ATOM 612 CB ASP A 40 7.432 0.256 0.543 1.00 0.00 C ATOM 613 CG ASP A 40 8.151 -0.366 1.724 1.00 0.00 C ATOM 614 OD1 ASP A 40 7.875 -1.544 2.032 1.00 0.00 O ATOM 615 OD2 ASP A 40 8.990 0.325 2.340 1.00 0.00 O ATOM 0 H ASP A 40 6.240 0.855 -1.554 1.00 0.00 H new ATOM 0 HA ASP A 40 8.137 -1.190 -0.881 1.00 0.00 H new ATOM 0 HB2 ASP A 40 8.020 1.091 0.162 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.478 0.664 0.876 1.00 0.00 H new ATOM 620 N PHE A 41 4.958 -1.614 -0.178 1.00 0.00 N ATOM 621 CA PHE A 41 3.969 -2.594 0.254 1.00 0.00 C ATOM 622 C PHE A 41 3.897 -3.762 -0.725 1.00 0.00 C ATOM 623 O PHE A 41 3.734 -4.915 -0.322 1.00 0.00 O ATOM 624 CB PHE A 41 2.593 -1.939 0.385 1.00 0.00 C ATOM 625 CG PHE A 41 1.468 -2.926 0.512 1.00 0.00 C ATOM 626 CD1 PHE A 41 1.117 -3.737 -0.555 1.00 0.00 C ATOM 627 CD2 PHE A 41 0.761 -3.042 1.698 1.00 0.00 C ATOM 628 CE1 PHE A 41 0.082 -4.647 -0.441 1.00 0.00 C ATOM 629 CE2 PHE A 41 -0.274 -3.950 1.818 1.00 0.00 C ATOM 630 CZ PHE A 41 -0.614 -4.753 0.746 1.00 0.00 C ATOM 0 H PHE A 41 4.562 -0.745 -0.535 1.00 0.00 H new ATOM 0 HA PHE A 41 4.276 -2.977 1.228 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.592 -1.285 1.257 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.415 -1.308 -0.486 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.658 -3.658 -1.486 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.022 -2.416 2.538 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.181 -5.274 -1.280 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.816 -4.032 2.748 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.423 -5.462 0.837 1.00 0.00 H new ATOM 640 N CYS A 42 4.021 -3.456 -2.012 1.00 0.00 N ATOM 641 CA CYS A 42 3.969 -4.480 -3.050 1.00 0.00 C ATOM 642 C CYS A 42 5.076 -5.510 -2.853 1.00 0.00 C ATOM 643 O CYS A 42 4.843 -6.714 -2.958 1.00 0.00 O ATOM 644 CB CYS A 42 4.090 -3.839 -4.433 1.00 0.00 C ATOM 645 SG CYS A 42 5.794 -3.609 -4.992 1.00 0.00 S ATOM 0 H CYS A 42 4.158 -2.508 -2.362 1.00 0.00 H new ATOM 0 HA CYS A 42 3.008 -4.989 -2.977 1.00 0.00 H new ATOM 0 HB2 CYS A 42 3.562 -4.460 -5.157 1.00 0.00 H new ATOM 0 HB3 CYS A 42 3.590 -2.871 -4.418 1.00 0.00 H new ATOM 0 HG CYS A 42 6.372 -2.703 -4.260 1.00 0.00 H new ATOM 651 N MET A 43 6.282 -5.028 -2.570 1.00 0.00 N ATOM 652 CA MET A 43 7.426 -5.907 -2.360 1.00 0.00 C ATOM 653 C MET A 43 7.152 -6.895 -1.230 1.00 0.00 C ATOM 654 O MET A 43 7.474 -8.078 -1.334 1.00 0.00 O ATOM 655 CB MET A 43 8.677 -5.086 -2.043 1.00 0.00 C ATOM 656 CG MET A 43 9.045 -4.094 -3.135 1.00 0.00 C ATOM 657 SD MET A 43 10.147 -4.803 -4.374 1.00 0.00 S ATOM 658 CE MET A 43 9.258 -4.413 -5.879 1.00 0.00 C ATOM 0 H MET A 43 6.492 -4.034 -2.481 1.00 0.00 H new ATOM 0 HA MET A 43 7.593 -6.469 -3.279 1.00 0.00 H new ATOM 0 HB2 MET A 43 8.520 -4.545 -1.110 1.00 0.00 H new ATOM 0 HB3 MET A 43 9.515 -5.764 -1.881 1.00 0.00 H new ATOM 0 HG2 MET A 43 8.136 -3.742 -3.622 1.00 0.00 H new ATOM 0 HG3 MET A 43 9.523 -3.224 -2.684 1.00 0.00 H new ATOM 0 HE1 MET A 43 9.806 -4.804 -6.737 1.00 0.00 H new ATOM 0 HE2 MET A 43 8.267 -4.866 -5.844 1.00 0.00 H new ATOM 0 HE3 MET A 43 9.159 -3.332 -5.973 1.00 0.00 H new ATOM 668 N LYS A 44 6.556 -6.401 -0.150 1.00 0.00 N ATOM 669 CA LYS A 44 6.238 -7.239 1.000 1.00 0.00 C ATOM 670 C LYS A 44 5.482 -8.491 0.568 1.00 0.00 C ATOM 671 O LYS A 44 5.679 -9.570 1.127 1.00 0.00 O ATOM 672 CB LYS A 44 5.406 -6.453 2.015 1.00 0.00 C ATOM 673 CG LYS A 44 6.229 -5.512 2.879 1.00 0.00 C ATOM 674 CD LYS A 44 7.010 -6.270 3.939 1.00 0.00 C ATOM 675 CE LYS A 44 6.200 -6.435 5.216 1.00 0.00 C ATOM 676 NZ LYS A 44 7.006 -7.046 6.309 1.00 0.00 N ATOM 0 H LYS A 44 6.283 -5.424 -0.047 1.00 0.00 H new ATOM 0 HA LYS A 44 7.175 -7.544 1.466 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.650 -5.876 1.483 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.877 -7.155 2.659 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.919 -4.949 2.250 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.571 -4.788 3.359 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.289 -7.251 3.555 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.936 -5.739 4.160 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.829 -5.462 5.539 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.329 -7.058 5.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.418 -7.142 7.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.339 -7.985 6.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.824 -6.439 6.518 1.00 0.00 H new ATOM 690 N ILE A 45 4.618 -8.340 -0.431 1.00 0.00 N ATOM 691 CA ILE A 45 3.836 -9.460 -0.939 1.00 0.00 C ATOM 692 C ILE A 45 4.535 -10.131 -2.116 1.00 0.00 C ATOM 693 O ILE A 45 5.001 -11.266 -2.011 1.00 0.00 O ATOM 694 CB ILE A 45 2.430 -9.010 -1.380 1.00 0.00 C ATOM 695 CG1 ILE A 45 1.838 -8.037 -0.358 1.00 0.00 C ATOM 696 CG2 ILE A 45 1.520 -10.216 -1.560 1.00 0.00 C ATOM 697 CD1 ILE A 45 1.962 -8.514 1.072 1.00 0.00 C ATOM 0 H ILE A 45 4.442 -7.453 -0.904 1.00 0.00 H new ATOM 0 HA ILE A 45 3.741 -10.175 -0.121 1.00 0.00 H new ATOM 0 HB ILE A 45 2.513 -8.496 -2.337 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.337 -7.073 -0.455 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.785 -7.876 -0.589 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.530 -9.882 -1.872 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.937 -10.876 -2.321 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.440 -10.756 -0.616 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.522 -7.775 1.742 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.439 -9.464 1.185 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.015 -8.647 1.321 1.00 0.00 H new ATOM 709 N HIS A 46 4.608 -9.420 -3.237 1.00 0.00 N ATOM 710 CA HIS A 46 5.254 -9.946 -4.435 1.00 0.00 C ATOM 711 C HIS A 46 5.937 -8.829 -5.218 1.00 0.00 C ATOM 712 O HIS A 46 5.276 -7.955 -5.780 1.00 0.00 O ATOM 713 CB HIS A 46 4.230 -10.654 -5.323 1.00 0.00 C ATOM 714 CG HIS A 46 4.808 -11.782 -6.121 1.00 0.00 C ATOM 715 ND1 HIS A 46 5.674 -11.590 -7.177 1.00 0.00 N ATOM 716 CD2 HIS A 46 4.642 -13.121 -6.012 1.00 0.00 C ATOM 717 CE1 HIS A 46 6.014 -12.761 -7.684 1.00 0.00 C ATOM 718 NE2 HIS A 46 5.401 -13.707 -6.994 1.00 0.00 N ATOM 0 H HIS A 46 4.228 -8.479 -3.341 1.00 0.00 H new ATOM 0 HA HIS A 46 6.012 -10.664 -4.124 1.00 0.00 H new ATOM 0 HB2 HIS A 46 3.423 -11.038 -4.698 1.00 0.00 H new ATOM 0 HB3 HIS A 46 3.788 -9.927 -6.004 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.027 -13.633 -5.287 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.679 -12.919 -8.520 1.00 0.00 H new ATOM 0 HE2 HIS A 46 5.479 -14.710 -7.164 1.00 0.00 H new ATOM 727 N LYS A 47 7.265 -8.862 -5.250 1.00 0.00 N ATOM 728 CA LYS A 47 8.039 -7.854 -5.964 1.00 0.00 C ATOM 729 C LYS A 47 7.452 -7.597 -7.349 1.00 0.00 C ATOM 730 O LYS A 47 7.254 -6.449 -7.745 1.00 0.00 O ATOM 731 CB LYS A 47 9.498 -8.297 -6.092 1.00 0.00 C ATOM 732 CG LYS A 47 10.235 -8.355 -4.765 1.00 0.00 C ATOM 733 CD LYS A 47 11.381 -9.352 -4.806 1.00 0.00 C ATOM 734 CE LYS A 47 12.029 -9.513 -3.439 1.00 0.00 C ATOM 735 NZ LYS A 47 11.195 -10.340 -2.524 1.00 0.00 N ATOM 0 H LYS A 47 7.828 -9.577 -4.789 1.00 0.00 H new ATOM 0 HA LYS A 47 7.996 -6.927 -5.392 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.530 -9.281 -6.559 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.020 -7.610 -6.758 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.621 -7.366 -4.519 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.539 -8.632 -3.973 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.012 -10.318 -5.151 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.128 -9.020 -5.527 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.009 -9.975 -3.554 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.190 -8.530 -2.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.694 -10.469 -1.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.288 -9.861 -2.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.020 -11.269 -2.958 1.00 0.00 H new ATOM 749 N ASN A 48 7.174 -8.672 -8.078 1.00 0.00 N ATOM 750 CA ASN A 48 6.609 -8.562 -9.418 1.00 0.00 C ATOM 751 C ASN A 48 5.289 -7.798 -9.390 1.00 0.00 C ATOM 752 O ASN A 48 4.908 -7.158 -10.371 1.00 0.00 O ATOM 753 CB ASN A 48 6.393 -9.953 -10.019 1.00 0.00 C ATOM 754 CG ASN A 48 5.923 -9.893 -11.459 1.00 0.00 C ATOM 755 OD1 ASN A 48 6.105 -8.886 -12.142 1.00 0.00 O ATOM 756 ND2 ASN A 48 5.314 -10.977 -11.928 1.00 0.00 N ATOM 0 H ASN A 48 7.331 -9.630 -7.764 1.00 0.00 H new ATOM 0 HA ASN A 48 7.315 -8.011 -10.039 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.324 -10.517 -9.967 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.659 -10.494 -9.422 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.976 -10.996 -12.890 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.185 -11.790 -11.326 1.00 0.00 H new ATOM 763 N LEU A 49 4.594 -7.870 -8.260 1.00 0.00 N ATOM 764 CA LEU A 49 3.316 -7.184 -8.102 1.00 0.00 C ATOM 765 C LEU A 49 3.350 -5.811 -8.765 1.00 0.00 C ATOM 766 O LEU A 49 2.549 -5.520 -9.655 1.00 0.00 O ATOM 767 CB LEU A 49 2.972 -7.039 -6.619 1.00 0.00 C ATOM 768 CG LEU A 49 1.611 -6.417 -6.304 1.00 0.00 C ATOM 769 CD1 LEU A 49 0.488 -7.285 -6.850 1.00 0.00 C ATOM 770 CD2 LEU A 49 1.451 -6.216 -4.804 1.00 0.00 C ATOM 0 H LEU A 49 4.894 -8.397 -7.440 1.00 0.00 H new ATOM 0 HA LEU A 49 2.547 -7.783 -8.589 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.013 -8.026 -6.159 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.744 -6.434 -6.145 1.00 0.00 H new ATOM 0 HG LEU A 49 1.557 -5.442 -6.789 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.473 -6.826 -6.616 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.592 -7.378 -7.931 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.538 -8.274 -6.395 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.477 -5.772 -4.598 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.526 -7.178 -4.298 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.236 -5.553 -4.440 1.00 0.00 H new ATOM 782 N ILE A 50 4.282 -4.971 -8.327 1.00 0.00 N ATOM 783 CA ILE A 50 4.422 -3.630 -8.880 1.00 0.00 C ATOM 784 C ILE A 50 4.182 -3.628 -10.386 1.00 0.00 C ATOM 785 O ILE A 50 3.579 -2.702 -10.930 1.00 0.00 O ATOM 786 CB ILE A 50 5.817 -3.045 -8.594 1.00 0.00 C ATOM 787 CG1 ILE A 50 5.842 -1.548 -8.910 1.00 0.00 C ATOM 788 CG2 ILE A 50 6.876 -3.781 -9.402 1.00 0.00 C ATOM 789 CD1 ILE A 50 5.089 -0.706 -7.905 1.00 0.00 C ATOM 0 H ILE A 50 4.951 -5.196 -7.591 1.00 0.00 H new ATOM 0 HA ILE A 50 3.670 -3.009 -8.393 1.00 0.00 H new ATOM 0 HB ILE A 50 6.039 -3.177 -7.535 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.878 -1.211 -8.951 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.415 -1.387 -9.900 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.857 -3.356 -9.189 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.872 -4.837 -9.131 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.659 -3.678 -10.465 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.149 0.344 -8.192 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.044 -1.016 -7.880 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.530 -0.838 -6.917 1.00 0.00 H new ATOM 801 N LYS A 51 4.655 -4.673 -11.056 1.00 0.00 N ATOM 802 CA LYS A 51 4.490 -4.796 -12.500 1.00 0.00 C ATOM 803 C LYS A 51 3.014 -4.878 -12.874 1.00 0.00 C ATOM 804 O LYS A 51 2.562 -4.208 -13.801 1.00 0.00 O ATOM 805 CB LYS A 51 5.227 -6.034 -13.014 1.00 0.00 C ATOM 806 CG LYS A 51 6.714 -6.030 -12.703 1.00 0.00 C ATOM 807 CD LYS A 51 7.504 -6.801 -13.748 1.00 0.00 C ATOM 808 CE LYS A 51 8.930 -6.283 -13.862 1.00 0.00 C ATOM 809 NZ LYS A 51 9.758 -7.132 -14.763 1.00 0.00 N ATOM 0 H LYS A 51 5.156 -5.448 -10.622 1.00 0.00 H new ATOM 0 HA LYS A 51 4.916 -3.907 -12.966 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.775 -6.924 -12.575 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.090 -6.106 -14.093 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.075 -5.002 -12.658 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.882 -6.470 -11.720 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.520 -7.859 -13.486 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.007 -6.719 -14.715 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.916 -5.260 -14.238 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.385 -6.252 -12.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.722 -6.746 -14.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.793 -8.102 -14.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.338 -7.141 -15.714 1.00 0.00 H new ATOM 823 N GLU A 52 2.268 -5.703 -12.144 1.00 0.00 N ATOM 824 CA GLU A 52 0.843 -5.870 -12.401 1.00 0.00 C ATOM 825 C GLU A 52 0.029 -4.808 -11.667 1.00 0.00 C ATOM 826 O GLU A 52 -1.175 -4.672 -11.885 1.00 0.00 O ATOM 827 CB GLU A 52 0.385 -7.266 -11.970 1.00 0.00 C ATOM 828 CG GLU A 52 1.397 -8.358 -12.273 1.00 0.00 C ATOM 829 CD GLU A 52 1.385 -8.776 -13.731 1.00 0.00 C ATOM 830 OE1 GLU A 52 1.335 -7.885 -14.604 1.00 0.00 O ATOM 831 OE2 GLU A 52 1.425 -9.995 -13.998 1.00 0.00 O ATOM 0 H GLU A 52 2.627 -6.265 -11.372 1.00 0.00 H new ATOM 0 HA GLU A 52 0.677 -5.754 -13.472 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.181 -7.258 -10.899 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.553 -7.502 -12.471 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.394 -8.008 -12.007 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.187 -9.226 -11.648 1.00 0.00 H new ATOM 838 N PHE A 53 0.696 -4.057 -10.797 1.00 0.00 N ATOM 839 CA PHE A 53 0.036 -3.007 -10.030 1.00 0.00 C ATOM 840 C PHE A 53 -0.405 -1.864 -10.939 1.00 0.00 C ATOM 841 O PHE A 53 0.424 -1.153 -11.508 1.00 0.00 O ATOM 842 CB PHE A 53 0.972 -2.476 -8.942 1.00 0.00 C ATOM 843 CG PHE A 53 0.602 -1.106 -8.450 1.00 0.00 C ATOM 844 CD1 PHE A 53 -0.488 -0.926 -7.614 1.00 0.00 C ATOM 845 CD2 PHE A 53 1.345 0.002 -8.824 1.00 0.00 C ATOM 846 CE1 PHE A 53 -0.830 0.334 -7.159 1.00 0.00 C ATOM 847 CE2 PHE A 53 1.008 1.264 -8.372 1.00 0.00 C ATOM 848 CZ PHE A 53 -0.081 1.431 -7.540 1.00 0.00 C ATOM 0 H PHE A 53 1.693 -4.156 -10.606 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.849 -3.437 -9.561 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.968 -3.169 -8.101 1.00 0.00 H new ATOM 0 HB3 PHE A 53 1.990 -2.451 -9.330 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.077 -1.780 -7.314 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.197 -0.122 -9.476 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.681 0.461 -6.507 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.596 2.119 -8.670 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.347 2.417 -7.188 1.00 0.00 H new ATOM 858 N LYS A 54 -1.716 -1.693 -11.072 1.00 0.00 N ATOM 859 CA LYS A 54 -2.269 -0.637 -11.912 1.00 0.00 C ATOM 860 C LYS A 54 -2.492 0.638 -11.105 1.00 0.00 C ATOM 861 O LYS A 54 -2.036 1.715 -11.490 1.00 0.00 O ATOM 862 CB LYS A 54 -3.588 -1.094 -12.538 1.00 0.00 C ATOM 863 CG LYS A 54 -3.986 -0.296 -13.768 1.00 0.00 C ATOM 864 CD LYS A 54 -5.329 -0.749 -14.317 1.00 0.00 C ATOM 865 CE LYS A 54 -6.058 0.388 -15.015 1.00 0.00 C ATOM 866 NZ LYS A 54 -6.999 -0.112 -16.055 1.00 0.00 N ATOM 0 H LYS A 54 -2.416 -2.273 -10.608 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.552 -0.424 -12.705 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.507 -2.147 -12.809 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.380 -1.017 -11.793 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.034 0.763 -13.516 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.222 -0.406 -14.537 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.178 -1.570 -15.018 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.945 -1.133 -13.504 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.609 0.973 -14.278 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.331 1.057 -15.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.476 0.694 -16.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.471 -0.649 -16.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.708 -0.731 -15.613 1.00 0.00 H new ATOM 880 N TYR A 55 -3.195 0.509 -9.985 1.00 0.00 N ATOM 881 CA TYR A 55 -3.479 1.651 -9.125 1.00 0.00 C ATOM 882 C TYR A 55 -3.881 1.193 -7.726 1.00 0.00 C ATOM 883 O TYR A 55 -4.131 0.010 -7.496 1.00 0.00 O ATOM 884 CB TYR A 55 -4.589 2.510 -9.732 1.00 0.00 C ATOM 885 CG TYR A 55 -5.884 1.760 -9.948 1.00 0.00 C ATOM 886 CD1 TYR A 55 -6.752 1.512 -8.891 1.00 0.00 C ATOM 887 CD2 TYR A 55 -6.240 1.299 -11.210 1.00 0.00 C ATOM 888 CE1 TYR A 55 -7.936 0.827 -9.084 1.00 0.00 C ATOM 889 CE2 TYR A 55 -7.423 0.614 -11.412 1.00 0.00 C ATOM 890 CZ TYR A 55 -8.267 0.380 -10.347 1.00 0.00 C ATOM 891 OH TYR A 55 -9.445 -0.303 -10.544 1.00 0.00 O ATOM 0 H TYR A 55 -3.579 -0.375 -9.652 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.570 2.248 -9.045 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.777 3.362 -9.078 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.247 2.910 -10.686 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.496 1.861 -7.901 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.581 1.479 -12.047 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -8.599 0.642 -8.251 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -7.685 0.264 -12.399 1.00 0.00 H new ATOM 0 HH TYR A 55 -9.528 -0.547 -11.490 1.00 0.00 H new ATOM 901 N ALA A 56 -3.942 2.140 -6.795 1.00 0.00 N ATOM 902 CA ALA A 56 -4.317 1.836 -5.420 1.00 0.00 C ATOM 903 C ALA A 56 -5.373 2.811 -4.910 1.00 0.00 C ATOM 904 O ALA A 56 -5.324 4.006 -5.206 1.00 0.00 O ATOM 905 CB ALA A 56 -3.091 1.865 -4.520 1.00 0.00 C ATOM 0 H ALA A 56 -3.736 3.124 -6.969 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.746 0.834 -5.400 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.386 1.636 -3.496 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.369 1.124 -4.864 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.638 2.856 -4.554 1.00 0.00 H new ATOM 911 N LEU A 57 -6.327 2.295 -4.144 1.00 0.00 N ATOM 912 CA LEU A 57 -7.396 3.121 -3.593 1.00 0.00 C ATOM 913 C LEU A 57 -7.231 3.292 -2.086 1.00 0.00 C ATOM 914 O LEU A 57 -7.674 2.452 -1.303 1.00 0.00 O ATOM 915 CB LEU A 57 -8.759 2.497 -3.900 1.00 0.00 C ATOM 916 CG LEU A 57 -9.033 2.174 -5.370 1.00 0.00 C ATOM 917 CD1 LEU A 57 -10.121 1.118 -5.490 1.00 0.00 C ATOM 918 CD2 LEU A 57 -9.422 3.433 -6.130 1.00 0.00 C ATOM 0 H LEU A 57 -6.383 1.309 -3.890 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.339 4.104 -4.060 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.854 1.577 -3.323 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.535 3.176 -3.547 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.119 1.776 -5.811 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.303 0.901 -6.543 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.803 0.208 -4.981 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.039 1.487 -5.032 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.613 3.184 -7.174 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -10.322 3.861 -5.689 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.610 4.158 -6.073 1.00 0.00 H new ATOM 930 N VAL A 58 -6.591 4.387 -1.687 1.00 0.00 N ATOM 931 CA VAL A 58 -6.371 4.670 -0.274 1.00 0.00 C ATOM 932 C VAL A 58 -7.639 5.201 0.385 1.00 0.00 C ATOM 933 O VAL A 58 -8.348 6.029 -0.187 1.00 0.00 O ATOM 934 CB VAL A 58 -5.236 5.694 -0.077 1.00 0.00 C ATOM 935 CG1 VAL A 58 -5.056 6.014 1.399 1.00 0.00 C ATOM 936 CG2 VAL A 58 -3.940 5.175 -0.681 1.00 0.00 C ATOM 0 H VAL A 58 -6.216 5.092 -2.322 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.088 3.729 0.197 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.507 6.615 -0.593 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.250 6.739 1.519 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.981 6.431 1.796 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.807 5.102 1.941 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.149 5.911 -0.533 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.661 4.240 -0.195 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.079 5.002 -1.748 1.00 0.00 H new ATOM 946 N TRP A 59 -7.918 4.719 1.591 1.00 0.00 N ATOM 947 CA TRP A 59 -9.102 5.145 2.329 1.00 0.00 C ATOM 948 C TRP A 59 -8.721 5.690 3.701 1.00 0.00 C ATOM 949 O TRP A 59 -8.623 4.940 4.671 1.00 0.00 O ATOM 950 CB TRP A 59 -10.079 3.979 2.483 1.00 0.00 C ATOM 951 CG TRP A 59 -10.886 3.713 1.247 1.00 0.00 C ATOM 952 CD1 TRP A 59 -11.966 4.422 0.805 1.00 0.00 C ATOM 953 CD2 TRP A 59 -10.677 2.662 0.298 1.00 0.00 C ATOM 954 NE1 TRP A 59 -12.441 3.875 -0.363 1.00 0.00 N ATOM 955 CE2 TRP A 59 -11.667 2.795 -0.696 1.00 0.00 C ATOM 956 CE3 TRP A 59 -9.748 1.623 0.188 1.00 0.00 C ATOM 957 CZ2 TRP A 59 -11.753 1.927 -1.781 1.00 0.00 C ATOM 958 CZ3 TRP A 59 -9.836 0.762 -0.889 1.00 0.00 C ATOM 959 CH2 TRP A 59 -10.832 0.919 -1.863 1.00 0.00 C ATOM 0 H TRP A 59 -7.341 4.033 2.078 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.585 5.942 1.764 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -9.522 3.080 2.745 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -10.755 4.188 3.312 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -12.385 5.285 1.300 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -13.240 4.218 -0.896 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.975 1.496 0.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -12.520 2.045 -2.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -9.125 -0.046 -0.982 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -10.873 0.231 -2.694 1.00 0.00 H new ATOM 970 N GLY A 60 -8.507 7.000 3.775 1.00 0.00 N ATOM 971 CA GLY A 60 -8.140 7.622 5.033 1.00 0.00 C ATOM 972 C GLY A 60 -7.705 9.064 4.862 1.00 0.00 C ATOM 973 O GLY A 60 -7.660 9.578 3.744 1.00 0.00 O ATOM 0 H GLY A 60 -8.581 7.642 2.986 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.988 7.580 5.716 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.332 7.054 5.493 1.00 0.00 H new ATOM 977 N LEU A 61 -7.385 9.720 5.972 1.00 0.00 N ATOM 978 CA LEU A 61 -6.954 11.113 5.941 1.00 0.00 C ATOM 979 C LEU A 61 -5.911 11.335 4.850 1.00 0.00 C ATOM 980 O LEU A 61 -5.878 12.389 4.214 1.00 0.00 O ATOM 981 CB LEU A 61 -6.381 11.520 7.300 1.00 0.00 C ATOM 982 CG LEU A 61 -7.156 11.038 8.527 1.00 0.00 C ATOM 983 CD1 LEU A 61 -8.649 11.007 8.236 1.00 0.00 C ATOM 984 CD2 LEU A 61 -6.666 9.665 8.961 1.00 0.00 C ATOM 0 H LEU A 61 -7.416 9.309 6.905 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.823 11.732 5.720 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.360 11.144 7.369 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.323 12.608 7.336 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.980 11.739 9.343 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.185 10.662 9.120 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.989 12.009 7.974 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -8.844 10.328 7.406 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.228 9.338 9.835 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.812 8.953 8.148 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.606 9.719 9.211 1.00 0.00 H new ATOM 996 N SER A 62 -5.062 10.335 4.637 1.00 0.00 N ATOM 997 CA SER A 62 -4.018 10.422 3.623 1.00 0.00 C ATOM 998 C SER A 62 -4.515 11.176 2.394 1.00 0.00 C ATOM 999 O SER A 62 -3.814 12.030 1.850 1.00 0.00 O ATOM 1000 CB SER A 62 -3.550 9.021 3.221 1.00 0.00 C ATOM 1001 OG SER A 62 -2.266 9.065 2.623 1.00 0.00 O ATOM 0 H SER A 62 -5.077 9.455 5.153 1.00 0.00 H new ATOM 0 HA SER A 62 -3.178 10.970 4.049 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.524 8.377 4.100 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.264 8.581 2.525 1.00 0.00 H new ATOM 0 HG SER A 62 -1.989 8.158 2.377 1.00 0.00 H new ATOM 1007 N VAL A 63 -5.730 10.855 1.961 1.00 0.00 N ATOM 1008 CA VAL A 63 -6.323 11.502 0.797 1.00 0.00 C ATOM 1009 C VAL A 63 -7.495 12.390 1.200 1.00 0.00 C ATOM 1010 O VAL A 63 -8.094 12.204 2.259 1.00 0.00 O ATOM 1011 CB VAL A 63 -6.808 10.467 -0.235 1.00 0.00 C ATOM 1012 CG1 VAL A 63 -5.647 9.609 -0.717 1.00 0.00 C ATOM 1013 CG2 VAL A 63 -7.911 9.602 0.357 1.00 0.00 C ATOM 0 H VAL A 63 -6.323 10.150 2.399 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.544 12.116 0.345 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.216 10.999 -1.094 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.009 8.883 -1.446 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.893 10.245 -1.181 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.207 9.084 0.130 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.242 8.876 -0.386 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.531 9.077 1.233 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.751 10.232 0.648 1.00 0.00 H new ATOM 1023 N LYS A 64 -7.819 13.355 0.346 1.00 0.00 N ATOM 1024 CA LYS A 64 -8.922 14.272 0.610 1.00 0.00 C ATOM 1025 C LYS A 64 -10.262 13.617 0.293 1.00 0.00 C ATOM 1026 O LYS A 64 -11.190 13.655 1.102 1.00 0.00 O ATOM 1027 CB LYS A 64 -8.758 15.550 -0.216 1.00 0.00 C ATOM 1028 CG LYS A 64 -7.740 16.520 0.359 1.00 0.00 C ATOM 1029 CD LYS A 64 -6.335 16.204 -0.124 1.00 0.00 C ATOM 1030 CE LYS A 64 -6.054 16.841 -1.477 1.00 0.00 C ATOM 1031 NZ LYS A 64 -4.709 16.469 -1.997 1.00 0.00 N ATOM 0 H LYS A 64 -7.333 13.522 -0.535 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.904 14.527 1.670 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.460 15.282 -1.229 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.723 16.051 -0.290 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.004 17.538 0.073 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.770 16.477 1.448 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.609 16.562 0.606 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.208 15.124 -0.196 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.818 16.530 -2.190 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.122 17.925 -1.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.556 16.923 -2.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.978 16.788 -1.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.652 15.436 -2.105 1.00 0.00 H new ATOM 1045 N HIS A 65 -10.357 13.016 -0.889 1.00 0.00 N ATOM 1046 CA HIS A 65 -11.584 12.350 -1.312 1.00 0.00 C ATOM 1047 C HIS A 65 -11.303 10.912 -1.736 1.00 0.00 C ATOM 1048 O HIS A 65 -10.712 10.669 -2.788 1.00 0.00 O ATOM 1049 CB HIS A 65 -12.234 13.117 -2.464 1.00 0.00 C ATOM 1050 CG HIS A 65 -12.623 14.518 -2.107 1.00 0.00 C ATOM 1051 ND1 HIS A 65 -13.285 14.841 -0.941 1.00 0.00 N ATOM 1052 CD2 HIS A 65 -12.439 15.684 -2.769 1.00 0.00 C ATOM 1053 CE1 HIS A 65 -13.493 16.146 -0.902 1.00 0.00 C ATOM 1054 NE2 HIS A 65 -12.988 16.680 -2.000 1.00 0.00 N ATOM 0 H HIS A 65 -9.599 12.977 -1.571 1.00 0.00 H new ATOM 0 HA HIS A 65 -12.270 12.332 -0.465 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -11.543 13.144 -3.307 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -13.120 12.576 -2.795 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -11.951 15.808 -3.724 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -13.991 16.684 -0.108 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -13.004 17.672 -2.238 1.00 0.00 H new ATOM 1063 N ASN A 66 -11.731 9.962 -0.911 1.00 0.00 N ATOM 1064 CA ASN A 66 -11.524 8.548 -1.200 1.00 0.00 C ATOM 1065 C ASN A 66 -12.830 7.882 -1.623 1.00 0.00 C ATOM 1066 O ASN A 66 -13.924 8.328 -1.276 1.00 0.00 O ATOM 1067 CB ASN A 66 -10.948 7.834 0.025 1.00 0.00 C ATOM 1068 CG ASN A 66 -11.623 8.262 1.314 1.00 0.00 C ATOM 1069 OD1 ASN A 66 -12.609 7.661 1.740 1.00 0.00 O ATOM 1070 ND2 ASN A 66 -11.093 9.306 1.940 1.00 0.00 N ATOM 0 H ASN A 66 -12.223 10.146 -0.037 1.00 0.00 H new ATOM 0 HA ASN A 66 -10.814 8.472 -2.024 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -11.059 6.757 -0.100 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -9.879 8.038 0.092 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -11.504 9.641 2.812 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -10.275 9.773 1.549 1.00 0.00 H new ATOM 1077 N PRO A 67 -12.715 6.789 -2.392 1.00 0.00 N ATOM 1078 CA PRO A 67 -11.418 6.249 -2.812 1.00 0.00 C ATOM 1079 C PRO A 67 -10.714 7.151 -3.820 1.00 0.00 C ATOM 1080 O PRO A 67 -11.354 7.743 -4.688 1.00 0.00 O ATOM 1081 CB PRO A 67 -11.784 4.910 -3.456 1.00 0.00 C ATOM 1082 CG PRO A 67 -13.192 5.079 -3.910 1.00 0.00 C ATOM 1083 CD PRO A 67 -13.842 5.995 -2.910 1.00 0.00 C ATOM 0 HA PRO A 67 -10.723 6.160 -1.977 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -11.124 4.679 -4.292 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -11.694 4.090 -2.743 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.230 5.505 -4.912 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -13.706 4.119 -3.952 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -14.598 6.627 -3.376 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -14.338 5.436 -2.116 1.00 0.00 H new ATOM 1091 N GLN A 68 -9.394 7.250 -3.698 1.00 0.00 N ATOM 1092 CA GLN A 68 -8.604 8.080 -4.599 1.00 0.00 C ATOM 1093 C GLN A 68 -7.609 7.234 -5.386 1.00 0.00 C ATOM 1094 O GLN A 68 -6.935 6.369 -4.828 1.00 0.00 O ATOM 1095 CB GLN A 68 -7.862 9.161 -3.812 1.00 0.00 C ATOM 1096 CG GLN A 68 -7.242 10.236 -4.690 1.00 0.00 C ATOM 1097 CD GLN A 68 -6.696 11.401 -3.889 1.00 0.00 C ATOM 1098 OE1 GLN A 68 -7.454 12.210 -3.353 1.00 0.00 O ATOM 1099 NE2 GLN A 68 -5.374 11.493 -3.803 1.00 0.00 N ATOM 0 H GLN A 68 -8.850 6.766 -2.984 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.285 8.557 -5.304 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.555 9.630 -3.113 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.078 8.692 -3.218 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -6.438 9.798 -5.281 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -7.991 10.602 -5.393 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -4.784 10.800 -4.263 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -4.949 12.257 -3.277 1.00 0.00 H new ATOM 1108 N LYS A 69 -7.522 7.490 -6.687 1.00 0.00 N ATOM 1109 CA LYS A 69 -6.609 6.753 -7.553 1.00 0.00 C ATOM 1110 C LYS A 69 -5.180 7.264 -7.396 1.00 0.00 C ATOM 1111 O LYS A 69 -4.889 8.424 -7.689 1.00 0.00 O ATOM 1112 CB LYS A 69 -7.048 6.875 -9.014 1.00 0.00 C ATOM 1113 CG LYS A 69 -6.688 5.666 -9.860 1.00 0.00 C ATOM 1114 CD LYS A 69 -7.799 4.629 -9.852 1.00 0.00 C ATOM 1115 CE LYS A 69 -8.798 4.873 -10.972 1.00 0.00 C ATOM 1116 NZ LYS A 69 -9.686 6.032 -10.679 1.00 0.00 N ATOM 0 H LYS A 69 -8.073 8.203 -7.165 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.636 5.704 -7.259 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.127 7.024 -9.049 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.589 7.763 -9.450 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.492 5.983 -10.884 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.768 5.218 -9.484 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.369 3.633 -9.957 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.314 4.654 -8.892 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.262 5.052 -11.904 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.404 3.979 -11.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.551 5.960 -11.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.938 6.030 -9.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.190 6.916 -10.911 1.00 0.00 H new ATOM 1130 N VAL A 70 -4.291 6.390 -6.934 1.00 0.00 N ATOM 1131 CA VAL A 70 -2.892 6.752 -6.742 1.00 0.00 C ATOM 1132 C VAL A 70 -1.972 5.830 -7.533 1.00 0.00 C ATOM 1133 O VAL A 70 -2.399 4.792 -8.038 1.00 0.00 O ATOM 1134 CB VAL A 70 -2.498 6.698 -5.253 1.00 0.00 C ATOM 1135 CG1 VAL A 70 -3.386 7.620 -4.432 1.00 0.00 C ATOM 1136 CG2 VAL A 70 -2.574 5.270 -4.734 1.00 0.00 C ATOM 0 H VAL A 70 -4.515 5.426 -6.686 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.777 7.773 -7.105 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.468 7.042 -5.154 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.093 7.569 -3.383 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.277 8.644 -4.790 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.426 7.309 -4.534 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.293 5.250 -3.681 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.592 4.896 -4.845 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.892 4.639 -5.304 1.00 0.00 H new ATOM 1146 N GLY A 71 -0.703 6.215 -7.638 1.00 0.00 N ATOM 1147 CA GLY A 71 0.258 5.412 -8.369 1.00 0.00 C ATOM 1148 C GLY A 71 1.152 4.600 -7.453 1.00 0.00 C ATOM 1149 O GLY A 71 0.730 4.177 -6.376 1.00 0.00 O ATOM 0 H GLY A 71 -0.324 7.069 -7.229 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.273 4.740 -9.043 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.874 6.063 -8.989 1.00 0.00 H new ATOM 1153 N LYS A 72 2.391 4.379 -7.880 1.00 0.00 N ATOM 1154 CA LYS A 72 3.347 3.612 -7.091 1.00 0.00 C ATOM 1155 C LYS A 72 4.220 4.534 -6.247 1.00 0.00 C ATOM 1156 O LYS A 72 4.759 4.125 -5.218 1.00 0.00 O ATOM 1157 CB LYS A 72 4.226 2.757 -8.007 1.00 0.00 C ATOM 1158 CG LYS A 72 5.048 3.570 -8.992 1.00 0.00 C ATOM 1159 CD LYS A 72 6.400 3.948 -8.411 1.00 0.00 C ATOM 1160 CE LYS A 72 7.288 4.612 -9.453 1.00 0.00 C ATOM 1161 NZ LYS A 72 8.305 5.504 -8.828 1.00 0.00 N ATOM 0 H LYS A 72 2.756 4.721 -8.769 1.00 0.00 H new ATOM 0 HA LYS A 72 2.787 2.959 -6.422 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.898 2.156 -7.394 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.593 2.063 -8.560 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.192 2.997 -9.908 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.502 4.474 -9.264 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.259 4.624 -7.568 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.894 3.056 -8.025 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.791 3.846 -10.043 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.671 5.190 -10.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.091 5.653 -9.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.869 6.419 -8.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.666 5.063 -7.958 1.00 0.00 H new ATOM 1175 N ASP A 73 4.355 5.780 -6.687 1.00 0.00 N ATOM 1176 CA ASP A 73 5.161 6.762 -5.971 1.00 0.00 C ATOM 1177 C ASP A 73 4.381 7.355 -4.801 1.00 0.00 C ATOM 1178 O ASP A 73 4.951 8.023 -3.937 1.00 0.00 O ATOM 1179 CB ASP A 73 5.609 7.875 -6.919 1.00 0.00 C ATOM 1180 CG ASP A 73 6.470 8.913 -6.226 1.00 0.00 C ATOM 1181 OD1 ASP A 73 7.189 8.547 -5.273 1.00 0.00 O ATOM 1182 OD2 ASP A 73 6.425 10.092 -6.637 1.00 0.00 O ATOM 0 H ASP A 73 3.916 6.134 -7.537 1.00 0.00 H new ATOM 0 HA ASP A 73 6.042 6.255 -5.577 1.00 0.00 H new ATOM 0 HB2 ASP A 73 6.166 7.440 -7.748 1.00 0.00 H new ATOM 0 HB3 ASP A 73 4.731 8.361 -7.345 1.00 0.00 H new ATOM 1187 N HIS A 74 3.075 7.108 -4.781 1.00 0.00 N ATOM 1188 CA HIS A 74 2.217 7.619 -3.718 1.00 0.00 C ATOM 1189 C HIS A 74 2.690 7.125 -2.354 1.00 0.00 C ATOM 1190 O HIS A 74 2.961 5.937 -2.171 1.00 0.00 O ATOM 1191 CB HIS A 74 0.768 7.191 -3.954 1.00 0.00 C ATOM 1192 CG HIS A 74 -0.134 7.466 -2.790 1.00 0.00 C ATOM 1193 ND1 HIS A 74 -0.713 8.696 -2.560 1.00 0.00 N ATOM 1194 CD2 HIS A 74 -0.557 6.659 -1.789 1.00 0.00 C ATOM 1195 CE1 HIS A 74 -1.452 8.634 -1.467 1.00 0.00 C ATOM 1196 NE2 HIS A 74 -1.375 7.409 -0.980 1.00 0.00 N ATOM 0 H HIS A 74 2.588 6.558 -5.488 1.00 0.00 H new ATOM 0 HA HIS A 74 2.273 8.707 -3.730 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.383 7.709 -4.832 1.00 0.00 H new ATOM 0 HB3 HIS A 74 0.744 6.124 -4.178 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -0.590 9.524 -3.143 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -0.299 5.619 -1.652 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -2.023 9.447 -1.043 1.00 0.00 H new ATOM 1205 N THR A 75 2.788 8.044 -1.398 1.00 0.00 N ATOM 1206 CA THR A 75 3.229 7.702 -0.052 1.00 0.00 C ATOM 1207 C THR A 75 2.082 7.135 0.776 1.00 0.00 C ATOM 1208 O THR A 75 0.963 7.647 0.738 1.00 0.00 O ATOM 1209 CB THR A 75 3.815 8.928 0.675 1.00 0.00 C ATOM 1210 OG1 THR A 75 4.936 9.441 -0.054 1.00 0.00 O ATOM 1211 CG2 THR A 75 4.247 8.564 2.087 1.00 0.00 C ATOM 0 H THR A 75 2.568 9.031 -1.532 1.00 0.00 H new ATOM 0 HA THR A 75 4.006 6.945 -0.157 1.00 0.00 H new ATOM 0 HB THR A 75 3.040 9.692 0.734 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.301 10.221 0.414 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.657 9.445 2.580 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.386 8.201 2.649 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.008 7.784 2.045 1.00 0.00 H new ATOM 1219 N LEU A 76 2.367 6.076 1.525 1.00 0.00 N ATOM 1220 CA LEU A 76 1.357 5.438 2.364 1.00 0.00 C ATOM 1221 C LEU A 76 1.317 6.078 3.748 1.00 0.00 C ATOM 1222 O LEU A 76 2.338 6.539 4.259 1.00 0.00 O ATOM 1223 CB LEU A 76 1.642 3.941 2.490 1.00 0.00 C ATOM 1224 CG LEU A 76 1.385 3.101 1.239 1.00 0.00 C ATOM 1225 CD1 LEU A 76 2.214 1.827 1.271 1.00 0.00 C ATOM 1226 CD2 LEU A 76 -0.096 2.773 1.112 1.00 0.00 C ATOM 0 H LEU A 76 3.288 5.641 1.569 1.00 0.00 H new ATOM 0 HA LEU A 76 0.385 5.578 1.891 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.685 3.813 2.781 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.033 3.543 3.302 1.00 0.00 H new ATOM 0 HG LEU A 76 1.684 3.682 0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.017 1.242 0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.273 2.083 1.313 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.947 1.241 2.151 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.261 2.175 0.216 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.421 2.212 1.988 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.669 3.698 1.041 1.00 0.00 H new ATOM 1238 N GLU A 77 0.132 6.101 4.350 1.00 0.00 N ATOM 1239 CA GLU A 77 -0.039 6.683 5.676 1.00 0.00 C ATOM 1240 C GLU A 77 -0.399 5.609 6.699 1.00 0.00 C ATOM 1241 O GLU A 77 -0.853 4.523 6.341 1.00 0.00 O ATOM 1242 CB GLU A 77 -1.126 7.760 5.648 1.00 0.00 C ATOM 1243 CG GLU A 77 -0.598 9.148 5.325 1.00 0.00 C ATOM 1244 CD GLU A 77 0.651 9.495 6.112 1.00 0.00 C ATOM 1245 OE1 GLU A 77 0.563 9.594 7.353 1.00 0.00 O ATOM 1246 OE2 GLU A 77 1.717 9.667 5.485 1.00 0.00 O ATOM 0 H GLU A 77 -0.723 5.724 3.941 1.00 0.00 H new ATOM 0 HA GLU A 77 0.907 7.138 5.970 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.879 7.486 4.909 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -1.625 7.786 6.617 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.380 9.211 4.259 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.372 9.885 5.536 1.00 0.00 H new ATOM 1253 N ASP A 78 -0.192 5.922 7.973 1.00 0.00 N ATOM 1254 CA ASP A 78 -0.494 4.985 9.050 1.00 0.00 C ATOM 1255 C ASP A 78 -1.999 4.767 9.173 1.00 0.00 C ATOM 1256 O ASP A 78 -2.785 5.701 9.019 1.00 0.00 O ATOM 1257 CB ASP A 78 0.070 5.499 10.375 1.00 0.00 C ATOM 1258 CG ASP A 78 -0.609 4.871 11.576 1.00 0.00 C ATOM 1259 OD1 ASP A 78 -0.175 3.779 12.000 1.00 0.00 O ATOM 1260 OD2 ASP A 78 -1.575 5.471 12.092 1.00 0.00 O ATOM 0 H ASP A 78 0.184 6.817 8.286 1.00 0.00 H new ATOM 0 HA ASP A 78 -0.025 4.031 8.811 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.139 5.291 10.416 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -0.047 6.582 10.420 1.00 0.00 H new ATOM 1265 N GLU A 79 -2.391 3.528 9.451 1.00 0.00 N ATOM 1266 CA GLU A 79 -3.801 3.187 9.594 1.00 0.00 C ATOM 1267 C GLU A 79 -4.577 3.542 8.328 1.00 0.00 C ATOM 1268 O GLU A 79 -5.587 4.244 8.382 1.00 0.00 O ATOM 1269 CB GLU A 79 -4.406 3.915 10.796 1.00 0.00 C ATOM 1270 CG GLU A 79 -3.868 3.433 12.133 1.00 0.00 C ATOM 1271 CD GLU A 79 -4.478 4.171 13.308 1.00 0.00 C ATOM 1272 OE1 GLU A 79 -4.112 5.345 13.525 1.00 0.00 O ATOM 1273 OE2 GLU A 79 -5.322 3.576 14.010 1.00 0.00 O ATOM 0 H GLU A 79 -1.752 2.744 9.582 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.874 2.112 9.756 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.211 4.983 10.699 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.488 3.786 10.781 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.066 2.366 12.237 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.786 3.560 12.152 1.00 0.00 H new ATOM 1280 N ASP A 80 -4.097 3.053 7.190 1.00 0.00 N ATOM 1281 CA ASP A 80 -4.744 3.317 5.911 1.00 0.00 C ATOM 1282 C ASP A 80 -4.945 2.024 5.126 1.00 0.00 C ATOM 1283 O ASP A 80 -4.067 1.163 5.093 1.00 0.00 O ATOM 1284 CB ASP A 80 -3.912 4.303 5.088 1.00 0.00 C ATOM 1285 CG ASP A 80 -4.207 5.747 5.444 1.00 0.00 C ATOM 1286 OD1 ASP A 80 -3.903 6.150 6.586 1.00 0.00 O ATOM 1287 OD2 ASP A 80 -4.743 6.473 4.581 1.00 0.00 O ATOM 0 H ASP A 80 -3.261 2.471 7.128 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.722 3.756 6.111 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.853 4.102 5.247 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -4.111 4.145 4.028 1.00 0.00 H new ATOM 1292 N VAL A 81 -6.109 1.895 4.497 1.00 0.00 N ATOM 1293 CA VAL A 81 -6.426 0.707 3.713 1.00 0.00 C ATOM 1294 C VAL A 81 -6.151 0.937 2.231 1.00 0.00 C ATOM 1295 O VAL A 81 -6.649 1.895 1.638 1.00 0.00 O ATOM 1296 CB VAL A 81 -7.899 0.294 3.892 1.00 0.00 C ATOM 1297 CG1 VAL A 81 -8.224 -0.913 3.024 1.00 0.00 C ATOM 1298 CG2 VAL A 81 -8.197 0.004 5.355 1.00 0.00 C ATOM 0 H VAL A 81 -6.848 2.598 4.515 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.784 -0.094 4.079 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.532 1.122 3.573 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.269 -1.191 3.163 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.051 -0.665 1.977 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.585 -1.749 3.309 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.242 -0.286 5.463 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.557 -0.807 5.703 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.005 0.897 5.949 1.00 0.00 H new ATOM 1308 N ILE A 82 -5.356 0.053 1.639 1.00 0.00 N ATOM 1309 CA ILE A 82 -5.015 0.159 0.225 1.00 0.00 C ATOM 1310 C ILE A 82 -5.506 -1.058 -0.551 1.00 0.00 C ATOM 1311 O ILE A 82 -5.439 -2.186 -0.062 1.00 0.00 O ATOM 1312 CB ILE A 82 -3.496 0.305 0.022 1.00 0.00 C ATOM 1313 CG1 ILE A 82 -3.191 0.739 -1.414 1.00 0.00 C ATOM 1314 CG2 ILE A 82 -2.790 -1.003 0.347 1.00 0.00 C ATOM 1315 CD1 ILE A 82 -1.779 1.247 -1.605 1.00 0.00 C ATOM 0 H ILE A 82 -4.936 -0.745 2.116 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.511 1.053 -0.154 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.126 1.073 0.701 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.358 -0.105 -2.083 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.892 1.521 -1.705 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.717 -0.884 0.199 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.985 -1.274 1.385 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.162 -1.790 -0.309 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.634 1.537 -2.646 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.613 2.111 -0.962 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.071 0.460 -1.345 1.00 0.00 H new ATOM 1327 N GLN A 83 -5.998 -0.822 -1.763 1.00 0.00 N ATOM 1328 CA GLN A 83 -6.499 -1.899 -2.607 1.00 0.00 C ATOM 1329 C GLN A 83 -5.629 -2.067 -3.849 1.00 0.00 C ATOM 1330 O GLN A 83 -5.816 -1.372 -4.848 1.00 0.00 O ATOM 1331 CB GLN A 83 -7.947 -1.624 -3.018 1.00 0.00 C ATOM 1332 CG GLN A 83 -8.494 -2.621 -4.026 1.00 0.00 C ATOM 1333 CD GLN A 83 -10.009 -2.682 -4.023 1.00 0.00 C ATOM 1334 OE1 GLN A 83 -10.674 -1.846 -3.411 1.00 0.00 O ATOM 1335 NE2 GLN A 83 -10.563 -3.674 -4.710 1.00 0.00 N ATOM 0 H GLN A 83 -6.060 0.106 -2.182 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.462 -2.824 -2.031 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -8.577 -1.637 -2.129 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -8.012 -0.621 -3.440 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -8.147 -2.351 -5.023 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -8.094 -3.611 -3.806 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -9.973 -4.345 -5.203 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.578 -3.765 -4.745 1.00 0.00 H new ATOM 1344 N ILE A 84 -4.679 -2.993 -3.779 1.00 0.00 N ATOM 1345 CA ILE A 84 -3.781 -3.252 -4.898 1.00 0.00 C ATOM 1346 C ILE A 84 -4.497 -4.006 -6.013 1.00 0.00 C ATOM 1347 O ILE A 84 -4.784 -5.197 -5.888 1.00 0.00 O ATOM 1348 CB ILE A 84 -2.549 -4.062 -4.455 1.00 0.00 C ATOM 1349 CG1 ILE A 84 -1.772 -3.302 -3.377 1.00 0.00 C ATOM 1350 CG2 ILE A 84 -1.654 -4.361 -5.648 1.00 0.00 C ATOM 1351 CD1 ILE A 84 -1.021 -2.101 -3.907 1.00 0.00 C ATOM 0 H ILE A 84 -4.511 -3.576 -2.959 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.453 -2.282 -5.271 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.888 -5.008 -4.034 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.466 -2.974 -2.603 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.065 -3.982 -2.903 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.787 -4.934 -5.318 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.212 -4.938 -6.386 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.321 -3.425 -6.096 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.494 -1.611 -3.088 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.302 -2.425 -4.660 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.725 -1.400 -4.356 1.00 0.00 H new ATOM 1363 N VAL A 85 -4.780 -3.305 -7.106 1.00 0.00 N ATOM 1364 CA VAL A 85 -5.460 -3.908 -8.247 1.00 0.00 C ATOM 1365 C VAL A 85 -4.459 -4.385 -9.293 1.00 0.00 C ATOM 1366 O VAL A 85 -3.433 -3.746 -9.525 1.00 0.00 O ATOM 1367 CB VAL A 85 -6.441 -2.919 -8.903 1.00 0.00 C ATOM 1368 CG1 VAL A 85 -7.359 -2.304 -7.858 1.00 0.00 C ATOM 1369 CG2 VAL A 85 -5.681 -1.839 -9.660 1.00 0.00 C ATOM 0 H VAL A 85 -4.549 -2.319 -7.226 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.019 -4.763 -7.867 1.00 0.00 H new ATOM 0 HB VAL A 85 -7.058 -3.465 -9.616 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -8.045 -1.608 -8.341 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.929 -3.092 -7.365 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -6.762 -1.771 -7.118 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.389 -1.148 -10.118 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.038 -1.294 -8.969 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -5.071 -2.300 -10.437 1.00 0.00 H new ATOM 1379 N LYS A 86 -4.764 -5.514 -9.925 1.00 0.00 N ATOM 1380 CA LYS A 86 -3.894 -6.077 -10.949 1.00 0.00 C ATOM 1381 C LYS A 86 -4.521 -5.939 -12.333 1.00 0.00 C ATOM 1382 O LYS A 86 -5.643 -6.389 -12.565 1.00 0.00 O ATOM 1383 CB LYS A 86 -3.609 -7.551 -10.652 1.00 0.00 C ATOM 1384 CG LYS A 86 -3.037 -7.792 -9.265 1.00 0.00 C ATOM 1385 CD LYS A 86 -2.735 -9.264 -9.035 1.00 0.00 C ATOM 1386 CE LYS A 86 -1.698 -9.455 -7.938 1.00 0.00 C ATOM 1387 NZ LYS A 86 -1.234 -10.867 -7.854 1.00 0.00 N ATOM 0 H LYS A 86 -5.609 -6.057 -9.745 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.956 -5.522 -10.937 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.533 -8.120 -10.759 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.911 -7.935 -11.396 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.125 -7.209 -9.140 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.744 -7.443 -8.513 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.652 -9.787 -8.765 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.374 -9.711 -9.961 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -0.845 -8.803 -8.127 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.123 -9.155 -6.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -0.528 -10.956 -7.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.043 -11.487 -7.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -0.805 -11.146 -8.760 1.00 0.00 H new ATOM 1401 N LYS A 87 -3.789 -5.316 -13.250 1.00 0.00 N ATOM 1402 CA LYS A 87 -4.271 -5.121 -14.612 1.00 0.00 C ATOM 1403 C LYS A 87 -5.117 -6.307 -15.065 1.00 0.00 C ATOM 1404 O LYS A 87 -4.656 -7.448 -15.060 1.00 0.00 O ATOM 1405 CB LYS A 87 -3.093 -4.926 -15.569 1.00 0.00 C ATOM 1406 CG LYS A 87 -2.546 -3.509 -15.579 1.00 0.00 C ATOM 1407 CD LYS A 87 -1.125 -3.464 -16.117 1.00 0.00 C ATOM 1408 CE LYS A 87 -0.338 -2.309 -15.517 1.00 0.00 C ATOM 1409 NZ LYS A 87 0.250 -2.666 -14.197 1.00 0.00 N ATOM 0 H LYS A 87 -2.858 -4.937 -13.074 1.00 0.00 H new ATOM 0 HA LYS A 87 -4.894 -4.227 -14.626 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.293 -5.613 -15.292 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.407 -5.192 -16.578 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -3.188 -2.874 -16.190 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.566 -3.103 -14.568 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.620 -4.404 -15.894 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -1.149 -3.365 -17.202 1.00 0.00 H new ATOM 0 HE2 LYS A 87 0.458 -2.017 -16.202 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -0.992 -1.445 -15.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 0.524 -1.799 -13.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -0.452 -3.187 -13.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 1.090 -3.263 -14.341 1.00 0.00 H new ATOM 1423 N SER A 88 -6.356 -6.028 -15.457 1.00 0.00 N ATOM 1424 CA SER A 88 -7.267 -7.073 -15.910 1.00 0.00 C ATOM 1425 C SER A 88 -6.746 -7.732 -17.184 1.00 0.00 C ATOM 1426 O SER A 88 -6.415 -7.055 -18.156 1.00 0.00 O ATOM 1427 CB SER A 88 -8.661 -6.492 -16.157 1.00 0.00 C ATOM 1428 OG SER A 88 -9.288 -6.136 -14.937 1.00 0.00 O ATOM 0 H SER A 88 -6.752 -5.088 -15.470 1.00 0.00 H new ATOM 0 HA SER A 88 -7.330 -7.830 -15.128 1.00 0.00 H new ATOM 0 HB2 SER A 88 -8.584 -5.615 -16.800 1.00 0.00 H new ATOM 0 HB3 SER A 88 -9.274 -7.222 -16.685 1.00 0.00 H new ATOM 0 HG SER A 88 -10.176 -5.766 -15.122 1.00 0.00 H new ATOM 1434 N GLY A 89 -6.677 -9.060 -17.170 1.00 0.00 N ATOM 1435 CA GLY A 89 -6.196 -9.790 -18.328 1.00 0.00 C ATOM 1436 C GLY A 89 -5.789 -11.211 -17.990 1.00 0.00 C ATOM 1437 O GLY A 89 -6.029 -11.702 -16.886 1.00 0.00 O ATOM 0 H GLY A 89 -6.946 -9.643 -16.377 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.975 -9.810 -19.090 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.344 -9.264 -18.757 1.00 0.00 H new ATOM 1441 N PRO A 90 -5.159 -11.896 -18.955 1.00 0.00 N ATOM 1442 CA PRO A 90 -4.706 -13.279 -18.778 1.00 0.00 C ATOM 1443 C PRO A 90 -3.537 -13.385 -17.805 1.00 0.00 C ATOM 1444 O PRO A 90 -3.001 -14.471 -17.580 1.00 0.00 O ATOM 1445 CB PRO A 90 -4.269 -13.692 -20.186 1.00 0.00 C ATOM 1446 CG PRO A 90 -3.914 -12.413 -20.863 1.00 0.00 C ATOM 1447 CD PRO A 90 -4.840 -11.373 -20.295 1.00 0.00 C ATOM 0 HA PRO A 90 -5.486 -13.913 -18.356 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.418 -14.372 -20.153 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -5.070 -14.210 -20.713 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -2.872 -12.150 -20.679 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -4.036 -12.496 -21.943 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.362 -10.395 -20.241 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -5.736 -11.256 -20.905 1.00 0.00 H new ATOM 1455 N SER A 91 -3.146 -12.253 -17.230 1.00 0.00 N ATOM 1456 CA SER A 91 -2.038 -12.219 -16.282 1.00 0.00 C ATOM 1457 C SER A 91 -0.732 -12.624 -16.959 1.00 0.00 C ATOM 1458 O SER A 91 0.010 -13.462 -16.448 1.00 0.00 O ATOM 1459 CB SER A 91 -2.322 -13.146 -15.099 1.00 0.00 C ATOM 1460 OG SER A 91 -2.998 -12.457 -14.062 1.00 0.00 O ATOM 0 H SER A 91 -3.580 -11.346 -17.404 1.00 0.00 H new ATOM 0 HA SER A 91 -1.936 -11.197 -15.916 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.925 -13.991 -15.432 1.00 0.00 H new ATOM 0 HB3 SER A 91 -1.385 -13.553 -14.719 1.00 0.00 H new ATOM 0 HG SER A 91 -3.169 -13.072 -13.318 1.00 0.00 H new ATOM 1466 N SER A 92 -0.459 -12.023 -18.113 1.00 0.00 N ATOM 1467 CA SER A 92 0.755 -12.324 -18.863 1.00 0.00 C ATOM 1468 C SER A 92 0.909 -13.828 -19.067 1.00 0.00 C ATOM 1469 O SER A 92 1.988 -14.385 -18.872 1.00 0.00 O ATOM 1470 CB SER A 92 1.980 -11.768 -18.135 1.00 0.00 C ATOM 1471 OG SER A 92 3.003 -11.419 -19.051 1.00 0.00 O ATOM 0 H SER A 92 -1.062 -11.325 -18.549 1.00 0.00 H new ATOM 0 HA SER A 92 0.676 -11.849 -19.841 1.00 0.00 H new ATOM 0 HB2 SER A 92 1.694 -10.892 -17.553 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.356 -12.510 -17.431 1.00 0.00 H new ATOM 0 HG SER A 92 3.774 -11.065 -18.561 1.00 0.00 H new ATOM 1477 N GLY A 93 -0.181 -14.480 -19.462 1.00 0.00 N ATOM 1478 CA GLY A 93 -0.147 -15.913 -19.686 1.00 0.00 C ATOM 1479 C GLY A 93 0.559 -16.658 -18.571 1.00 0.00 C ATOM 1480 O GLY A 93 1.536 -17.368 -18.810 1.00 0.00 O ATOM 0 H GLY A 93 -1.086 -14.041 -19.631 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.166 -16.287 -19.780 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.356 -16.118 -20.631 1.00 0.00 H new TER 1484 GLY A 93