USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 732 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 39 HIS : no HD1:sc= -3.8 K(o=-4.9,f=-3.6) USER MOD Set 1.2: A 63 HIS : no HE2:sc= -1.06 X(o=-4.9,f=-5.1) USER MOD Set 2.1: A 26 HIS : no HD1:sc= -3.51 K(o=-3.5,f=-2.6!) USER MOD Set 2.2: A 30 TYR OH : rot 27:sc= 0.0552 USER MOD Single : A 1 ASP N :NH3+ -115:sc= 0 (180deg=-0.0105) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 165:sc= 0 USER MOD Single : A 8 THR OG1 : rot -138:sc= -2.17 USER MOD Single : A 13 GLN : amide:sc= -3.59 K(o=-3.6,f=-5.6!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -2.51 K(o=-2.5,f=-4.6!) USER MOD Single : A 16 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.128) USER MOD Single : A 18 SER OG : rot -44:sc= 0.726 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0.00525 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.378 USER MOD Single : A 27 HIS : no HD1:sc= -1.12 K(o=-1.1,f=-2.4) USER MOD Single : A 28 LYS NZ :NH3+ 175:sc= 1.16 (180deg=1.02) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.221 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -3.19 K(o=-3.2,f=-11!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0.0583 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 165:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.108 K(o=-0.11,f=-3.7) USER MOD Single : A 85 SER OG : rot 180:sc= 0.323 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.0802 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -7.737 -2.571 20.398 1.00 0.00 N ATOM 2 CA ASP A 1 -9.072 -2.767 19.763 1.00 0.00 C ATOM 3 C ASP A 1 -9.117 -2.072 18.399 1.00 0.00 C ATOM 4 O ASP A 1 -9.126 -2.715 17.367 1.00 0.00 O ATOM 5 CB ASP A 1 -10.067 -2.120 20.727 1.00 0.00 C ATOM 6 CG ASP A 1 -10.319 -3.061 21.908 1.00 0.00 C ATOM 7 OD1 ASP A 1 -10.450 -4.250 21.674 1.00 0.00 O ATOM 8 OD2 ASP A 1 -10.377 -2.574 23.025 1.00 0.00 O ATOM 0 H1 ASP A 1 -7.256 -3.489 20.486 1.00 0.00 H new ATOM 0 H2 ASP A 1 -7.163 -1.934 19.810 1.00 0.00 H new ATOM 0 H3 ASP A 1 -7.860 -2.153 21.342 1.00 0.00 H new ATOM 0 HA ASP A 1 -9.297 -3.820 19.590 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -9.676 -1.167 21.084 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -11.003 -1.907 20.211 1.00 0.00 H new ATOM 13 N LYS A 2 -9.107 -0.763 18.392 1.00 0.00 N ATOM 14 CA LYS A 2 -9.105 -0.016 17.095 1.00 0.00 C ATOM 15 C LYS A 2 -7.852 -0.363 16.283 1.00 0.00 C ATOM 16 O LYS A 2 -6.767 -0.473 16.822 1.00 0.00 O ATOM 17 CB LYS A 2 -9.112 1.470 17.479 1.00 0.00 C ATOM 18 CG LYS A 2 -7.880 1.800 18.330 1.00 0.00 C ATOM 19 CD LYS A 2 -8.257 2.821 19.405 1.00 0.00 C ATOM 20 CE LYS A 2 -6.985 3.413 20.018 1.00 0.00 C ATOM 21 NZ LYS A 2 -7.290 4.856 20.217 1.00 0.00 N ATOM 0 H LYS A 2 -9.100 -0.178 19.228 1.00 0.00 H new ATOM 0 HA LYS A 2 -9.963 -0.273 16.474 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -9.118 2.086 16.580 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -10.020 1.706 18.033 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -7.493 0.893 18.795 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -7.086 2.198 17.699 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -8.867 3.613 18.971 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -8.858 2.344 20.179 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -6.739 2.928 20.962 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -6.129 3.278 19.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -6.464 5.331 20.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -7.514 5.293 19.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -8.105 4.954 20.855 1.00 0.00 H new ATOM 35 N ASP A 3 -7.993 -0.497 14.989 1.00 0.00 N ATOM 36 CA ASP A 3 -6.808 -0.791 14.128 1.00 0.00 C ATOM 37 C ASP A 3 -7.157 -0.567 12.654 1.00 0.00 C ATOM 38 O ASP A 3 -8.243 -0.886 12.210 1.00 0.00 O ATOM 39 CB ASP A 3 -6.488 -2.263 14.385 1.00 0.00 C ATOM 40 CG ASP A 3 -5.217 -2.650 13.627 1.00 0.00 C ATOM 41 OD1 ASP A 3 -4.254 -1.905 13.706 1.00 0.00 O ATOM 42 OD2 ASP A 3 -5.227 -3.685 12.981 1.00 0.00 O ATOM 0 H ASP A 3 -8.879 -0.415 14.491 1.00 0.00 H new ATOM 0 HA ASP A 3 -5.961 -0.144 14.356 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -6.354 -2.436 15.453 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -7.321 -2.889 14.063 1.00 0.00 H new ATOM 47 N VAL A 4 -6.226 -0.054 11.884 1.00 0.00 N ATOM 48 CA VAL A 4 -6.469 0.161 10.419 1.00 0.00 C ATOM 49 C VAL A 4 -7.746 0.987 10.196 1.00 0.00 C ATOM 50 O VAL A 4 -8.844 0.462 10.209 1.00 0.00 O ATOM 51 CB VAL A 4 -6.604 -1.251 9.818 1.00 0.00 C ATOM 52 CG1 VAL A 4 -7.009 -1.168 8.342 1.00 0.00 C ATOM 53 CG2 VAL A 4 -5.260 -1.973 9.922 1.00 0.00 C ATOM 0 H VAL A 4 -5.301 0.227 12.209 1.00 0.00 H new ATOM 0 HA VAL A 4 -5.660 0.720 9.947 1.00 0.00 H new ATOM 0 HB VAL A 4 -7.371 -1.795 10.369 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -7.100 -2.174 7.933 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -7.966 -0.653 8.256 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -6.249 -0.618 7.787 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -5.350 -2.973 9.498 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.503 -1.413 9.373 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.967 -2.048 10.969 1.00 0.00 H new ATOM 63 N LYS A 5 -7.594 2.250 9.892 1.00 0.00 N ATOM 64 CA LYS A 5 -8.780 3.091 9.550 1.00 0.00 C ATOM 65 C LYS A 5 -9.138 2.901 8.075 1.00 0.00 C ATOM 66 O LYS A 5 -8.279 2.654 7.249 1.00 0.00 O ATOM 67 CB LYS A 5 -8.338 4.530 9.817 1.00 0.00 C ATOM 68 CG LYS A 5 -9.517 5.477 9.586 1.00 0.00 C ATOM 69 CD LYS A 5 -9.118 6.898 9.991 1.00 0.00 C ATOM 70 CE LYS A 5 -8.123 7.460 8.972 1.00 0.00 C ATOM 71 NZ LYS A 5 -8.951 8.264 8.031 1.00 0.00 N ATOM 0 H LYS A 5 -6.698 2.736 9.866 1.00 0.00 H new ATOM 0 HA LYS A 5 -9.663 2.827 10.133 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.975 4.626 10.840 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.510 4.795 9.159 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.814 5.456 8.537 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -10.379 5.150 10.168 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.001 7.535 10.042 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.672 6.892 10.986 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.366 8.076 9.457 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.597 6.660 8.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.340 8.683 7.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.658 7.650 7.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.434 9.022 8.554 1.00 0.00 H new ATOM 85 N TYR A 6 -10.396 3.030 7.736 1.00 0.00 N ATOM 86 CA TYR A 6 -10.807 2.876 6.308 1.00 0.00 C ATOM 87 C TYR A 6 -10.516 4.162 5.529 1.00 0.00 C ATOM 88 O TYR A 6 -11.373 5.010 5.372 1.00 0.00 O ATOM 89 CB TYR A 6 -12.311 2.601 6.354 1.00 0.00 C ATOM 90 CG TYR A 6 -12.543 1.112 6.443 1.00 0.00 C ATOM 91 CD1 TYR A 6 -12.083 0.270 5.424 1.00 0.00 C ATOM 92 CD2 TYR A 6 -13.214 0.574 7.548 1.00 0.00 C ATOM 93 CE1 TYR A 6 -12.295 -1.111 5.509 1.00 0.00 C ATOM 94 CE2 TYR A 6 -13.426 -0.808 7.633 1.00 0.00 C ATOM 95 CZ TYR A 6 -12.967 -1.651 6.613 1.00 0.00 C ATOM 96 OH TYR A 6 -13.175 -3.012 6.697 1.00 0.00 O ATOM 0 H TYR A 6 -11.155 3.235 8.386 1.00 0.00 H new ATOM 0 HA TYR A 6 -10.263 2.075 5.807 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -12.758 3.102 7.212 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -12.793 3.003 5.463 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -11.565 0.686 4.573 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -13.568 1.224 8.334 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -11.940 -1.761 4.723 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -13.943 -1.224 8.485 1.00 0.00 H new ATOM 0 HH TYR A 6 -13.655 -3.219 7.526 1.00 0.00 H new ATOM 106 N TYR A 7 -9.324 4.283 5.001 1.00 0.00 N ATOM 107 CA TYR A 7 -8.982 5.484 4.178 1.00 0.00 C ATOM 108 C TYR A 7 -9.892 5.553 2.948 1.00 0.00 C ATOM 109 O TYR A 7 -10.860 4.823 2.844 1.00 0.00 O ATOM 110 CB TYR A 7 -7.523 5.282 3.759 1.00 0.00 C ATOM 111 CG TYR A 7 -6.620 5.528 4.945 1.00 0.00 C ATOM 112 CD1 TYR A 7 -6.681 6.747 5.629 1.00 0.00 C ATOM 113 CD2 TYR A 7 -5.722 4.537 5.359 1.00 0.00 C ATOM 114 CE1 TYR A 7 -5.844 6.977 6.727 1.00 0.00 C ATOM 115 CE2 TYR A 7 -4.886 4.766 6.458 1.00 0.00 C ATOM 116 CZ TYR A 7 -4.946 5.986 7.142 1.00 0.00 C ATOM 117 OH TYR A 7 -4.121 6.212 8.225 1.00 0.00 O ATOM 0 H TYR A 7 -8.572 3.602 5.104 1.00 0.00 H new ATOM 0 HA TYR A 7 -9.118 6.415 4.729 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.379 4.269 3.382 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -7.269 5.964 2.947 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -7.374 7.511 5.310 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.674 3.596 4.831 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -5.891 7.919 7.254 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -4.194 4.001 6.779 1.00 0.00 H new ATOM 0 HH TYR A 7 -3.740 5.362 8.529 1.00 0.00 H new ATOM 127 N THR A 8 -9.573 6.406 2.007 1.00 0.00 N ATOM 128 CA THR A 8 -10.400 6.501 0.766 1.00 0.00 C ATOM 129 C THR A 8 -9.560 6.158 -0.466 1.00 0.00 C ATOM 130 O THR A 8 -8.353 6.303 -0.467 1.00 0.00 O ATOM 131 CB THR A 8 -10.868 7.957 0.710 1.00 0.00 C ATOM 132 OG1 THR A 8 -9.736 8.815 0.696 1.00 0.00 O ATOM 133 CG2 THR A 8 -11.729 8.266 1.936 1.00 0.00 C ATOM 0 H THR A 8 -8.775 7.041 2.045 1.00 0.00 H new ATOM 0 HA THR A 8 -11.237 5.803 0.778 1.00 0.00 H new ATOM 0 HB THR A 8 -11.457 8.116 -0.193 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.899 9.581 1.285 1.00 0.00 H new ATOM 0 HG21 THR A 8 -12.062 9.303 1.895 1.00 0.00 H new ATOM 0 HG22 THR A 8 -12.597 7.607 1.947 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.143 8.109 2.841 1.00 0.00 H new ATOM 141 N LEU A 9 -10.202 5.728 -1.522 1.00 0.00 N ATOM 142 CA LEU A 9 -9.461 5.397 -2.778 1.00 0.00 C ATOM 143 C LEU A 9 -9.043 6.676 -3.510 1.00 0.00 C ATOM 144 O LEU A 9 -8.079 6.686 -4.253 1.00 0.00 O ATOM 145 CB LEU A 9 -10.455 4.597 -3.622 1.00 0.00 C ATOM 146 CG LEU A 9 -9.775 4.121 -4.905 1.00 0.00 C ATOM 147 CD1 LEU A 9 -9.092 2.778 -4.651 1.00 0.00 C ATOM 148 CD2 LEU A 9 -10.826 3.956 -6.006 1.00 0.00 C ATOM 0 H LEU A 9 -11.212 5.591 -1.569 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.547 4.838 -2.579 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.823 3.742 -3.055 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.320 5.214 -3.865 1.00 0.00 H new ATOM 0 HG LEU A 9 -9.031 4.855 -5.216 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.607 2.438 -5.566 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.345 2.892 -3.865 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.836 2.044 -4.341 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.343 3.616 -6.922 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -11.568 3.221 -5.693 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -11.316 4.912 -6.187 1.00 0.00 H new ATOM 160 N GLU A 10 -9.754 7.756 -3.298 1.00 0.00 N ATOM 161 CA GLU A 10 -9.393 9.041 -3.973 1.00 0.00 C ATOM 162 C GLU A 10 -8.223 9.723 -3.254 1.00 0.00 C ATOM 163 O GLU A 10 -7.501 10.505 -3.843 1.00 0.00 O ATOM 164 CB GLU A 10 -10.653 9.903 -3.882 1.00 0.00 C ATOM 165 CG GLU A 10 -11.631 9.500 -4.986 1.00 0.00 C ATOM 166 CD GLU A 10 -12.993 10.144 -4.724 1.00 0.00 C ATOM 167 OE1 GLU A 10 -13.384 10.207 -3.570 1.00 0.00 O ATOM 168 OE2 GLU A 10 -13.622 10.565 -5.681 1.00 0.00 O ATOM 0 H GLU A 10 -10.569 7.803 -2.686 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.075 8.884 -5.004 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.121 9.779 -2.905 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.393 10.957 -3.980 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.249 9.815 -5.957 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.731 8.415 -5.019 1.00 0.00 H new ATOM 175 N GLU A 11 -8.024 9.426 -1.994 1.00 0.00 N ATOM 176 CA GLU A 11 -6.891 10.049 -1.244 1.00 0.00 C ATOM 177 C GLU A 11 -5.604 9.241 -1.442 1.00 0.00 C ATOM 178 O GLU A 11 -4.513 9.775 -1.372 1.00 0.00 O ATOM 179 CB GLU A 11 -7.320 10.018 0.223 1.00 0.00 C ATOM 180 CG GLU A 11 -6.268 10.726 1.078 1.00 0.00 C ATOM 181 CD GLU A 11 -6.307 12.229 0.796 1.00 0.00 C ATOM 182 OE1 GLU A 11 -7.364 12.816 0.965 1.00 0.00 O ATOM 183 OE2 GLU A 11 -5.281 12.768 0.417 1.00 0.00 O ATOM 0 H GLU A 11 -8.597 8.779 -1.453 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.682 11.062 -1.589 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.288 10.506 0.340 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.441 8.987 0.556 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.457 10.539 2.135 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.277 10.329 0.856 1.00 0.00 H new ATOM 190 N ILE A 12 -5.724 7.964 -1.705 1.00 0.00 N ATOM 191 CA ILE A 12 -4.507 7.123 -1.926 1.00 0.00 C ATOM 192 C ILE A 12 -3.904 7.415 -3.306 1.00 0.00 C ATOM 193 O ILE A 12 -2.741 7.753 -3.422 1.00 0.00 O ATOM 194 CB ILE A 12 -4.999 5.672 -1.841 1.00 0.00 C ATOM 195 CG1 ILE A 12 -5.598 5.415 -0.455 1.00 0.00 C ATOM 196 CG2 ILE A 12 -3.827 4.713 -2.065 1.00 0.00 C ATOM 197 CD1 ILE A 12 -6.558 4.227 -0.527 1.00 0.00 C ATOM 0 H ILE A 12 -6.612 7.467 -1.776 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.727 7.326 -1.193 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.756 5.507 -2.607 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.804 5.212 0.264 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.126 6.302 -0.105 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.182 3.684 -2.004 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.395 4.890 -3.050 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.068 4.881 -1.301 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -6.985 4.044 0.459 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -7.358 4.448 -1.233 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.016 3.341 -0.858 1.00 0.00 H new ATOM 209 N GLN A 13 -4.690 7.299 -4.347 1.00 0.00 N ATOM 210 CA GLN A 13 -4.168 7.584 -5.719 1.00 0.00 C ATOM 211 C GLN A 13 -4.366 9.063 -6.077 1.00 0.00 C ATOM 212 O GLN A 13 -4.814 9.392 -7.159 1.00 0.00 O ATOM 213 CB GLN A 13 -4.972 6.671 -6.659 1.00 0.00 C ATOM 214 CG GLN A 13 -6.457 7.067 -6.663 1.00 0.00 C ATOM 215 CD GLN A 13 -7.323 5.809 -6.748 1.00 0.00 C ATOM 216 OE1 GLN A 13 -7.003 4.796 -6.158 1.00 0.00 O ATOM 217 NE2 GLN A 13 -8.413 5.830 -7.463 1.00 0.00 N ATOM 0 H GLN A 13 -5.670 7.019 -4.306 1.00 0.00 H new ATOM 0 HA GLN A 13 -3.098 7.392 -5.797 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -4.570 6.738 -7.670 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -4.868 5.633 -6.342 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.697 7.626 -5.758 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.667 7.723 -7.508 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.682 6.680 -7.958 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -8.997 4.996 -7.527 1.00 0.00 H new ATOM 226 N LYS A 14 -3.984 9.952 -5.195 1.00 0.00 N ATOM 227 CA LYS A 14 -4.089 11.410 -5.499 1.00 0.00 C ATOM 228 C LYS A 14 -3.255 12.221 -4.501 1.00 0.00 C ATOM 229 O LYS A 14 -3.748 13.131 -3.862 1.00 0.00 O ATOM 230 CB LYS A 14 -5.575 11.740 -5.353 1.00 0.00 C ATOM 231 CG LYS A 14 -5.918 12.953 -6.219 1.00 0.00 C ATOM 232 CD LYS A 14 -5.880 12.552 -7.696 1.00 0.00 C ATOM 233 CE LYS A 14 -6.495 13.667 -8.544 1.00 0.00 C ATOM 234 NZ LYS A 14 -6.991 12.987 -9.773 1.00 0.00 N ATOM 0 H LYS A 14 -3.603 9.729 -4.275 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.715 11.652 -6.494 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.179 10.884 -5.653 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.811 11.947 -4.309 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.907 13.331 -5.959 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.209 13.759 -6.032 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.852 12.369 -8.008 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -6.429 11.622 -7.846 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.307 14.165 -8.013 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.757 14.431 -8.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.427 13.688 -10.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.195 12.528 -10.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.697 12.270 -9.512 1.00 0.00 H new ATOM 248 N HIS A 15 -1.985 11.919 -4.397 1.00 0.00 N ATOM 249 CA HIS A 15 -1.098 12.695 -3.480 1.00 0.00 C ATOM 250 C HIS A 15 -0.259 13.697 -4.277 1.00 0.00 C ATOM 251 O HIS A 15 0.543 13.321 -5.110 1.00 0.00 O ATOM 252 CB HIS A 15 -0.200 11.648 -2.819 1.00 0.00 C ATOM 253 CG HIS A 15 -0.851 11.153 -1.557 1.00 0.00 C ATOM 254 ND1 HIS A 15 -0.542 11.674 -0.311 1.00 0.00 N ATOM 255 CD2 HIS A 15 -1.797 10.183 -1.334 1.00 0.00 C ATOM 256 CE1 HIS A 15 -1.290 11.023 0.598 1.00 0.00 C ATOM 257 NE2 HIS A 15 -2.073 10.103 0.028 1.00 0.00 N ATOM 0 H HIS A 15 -1.524 11.167 -4.909 1.00 0.00 H new ATOM 0 HA HIS A 15 -1.663 13.269 -2.746 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -0.029 10.817 -3.503 1.00 0.00 H new ATOM 0 HB3 HIS A 15 0.775 12.080 -2.593 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -2.257 9.575 -2.099 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -1.261 11.220 1.659 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -2.731 9.477 0.491 1.00 0.00 H new ATOM 266 N LYS A 16 -0.413 14.966 -3.997 1.00 0.00 N ATOM 267 CA LYS A 16 0.406 16.000 -4.701 1.00 0.00 C ATOM 268 C LYS A 16 1.465 16.574 -3.756 1.00 0.00 C ATOM 269 O LYS A 16 1.900 17.700 -3.909 1.00 0.00 O ATOM 270 CB LYS A 16 -0.592 17.086 -5.126 1.00 0.00 C ATOM 271 CG LYS A 16 -1.314 17.648 -3.897 1.00 0.00 C ATOM 272 CD LYS A 16 -1.993 18.969 -4.264 1.00 0.00 C ATOM 273 CE LYS A 16 -3.141 18.700 -5.240 1.00 0.00 C ATOM 274 NZ LYS A 16 -4.281 18.271 -4.385 1.00 0.00 N ATOM 0 H LYS A 16 -1.072 15.332 -3.310 1.00 0.00 H new ATOM 0 HA LYS A 16 0.940 15.588 -5.557 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.069 17.887 -5.648 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.318 16.670 -5.825 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.055 16.933 -3.539 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.604 17.805 -3.085 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.372 19.457 -3.366 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.270 19.649 -4.715 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.391 19.594 -5.811 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.874 17.926 -5.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.738 17.438 -4.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.931 18.029 -3.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.971 19.046 -4.312 1.00 0.00 H new ATOM 288 N ASP A 17 1.906 15.792 -2.803 1.00 0.00 N ATOM 289 CA ASP A 17 2.971 16.267 -1.870 1.00 0.00 C ATOM 290 C ASP A 17 4.349 15.807 -2.356 1.00 0.00 C ATOM 291 O ASP A 17 5.350 16.452 -2.110 1.00 0.00 O ATOM 292 CB ASP A 17 2.635 15.620 -0.525 1.00 0.00 C ATOM 293 CG ASP A 17 2.980 16.588 0.608 1.00 0.00 C ATOM 294 OD1 ASP A 17 4.149 16.912 0.747 1.00 0.00 O ATOM 295 OD2 ASP A 17 2.072 16.989 1.316 1.00 0.00 O ATOM 0 H ASP A 17 1.573 14.843 -2.631 1.00 0.00 H new ATOM 0 HA ASP A 17 3.006 17.354 -1.804 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.577 15.363 -0.488 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.193 14.691 -0.407 1.00 0.00 H new ATOM 300 N SER A 18 4.403 14.710 -3.076 1.00 0.00 N ATOM 301 CA SER A 18 5.710 14.212 -3.624 1.00 0.00 C ATOM 302 C SER A 18 6.750 14.076 -2.506 1.00 0.00 C ATOM 303 O SER A 18 7.942 14.137 -2.746 1.00 0.00 O ATOM 304 CB SER A 18 6.152 15.262 -4.645 1.00 0.00 C ATOM 305 OG SER A 18 7.323 14.806 -5.310 1.00 0.00 O ATOM 0 H SER A 18 3.594 14.134 -3.310 1.00 0.00 H new ATOM 0 HA SER A 18 5.607 13.226 -4.077 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.356 15.441 -5.368 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.349 16.211 -4.146 1.00 0.00 H new ATOM 0 HG SER A 18 7.948 14.434 -4.653 1.00 0.00 H new ATOM 311 N LYS A 19 6.306 13.851 -1.295 1.00 0.00 N ATOM 312 CA LYS A 19 7.262 13.661 -0.164 1.00 0.00 C ATOM 313 C LYS A 19 7.119 12.251 0.418 1.00 0.00 C ATOM 314 O LYS A 19 8.095 11.616 0.770 1.00 0.00 O ATOM 315 CB LYS A 19 6.861 14.711 0.873 1.00 0.00 C ATOM 316 CG LYS A 19 8.038 14.977 1.813 1.00 0.00 C ATOM 317 CD LYS A 19 8.844 16.170 1.298 1.00 0.00 C ATOM 318 CE LYS A 19 9.408 16.958 2.484 1.00 0.00 C ATOM 319 NZ LYS A 19 9.300 18.387 2.082 1.00 0.00 N ATOM 0 H LYS A 19 5.320 13.791 -1.041 1.00 0.00 H new ATOM 0 HA LYS A 19 8.300 13.772 -0.477 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.564 15.634 0.375 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.999 14.364 1.442 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.674 15.178 2.820 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.674 14.094 1.875 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.656 15.824 0.659 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.210 16.814 0.688 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.842 16.760 3.394 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.443 16.682 2.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.667 18.991 2.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.854 18.547 1.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.303 18.623 1.904 1.00 0.00 H new ATOM 333 N SER A 20 5.913 11.748 0.481 1.00 0.00 N ATOM 334 CA SER A 20 5.700 10.361 0.995 1.00 0.00 C ATOM 335 C SER A 20 5.250 9.440 -0.142 1.00 0.00 C ATOM 336 O SER A 20 5.155 9.850 -1.283 1.00 0.00 O ATOM 337 CB SER A 20 4.599 10.493 2.046 1.00 0.00 C ATOM 338 OG SER A 20 3.456 11.097 1.454 1.00 0.00 O ATOM 0 H SER A 20 5.065 12.239 0.198 1.00 0.00 H new ATOM 0 HA SER A 20 6.610 9.930 1.411 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.341 9.512 2.445 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.950 11.095 2.884 1.00 0.00 H new ATOM 0 HG SER A 20 2.747 11.182 2.125 1.00 0.00 H new ATOM 344 N THR A 21 4.936 8.208 0.171 1.00 0.00 N ATOM 345 CA THR A 21 4.445 7.264 -0.878 1.00 0.00 C ATOM 346 C THR A 21 3.312 6.396 -0.323 1.00 0.00 C ATOM 347 O THR A 21 3.488 5.674 0.641 1.00 0.00 O ATOM 348 CB THR A 21 5.661 6.404 -1.248 1.00 0.00 C ATOM 349 OG1 THR A 21 5.281 5.456 -2.236 1.00 0.00 O ATOM 350 CG2 THR A 21 6.181 5.666 -0.009 1.00 0.00 C ATOM 0 H THR A 21 4.999 7.815 1.110 1.00 0.00 H new ATOM 0 HA THR A 21 4.043 7.786 -1.746 1.00 0.00 H new ATOM 0 HB THR A 21 6.450 7.048 -1.636 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.055 4.906 -2.476 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.044 5.059 -0.283 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.474 6.391 0.750 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.396 5.023 0.388 1.00 0.00 H new ATOM 358 N TRP A 22 2.165 6.429 -0.954 1.00 0.00 N ATOM 359 CA TRP A 22 1.029 5.571 -0.500 1.00 0.00 C ATOM 360 C TRP A 22 0.921 4.328 -1.388 1.00 0.00 C ATOM 361 O TRP A 22 0.054 4.235 -2.237 1.00 0.00 O ATOM 362 CB TRP A 22 -0.213 6.451 -0.645 1.00 0.00 C ATOM 363 CG TRP A 22 -0.392 7.270 0.593 1.00 0.00 C ATOM 364 CD1 TRP A 22 0.578 7.998 1.193 1.00 0.00 C ATOM 365 CD2 TRP A 22 -1.596 7.459 1.392 1.00 0.00 C ATOM 366 NE1 TRP A 22 0.047 8.621 2.308 1.00 0.00 N ATOM 367 CE2 TRP A 22 -1.290 8.320 2.473 1.00 0.00 C ATOM 368 CE3 TRP A 22 -2.910 6.972 1.286 1.00 0.00 C ATOM 369 CZ2 TRP A 22 -2.254 8.683 3.415 1.00 0.00 C ATOM 370 CZ3 TRP A 22 -3.884 7.335 2.231 1.00 0.00 C ATOM 371 CH2 TRP A 22 -3.556 8.190 3.293 1.00 0.00 C ATOM 0 H TRP A 22 1.966 7.014 -1.765 1.00 0.00 H new ATOM 0 HA TRP A 22 1.157 5.218 0.523 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -0.111 7.102 -1.513 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -1.093 5.831 -0.814 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.601 8.079 0.856 1.00 0.00 H new ATOM 0 HE1 TRP A 22 0.578 9.228 2.932 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -3.173 6.313 0.472 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -1.996 9.340 4.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -4.890 6.954 2.139 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -4.309 8.467 4.016 1.00 0.00 H new ATOM 382 N VAL A 23 1.775 3.359 -1.171 1.00 0.00 N ATOM 383 CA VAL A 23 1.705 2.098 -1.970 1.00 0.00 C ATOM 384 C VAL A 23 0.693 1.135 -1.342 1.00 0.00 C ATOM 385 O VAL A 23 0.502 1.121 -0.140 1.00 0.00 O ATOM 386 CB VAL A 23 3.119 1.507 -1.912 1.00 0.00 C ATOM 387 CG1 VAL A 23 3.169 0.204 -2.715 1.00 0.00 C ATOM 388 CG2 VAL A 23 4.118 2.502 -2.511 1.00 0.00 C ATOM 0 H VAL A 23 2.519 3.387 -0.474 1.00 0.00 H new ATOM 0 HA VAL A 23 1.383 2.276 -2.996 1.00 0.00 H new ATOM 0 HB VAL A 23 3.378 1.306 -0.872 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.175 -0.212 -2.671 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.462 -0.511 -2.293 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.905 0.406 -3.753 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.122 2.080 -2.469 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.853 2.704 -3.549 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.091 3.432 -1.942 1.00 0.00 H new ATOM 398 N ILE A 24 0.087 0.295 -2.143 1.00 0.00 N ATOM 399 CA ILE A 24 -0.866 -0.716 -1.592 1.00 0.00 C ATOM 400 C ILE A 24 -0.379 -2.129 -1.929 1.00 0.00 C ATOM 401 O ILE A 24 0.027 -2.404 -3.042 1.00 0.00 O ATOM 402 CB ILE A 24 -2.205 -0.428 -2.280 1.00 0.00 C ATOM 403 CG1 ILE A 24 -2.646 1.006 -1.969 1.00 0.00 C ATOM 404 CG2 ILE A 24 -3.266 -1.404 -1.764 1.00 0.00 C ATOM 405 CD1 ILE A 24 -2.058 1.959 -3.011 1.00 0.00 C ATOM 0 H ILE A 24 0.211 0.266 -3.155 1.00 0.00 H new ATOM 0 HA ILE A 24 -0.952 -0.655 -0.507 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.088 -0.548 -3.357 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.734 1.072 -1.973 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.313 1.292 -0.971 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.218 -1.199 -2.254 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.958 -2.426 -1.984 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.379 -1.283 -0.687 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -2.372 2.979 -2.789 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.970 1.900 -2.985 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.413 1.678 -4.003 1.00 0.00 H new ATOM 417 N LEU A 25 -0.455 -3.034 -0.985 1.00 0.00 N ATOM 418 CA LEU A 25 -0.039 -4.445 -1.255 1.00 0.00 C ATOM 419 C LEU A 25 -1.271 -5.357 -1.297 1.00 0.00 C ATOM 420 O LEU A 25 -1.725 -5.754 -2.354 1.00 0.00 O ATOM 421 CB LEU A 25 0.876 -4.826 -0.081 1.00 0.00 C ATOM 422 CG LEU A 25 2.346 -4.851 -0.527 1.00 0.00 C ATOM 423 CD1 LEU A 25 2.533 -5.869 -1.656 1.00 0.00 C ATOM 424 CD2 LEU A 25 2.768 -3.459 -1.011 1.00 0.00 C ATOM 0 H LEU A 25 -0.788 -2.856 -0.037 1.00 0.00 H new ATOM 0 HA LEU A 25 0.469 -4.550 -2.214 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.749 -4.112 0.733 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.591 -5.804 0.306 1.00 0.00 H new ATOM 0 HG LEU A 25 2.968 -5.140 0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.578 -5.880 -1.966 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.248 -6.860 -1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.906 -5.592 -2.503 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.811 -3.484 -1.326 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.142 -3.161 -1.852 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.651 -2.741 -0.200 1.00 0.00 H new ATOM 436 N HIS A 26 -1.843 -5.643 -0.154 1.00 0.00 N ATOM 437 CA HIS A 26 -3.085 -6.473 -0.115 1.00 0.00 C ATOM 438 C HIS A 26 -4.208 -5.695 0.583 1.00 0.00 C ATOM 439 O HIS A 26 -4.444 -5.847 1.766 1.00 0.00 O ATOM 440 CB HIS A 26 -2.710 -7.736 0.675 1.00 0.00 C ATOM 441 CG HIS A 26 -2.206 -7.369 2.050 1.00 0.00 C ATOM 442 ND1 HIS A 26 -3.002 -7.472 3.179 1.00 0.00 N ATOM 443 CD2 HIS A 26 -0.990 -6.905 2.491 1.00 0.00 C ATOM 444 CE1 HIS A 26 -2.265 -7.079 4.234 1.00 0.00 C ATOM 445 NE2 HIS A 26 -1.030 -6.723 3.870 1.00 0.00 N ATOM 0 H HIS A 26 -1.501 -5.336 0.757 1.00 0.00 H new ATOM 0 HA HIS A 26 -3.448 -6.727 -1.111 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -3.578 -8.389 0.762 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -1.944 -8.294 0.137 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -0.133 -6.711 1.863 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -2.628 -7.054 5.251 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -0.278 -6.390 4.473 1.00 0.00 H new ATOM 453 N HIS A 27 -4.885 -4.837 -0.143 1.00 0.00 N ATOM 454 CA HIS A 27 -5.979 -4.007 0.466 1.00 0.00 C ATOM 455 C HIS A 27 -5.451 -3.224 1.677 1.00 0.00 C ATOM 456 O HIS A 27 -6.211 -2.779 2.517 1.00 0.00 O ATOM 457 CB HIS A 27 -7.062 -5.002 0.898 1.00 0.00 C ATOM 458 CG HIS A 27 -8.307 -4.252 1.285 1.00 0.00 C ATOM 459 ND1 HIS A 27 -9.012 -4.538 2.443 1.00 0.00 N ATOM 460 CD2 HIS A 27 -8.985 -3.224 0.678 1.00 0.00 C ATOM 461 CE1 HIS A 27 -10.062 -3.698 2.497 1.00 0.00 C ATOM 462 NE2 HIS A 27 -10.093 -2.876 1.445 1.00 0.00 N ATOM 0 H HIS A 27 -4.727 -4.674 -1.137 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.367 -3.273 -0.240 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.280 -5.694 0.085 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.708 -5.599 1.739 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.702 -2.756 -0.253 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -10.791 -3.690 3.294 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -10.781 -2.149 1.246 1.00 0.00 H new ATOM 470 N LYS A 28 -4.158 -3.007 1.739 1.00 0.00 N ATOM 471 CA LYS A 28 -3.576 -2.205 2.854 1.00 0.00 C ATOM 472 C LYS A 28 -2.807 -1.009 2.286 1.00 0.00 C ATOM 473 O LYS A 28 -2.021 -1.151 1.370 1.00 0.00 O ATOM 474 CB LYS A 28 -2.624 -3.162 3.577 1.00 0.00 C ATOM 475 CG LYS A 28 -2.736 -2.959 5.093 1.00 0.00 C ATOM 476 CD LYS A 28 -3.558 -4.095 5.708 1.00 0.00 C ATOM 477 CE LYS A 28 -3.736 -3.843 7.208 1.00 0.00 C ATOM 478 NZ LYS A 28 -4.620 -4.945 7.680 1.00 0.00 N ATOM 0 H LYS A 28 -3.481 -3.354 1.060 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.338 -1.809 3.525 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.866 -4.193 3.320 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.599 -2.985 3.252 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.742 -2.933 5.540 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.207 -2.000 5.307 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.531 -4.159 5.221 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.057 -5.050 5.546 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.778 -3.856 7.727 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.186 -2.868 7.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.720 -4.891 8.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.556 -4.853 7.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.202 -5.861 7.420 1.00 0.00 H new ATOM 492 N VAL A 29 -3.007 0.158 2.843 1.00 0.00 N ATOM 493 CA VAL A 29 -2.263 1.359 2.358 1.00 0.00 C ATOM 494 C VAL A 29 -0.959 1.511 3.142 1.00 0.00 C ATOM 495 O VAL A 29 -0.954 1.494 4.358 1.00 0.00 O ATOM 496 CB VAL A 29 -3.192 2.548 2.622 1.00 0.00 C ATOM 497 CG1 VAL A 29 -2.546 3.824 2.080 1.00 0.00 C ATOM 498 CG2 VAL A 29 -4.537 2.325 1.921 1.00 0.00 C ATOM 0 H VAL A 29 -3.653 0.331 3.613 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.000 1.284 1.303 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.357 2.643 3.695 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.204 4.672 2.266 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.591 3.989 2.580 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.381 3.721 1.007 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -5.193 3.174 2.113 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.376 2.226 0.847 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.000 1.415 2.303 1.00 0.00 H new ATOM 508 N TYR A 30 0.146 1.656 2.455 1.00 0.00 N ATOM 509 CA TYR A 30 1.454 1.811 3.161 1.00 0.00 C ATOM 510 C TYR A 30 1.956 3.253 3.058 1.00 0.00 C ATOM 511 O TYR A 30 2.023 3.817 1.981 1.00 0.00 O ATOM 512 CB TYR A 30 2.425 0.875 2.426 1.00 0.00 C ATOM 513 CG TYR A 30 2.106 -0.601 2.654 1.00 0.00 C ATOM 514 CD1 TYR A 30 1.079 -1.018 3.524 1.00 0.00 C ATOM 515 CD2 TYR A 30 2.866 -1.562 1.976 1.00 0.00 C ATOM 516 CE1 TYR A 30 0.823 -2.381 3.705 1.00 0.00 C ATOM 517 CE2 TYR A 30 2.608 -2.925 2.161 1.00 0.00 C ATOM 518 CZ TYR A 30 1.587 -3.334 3.025 1.00 0.00 C ATOM 519 OH TYR A 30 1.334 -4.679 3.205 1.00 0.00 O ATOM 0 H TYR A 30 0.199 1.674 1.437 1.00 0.00 H new ATOM 0 HA TYR A 30 1.366 1.572 4.221 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.391 1.089 1.358 1.00 0.00 H new ATOM 0 HB3 TYR A 30 3.442 1.079 2.760 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.489 -0.284 4.052 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.655 -1.250 1.307 1.00 0.00 H new ATOM 0 HE1 TYR A 30 0.034 -2.698 4.371 1.00 0.00 H new ATOM 0 HE2 TYR A 30 3.198 -3.662 1.636 1.00 0.00 H new ATOM 0 HH TYR A 30 0.394 -4.805 3.454 1.00 0.00 H new ATOM 529 N ASP A 31 2.461 3.786 4.142 1.00 0.00 N ATOM 530 CA ASP A 31 3.138 5.115 4.080 1.00 0.00 C ATOM 531 C ASP A 31 4.648 4.902 4.177 1.00 0.00 C ATOM 532 O ASP A 31 5.237 5.031 5.234 1.00 0.00 O ATOM 533 CB ASP A 31 2.615 5.893 5.290 1.00 0.00 C ATOM 534 CG ASP A 31 3.252 7.283 5.323 1.00 0.00 C ATOM 535 OD1 ASP A 31 2.934 8.080 4.455 1.00 0.00 O ATOM 536 OD2 ASP A 31 4.047 7.529 6.215 1.00 0.00 O ATOM 0 H ASP A 31 2.433 3.357 5.067 1.00 0.00 H new ATOM 0 HA ASP A 31 2.938 5.654 3.154 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.530 5.981 5.237 1.00 0.00 H new ATOM 0 HB3 ASP A 31 2.847 5.354 6.209 1.00 0.00 H new ATOM 541 N LEU A 32 5.260 4.493 3.096 1.00 0.00 N ATOM 542 CA LEU A 32 6.721 4.169 3.127 1.00 0.00 C ATOM 543 C LEU A 32 7.543 5.402 2.741 1.00 0.00 C ATOM 544 O LEU A 32 8.492 5.311 1.983 1.00 0.00 O ATOM 545 CB LEU A 32 6.929 3.041 2.096 1.00 0.00 C ATOM 546 CG LEU A 32 5.821 1.972 2.218 1.00 0.00 C ATOM 547 CD1 LEU A 32 4.881 2.066 1.014 1.00 0.00 C ATOM 548 CD2 LEU A 32 6.439 0.570 2.264 1.00 0.00 C ATOM 0 H LEU A 32 4.811 4.368 2.189 1.00 0.00 H new ATOM 0 HA LEU A 32 7.043 3.862 4.122 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.928 3.458 1.089 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.904 2.579 2.248 1.00 0.00 H new ATOM 0 HG LEU A 32 5.264 2.149 3.138 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.100 1.311 1.102 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.426 3.056 0.984 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.446 1.898 0.097 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.647 -0.174 2.350 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.006 0.392 1.350 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.104 0.493 3.124 1.00 0.00 H new ATOM 560 N THR A 33 7.211 6.546 3.287 1.00 0.00 N ATOM 561 CA THR A 33 7.999 7.782 2.987 1.00 0.00 C ATOM 562 C THR A 33 9.406 7.677 3.586 1.00 0.00 C ATOM 563 O THR A 33 10.351 8.246 3.071 1.00 0.00 O ATOM 564 CB THR A 33 7.216 8.934 3.633 1.00 0.00 C ATOM 565 OG1 THR A 33 7.906 10.154 3.408 1.00 0.00 O ATOM 566 CG2 THR A 33 7.076 8.699 5.142 1.00 0.00 C ATOM 0 H THR A 33 6.428 6.677 3.928 1.00 0.00 H new ATOM 0 HA THR A 33 8.125 7.935 1.915 1.00 0.00 H new ATOM 0 HB THR A 33 6.222 8.982 3.188 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.408 10.892 3.818 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.519 9.523 5.588 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.544 7.764 5.317 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.066 8.643 5.595 1.00 0.00 H new ATOM 574 N LYS A 34 9.560 6.910 4.638 1.00 0.00 N ATOM 575 CA LYS A 34 10.915 6.715 5.236 1.00 0.00 C ATOM 576 C LYS A 34 11.700 5.677 4.428 1.00 0.00 C ATOM 577 O LYS A 34 12.909 5.748 4.323 1.00 0.00 O ATOM 578 CB LYS A 34 10.655 6.209 6.656 1.00 0.00 C ATOM 579 CG LYS A 34 11.663 6.841 7.618 1.00 0.00 C ATOM 580 CD LYS A 34 11.038 6.954 9.010 1.00 0.00 C ATOM 581 CE LYS A 34 12.147 7.042 10.062 1.00 0.00 C ATOM 582 NZ LYS A 34 11.437 7.277 11.350 1.00 0.00 N ATOM 0 H LYS A 34 8.804 6.411 5.108 1.00 0.00 H new ATOM 0 HA LYS A 34 11.505 7.632 5.235 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.639 6.459 6.962 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.739 5.123 6.687 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.568 6.236 7.662 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.956 7.827 7.258 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.401 7.837 9.064 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.403 6.090 9.207 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.733 6.123 10.096 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.839 7.854 9.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.131 7.349 12.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.893 8.161 11.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.790 6.485 11.539 1.00 0.00 H new ATOM 596 N PHE A 35 11.010 4.752 3.810 1.00 0.00 N ATOM 597 CA PHE A 35 11.701 3.746 2.947 1.00 0.00 C ATOM 598 C PHE A 35 12.178 4.408 1.651 1.00 0.00 C ATOM 599 O PHE A 35 13.188 4.030 1.087 1.00 0.00 O ATOM 600 CB PHE A 35 10.641 2.679 2.651 1.00 0.00 C ATOM 601 CG PHE A 35 11.248 1.577 1.814 1.00 0.00 C ATOM 602 CD1 PHE A 35 12.167 0.688 2.384 1.00 0.00 C ATOM 603 CD2 PHE A 35 10.891 1.447 0.467 1.00 0.00 C ATOM 604 CE1 PHE A 35 12.730 -0.331 1.605 1.00 0.00 C ATOM 605 CE2 PHE A 35 11.453 0.429 -0.311 1.00 0.00 C ATOM 606 CZ PHE A 35 12.372 -0.461 0.258 1.00 0.00 C ATOM 0 H PHE A 35 9.997 4.650 3.866 1.00 0.00 H new ATOM 0 HA PHE A 35 12.580 3.319 3.429 1.00 0.00 H new ATOM 0 HB2 PHE A 35 10.253 2.269 3.584 1.00 0.00 H new ATOM 0 HB3 PHE A 35 9.798 3.126 2.125 1.00 0.00 H new ATOM 0 HD1 PHE A 35 12.442 0.788 3.424 1.00 0.00 H new ATOM 0 HD2 PHE A 35 10.181 2.133 0.028 1.00 0.00 H new ATOM 0 HE1 PHE A 35 13.440 -1.016 2.044 1.00 0.00 H new ATOM 0 HE2 PHE A 35 11.178 0.330 -1.351 1.00 0.00 H new ATOM 0 HZ PHE A 35 12.805 -1.248 -0.342 1.00 0.00 H new ATOM 616 N LEU A 36 11.481 5.421 1.203 1.00 0.00 N ATOM 617 CA LEU A 36 11.914 6.149 -0.031 1.00 0.00 C ATOM 618 C LEU A 36 13.249 6.856 0.217 1.00 0.00 C ATOM 619 O LEU A 36 14.050 7.019 -0.683 1.00 0.00 O ATOM 620 CB LEU A 36 10.808 7.172 -0.305 1.00 0.00 C ATOM 621 CG LEU A 36 10.560 7.267 -1.811 1.00 0.00 C ATOM 622 CD1 LEU A 36 9.155 7.817 -2.064 1.00 0.00 C ATOM 623 CD2 LEU A 36 11.594 8.205 -2.438 1.00 0.00 C ATOM 0 H LEU A 36 10.630 5.777 1.638 1.00 0.00 H new ATOM 0 HA LEU A 36 12.060 5.476 -0.876 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.892 6.878 0.207 1.00 0.00 H new ATOM 0 HB3 LEU A 36 11.095 8.147 0.089 1.00 0.00 H new ATOM 0 HG LEU A 36 10.648 6.276 -2.257 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.979 7.885 -3.138 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.417 7.151 -1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.067 8.808 -1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.419 8.274 -3.512 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.505 9.195 -1.991 1.00 0.00 H new ATOM 0 HD23 LEU A 36 12.596 7.815 -2.258 1.00 0.00 H new ATOM 635 N GLU A 37 13.505 7.243 1.442 1.00 0.00 N ATOM 636 CA GLU A 37 14.805 7.902 1.770 1.00 0.00 C ATOM 637 C GLU A 37 15.843 6.855 2.181 1.00 0.00 C ATOM 638 O GLU A 37 17.029 7.035 1.981 1.00 0.00 O ATOM 639 CB GLU A 37 14.491 8.835 2.939 1.00 0.00 C ATOM 640 CG GLU A 37 13.787 10.089 2.419 1.00 0.00 C ATOM 641 CD GLU A 37 13.447 11.009 3.593 1.00 0.00 C ATOM 642 OE1 GLU A 37 14.337 11.702 4.056 1.00 0.00 O ATOM 643 OE2 GLU A 37 12.299 11.004 4.010 1.00 0.00 O ATOM 0 H GLU A 37 12.868 7.130 2.230 1.00 0.00 H new ATOM 0 HA GLU A 37 15.221 8.441 0.918 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.858 8.325 3.665 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.411 9.110 3.456 1.00 0.00 H new ATOM 0 HG2 GLU A 37 14.428 10.611 1.709 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.878 9.813 1.885 1.00 0.00 H new ATOM 650 N GLU A 38 15.400 5.746 2.721 1.00 0.00 N ATOM 651 CA GLU A 38 16.353 4.663 3.109 1.00 0.00 C ATOM 652 C GLU A 38 16.752 3.845 1.877 1.00 0.00 C ATOM 653 O GLU A 38 17.865 3.363 1.777 1.00 0.00 O ATOM 654 CB GLU A 38 15.584 3.793 4.105 1.00 0.00 C ATOM 655 CG GLU A 38 16.536 3.302 5.197 1.00 0.00 C ATOM 656 CD GLU A 38 16.603 4.341 6.319 1.00 0.00 C ATOM 657 OE1 GLU A 38 17.221 5.371 6.109 1.00 0.00 O ATOM 658 OE2 GLU A 38 16.036 4.087 7.369 1.00 0.00 O ATOM 0 H GLU A 38 14.418 5.545 2.910 1.00 0.00 H new ATOM 0 HA GLU A 38 17.273 5.058 3.541 1.00 0.00 H new ATOM 0 HB2 GLU A 38 14.769 4.364 4.549 1.00 0.00 H new ATOM 0 HB3 GLU A 38 15.135 2.943 3.591 1.00 0.00 H new ATOM 0 HG2 GLU A 38 16.192 2.346 5.592 1.00 0.00 H new ATOM 0 HG3 GLU A 38 17.530 3.136 4.781 1.00 0.00 H new ATOM 665 N HIS A 39 15.866 3.726 0.923 1.00 0.00 N ATOM 666 CA HIS A 39 16.200 2.986 -0.331 1.00 0.00 C ATOM 667 C HIS A 39 16.256 3.958 -1.520 1.00 0.00 C ATOM 668 O HIS A 39 15.239 4.252 -2.116 1.00 0.00 O ATOM 669 CB HIS A 39 15.064 1.980 -0.512 1.00 0.00 C ATOM 670 CG HIS A 39 15.404 0.704 0.209 1.00 0.00 C ATOM 671 ND1 HIS A 39 15.622 0.664 1.577 1.00 0.00 N ATOM 672 CD2 HIS A 39 15.566 -0.586 -0.233 1.00 0.00 C ATOM 673 CE1 HIS A 39 15.901 -0.610 1.907 1.00 0.00 C ATOM 674 NE2 HIS A 39 15.880 -1.414 0.840 1.00 0.00 N ATOM 0 H HIS A 39 14.922 4.111 0.958 1.00 0.00 H new ATOM 0 HA HIS A 39 17.172 2.496 -0.276 1.00 0.00 H new ATOM 0 HB2 HIS A 39 14.133 2.393 -0.123 1.00 0.00 H new ATOM 0 HB3 HIS A 39 14.906 1.780 -1.572 1.00 0.00 H new ATOM 0 HD2 HIS A 39 15.465 -0.909 -1.259 1.00 0.00 H new ATOM 0 HE1 HIS A 39 16.116 -0.942 2.912 1.00 0.00 H new ATOM 0 HE2 HIS A 39 16.056 -2.418 0.817 1.00 0.00 H new ATOM 682 N PRO A 40 17.446 4.434 -1.834 1.00 0.00 N ATOM 683 CA PRO A 40 17.612 5.385 -2.971 1.00 0.00 C ATOM 684 C PRO A 40 16.989 4.824 -4.257 1.00 0.00 C ATOM 685 O PRO A 40 17.647 4.158 -5.033 1.00 0.00 O ATOM 686 CB PRO A 40 19.127 5.507 -3.120 1.00 0.00 C ATOM 687 CG PRO A 40 19.675 5.156 -1.776 1.00 0.00 C ATOM 688 CD PRO A 40 18.733 4.147 -1.177 1.00 0.00 C ATOM 0 HA PRO A 40 17.120 6.341 -2.792 1.00 0.00 H new ATOM 0 HB2 PRO A 40 19.504 4.832 -3.889 1.00 0.00 H new ATOM 0 HB3 PRO A 40 19.415 6.517 -3.413 1.00 0.00 H new ATOM 0 HG2 PRO A 40 20.680 4.743 -1.863 1.00 0.00 H new ATOM 0 HG3 PRO A 40 19.747 6.041 -1.144 1.00 0.00 H new ATOM 0 HD2 PRO A 40 19.063 3.127 -1.372 1.00 0.00 H new ATOM 0 HD3 PRO A 40 18.663 4.258 -0.095 1.00 0.00 H new ATOM 696 N GLY A 41 15.740 5.129 -4.502 1.00 0.00 N ATOM 697 CA GLY A 41 15.082 4.661 -5.758 1.00 0.00 C ATOM 698 C GLY A 41 14.542 5.866 -6.530 1.00 0.00 C ATOM 699 O GLY A 41 14.707 5.967 -7.732 1.00 0.00 O ATOM 0 H GLY A 41 15.147 5.683 -3.885 1.00 0.00 H new ATOM 0 HA2 GLY A 41 15.796 4.112 -6.372 1.00 0.00 H new ATOM 0 HA3 GLY A 41 14.270 3.973 -5.521 1.00 0.00 H new ATOM 703 N GLY A 42 13.931 6.796 -5.841 1.00 0.00 N ATOM 704 CA GLY A 42 13.415 8.022 -6.520 1.00 0.00 C ATOM 705 C GLY A 42 11.991 8.308 -6.039 1.00 0.00 C ATOM 706 O GLY A 42 11.698 9.380 -5.545 1.00 0.00 O ATOM 0 H GLY A 42 13.767 6.759 -4.835 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.062 8.872 -6.302 1.00 0.00 H new ATOM 0 HA3 GLY A 42 13.425 7.884 -7.601 1.00 0.00 H new ATOM 710 N GLU A 43 11.118 7.339 -6.142 1.00 0.00 N ATOM 711 CA GLU A 43 9.721 7.526 -5.648 1.00 0.00 C ATOM 712 C GLU A 43 9.026 6.167 -5.512 1.00 0.00 C ATOM 713 O GLU A 43 8.844 5.662 -4.420 1.00 0.00 O ATOM 714 CB GLU A 43 9.033 8.378 -6.715 1.00 0.00 C ATOM 715 CG GLU A 43 9.105 9.854 -6.315 1.00 0.00 C ATOM 716 CD GLU A 43 7.866 10.584 -6.834 1.00 0.00 C ATOM 717 OE1 GLU A 43 7.683 10.617 -8.040 1.00 0.00 O ATOM 718 OE2 GLU A 43 7.119 11.099 -6.018 1.00 0.00 O ATOM 0 H GLU A 43 11.313 6.424 -6.548 1.00 0.00 H new ATOM 0 HA GLU A 43 9.688 8.001 -4.667 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.515 8.228 -7.681 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.993 8.071 -6.826 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.166 9.945 -5.231 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.007 10.309 -6.725 1.00 0.00 H new ATOM 725 N GLU A 44 8.676 5.558 -6.616 1.00 0.00 N ATOM 726 CA GLU A 44 8.039 4.208 -6.565 1.00 0.00 C ATOM 727 C GLU A 44 9.113 3.121 -6.472 1.00 0.00 C ATOM 728 O GLU A 44 9.596 2.629 -7.476 1.00 0.00 O ATOM 729 CB GLU A 44 7.262 4.083 -7.877 1.00 0.00 C ATOM 730 CG GLU A 44 6.203 5.190 -7.961 1.00 0.00 C ATOM 731 CD GLU A 44 6.703 6.317 -8.869 1.00 0.00 C ATOM 732 OE1 GLU A 44 7.899 6.557 -8.880 1.00 0.00 O ATOM 733 OE2 GLU A 44 5.880 6.920 -9.538 1.00 0.00 O ATOM 0 H GLU A 44 8.804 5.939 -7.553 1.00 0.00 H new ATOM 0 HA GLU A 44 7.391 4.091 -5.697 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.945 4.156 -8.723 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.784 3.105 -7.936 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.269 4.784 -8.350 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.991 5.580 -6.965 1.00 0.00 H new ATOM 740 N VAL A 45 9.457 2.715 -5.276 1.00 0.00 N ATOM 741 CA VAL A 45 10.466 1.624 -5.112 1.00 0.00 C ATOM 742 C VAL A 45 9.778 0.310 -4.719 1.00 0.00 C ATOM 743 O VAL A 45 10.279 -0.764 -4.994 1.00 0.00 O ATOM 744 CB VAL A 45 11.406 2.101 -3.998 1.00 0.00 C ATOM 745 CG1 VAL A 45 12.094 3.396 -4.433 1.00 0.00 C ATOM 746 CG2 VAL A 45 10.612 2.357 -2.712 1.00 0.00 C ATOM 0 H VAL A 45 9.083 3.092 -4.405 1.00 0.00 H new ATOM 0 HA VAL A 45 11.007 1.428 -6.038 1.00 0.00 H new ATOM 0 HB VAL A 45 12.153 1.330 -3.809 1.00 0.00 H new ATOM 0 HG11 VAL A 45 12.762 3.736 -3.642 1.00 0.00 H new ATOM 0 HG12 VAL A 45 12.669 3.215 -5.341 1.00 0.00 H new ATOM 0 HG13 VAL A 45 11.342 4.161 -4.626 1.00 0.00 H new ATOM 0 HG21 VAL A 45 11.289 2.695 -1.928 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.858 3.123 -2.896 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.123 1.435 -2.397 1.00 0.00 H new ATOM 756 N LEU A 46 8.614 0.389 -4.120 1.00 0.00 N ATOM 757 CA LEU A 46 7.870 -0.855 -3.756 1.00 0.00 C ATOM 758 C LEU A 46 7.255 -1.488 -5.009 1.00 0.00 C ATOM 759 O LEU A 46 6.052 -1.490 -5.190 1.00 0.00 O ATOM 760 CB LEU A 46 6.775 -0.401 -2.788 1.00 0.00 C ATOM 761 CG LEU A 46 7.256 -0.588 -1.345 1.00 0.00 C ATOM 762 CD1 LEU A 46 7.807 0.737 -0.813 1.00 0.00 C ATOM 763 CD2 LEU A 46 6.084 -1.039 -0.470 1.00 0.00 C ATOM 0 H LEU A 46 8.149 1.261 -3.868 1.00 0.00 H new ATOM 0 HA LEU A 46 8.519 -1.606 -3.306 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.528 0.645 -2.967 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.865 -0.977 -2.956 1.00 0.00 H new ATOM 0 HG LEU A 46 8.041 -1.344 -1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.149 0.603 0.213 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.642 1.059 -1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.023 1.494 -0.838 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.426 -1.172 0.556 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.299 -0.283 -0.496 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.691 -1.983 -0.847 1.00 0.00 H new ATOM 775 N ARG A 47 8.074 -2.060 -5.860 1.00 0.00 N ATOM 776 CA ARG A 47 7.554 -2.743 -7.092 1.00 0.00 C ATOM 777 C ARG A 47 6.639 -1.805 -7.889 1.00 0.00 C ATOM 778 O ARG A 47 5.463 -1.680 -7.602 1.00 0.00 O ATOM 779 CB ARG A 47 6.769 -3.956 -6.585 1.00 0.00 C ATOM 780 CG ARG A 47 7.711 -5.154 -6.448 1.00 0.00 C ATOM 781 CD ARG A 47 8.134 -5.634 -7.839 1.00 0.00 C ATOM 782 NE ARG A 47 9.582 -5.989 -7.708 1.00 0.00 N ATOM 783 CZ ARG A 47 10.354 -6.127 -8.768 1.00 0.00 C ATOM 784 NH1 ARG A 47 9.900 -5.916 -9.983 1.00 0.00 N ATOM 785 NH2 ARG A 47 11.600 -6.479 -8.606 1.00 0.00 N ATOM 0 H ARG A 47 9.088 -2.084 -5.754 1.00 0.00 H new ATOM 0 HA ARG A 47 8.363 -3.034 -7.762 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.310 -3.729 -5.623 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.960 -4.193 -7.276 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.589 -4.875 -5.866 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.214 -5.961 -5.909 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.545 -6.495 -8.155 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.986 -4.855 -8.586 1.00 0.00 H new ATOM 0 HE ARG A 47 9.980 -6.127 -6.779 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.929 -5.638 -10.123 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.519 -6.030 -10.786 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.966 -6.644 -7.668 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.208 -6.589 -9.417 1.00 0.00 H new ATOM 799 N GLU A 48 7.165 -1.179 -8.912 1.00 0.00 N ATOM 800 CA GLU A 48 6.320 -0.283 -9.762 1.00 0.00 C ATOM 801 C GLU A 48 5.192 -1.085 -10.416 1.00 0.00 C ATOM 802 O GLU A 48 5.277 -2.290 -10.556 1.00 0.00 O ATOM 803 CB GLU A 48 7.268 0.272 -10.829 1.00 0.00 C ATOM 804 CG GLU A 48 6.877 1.715 -11.157 1.00 0.00 C ATOM 805 CD GLU A 48 7.835 2.276 -12.209 1.00 0.00 C ATOM 806 OE1 GLU A 48 7.978 1.650 -13.247 1.00 0.00 O ATOM 807 OE2 GLU A 48 8.411 3.323 -11.960 1.00 0.00 O ATOM 0 H GLU A 48 8.142 -1.249 -9.196 1.00 0.00 H new ATOM 0 HA GLU A 48 5.853 0.512 -9.181 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.297 0.235 -10.471 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.221 -0.342 -11.728 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.852 1.750 -11.527 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.912 2.326 -10.255 1.00 0.00 H new ATOM 814 N GLN A 49 4.152 -0.417 -10.847 1.00 0.00 N ATOM 815 CA GLN A 49 3.030 -1.128 -11.532 1.00 0.00 C ATOM 816 C GLN A 49 2.521 -0.299 -12.716 1.00 0.00 C ATOM 817 O GLN A 49 2.158 0.853 -12.567 1.00 0.00 O ATOM 818 CB GLN A 49 1.938 -1.282 -10.466 1.00 0.00 C ATOM 819 CG GLN A 49 1.522 0.096 -9.937 1.00 0.00 C ATOM 820 CD GLN A 49 0.708 -0.076 -8.653 1.00 0.00 C ATOM 821 OE1 GLN A 49 -0.395 -0.585 -8.683 1.00 0.00 O ATOM 822 NE2 GLN A 49 1.208 0.331 -7.518 1.00 0.00 N ATOM 0 H GLN A 49 4.031 0.592 -10.754 1.00 0.00 H new ATOM 0 HA GLN A 49 3.339 -2.093 -11.933 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.074 -1.794 -10.890 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.304 -1.900 -9.646 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.405 0.704 -9.742 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.932 0.622 -10.687 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.134 0.758 -7.493 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.673 0.222 -6.657 1.00 0.00 H new ATOM 831 N ALA A 50 2.457 -0.892 -13.882 1.00 0.00 N ATOM 832 CA ALA A 50 1.930 -0.160 -15.073 1.00 0.00 C ATOM 833 C ALA A 50 1.164 -1.121 -15.986 1.00 0.00 C ATOM 834 O ALA A 50 1.074 -0.913 -17.182 1.00 0.00 O ATOM 835 CB ALA A 50 3.170 0.382 -15.785 1.00 0.00 C ATOM 0 H ALA A 50 2.748 -1.853 -14.060 1.00 0.00 H new ATOM 0 HA ALA A 50 1.238 0.636 -14.797 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.867 0.935 -16.674 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.714 1.046 -15.113 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.814 -0.448 -16.076 1.00 0.00 H new ATOM 841 N GLY A 51 0.580 -2.148 -15.423 1.00 0.00 N ATOM 842 CA GLY A 51 -0.222 -3.103 -16.244 1.00 0.00 C ATOM 843 C GLY A 51 -0.136 -4.501 -15.630 1.00 0.00 C ATOM 844 O GLY A 51 0.669 -5.318 -16.036 1.00 0.00 O ATOM 0 H GLY A 51 0.625 -2.366 -14.428 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.261 -2.777 -16.288 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.151 -3.121 -17.268 1.00 0.00 H new ATOM 848 N GLY A 52 -0.989 -4.794 -14.680 1.00 0.00 N ATOM 849 CA GLY A 52 -0.994 -6.153 -14.063 1.00 0.00 C ATOM 850 C GLY A 52 -1.542 -6.065 -12.638 1.00 0.00 C ATOM 851 O GLY A 52 -1.471 -5.031 -12.000 1.00 0.00 O ATOM 0 H GLY A 52 -1.683 -4.148 -14.305 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.605 -6.832 -14.658 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.016 -6.562 -14.051 1.00 0.00 H new ATOM 855 N ASP A 53 -2.053 -7.155 -12.123 1.00 0.00 N ATOM 856 CA ASP A 53 -2.569 -7.158 -10.719 1.00 0.00 C ATOM 857 C ASP A 53 -2.123 -8.431 -9.992 1.00 0.00 C ATOM 858 O ASP A 53 -2.836 -8.961 -9.162 1.00 0.00 O ATOM 859 CB ASP A 53 -4.096 -7.111 -10.850 1.00 0.00 C ATOM 860 CG ASP A 53 -4.592 -8.315 -11.659 1.00 0.00 C ATOM 861 OD1 ASP A 53 -4.465 -8.281 -12.871 1.00 0.00 O ATOM 862 OD2 ASP A 53 -5.087 -9.249 -11.050 1.00 0.00 O ATOM 0 H ASP A 53 -2.135 -8.045 -12.615 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.190 -6.316 -10.139 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.554 -7.114 -9.861 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.399 -6.185 -11.339 1.00 0.00 H new ATOM 867 N ALA A 54 -0.933 -8.897 -10.273 1.00 0.00 N ATOM 868 CA ALA A 54 -0.413 -10.110 -9.572 1.00 0.00 C ATOM 869 C ALA A 54 0.909 -9.789 -8.870 1.00 0.00 C ATOM 870 O ALA A 54 1.691 -8.984 -9.340 1.00 0.00 O ATOM 871 CB ALA A 54 -0.196 -11.143 -10.677 1.00 0.00 C ATOM 0 H ALA A 54 -0.298 -8.489 -10.959 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.100 -10.471 -8.806 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.187 -12.066 -10.242 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.143 -11.343 -11.179 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.523 -10.757 -11.400 1.00 0.00 H new ATOM 877 N THR A 55 1.178 -10.442 -7.768 1.00 0.00 N ATOM 878 CA THR A 55 2.469 -10.213 -7.051 1.00 0.00 C ATOM 879 C THR A 55 3.308 -11.494 -7.050 1.00 0.00 C ATOM 880 O THR A 55 3.126 -12.364 -6.219 1.00 0.00 O ATOM 881 CB THR A 55 2.067 -9.834 -5.624 1.00 0.00 C ATOM 882 OG1 THR A 55 0.979 -8.922 -5.667 1.00 0.00 O ATOM 883 CG2 THR A 55 3.255 -9.182 -4.914 1.00 0.00 C ATOM 0 H THR A 55 0.558 -11.125 -7.333 1.00 0.00 H new ATOM 0 HA THR A 55 3.073 -9.439 -7.524 1.00 0.00 H new ATOM 0 HB THR A 55 1.769 -10.730 -5.080 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.719 -8.680 -4.754 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.968 -8.912 -3.898 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.089 -9.883 -4.882 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.556 -8.285 -5.456 1.00 0.00 H new ATOM 891 N GLU A 56 4.250 -11.595 -7.954 1.00 0.00 N ATOM 892 CA GLU A 56 5.137 -12.797 -7.987 1.00 0.00 C ATOM 893 C GLU A 56 6.276 -12.642 -6.974 1.00 0.00 C ATOM 894 O GLU A 56 6.552 -13.537 -6.199 1.00 0.00 O ATOM 895 CB GLU A 56 5.690 -12.840 -9.412 1.00 0.00 C ATOM 896 CG GLU A 56 4.817 -13.759 -10.270 1.00 0.00 C ATOM 897 CD GLU A 56 3.431 -13.132 -10.441 1.00 0.00 C ATOM 898 OE1 GLU A 56 2.600 -13.336 -9.572 1.00 0.00 O ATOM 899 OE2 GLU A 56 3.226 -12.461 -11.439 1.00 0.00 O ATOM 0 H GLU A 56 4.443 -10.896 -8.671 1.00 0.00 H new ATOM 0 HA GLU A 56 4.604 -13.712 -7.728 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.708 -11.836 -9.837 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.718 -13.201 -9.404 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.281 -13.914 -11.244 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.729 -14.738 -9.800 1.00 0.00 H new ATOM 906 N ASN A 57 6.909 -11.497 -6.954 1.00 0.00 N ATOM 907 CA ASN A 57 8.003 -11.256 -5.963 1.00 0.00 C ATOM 908 C ASN A 57 7.536 -10.270 -4.887 1.00 0.00 C ATOM 909 O ASN A 57 7.156 -9.152 -5.181 1.00 0.00 O ATOM 910 CB ASN A 57 9.162 -10.669 -6.775 1.00 0.00 C ATOM 911 CG ASN A 57 8.714 -9.381 -7.476 1.00 0.00 C ATOM 912 OD1 ASN A 57 8.758 -8.314 -6.898 1.00 0.00 O ATOM 913 ND2 ASN A 57 8.282 -9.439 -8.707 1.00 0.00 N ATOM 0 H ASN A 57 6.716 -10.717 -7.582 1.00 0.00 H new ATOM 0 HA ASN A 57 8.298 -12.169 -5.446 1.00 0.00 H new ATOM 0 HB2 ASN A 57 10.007 -10.460 -6.119 1.00 0.00 H new ATOM 0 HB3 ASN A 57 9.503 -11.395 -7.513 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.982 -8.588 -9.183 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.245 -10.335 -9.193 1.00 0.00 H new ATOM 920 N PHE A 58 7.601 -10.664 -3.641 1.00 0.00 N ATOM 921 CA PHE A 58 7.205 -9.743 -2.535 1.00 0.00 C ATOM 922 C PHE A 58 8.378 -8.831 -2.161 1.00 0.00 C ATOM 923 O PHE A 58 9.310 -8.662 -2.924 1.00 0.00 O ATOM 924 CB PHE A 58 6.843 -10.659 -1.366 1.00 0.00 C ATOM 925 CG PHE A 58 5.698 -10.057 -0.586 1.00 0.00 C ATOM 926 CD1 PHE A 58 4.500 -9.738 -1.237 1.00 0.00 C ATOM 927 CD2 PHE A 58 5.835 -9.817 0.786 1.00 0.00 C ATOM 928 CE1 PHE A 58 3.439 -9.179 -0.515 1.00 0.00 C ATOM 929 CE2 PHE A 58 4.775 -9.257 1.508 1.00 0.00 C ATOM 930 CZ PHE A 58 3.577 -8.939 0.858 1.00 0.00 C ATOM 0 H PHE A 58 7.913 -11.588 -3.342 1.00 0.00 H new ATOM 0 HA PHE A 58 6.375 -9.094 -2.815 1.00 0.00 H new ATOM 0 HB2 PHE A 58 6.565 -11.646 -1.737 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.707 -10.795 -0.716 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.395 -9.923 -2.296 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.759 -10.064 1.288 1.00 0.00 H new ATOM 0 HE1 PHE A 58 2.515 -8.933 -1.016 1.00 0.00 H new ATOM 0 HE2 PHE A 58 4.881 -9.070 2.566 1.00 0.00 H new ATOM 0 HZ PHE A 58 2.758 -8.508 1.415 1.00 0.00 H new ATOM 940 N GLU A 59 8.354 -8.275 -0.976 1.00 0.00 N ATOM 941 CA GLU A 59 9.485 -7.409 -0.525 1.00 0.00 C ATOM 942 C GLU A 59 10.652 -8.273 -0.040 1.00 0.00 C ATOM 943 O GLU A 59 11.803 -7.894 -0.154 1.00 0.00 O ATOM 944 CB GLU A 59 8.915 -6.581 0.627 1.00 0.00 C ATOM 945 CG GLU A 59 7.869 -5.605 0.087 1.00 0.00 C ATOM 946 CD GLU A 59 8.560 -4.523 -0.745 1.00 0.00 C ATOM 947 OE1 GLU A 59 9.151 -3.635 -0.153 1.00 0.00 O ATOM 948 OE2 GLU A 59 8.487 -4.601 -1.961 1.00 0.00 O ATOM 0 H GLU A 59 7.598 -8.384 -0.300 1.00 0.00 H new ATOM 0 HA GLU A 59 9.869 -6.780 -1.328 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.465 -7.237 1.372 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.715 -6.034 1.126 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.140 -6.138 -0.524 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.321 -5.150 0.912 1.00 0.00 H new ATOM 955 N ASP A 60 10.363 -9.447 0.463 1.00 0.00 N ATOM 956 CA ASP A 60 11.456 -10.362 0.917 1.00 0.00 C ATOM 957 C ASP A 60 12.349 -10.745 -0.268 1.00 0.00 C ATOM 958 O ASP A 60 13.532 -10.978 -0.112 1.00 0.00 O ATOM 959 CB ASP A 60 10.744 -11.598 1.472 1.00 0.00 C ATOM 960 CG ASP A 60 11.687 -12.351 2.413 1.00 0.00 C ATOM 961 OD1 ASP A 60 12.089 -11.769 3.407 1.00 0.00 O ATOM 962 OD2 ASP A 60 11.993 -13.495 2.121 1.00 0.00 O ATOM 0 H ASP A 60 9.418 -9.812 0.579 1.00 0.00 H new ATOM 0 HA ASP A 60 12.098 -9.895 1.664 1.00 0.00 H new ATOM 0 HB2 ASP A 60 9.841 -11.302 2.006 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.432 -12.249 0.655 1.00 0.00 H new ATOM 967 N VAL A 61 11.795 -10.773 -1.453 1.00 0.00 N ATOM 968 CA VAL A 61 12.613 -11.095 -2.661 1.00 0.00 C ATOM 969 C VAL A 61 12.576 -9.924 -3.651 1.00 0.00 C ATOM 970 O VAL A 61 11.564 -9.269 -3.812 1.00 0.00 O ATOM 971 CB VAL A 61 11.959 -12.349 -3.259 1.00 0.00 C ATOM 972 CG1 VAL A 61 10.504 -12.051 -3.641 1.00 0.00 C ATOM 973 CG2 VAL A 61 12.734 -12.790 -4.506 1.00 0.00 C ATOM 0 H VAL A 61 10.809 -10.586 -1.636 1.00 0.00 H new ATOM 0 HA VAL A 61 13.663 -11.266 -2.423 1.00 0.00 H new ATOM 0 HB VAL A 61 11.978 -13.147 -2.517 1.00 0.00 H new ATOM 0 HG11 VAL A 61 10.048 -12.946 -4.064 1.00 0.00 H new ATOM 0 HG12 VAL A 61 9.950 -11.747 -2.753 1.00 0.00 H new ATOM 0 HG13 VAL A 61 10.478 -11.248 -4.378 1.00 0.00 H new ATOM 0 HG21 VAL A 61 12.268 -13.680 -4.928 1.00 0.00 H new ATOM 0 HG22 VAL A 61 12.721 -11.989 -5.245 1.00 0.00 H new ATOM 0 HG23 VAL A 61 13.765 -13.015 -4.233 1.00 0.00 H new ATOM 983 N GLY A 62 13.665 -9.685 -4.338 1.00 0.00 N ATOM 984 CA GLY A 62 13.691 -8.589 -5.351 1.00 0.00 C ATOM 985 C GLY A 62 14.967 -7.763 -5.177 1.00 0.00 C ATOM 986 O GLY A 62 15.551 -7.300 -6.140 1.00 0.00 O ATOM 0 H GLY A 62 14.538 -10.203 -4.240 1.00 0.00 H new ATOM 0 HA2 GLY A 62 13.651 -9.008 -6.357 1.00 0.00 H new ATOM 0 HA3 GLY A 62 12.814 -7.952 -5.236 1.00 0.00 H new ATOM 990 N HIS A 63 15.421 -7.608 -3.959 1.00 0.00 N ATOM 991 CA HIS A 63 16.685 -6.850 -3.716 1.00 0.00 C ATOM 992 C HIS A 63 17.897 -7.758 -3.941 1.00 0.00 C ATOM 993 O HIS A 63 18.954 -7.308 -4.341 1.00 0.00 O ATOM 994 CB HIS A 63 16.607 -6.411 -2.254 1.00 0.00 C ATOM 995 CG HIS A 63 15.970 -5.050 -2.171 1.00 0.00 C ATOM 996 ND1 HIS A 63 16.246 -4.048 -3.087 1.00 0.00 N ATOM 997 CD2 HIS A 63 15.069 -4.512 -1.287 1.00 0.00 C ATOM 998 CE1 HIS A 63 15.523 -2.969 -2.738 1.00 0.00 C ATOM 999 NE2 HIS A 63 14.787 -3.198 -1.647 1.00 0.00 N ATOM 0 H HIS A 63 14.970 -7.975 -3.121 1.00 0.00 H new ATOM 0 HA HIS A 63 16.795 -6.001 -4.391 1.00 0.00 H new ATOM 0 HB2 HIS A 63 16.027 -7.131 -1.678 1.00 0.00 H new ATOM 0 HB3 HIS A 63 17.606 -6.384 -1.818 1.00 0.00 H new ATOM 0 HD1 HIS A 63 16.882 -4.116 -3.882 1.00 0.00 H new ATOM 0 HD2 HIS A 63 14.643 -5.030 -0.440 1.00 0.00 H new ATOM 0 HE1 HIS A 63 15.536 -2.032 -3.274 1.00 0.00 H new ATOM 1007 N SER A 64 17.740 -9.043 -3.721 1.00 0.00 N ATOM 1008 CA SER A 64 18.864 -10.008 -3.958 1.00 0.00 C ATOM 1009 C SER A 64 20.130 -9.563 -3.214 1.00 0.00 C ATOM 1010 O SER A 64 21.219 -9.590 -3.756 1.00 0.00 O ATOM 1011 CB SER A 64 19.099 -9.998 -5.470 1.00 0.00 C ATOM 1012 OG SER A 64 19.716 -11.219 -5.857 1.00 0.00 O ATOM 0 H SER A 64 16.876 -9.468 -3.385 1.00 0.00 H new ATOM 0 HA SER A 64 18.620 -11.005 -3.592 1.00 0.00 H new ATOM 0 HB2 SER A 64 18.153 -9.873 -5.996 1.00 0.00 H new ATOM 0 HB3 SER A 64 19.731 -9.154 -5.746 1.00 0.00 H new ATOM 0 HG SER A 64 19.867 -11.217 -6.825 1.00 0.00 H new ATOM 1018 N THR A 65 19.995 -9.195 -1.965 1.00 0.00 N ATOM 1019 CA THR A 65 21.190 -8.792 -1.162 1.00 0.00 C ATOM 1020 C THR A 65 20.823 -8.677 0.322 1.00 0.00 C ATOM 1021 O THR A 65 21.568 -9.097 1.186 1.00 0.00 O ATOM 1022 CB THR A 65 21.617 -7.430 -1.724 1.00 0.00 C ATOM 1023 OG1 THR A 65 22.738 -6.951 -0.995 1.00 0.00 O ATOM 1024 CG2 THR A 65 20.465 -6.426 -1.604 1.00 0.00 C ATOM 0 H THR A 65 19.107 -9.156 -1.465 1.00 0.00 H new ATOM 0 HA THR A 65 21.994 -9.525 -1.230 1.00 0.00 H new ATOM 0 HB THR A 65 21.881 -7.545 -2.775 1.00 0.00 H new ATOM 0 HG1 THR A 65 23.014 -6.081 -1.353 1.00 0.00 H new ATOM 0 HG21 THR A 65 20.779 -5.463 -2.006 1.00 0.00 H new ATOM 0 HG22 THR A 65 19.605 -6.791 -2.165 1.00 0.00 H new ATOM 0 HG23 THR A 65 20.191 -6.310 -0.555 1.00 0.00 H new ATOM 1032 N ASP A 66 19.661 -8.148 0.617 1.00 0.00 N ATOM 1033 CA ASP A 66 19.218 -8.044 2.039 1.00 0.00 C ATOM 1034 C ASP A 66 17.752 -8.466 2.169 1.00 0.00 C ATOM 1035 O ASP A 66 16.992 -8.396 1.221 1.00 0.00 O ATOM 1036 CB ASP A 66 19.386 -6.568 2.399 1.00 0.00 C ATOM 1037 CG ASP A 66 20.838 -6.301 2.799 1.00 0.00 C ATOM 1038 OD1 ASP A 66 21.712 -6.555 1.986 1.00 0.00 O ATOM 1039 OD2 ASP A 66 21.052 -5.846 3.911 1.00 0.00 O ATOM 0 H ASP A 66 19.000 -7.783 -0.069 1.00 0.00 H new ATOM 0 HA ASP A 66 19.794 -8.692 2.700 1.00 0.00 H new ATOM 0 HB2 ASP A 66 19.111 -5.942 1.550 1.00 0.00 H new ATOM 0 HB3 ASP A 66 18.718 -6.305 3.219 1.00 0.00 H new ATOM 1044 N ALA A 67 17.344 -8.865 3.346 1.00 0.00 N ATOM 1045 CA ALA A 67 15.917 -9.251 3.560 1.00 0.00 C ATOM 1046 C ALA A 67 15.063 -8.004 3.806 1.00 0.00 C ATOM 1047 O ALA A 67 14.175 -7.692 3.039 1.00 0.00 O ATOM 1048 CB ALA A 67 15.929 -10.146 4.799 1.00 0.00 C ATOM 0 H ALA A 67 17.940 -8.940 4.171 1.00 0.00 H new ATOM 0 HA ALA A 67 15.493 -9.760 2.695 1.00 0.00 H new ATOM 0 HB1 ALA A 67 14.913 -10.472 5.022 1.00 0.00 H new ATOM 0 HB2 ALA A 67 16.557 -11.017 4.612 1.00 0.00 H new ATOM 0 HB3 ALA A 67 16.325 -9.588 5.647 1.00 0.00 H new ATOM 1054 N ARG A 68 15.358 -7.270 4.852 1.00 0.00 N ATOM 1055 CA ARG A 68 14.605 -6.008 5.153 1.00 0.00 C ATOM 1056 C ARG A 68 13.096 -6.286 5.274 1.00 0.00 C ATOM 1057 O ARG A 68 12.598 -6.538 6.355 1.00 0.00 O ATOM 1058 CB ARG A 68 14.908 -5.052 3.989 1.00 0.00 C ATOM 1059 CG ARG A 68 16.198 -4.282 4.283 1.00 0.00 C ATOM 1060 CD ARG A 68 15.896 -3.127 5.240 1.00 0.00 C ATOM 1061 NE ARG A 68 17.131 -2.284 5.235 1.00 0.00 N ATOM 1062 CZ ARG A 68 17.103 -1.019 5.607 1.00 0.00 C ATOM 1063 NH1 ARG A 68 15.999 -0.455 6.042 1.00 0.00 N ATOM 1064 NH2 ARG A 68 18.198 -0.312 5.545 1.00 0.00 N ATOM 0 H ARG A 68 16.097 -7.493 5.519 1.00 0.00 H new ATOM 0 HA ARG A 68 14.910 -5.575 6.106 1.00 0.00 H new ATOM 0 HB2 ARG A 68 15.011 -5.614 3.061 1.00 0.00 H new ATOM 0 HB3 ARG A 68 14.080 -4.356 3.851 1.00 0.00 H new ATOM 0 HG2 ARG A 68 16.940 -4.949 4.723 1.00 0.00 H new ATOM 0 HG3 ARG A 68 16.624 -3.898 3.356 1.00 0.00 H new ATOM 0 HD2 ARG A 68 15.028 -2.557 4.908 1.00 0.00 H new ATOM 0 HD3 ARG A 68 15.673 -3.493 6.242 1.00 0.00 H new ATOM 0 HE ARG A 68 18.015 -2.697 4.937 1.00 0.00 H new ATOM 0 HH11 ARG A 68 15.137 -0.997 6.098 1.00 0.00 H new ATOM 0 HH12 ARG A 68 16.004 0.525 6.324 1.00 0.00 H new ATOM 0 HH21 ARG A 68 19.062 -0.739 5.212 1.00 0.00 H new ATOM 0 HH22 ARG A 68 18.190 0.667 5.830 1.00 0.00 H new ATOM 1078 N GLU A 69 12.367 -6.281 4.177 1.00 0.00 N ATOM 1079 CA GLU A 69 10.898 -6.587 4.228 1.00 0.00 C ATOM 1080 C GLU A 69 10.193 -5.697 5.259 1.00 0.00 C ATOM 1081 O GLU A 69 9.431 -6.171 6.081 1.00 0.00 O ATOM 1082 CB GLU A 69 10.803 -8.060 4.636 1.00 0.00 C ATOM 1083 CG GLU A 69 9.536 -8.675 4.037 1.00 0.00 C ATOM 1084 CD GLU A 69 9.196 -9.969 4.780 1.00 0.00 C ATOM 1085 OE1 GLU A 69 8.858 -9.885 5.949 1.00 0.00 O ATOM 1086 OE2 GLU A 69 9.278 -11.020 4.167 1.00 0.00 O ATOM 0 H GLU A 69 12.729 -6.077 3.246 1.00 0.00 H new ATOM 0 HA GLU A 69 10.414 -6.399 3.270 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.682 -8.602 4.288 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.784 -8.147 5.722 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.707 -7.971 4.112 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.685 -8.880 2.977 1.00 0.00 H new ATOM 1093 N LEU A 70 10.412 -4.408 5.192 1.00 0.00 N ATOM 1094 CA LEU A 70 9.724 -3.476 6.135 1.00 0.00 C ATOM 1095 C LEU A 70 8.392 -3.005 5.541 1.00 0.00 C ATOM 1096 O LEU A 70 8.120 -1.822 5.466 1.00 0.00 O ATOM 1097 CB LEU A 70 10.688 -2.295 6.316 1.00 0.00 C ATOM 1098 CG LEU A 70 10.964 -1.617 4.962 1.00 0.00 C ATOM 1099 CD1 LEU A 70 10.820 -0.099 5.106 1.00 0.00 C ATOM 1100 CD2 LEU A 70 12.387 -1.950 4.496 1.00 0.00 C ATOM 0 H LEU A 70 11.039 -3.961 4.523 1.00 0.00 H new ATOM 0 HA LEU A 70 9.492 -3.954 7.087 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.262 -1.572 7.012 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.624 -2.644 6.753 1.00 0.00 H new ATOM 0 HG LEU A 70 10.247 -1.983 4.227 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.016 0.378 4.146 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.808 0.141 5.430 1.00 0.00 H new ATOM 0 HD13 LEU A 70 11.534 0.266 5.845 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.578 -1.468 3.537 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.105 -1.589 5.233 1.00 0.00 H new ATOM 0 HD23 LEU A 70 12.491 -3.030 4.386 1.00 0.00 H new ATOM 1112 N SER A 71 7.547 -3.929 5.157 1.00 0.00 N ATOM 1113 CA SER A 71 6.209 -3.549 4.611 1.00 0.00 C ATOM 1114 C SER A 71 5.135 -3.683 5.695 1.00 0.00 C ATOM 1115 O SER A 71 4.131 -2.996 5.671 1.00 0.00 O ATOM 1116 CB SER A 71 5.948 -4.536 3.475 1.00 0.00 C ATOM 1117 OG SER A 71 6.336 -5.841 3.887 1.00 0.00 O ATOM 0 H SER A 71 7.727 -4.932 5.198 1.00 0.00 H new ATOM 0 HA SER A 71 6.184 -2.515 4.266 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.892 -4.526 3.205 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.507 -4.242 2.587 1.00 0.00 H new ATOM 0 HG SER A 71 6.168 -6.477 3.160 1.00 0.00 H new ATOM 1123 N LYS A 72 5.349 -4.547 6.656 1.00 0.00 N ATOM 1124 CA LYS A 72 4.353 -4.712 7.760 1.00 0.00 C ATOM 1125 C LYS A 72 4.539 -3.627 8.831 1.00 0.00 C ATOM 1126 O LYS A 72 3.623 -3.310 9.565 1.00 0.00 O ATOM 1127 CB LYS A 72 4.621 -6.106 8.345 1.00 0.00 C ATOM 1128 CG LYS A 72 6.059 -6.198 8.866 1.00 0.00 C ATOM 1129 CD LYS A 72 6.160 -7.335 9.886 1.00 0.00 C ATOM 1130 CE LYS A 72 5.567 -6.877 11.221 1.00 0.00 C ATOM 1131 NZ LYS A 72 5.137 -8.131 11.900 1.00 0.00 N ATOM 0 H LYS A 72 6.172 -5.146 6.724 1.00 0.00 H new ATOM 0 HA LYS A 72 3.330 -4.615 7.398 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.920 -6.309 9.155 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.454 -6.866 7.582 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.746 -6.375 8.039 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.351 -5.254 9.327 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.627 -8.213 9.521 1.00 0.00 H new ATOM 0 HD3 LYS A 72 7.202 -7.627 10.020 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.304 -6.338 11.816 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.725 -6.202 11.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.719 -7.900 12.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.431 -8.619 11.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.960 -8.751 12.038 1.00 0.00 H new ATOM 1145 N THR A 73 5.713 -3.049 8.915 1.00 0.00 N ATOM 1146 CA THR A 73 5.954 -1.974 9.928 1.00 0.00 C ATOM 1147 C THR A 73 5.696 -0.587 9.327 1.00 0.00 C ATOM 1148 O THR A 73 5.447 0.368 10.039 1.00 0.00 O ATOM 1149 CB THR A 73 7.429 -2.120 10.329 1.00 0.00 C ATOM 1150 OG1 THR A 73 7.751 -1.130 11.296 1.00 0.00 O ATOM 1151 CG2 THR A 73 8.340 -1.953 9.107 1.00 0.00 C ATOM 0 H THR A 73 6.514 -3.275 8.326 1.00 0.00 H new ATOM 0 HA THR A 73 5.285 -2.071 10.783 1.00 0.00 H new ATOM 0 HB THR A 73 7.583 -3.115 10.746 1.00 0.00 H new ATOM 0 HG1 THR A 73 8.692 -1.220 11.556 1.00 0.00 H new ATOM 0 HG21 THR A 73 9.381 -2.060 9.412 1.00 0.00 H new ATOM 0 HG22 THR A 73 8.099 -2.715 8.366 1.00 0.00 H new ATOM 0 HG23 THR A 73 8.189 -0.965 8.673 1.00 0.00 H new ATOM 1159 N TYR A 74 5.776 -0.466 8.026 1.00 0.00 N ATOM 1160 CA TYR A 74 5.561 0.860 7.376 1.00 0.00 C ATOM 1161 C TYR A 74 4.136 0.958 6.820 1.00 0.00 C ATOM 1162 O TYR A 74 3.933 1.303 5.671 1.00 0.00 O ATOM 1163 CB TYR A 74 6.588 0.896 6.238 1.00 0.00 C ATOM 1164 CG TYR A 74 7.923 1.434 6.730 1.00 0.00 C ATOM 1165 CD1 TYR A 74 8.419 1.089 8.000 1.00 0.00 C ATOM 1166 CD2 TYR A 74 8.669 2.278 5.901 1.00 0.00 C ATOM 1167 CE1 TYR A 74 9.654 1.591 8.430 1.00 0.00 C ATOM 1168 CE2 TYR A 74 9.904 2.778 6.333 1.00 0.00 C ATOM 1169 CZ TYR A 74 10.395 2.434 7.598 1.00 0.00 C ATOM 1170 OH TYR A 74 11.612 2.928 8.021 1.00 0.00 O ATOM 0 H TYR A 74 5.982 -1.232 7.385 1.00 0.00 H new ATOM 0 HA TYR A 74 5.681 1.691 8.071 1.00 0.00 H new ATOM 0 HB2 TYR A 74 6.723 -0.107 5.832 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.216 1.521 5.426 1.00 0.00 H new ATOM 0 HD1 TYR A 74 7.848 0.437 8.644 1.00 0.00 H new ATOM 0 HD2 TYR A 74 8.292 2.545 4.925 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.034 1.326 9.406 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.478 3.429 5.690 1.00 0.00 H new ATOM 0 HH TYR A 74 12.102 3.291 7.254 1.00 0.00 H new ATOM 1180 N ILE A 75 3.150 0.668 7.632 1.00 0.00 N ATOM 1181 CA ILE A 75 1.734 0.756 7.155 1.00 0.00 C ATOM 1182 C ILE A 75 0.976 1.837 7.932 1.00 0.00 C ATOM 1183 O ILE A 75 1.426 2.305 8.961 1.00 0.00 O ATOM 1184 CB ILE A 75 1.111 -0.621 7.424 1.00 0.00 C ATOM 1185 CG1 ILE A 75 1.991 -1.728 6.825 1.00 0.00 C ATOM 1186 CG2 ILE A 75 -0.276 -0.674 6.779 1.00 0.00 C ATOM 1187 CD1 ILE A 75 1.424 -3.099 7.205 1.00 0.00 C ATOM 0 H ILE A 75 3.263 0.375 8.602 1.00 0.00 H new ATOM 0 HA ILE A 75 1.686 1.020 6.099 1.00 0.00 H new ATOM 0 HB ILE A 75 1.032 -0.775 8.500 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.030 -1.628 5.740 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.013 -1.632 7.191 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.727 -1.649 6.965 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.907 0.105 7.208 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.184 -0.516 5.704 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.050 -3.883 6.779 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.408 -3.198 8.290 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.410 -3.194 6.817 1.00 0.00 H new ATOM 1199 N ILE A 76 -0.185 2.214 7.456 1.00 0.00 N ATOM 1200 CA ILE A 76 -1.001 3.243 8.175 1.00 0.00 C ATOM 1201 C ILE A 76 -2.451 2.767 8.353 1.00 0.00 C ATOM 1202 O ILE A 76 -3.066 3.011 9.374 1.00 0.00 O ATOM 1203 CB ILE A 76 -0.945 4.499 7.296 1.00 0.00 C ATOM 1204 CG1 ILE A 76 -1.417 4.170 5.869 1.00 0.00 C ATOM 1205 CG2 ILE A 76 0.495 5.014 7.252 1.00 0.00 C ATOM 1206 CD1 ILE A 76 -1.425 5.439 5.014 1.00 0.00 C ATOM 0 H ILE A 76 -0.604 1.853 6.599 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.614 3.433 9.176 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.600 5.262 7.716 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.759 3.425 5.422 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.416 3.736 5.899 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.543 5.907 6.629 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.825 5.258 8.262 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.144 4.244 6.834 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.760 5.196 4.006 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.102 6.171 5.455 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.419 5.855 4.971 1.00 0.00 H new ATOM 1218 N GLY A 77 -2.992 2.077 7.378 1.00 0.00 N ATOM 1219 CA GLY A 77 -4.390 1.569 7.500 1.00 0.00 C ATOM 1220 C GLY A 77 -4.739 0.745 6.261 1.00 0.00 C ATOM 1221 O GLY A 77 -3.870 0.202 5.605 1.00 0.00 O ATOM 0 H GLY A 77 -2.523 1.845 6.503 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.490 0.958 8.397 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.084 2.403 7.603 1.00 0.00 H new ATOM 1225 N GLU A 78 -5.999 0.690 5.907 1.00 0.00 N ATOM 1226 CA GLU A 78 -6.400 -0.050 4.674 1.00 0.00 C ATOM 1227 C GLU A 78 -7.200 0.861 3.741 1.00 0.00 C ATOM 1228 O GLU A 78 -7.400 2.027 4.020 1.00 0.00 O ATOM 1229 CB GLU A 78 -7.273 -1.204 5.161 1.00 0.00 C ATOM 1230 CG GLU A 78 -6.387 -2.390 5.547 1.00 0.00 C ATOM 1231 CD GLU A 78 -7.266 -3.586 5.917 1.00 0.00 C ATOM 1232 OE1 GLU A 78 -8.190 -3.870 5.173 1.00 0.00 O ATOM 1233 OE2 GLU A 78 -7.000 -4.198 6.938 1.00 0.00 O ATOM 0 H GLU A 78 -6.766 1.126 6.419 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.534 -0.402 4.113 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -7.868 -0.887 6.018 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.973 -1.499 4.379 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.730 -2.651 4.718 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.748 -2.121 6.388 1.00 0.00 H new ATOM 1240 N LEU A 79 -7.710 0.315 2.666 1.00 0.00 N ATOM 1241 CA LEU A 79 -8.563 1.122 1.743 1.00 0.00 C ATOM 1242 C LEU A 79 -10.039 0.769 1.946 1.00 0.00 C ATOM 1243 O LEU A 79 -10.368 -0.306 2.410 1.00 0.00 O ATOM 1244 CB LEU A 79 -8.106 0.733 0.336 1.00 0.00 C ATOM 1245 CG LEU A 79 -8.872 1.561 -0.699 1.00 0.00 C ATOM 1246 CD1 LEU A 79 -7.949 1.898 -1.871 1.00 0.00 C ATOM 1247 CD2 LEU A 79 -10.070 0.760 -1.213 1.00 0.00 C ATOM 0 H LEU A 79 -7.572 -0.657 2.388 1.00 0.00 H new ATOM 0 HA LEU A 79 -8.465 2.193 1.920 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.034 0.902 0.231 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -8.279 -0.330 0.167 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.222 2.482 -0.234 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.496 2.487 -2.607 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.095 2.471 -1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.597 0.976 -2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.614 1.351 -1.950 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.719 -0.163 -1.675 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.731 0.520 -0.380 1.00 0.00 H new ATOM 1259 N HIS A 80 -10.927 1.652 1.564 1.00 0.00 N ATOM 1260 CA HIS A 80 -12.387 1.356 1.688 1.00 0.00 C ATOM 1261 C HIS A 80 -12.841 0.433 0.541 1.00 0.00 C ATOM 1262 O HIS A 80 -12.815 0.834 -0.604 1.00 0.00 O ATOM 1263 CB HIS A 80 -13.077 2.717 1.577 1.00 0.00 C ATOM 1264 CG HIS A 80 -14.422 2.654 2.245 1.00 0.00 C ATOM 1265 ND1 HIS A 80 -15.168 1.486 2.296 1.00 0.00 N ATOM 1266 CD2 HIS A 80 -15.170 3.605 2.894 1.00 0.00 C ATOM 1267 CE1 HIS A 80 -16.309 1.761 2.954 1.00 0.00 C ATOM 1268 NE2 HIS A 80 -16.361 3.039 3.341 1.00 0.00 N ATOM 0 H HIS A 80 -10.704 2.566 1.171 1.00 0.00 H new ATOM 0 HA HIS A 80 -12.627 0.849 2.622 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -12.463 3.487 2.044 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -13.192 2.994 0.529 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -14.879 4.635 3.036 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -17.087 1.037 3.146 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -17.112 3.501 3.854 1.00 0.00 H new ATOM 1276 N PRO A 81 -13.243 -0.782 0.873 1.00 0.00 N ATOM 1277 CA PRO A 81 -13.698 -1.743 -0.174 1.00 0.00 C ATOM 1278 C PRO A 81 -14.787 -1.120 -1.063 1.00 0.00 C ATOM 1279 O PRO A 81 -14.966 -1.512 -2.200 1.00 0.00 O ATOM 1280 CB PRO A 81 -14.268 -2.909 0.630 1.00 0.00 C ATOM 1281 CG PRO A 81 -13.581 -2.836 1.952 1.00 0.00 C ATOM 1282 CD PRO A 81 -13.313 -1.380 2.219 1.00 0.00 C ATOM 0 HA PRO A 81 -12.894 -2.039 -0.847 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -15.349 -2.821 0.741 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -14.075 -3.861 0.136 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -14.204 -3.265 2.736 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -12.651 -3.404 1.937 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -14.107 -0.930 2.816 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.382 -1.239 2.768 1.00 0.00 H new ATOM 1290 N ASP A 82 -15.493 -0.140 -0.557 1.00 0.00 N ATOM 1291 CA ASP A 82 -16.552 0.530 -1.376 1.00 0.00 C ATOM 1292 C ASP A 82 -15.950 1.128 -2.653 1.00 0.00 C ATOM 1293 O ASP A 82 -16.624 1.267 -3.656 1.00 0.00 O ATOM 1294 CB ASP A 82 -17.112 1.640 -0.483 1.00 0.00 C ATOM 1295 CG ASP A 82 -18.341 2.260 -1.148 1.00 0.00 C ATOM 1296 OD1 ASP A 82 -18.169 3.196 -1.912 1.00 0.00 O ATOM 1297 OD2 ASP A 82 -19.436 1.791 -0.882 1.00 0.00 O ATOM 0 H ASP A 82 -15.382 0.226 0.389 1.00 0.00 H new ATOM 0 HA ASP A 82 -17.324 -0.172 -1.689 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -17.379 1.236 0.493 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -16.353 2.404 -0.315 1.00 0.00 H new ATOM 1302 N ASP A 83 -14.679 1.448 -2.632 1.00 0.00 N ATOM 1303 CA ASP A 83 -14.023 1.999 -3.855 1.00 0.00 C ATOM 1304 C ASP A 83 -13.076 0.961 -4.462 1.00 0.00 C ATOM 1305 O ASP A 83 -12.883 0.915 -5.662 1.00 0.00 O ATOM 1306 CB ASP A 83 -13.244 3.220 -3.368 1.00 0.00 C ATOM 1307 CG ASP A 83 -14.217 4.261 -2.813 1.00 0.00 C ATOM 1308 OD1 ASP A 83 -15.197 4.543 -3.482 1.00 0.00 O ATOM 1309 OD2 ASP A 83 -13.967 4.759 -1.727 1.00 0.00 O ATOM 0 H ASP A 83 -14.069 1.351 -1.820 1.00 0.00 H new ATOM 0 HA ASP A 83 -14.744 2.259 -4.630 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.532 2.926 -2.597 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -12.667 3.647 -4.189 1.00 0.00 H new ATOM 1314 N ARG A 84 -12.532 0.090 -3.647 1.00 0.00 N ATOM 1315 CA ARG A 84 -11.650 -0.995 -4.183 1.00 0.00 C ATOM 1316 C ARG A 84 -12.440 -1.874 -5.157 1.00 0.00 C ATOM 1317 O ARG A 84 -12.216 -1.845 -6.353 1.00 0.00 O ATOM 1318 CB ARG A 84 -11.214 -1.806 -2.959 1.00 0.00 C ATOM 1319 CG ARG A 84 -9.741 -2.194 -3.097 1.00 0.00 C ATOM 1320 CD ARG A 84 -9.573 -3.156 -4.276 1.00 0.00 C ATOM 1321 NE ARG A 84 -10.386 -4.358 -3.917 1.00 0.00 N ATOM 1322 CZ ARG A 84 -10.809 -5.203 -4.837 1.00 0.00 C ATOM 1323 NH1 ARG A 84 -10.499 -5.052 -6.104 1.00 0.00 N ATOM 1324 NH2 ARG A 84 -11.553 -6.214 -4.480 1.00 0.00 N ATOM 0 H ARG A 84 -12.660 0.083 -2.635 1.00 0.00 H new ATOM 0 HA ARG A 84 -10.793 -0.599 -4.728 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -11.363 -1.221 -2.051 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -11.829 -2.701 -2.866 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.133 -1.303 -3.252 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -9.390 -2.664 -2.178 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.924 -2.706 -5.205 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.526 -3.419 -4.424 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.619 -4.528 -2.939 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.918 -4.267 -6.397 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -10.839 -5.720 -6.795 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -11.801 -6.343 -3.499 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -11.887 -6.875 -5.182 1.00 0.00 H new ATOM 1338 N SER A 85 -13.428 -2.575 -4.661 1.00 0.00 N ATOM 1339 CA SER A 85 -14.316 -3.368 -5.564 1.00 0.00 C ATOM 1340 C SER A 85 -15.206 -2.411 -6.370 1.00 0.00 C ATOM 1341 O SER A 85 -14.843 -1.272 -6.596 1.00 0.00 O ATOM 1342 CB SER A 85 -15.152 -4.244 -4.626 1.00 0.00 C ATOM 1343 OG SER A 85 -15.965 -5.116 -5.401 1.00 0.00 O ATOM 0 H SER A 85 -13.658 -2.632 -3.669 1.00 0.00 H new ATOM 0 HA SER A 85 -13.764 -3.973 -6.283 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.500 -4.822 -3.971 1.00 0.00 H new ATOM 0 HB3 SER A 85 -15.775 -3.620 -3.985 1.00 0.00 H new ATOM 0 HG SER A 85 -16.501 -5.680 -4.805 1.00 0.00 H new ATOM 1349 N LYS A 86 -16.392 -2.832 -6.738 1.00 0.00 N ATOM 1350 CA LYS A 86 -17.325 -1.913 -7.446 1.00 0.00 C ATOM 1351 C LYS A 86 -18.314 -1.313 -6.441 1.00 0.00 C ATOM 1352 O LYS A 86 -18.121 -0.212 -5.962 1.00 0.00 O ATOM 1353 CB LYS A 86 -18.044 -2.786 -8.478 1.00 0.00 C ATOM 1354 CG LYS A 86 -17.351 -2.651 -9.835 1.00 0.00 C ATOM 1355 CD LYS A 86 -17.908 -1.433 -10.575 1.00 0.00 C ATOM 1356 CE LYS A 86 -17.058 -0.203 -10.247 1.00 0.00 C ATOM 1357 NZ LYS A 86 -17.010 0.580 -11.513 1.00 0.00 N ATOM 0 H LYS A 86 -16.750 -3.773 -6.577 1.00 0.00 H new ATOM 0 HA LYS A 86 -16.813 -1.079 -7.925 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -18.037 -3.828 -8.157 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -19.088 -2.485 -8.560 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -16.275 -2.545 -9.697 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -17.509 -3.553 -10.427 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -17.905 -1.614 -11.650 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -18.944 -1.260 -10.284 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -17.501 0.379 -9.439 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -16.058 -0.489 -9.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -16.444 1.440 -11.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -16.577 0.003 -12.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -17.976 0.845 -11.794 1.00 0.00 H new ATOM 1371 N ILE A 87 -19.333 -2.052 -6.071 1.00 0.00 N ATOM 1372 CA ILE A 87 -20.296 -1.542 -5.045 1.00 0.00 C ATOM 1373 C ILE A 87 -20.569 -2.630 -4.001 1.00 0.00 C ATOM 1374 O ILE A 87 -21.657 -3.172 -3.924 1.00 0.00 O ATOM 1375 CB ILE A 87 -21.590 -1.193 -5.807 1.00 0.00 C ATOM 1376 CG1 ILE A 87 -21.284 -0.386 -7.085 1.00 0.00 C ATOM 1377 CG2 ILE A 87 -22.498 -0.361 -4.901 1.00 0.00 C ATOM 1378 CD1 ILE A 87 -20.488 0.881 -6.748 1.00 0.00 C ATOM 0 H ILE A 87 -19.539 -2.983 -6.434 1.00 0.00 H new ATOM 0 HA ILE A 87 -19.901 -0.673 -4.519 1.00 0.00 H new ATOM 0 HB ILE A 87 -22.081 -2.123 -6.093 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -20.718 -1.002 -7.783 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -22.216 -0.115 -7.582 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -23.415 -0.111 -5.435 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -22.743 -0.934 -4.007 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -21.984 0.556 -4.614 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -20.283 1.436 -7.663 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -21.068 1.505 -6.068 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -19.547 0.604 -6.273 1.00 0.00 H new ATOM 1390 N ALA A 88 -19.598 -2.925 -3.175 1.00 0.00 N ATOM 1391 CA ALA A 88 -19.804 -3.947 -2.102 1.00 0.00 C ATOM 1392 C ALA A 88 -20.656 -3.360 -0.971 1.00 0.00 C ATOM 1393 O ALA A 88 -20.222 -3.269 0.163 1.00 0.00 O ATOM 1394 CB ALA A 88 -18.398 -4.287 -1.600 1.00 0.00 C ATOM 0 H ALA A 88 -18.670 -2.502 -3.196 1.00 0.00 H new ATOM 0 HA ALA A 88 -20.328 -4.831 -2.467 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -18.465 -5.033 -0.808 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -17.804 -4.684 -2.423 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -17.923 -3.387 -1.211 1.00 0.00 H new ATOM 1400 N LYS A 89 -21.880 -3.002 -1.267 1.00 0.00 N ATOM 1401 CA LYS A 89 -22.786 -2.465 -0.208 1.00 0.00 C ATOM 1402 C LYS A 89 -24.242 -2.862 -0.505 1.00 0.00 C ATOM 1403 O LYS A 89 -24.973 -2.097 -1.101 1.00 0.00 O ATOM 1404 CB LYS A 89 -22.620 -0.946 -0.278 1.00 0.00 C ATOM 1405 CG LYS A 89 -21.607 -0.492 0.775 1.00 0.00 C ATOM 1406 CD LYS A 89 -22.343 -0.099 2.058 1.00 0.00 C ATOM 1407 CE LYS A 89 -21.580 1.027 2.760 1.00 0.00 C ATOM 1408 NZ LYS A 89 -20.741 0.343 3.782 1.00 0.00 N ATOM 0 H LYS A 89 -22.291 -3.059 -2.199 1.00 0.00 H new ATOM 0 HA LYS A 89 -22.545 -2.856 0.780 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -22.283 -0.652 -1.272 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -23.579 -0.457 -0.109 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -20.898 -1.293 0.981 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -21.032 0.354 0.400 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -23.357 0.226 1.823 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -22.429 -0.961 2.719 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -20.966 1.587 2.055 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -22.264 1.739 3.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -20.187 1.050 4.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -21.353 -0.176 4.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -20.096 -0.323 3.312 1.00 0.00 H new ATOM 1422 N PRO A 90 -24.624 -4.052 -0.080 1.00 0.00 N ATOM 1423 CA PRO A 90 -26.016 -4.535 -0.316 1.00 0.00 C ATOM 1424 C PRO A 90 -27.044 -3.512 0.186 1.00 0.00 C ATOM 1425 O PRO A 90 -27.791 -2.942 -0.586 1.00 0.00 O ATOM 1426 CB PRO A 90 -26.094 -5.820 0.506 1.00 0.00 C ATOM 1427 CG PRO A 90 -24.680 -6.286 0.627 1.00 0.00 C ATOM 1428 CD PRO A 90 -23.819 -5.052 0.644 1.00 0.00 C ATOM 0 HA PRO A 90 -26.235 -4.689 -1.373 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -26.534 -5.636 1.486 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -26.715 -6.567 0.013 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -24.541 -6.868 1.538 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -24.413 -6.933 -0.208 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -23.602 -4.730 1.662 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -22.861 -5.226 0.154 1.00 0.00 H new ATOM 1436 N SER A 91 -27.060 -3.250 1.472 1.00 0.00 N ATOM 1437 CA SER A 91 -28.005 -2.232 2.040 1.00 0.00 C ATOM 1438 C SER A 91 -29.447 -2.524 1.605 1.00 0.00 C ATOM 1439 O SER A 91 -29.970 -1.900 0.701 1.00 0.00 O ATOM 1440 CB SER A 91 -27.539 -0.887 1.480 1.00 0.00 C ATOM 1441 OG SER A 91 -28.252 0.162 2.120 1.00 0.00 O ATOM 0 H SER A 91 -26.455 -3.701 2.158 1.00 0.00 H new ATOM 0 HA SER A 91 -27.999 -2.243 3.130 1.00 0.00 H new ATOM 0 HB2 SER A 91 -26.468 -0.765 1.641 1.00 0.00 H new ATOM 0 HB3 SER A 91 -27.706 -0.851 0.403 1.00 0.00 H new ATOM 0 HG SER A 91 -27.954 1.025 1.764 1.00 0.00 H new ATOM 1447 N GLU A 92 -30.101 -3.443 2.271 1.00 0.00 N ATOM 1448 CA GLU A 92 -31.523 -3.751 1.934 1.00 0.00 C ATOM 1449 C GLU A 92 -32.150 -4.621 3.027 1.00 0.00 C ATOM 1450 O GLU A 92 -33.071 -4.207 3.707 1.00 0.00 O ATOM 1451 CB GLU A 92 -31.458 -4.518 0.611 1.00 0.00 C ATOM 1452 CG GLU A 92 -32.748 -4.284 -0.177 1.00 0.00 C ATOM 1453 CD GLU A 92 -33.919 -4.947 0.551 1.00 0.00 C ATOM 1454 OE1 GLU A 92 -34.452 -4.330 1.459 1.00 0.00 O ATOM 1455 OE2 GLU A 92 -34.263 -6.061 0.189 1.00 0.00 O ATOM 0 H GLU A 92 -29.710 -3.994 3.035 1.00 0.00 H new ATOM 0 HA GLU A 92 -32.133 -2.851 1.856 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -30.598 -4.187 0.028 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -31.324 -5.583 0.802 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -32.932 -3.215 -0.285 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -32.652 -4.694 -1.182 1.00 0.00 H new ATOM 1462 N THR A 93 -31.631 -5.805 3.225 1.00 0.00 N ATOM 1463 CA THR A 93 -32.162 -6.692 4.303 1.00 0.00 C ATOM 1464 C THR A 93 -31.273 -6.606 5.546 1.00 0.00 C ATOM 1465 O THR A 93 -30.375 -5.788 5.620 1.00 0.00 O ATOM 1466 CB THR A 93 -32.124 -8.102 3.711 1.00 0.00 C ATOM 1467 OG1 THR A 93 -30.899 -8.287 3.016 1.00 0.00 O ATOM 1468 CG2 THR A 93 -33.295 -8.286 2.746 1.00 0.00 C ATOM 0 H THR A 93 -30.860 -6.197 2.685 1.00 0.00 H new ATOM 0 HA THR A 93 -33.167 -6.408 4.613 1.00 0.00 H new ATOM 0 HB THR A 93 -32.202 -8.836 4.513 1.00 0.00 H new ATOM 0 HG1 THR A 93 -30.871 -9.190 2.637 1.00 0.00 H new ATOM 0 HG21 THR A 93 -33.266 -9.291 2.326 1.00 0.00 H new ATOM 0 HG22 THR A 93 -34.234 -8.144 3.282 1.00 0.00 H new ATOM 0 HG23 THR A 93 -33.222 -7.554 1.942 1.00 0.00 H new ATOM 1476 N LEU A 94 -31.492 -7.472 6.503 1.00 0.00 N ATOM 1477 CA LEU A 94 -30.636 -7.478 7.726 1.00 0.00 C ATOM 1478 C LEU A 94 -29.342 -8.252 7.464 1.00 0.00 C ATOM 1479 O LEU A 94 -28.866 -8.210 6.340 1.00 0.00 O ATOM 1480 CB LEU A 94 -31.475 -8.180 8.794 1.00 0.00 C ATOM 1481 CG LEU A 94 -30.908 -7.864 10.179 1.00 0.00 C ATOM 1482 CD1 LEU A 94 -31.626 -6.643 10.757 1.00 0.00 C ATOM 1483 CD2 LEU A 94 -31.123 -9.064 11.103 1.00 0.00 C ATOM 1484 OXT LEU A 94 -28.848 -8.876 8.389 1.00 0.00 O ATOM 0 H LEU A 94 -32.229 -8.177 6.489 1.00 0.00 H new ATOM 0 HA LEU A 94 -30.346 -6.473 8.031 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -32.512 -7.851 8.731 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -31.471 -9.257 8.625 1.00 0.00 H new ATOM 0 HG LEU A 94 -29.842 -7.654 10.096 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -31.223 -6.417 11.744 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -31.476 -5.787 10.099 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -32.692 -6.854 10.840 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -30.719 -8.840 12.090 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -32.190 -9.273 11.186 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -30.614 -9.936 10.692 1.00 0.00 H new TER 1496 LEU A 94