USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 0 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 27 ASN : amide:sc= -17.4! C(o=-22!,f=-38!) USER MOD Set 1.2: A 29 GLN : amide:sc= -4.91! C(o=-22!,f=-33!) USER MOD Set 1.3: A 101 SER OG : rot 104:sc= 0.391 USER MOD Set 2.1: A 94 THR OG1 : rot 133:sc= -1.4! USER MOD Set 2.2: A 97 GLN : amide:sc= 0 K(o=-1.4,f=-2.7) USER MOD Set 3.1: A 69 ASN :FLIP amide:sc= -2.02 F(o=-6.3!,f=-3.5) USER MOD Set 3.2: A 73 HIS :FLIP no HD1:sc= -1.52 F(o=-7.9,f=-3.5) USER MOD Set 4.1: A 23 HIS :FLIP no HE2:sc= -2.46! C(o=-6.2!,f=-2.9!) USER MOD Set 4.2: A 34 THR OG1 : rot 87:sc= -0.423! USER MOD Set 4.3: A 36 ASN : amide:sc= -0.0251 X(o=-2.9,f=-3.3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc=-0.00748 X(o=-0.0075,f=-0.0026) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -164:sc= 0.411 USER MOD Single : A 35 CYS SG : rot 16:sc= -1.73 USER MOD Single : A 37 ASN : amide:sc= -5.54! C(o=-5.5!,f=-12!) USER MOD Single : A 38 LYS NZ :NH3+ -159:sc= -0.0301 (180deg=-0.276) USER MOD Single : A 42 HIS :FLIP no HD1:sc= -3.98! C(o=-5!,f=-4!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= -0.0193 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN :FLIP amide:sc= -0.906 F(o=-2.6,f=-0.91) USER MOD Single : A 60 ASN : amide:sc= -0.0145 X(o=-0.014,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 HIS :FLIP no HD1:sc= -3.01 F(o=-4.6!,f=-3) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -0.0296 X(o=-0.03,f=-0.44) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl 167:sc= -7.74! (180deg=-9.3!) USER MOD Single : A 95 THR OG1 : rot 4:sc= -1.81 USER MOD Single : A 99 GLN :FLIP amide:sc= -2.5 F(o=-4!,f=-2.5) USER MOD Single : A 100 ASN : amide:sc= -1.41 X(o=-1.4,f=-1.1) USER MOD Single : A 104 HIS :FLIP no HD1:sc= -14.7! C(o=-16!,f=-15!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc= -14.5! C(o=-14!,f=-22!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.653 -20.481 -15.319 1.00 0.00 N ATOM 2 CA MET A 1 -13.624 -19.522 -14.229 1.00 0.00 C ATOM 3 C MET A 1 -12.358 -18.665 -14.286 1.00 0.00 C ATOM 4 O MET A 1 -11.258 -19.187 -14.461 1.00 0.00 O ATOM 5 CB MET A 1 -13.678 -20.264 -12.892 1.00 0.00 C ATOM 6 CG MET A 1 -15.124 -20.558 -12.486 1.00 0.00 C ATOM 7 SD MET A 1 -15.288 -22.270 -12.009 1.00 0.00 S ATOM 8 CE MET A 1 -16.180 -22.900 -13.421 1.00 0.00 C ATOM 0 H1 MET A 1 -14.521 -21.050 -15.258 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.634 -19.975 -16.227 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.824 -21.106 -15.254 1.00 0.00 H new ATOM 0 HA MET A 1 -14.489 -18.866 -14.325 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.121 -21.198 -12.967 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.194 -19.666 -12.120 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.417 -19.912 -11.658 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.795 -20.337 -13.316 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.367 -23.965 -13.287 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.130 -22.374 -13.516 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.588 -22.746 -14.323 1.00 0.00 H new ATOM 9 N LEU A 2 -12.555 -17.363 -14.134 1.00 0.00 N ATOM 10 CA LEU A 2 -11.444 -16.428 -14.166 1.00 0.00 C ATOM 11 C LEU A 2 -11.236 -15.840 -12.770 1.00 0.00 C ATOM 12 O LEU A 2 -11.241 -16.569 -11.778 1.00 0.00 O ATOM 13 CB LEU A 2 -11.662 -15.372 -15.252 1.00 0.00 C ATOM 14 CG LEU A 2 -12.018 -15.903 -16.642 1.00 0.00 C ATOM 15 CD1 LEU A 2 -13.354 -15.331 -17.121 1.00 0.00 C ATOM 16 CD2 LEU A 2 -10.889 -15.635 -17.639 1.00 0.00 C ATOM 0 H LEU A 2 -13.469 -16.934 -13.988 1.00 0.00 H new ATOM 0 HA LEU A 2 -10.522 -16.943 -14.435 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -12.458 -14.703 -14.926 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -10.756 -14.772 -15.335 1.00 0.00 H new ATOM 0 HG LEU A 2 -12.136 -16.984 -16.574 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -13.584 -15.724 -18.111 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -14.143 -15.617 -16.425 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -13.288 -14.244 -17.168 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -11.169 -16.023 -18.618 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -10.714 -14.562 -17.710 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -9.979 -16.129 -17.300 1.00 0.00 H new ATOM 17 N LEU A 3 -11.061 -14.527 -12.735 1.00 0.00 N ATOM 18 CA LEU A 3 -10.853 -13.833 -11.476 1.00 0.00 C ATOM 19 C LEU A 3 -12.061 -12.939 -11.186 1.00 0.00 C ATOM 20 O LEU A 3 -13.038 -12.948 -11.932 1.00 0.00 O ATOM 21 CB LEU A 3 -9.522 -13.081 -11.492 1.00 0.00 C ATOM 22 CG LEU A 3 -9.610 -11.563 -11.661 1.00 0.00 C ATOM 23 CD1 LEU A 3 -8.271 -10.896 -11.339 1.00 0.00 C ATOM 24 CD2 LEU A 3 -10.111 -11.195 -13.059 1.00 0.00 C ATOM 0 H LEU A 3 -11.059 -13.926 -13.559 1.00 0.00 H new ATOM 0 HA LEU A 3 -10.779 -14.547 -10.655 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.997 -13.293 -10.561 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -8.911 -13.482 -12.301 1.00 0.00 H new ATOM 0 HG LEU A 3 -10.340 -11.182 -10.946 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -8.362 -9.817 -11.467 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -7.993 -11.117 -10.308 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -7.503 -11.278 -12.012 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -10.164 -10.110 -13.153 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -9.424 -11.590 -13.807 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -11.102 -11.622 -13.214 1.00 0.00 H new ATOM 25 N GLU A 4 -11.953 -12.188 -10.099 1.00 0.00 N ATOM 26 CA GLU A 4 -13.024 -11.289 -9.702 1.00 0.00 C ATOM 27 C GLU A 4 -12.451 -10.064 -8.988 1.00 0.00 C ATOM 28 O GLU A 4 -11.481 -9.469 -9.451 1.00 0.00 O ATOM 29 CB GLU A 4 -14.046 -12.011 -8.820 1.00 0.00 C ATOM 30 CG GLU A 4 -15.440 -11.404 -8.988 1.00 0.00 C ATOM 31 CD GLU A 4 -16.497 -12.257 -8.283 1.00 0.00 C ATOM 32 OE1 GLU A 4 -16.770 -13.363 -8.798 1.00 0.00 O ATOM 33 OE2 GLU A 4 -17.008 -11.784 -7.245 1.00 0.00 O ATOM 0 H GLU A 4 -11.141 -12.184 -9.482 1.00 0.00 H new ATOM 0 HA GLU A 4 -13.542 -10.952 -10.600 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.072 -13.069 -9.079 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -13.741 -11.946 -7.776 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -15.452 -10.393 -8.581 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -15.680 -11.323 -10.048 1.00 0.00 H new ATOM 34 N LYS A 5 -13.077 -9.724 -7.870 1.00 0.00 N ATOM 35 CA LYS A 5 -12.642 -8.580 -7.087 1.00 0.00 C ATOM 36 C LYS A 5 -11.178 -8.770 -6.685 1.00 0.00 C ATOM 37 O LYS A 5 -10.563 -7.866 -6.123 1.00 0.00 O ATOM 38 CB LYS A 5 -13.580 -8.355 -5.900 1.00 0.00 C ATOM 39 CG LYS A 5 -13.521 -9.530 -4.923 1.00 0.00 C ATOM 40 CD LYS A 5 -14.446 -9.296 -3.727 1.00 0.00 C ATOM 41 CE LYS A 5 -15.889 -9.676 -4.066 1.00 0.00 C ATOM 42 NZ LYS A 5 -16.660 -9.937 -2.830 1.00 0.00 N ATOM 0 H LYS A 5 -13.882 -10.221 -7.488 1.00 0.00 H new ATOM 0 HA LYS A 5 -12.695 -7.669 -7.683 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -13.305 -7.435 -5.384 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -14.601 -8.227 -6.258 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.808 -10.448 -5.435 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -12.497 -9.667 -4.574 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -14.102 -9.884 -2.876 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -14.403 -8.248 -3.429 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -16.360 -8.872 -4.632 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -15.898 -10.562 -4.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -17.637 -10.194 -3.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -16.219 -10.719 -2.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -16.666 -9.082 -2.238 1.00 0.00 H new ATOM 43 N ALA A 6 -10.662 -9.952 -6.990 1.00 0.00 N ATOM 44 CA ALA A 6 -9.282 -10.272 -6.669 1.00 0.00 C ATOM 45 C ALA A 6 -8.385 -9.098 -7.066 1.00 0.00 C ATOM 46 O ALA A 6 -7.298 -8.927 -6.514 1.00 0.00 O ATOM 47 CB ALA A 6 -8.883 -11.573 -7.366 1.00 0.00 C ATOM 0 H ALA A 6 -11.176 -10.700 -7.456 1.00 0.00 H new ATOM 0 HA ALA A 6 -9.164 -10.429 -5.597 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.847 -11.812 -7.125 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.531 -12.381 -7.026 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.986 -11.454 -8.445 1.00 0.00 H new ATOM 48 N TYR A 7 -8.872 -8.320 -8.021 1.00 0.00 N ATOM 49 CA TYR A 7 -8.127 -7.168 -8.499 1.00 0.00 C ATOM 50 C TYR A 7 -7.601 -6.332 -7.331 1.00 0.00 C ATOM 51 O TYR A 7 -6.644 -5.573 -7.487 1.00 0.00 O ATOM 52 CB TYR A 7 -9.120 -6.328 -9.306 1.00 0.00 C ATOM 53 CG TYR A 7 -9.693 -7.047 -10.529 1.00 0.00 C ATOM 54 CD1 TYR A 7 -8.845 -7.534 -11.503 1.00 0.00 C ATOM 55 CD2 TYR A 7 -11.057 -7.209 -10.659 1.00 0.00 C ATOM 56 CE1 TYR A 7 -9.385 -8.210 -12.655 1.00 0.00 C ATOM 57 CE2 TYR A 7 -11.597 -7.885 -11.809 1.00 0.00 C ATOM 58 CZ TYR A 7 -10.734 -8.352 -12.751 1.00 0.00 C ATOM 0 H TYR A 7 -9.773 -8.465 -8.477 1.00 0.00 H new ATOM 0 HA TYR A 7 -7.269 -7.485 -9.092 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -9.941 -6.030 -8.655 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -8.625 -5.414 -9.634 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -7.777 -7.408 -11.402 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -11.720 -6.828 -9.897 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -8.733 -8.595 -13.425 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -12.663 -8.018 -11.921 1.00 0.00 H new ATOM 59 N ARG A 8 -8.249 -6.497 -6.188 1.00 0.00 N ATOM 60 CA ARG A 8 -7.859 -5.767 -4.993 1.00 0.00 C ATOM 61 C ARG A 8 -7.399 -6.739 -3.904 1.00 0.00 C ATOM 62 O ARG A 8 -7.752 -7.915 -3.929 1.00 0.00 O ATOM 63 CB ARG A 8 -9.019 -4.925 -4.460 1.00 0.00 C ATOM 64 CG ARG A 8 -10.358 -5.628 -4.688 1.00 0.00 C ATOM 65 CD ARG A 8 -11.494 -4.885 -3.982 1.00 0.00 C ATOM 66 NE ARG A 8 -12.686 -4.831 -4.859 1.00 0.00 N ATOM 67 CZ ARG A 8 -13.753 -4.053 -4.631 1.00 0.00 C ATOM 0 H ARG A 8 -9.042 -7.126 -6.063 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.037 -5.103 -5.262 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.879 -4.739 -3.395 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.025 -3.954 -4.955 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.565 -5.686 -5.757 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -10.303 -6.652 -4.318 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.743 -5.388 -3.047 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -11.175 -3.875 -3.726 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.695 -5.424 -5.689 1.00 0.00 H new ATOM 68 N ILE A 9 -6.618 -6.207 -2.974 1.00 0.00 N ATOM 69 CA ILE A 9 -6.106 -7.013 -1.879 1.00 0.00 C ATOM 70 C ILE A 9 -7.278 -7.641 -1.123 1.00 0.00 C ATOM 71 O ILE A 9 -8.048 -6.940 -0.469 1.00 0.00 O ATOM 72 CB ILE A 9 -5.178 -6.181 -0.991 1.00 0.00 C ATOM 73 CG1 ILE A 9 -3.711 -6.512 -1.271 1.00 0.00 C ATOM 74 CG2 ILE A 9 -5.533 -6.354 0.487 1.00 0.00 C ATOM 75 CD1 ILE A 9 -3.224 -5.813 -2.543 1.00 0.00 C ATOM 0 H ILE A 9 -6.328 -5.229 -2.957 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.496 -7.832 -2.261 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.323 -5.129 -1.235 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.097 -6.204 -0.425 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.591 -7.590 -1.376 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.858 -5.752 1.096 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -6.560 -6.030 0.655 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.434 -7.403 0.765 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.178 -6.065 -2.719 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.824 -6.142 -3.391 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.322 -4.734 -2.425 1.00 0.00 H new ATOM 76 N LYS A 10 -7.377 -8.958 -1.238 1.00 0.00 N ATOM 77 CA LYS A 10 -8.442 -9.689 -0.574 1.00 0.00 C ATOM 78 C LYS A 10 -8.412 -9.379 0.923 1.00 0.00 C ATOM 79 O LYS A 10 -9.458 -9.202 1.546 1.00 0.00 O ATOM 80 CB LYS A 10 -8.347 -11.182 -0.894 1.00 0.00 C ATOM 81 CG LYS A 10 -9.597 -11.926 -0.419 1.00 0.00 C ATOM 82 CD LYS A 10 -9.241 -12.988 0.622 1.00 0.00 C ATOM 83 CE LYS A 10 -10.453 -13.862 0.951 1.00 0.00 C ATOM 84 NZ LYS A 10 -10.221 -15.256 0.511 1.00 0.00 N ATOM 0 H LYS A 10 -6.737 -9.537 -1.781 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.414 -9.367 -0.947 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.224 -11.320 -1.968 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.464 -11.605 -0.415 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -10.306 -11.217 0.008 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.090 -12.397 -1.270 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.429 -13.612 0.247 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.879 -12.505 1.530 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.644 -13.840 2.024 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.341 -13.463 0.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -11.053 -15.836 0.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.061 -15.274 -0.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.386 -15.639 0.998 1.00 0.00 H new ATOM 85 N LYS A 11 -7.202 -9.323 1.459 1.00 0.00 N ATOM 86 CA LYS A 11 -7.021 -9.037 2.872 1.00 0.00 C ATOM 87 C LYS A 11 -5.630 -8.440 3.094 1.00 0.00 C ATOM 88 O LYS A 11 -4.758 -8.549 2.232 1.00 0.00 O ATOM 89 CB LYS A 11 -7.294 -10.287 3.711 1.00 0.00 C ATOM 90 CG LYS A 11 -8.052 -9.933 4.992 1.00 0.00 C ATOM 91 CD LYS A 11 -9.553 -9.810 4.725 1.00 0.00 C ATOM 92 CE LYS A 11 -10.305 -11.034 5.251 1.00 0.00 C ATOM 93 NZ LYS A 11 -11.763 -10.777 5.270 1.00 0.00 N ATOM 0 H LYS A 11 -6.337 -9.471 0.940 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.744 -8.293 3.205 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.874 -11.002 3.127 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.351 -10.772 3.964 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.875 -10.699 5.747 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.673 -8.994 5.395 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.938 -8.909 5.202 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.728 -9.703 3.654 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.090 -11.898 4.622 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.959 -11.277 6.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.259 -11.617 5.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.964 -9.965 5.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.091 -10.568 4.306 1.00 0.00 H new ATOM 94 N ASN A 12 -5.464 -7.820 4.252 1.00 0.00 N ATOM 95 CA ASN A 12 -4.194 -7.205 4.598 1.00 0.00 C ATOM 96 C ASN A 12 -3.055 -8.166 4.250 1.00 0.00 C ATOM 97 O ASN A 12 -2.071 -7.768 3.627 1.00 0.00 O ATOM 98 CB ASN A 12 -4.116 -6.904 6.096 1.00 0.00 C ATOM 99 CG ASN A 12 -3.724 -5.447 6.343 1.00 0.00 C ATOM 100 OD1 ASN A 12 -2.716 -4.958 5.862 1.00 0.00 O ATOM 101 ND2 ASN A 12 -4.575 -4.782 7.120 1.00 0.00 N ATOM 0 H ASN A 12 -6.189 -7.730 4.964 1.00 0.00 H new ATOM 0 HA ASN A 12 -4.108 -6.274 4.038 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -5.080 -7.109 6.562 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -3.388 -7.565 6.566 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -4.401 -3.802 7.345 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -5.401 -5.252 7.490 1.00 0.00 H new ATOM 102 N ALA A 13 -3.227 -9.412 4.665 1.00 0.00 N ATOM 103 CA ALA A 13 -2.227 -10.433 4.405 1.00 0.00 C ATOM 104 C ALA A 13 -1.799 -10.358 2.938 1.00 0.00 C ATOM 105 O ALA A 13 -0.607 -10.365 2.633 1.00 0.00 O ATOM 106 CB ALA A 13 -2.787 -11.806 4.780 1.00 0.00 C ATOM 0 H ALA A 13 -4.045 -9.738 5.180 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.340 -10.266 5.017 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.036 -12.571 4.584 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.048 -11.816 5.838 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.677 -12.011 4.185 1.00 0.00 H new ATOM 107 N ASP A 14 -2.795 -10.290 2.067 1.00 0.00 N ATOM 108 CA ASP A 14 -2.537 -10.215 0.639 1.00 0.00 C ATOM 109 C ASP A 14 -1.708 -8.965 0.340 1.00 0.00 C ATOM 110 O ASP A 14 -0.917 -8.951 -0.602 1.00 0.00 O ATOM 111 CB ASP A 14 -3.843 -10.116 -0.152 1.00 0.00 C ATOM 112 CG ASP A 14 -4.882 -11.189 0.178 1.00 0.00 C ATOM 113 OD1 ASP A 14 -5.342 -11.196 1.340 1.00 0.00 O ATOM 114 OD2 ASP A 14 -5.193 -11.979 -0.740 1.00 0.00 O ATOM 0 H ASP A 14 -3.782 -10.285 2.323 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.004 -11.119 0.345 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.285 -9.136 0.027 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.611 -10.171 -1.216 1.00 0.00 H new ATOM 115 N PHE A 15 -1.916 -7.945 1.160 1.00 0.00 N ATOM 116 CA PHE A 15 -1.197 -6.693 0.995 1.00 0.00 C ATOM 117 C PHE A 15 0.193 -6.772 1.629 1.00 0.00 C ATOM 118 O PHE A 15 1.150 -6.201 1.109 1.00 0.00 O ATOM 119 CB PHE A 15 -2.010 -5.613 1.711 1.00 0.00 C ATOM 120 CG PHE A 15 -2.304 -4.383 0.850 1.00 0.00 C ATOM 121 CD1 PHE A 15 -1.358 -3.909 -0.004 1.00 0.00 C ATOM 122 CD2 PHE A 15 -3.512 -3.764 0.937 1.00 0.00 C ATOM 123 CE1 PHE A 15 -1.631 -2.767 -0.803 1.00 0.00 C ATOM 124 CE2 PHE A 15 -3.785 -2.623 0.138 1.00 0.00 C ATOM 125 CZ PHE A 15 -2.840 -2.148 -0.715 1.00 0.00 C ATOM 0 H PHE A 15 -2.572 -7.960 1.941 1.00 0.00 H new ATOM 0 HA PHE A 15 -1.072 -6.472 -0.065 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -2.954 -6.044 2.045 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.470 -5.298 2.604 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.399 -4.401 -0.075 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -4.264 -4.141 1.614 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.879 -2.390 -1.480 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.744 -2.132 0.208 1.00 0.00 H new ATOM 0 HZ PHE A 15 -3.048 -1.280 -1.323 1.00 0.00 H new ATOM 126 N GLN A 16 0.261 -7.484 2.745 1.00 0.00 N ATOM 127 CA GLN A 16 1.518 -7.644 3.456 1.00 0.00 C ATOM 128 C GLN A 16 2.496 -8.476 2.623 1.00 0.00 C ATOM 129 O GLN A 16 3.623 -8.049 2.373 1.00 0.00 O ATOM 130 CB GLN A 16 1.293 -8.277 4.830 1.00 0.00 C ATOM 131 CG GLN A 16 0.070 -7.669 5.520 1.00 0.00 C ATOM 132 CD GLN A 16 0.437 -7.112 6.897 1.00 0.00 C ATOM 133 OE1 GLN A 16 0.851 -5.974 7.045 1.00 0.00 O ATOM 134 NE2 GLN A 16 0.262 -7.976 7.894 1.00 0.00 N ATOM 0 H GLN A 16 -0.535 -7.957 3.174 1.00 0.00 H new ATOM 0 HA GLN A 16 1.953 -6.657 3.614 1.00 0.00 H new ATOM 0 HB2 GLN A 16 1.156 -9.353 4.721 1.00 0.00 H new ATOM 0 HB3 GLN A 16 2.176 -8.130 5.451 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -0.343 -6.873 4.900 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -0.706 -8.427 5.626 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.088 -8.914 7.700 1.00 0.00 H new ATOM 0 HE22 GLN A 16 0.478 -7.700 8.852 1.00 0.00 H new ATOM 135 N ARG A 17 2.029 -9.647 2.216 1.00 0.00 N ATOM 136 CA ARG A 17 2.849 -10.542 1.416 1.00 0.00 C ATOM 137 C ARG A 17 3.644 -9.748 0.378 1.00 0.00 C ATOM 138 O ARG A 17 4.726 -10.165 -0.033 1.00 0.00 O ATOM 139 CB ARG A 17 1.988 -11.585 0.701 1.00 0.00 C ATOM 140 CG ARG A 17 1.655 -12.752 1.632 1.00 0.00 C ATOM 141 CD ARG A 17 1.585 -14.070 0.857 1.00 0.00 C ATOM 142 NE ARG A 17 0.653 -15.003 1.528 1.00 0.00 N ATOM 143 CZ ARG A 17 -0.669 -14.805 1.627 1.00 0.00 C ATOM 0 H ARG A 17 1.094 -9.997 2.425 1.00 0.00 H new ATOM 0 HA ARG A 17 3.536 -11.054 2.090 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.066 -11.122 0.349 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.515 -11.956 -0.178 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.411 -12.825 2.414 1.00 0.00 H new ATOM 0 HG3 ARG A 17 0.702 -12.566 2.127 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.253 -13.884 -0.164 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.577 -14.517 0.793 1.00 0.00 H new ATOM 0 HE ARG A 17 1.041 -15.851 1.942 1.00 0.00 H new ATOM 144 N ILE A 18 3.077 -8.617 -0.016 1.00 0.00 N ATOM 145 CA ILE A 18 3.721 -7.761 -0.998 1.00 0.00 C ATOM 146 C ILE A 18 4.727 -6.850 -0.294 1.00 0.00 C ATOM 147 O ILE A 18 5.873 -6.733 -0.726 1.00 0.00 O ATOM 148 CB ILE A 18 2.673 -7.003 -1.816 1.00 0.00 C ATOM 149 CG1 ILE A 18 1.396 -7.831 -1.973 1.00 0.00 C ATOM 150 CG2 ILE A 18 3.242 -6.565 -3.166 1.00 0.00 C ATOM 151 CD1 ILE A 18 0.425 -7.162 -2.948 1.00 0.00 C ATOM 0 H ILE A 18 2.180 -8.274 0.327 1.00 0.00 H new ATOM 0 HA ILE A 18 4.282 -8.360 -1.716 1.00 0.00 H new ATOM 0 HB ILE A 18 2.405 -6.098 -1.272 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.647 -8.829 -2.332 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.916 -7.953 -1.002 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.476 -6.029 -3.727 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.099 -5.911 -3.005 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.557 -7.443 -3.730 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.474 -7.771 -3.041 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.157 -6.174 -2.574 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.900 -7.064 -3.924 1.00 0.00 H new ATOM 152 N TYR A 19 4.264 -6.228 0.780 1.00 0.00 N ATOM 153 CA TYR A 19 5.110 -5.331 1.549 1.00 0.00 C ATOM 154 C TYR A 19 6.296 -6.082 2.158 1.00 0.00 C ATOM 155 O TYR A 19 7.228 -5.466 2.672 1.00 0.00 O ATOM 156 CB TYR A 19 4.232 -4.787 2.678 1.00 0.00 C ATOM 157 CG TYR A 19 3.501 -3.489 2.329 1.00 0.00 C ATOM 158 CD1 TYR A 19 2.610 -3.461 1.275 1.00 0.00 C ATOM 159 CD2 TYR A 19 3.733 -2.347 3.067 1.00 0.00 C ATOM 160 CE1 TYR A 19 1.922 -2.239 0.947 1.00 0.00 C ATOM 161 CE2 TYR A 19 3.046 -1.124 2.739 1.00 0.00 C ATOM 162 CZ TYR A 19 2.174 -1.132 1.695 1.00 0.00 C ATOM 0 H TYR A 19 3.313 -6.327 1.136 1.00 0.00 H new ATOM 0 HA TYR A 19 5.510 -4.541 0.913 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.496 -5.544 2.949 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.853 -4.617 3.557 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.429 -4.355 0.697 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.430 -2.370 3.891 1.00 0.00 H new ATOM 0 HE1 TYR A 19 1.222 -2.203 0.126 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.219 -0.223 3.308 1.00 0.00 H new ATOM 163 N LYS A 20 6.222 -7.403 2.078 1.00 0.00 N ATOM 164 CA LYS A 20 7.277 -8.244 2.615 1.00 0.00 C ATOM 165 C LYS A 20 8.049 -8.886 1.459 1.00 0.00 C ATOM 166 O LYS A 20 9.054 -8.343 1.003 1.00 0.00 O ATOM 167 CB LYS A 20 6.702 -9.257 3.607 1.00 0.00 C ATOM 168 CG LYS A 20 7.804 -10.156 4.172 1.00 0.00 C ATOM 169 CD LYS A 20 7.725 -11.562 3.573 1.00 0.00 C ATOM 170 CE LYS A 20 7.677 -12.625 4.672 1.00 0.00 C ATOM 171 NZ LYS A 20 8.957 -13.366 4.733 1.00 0.00 N ATOM 0 H LYS A 20 5.448 -7.911 1.649 1.00 0.00 H new ATOM 0 HA LYS A 20 7.990 -7.646 3.183 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.203 -8.731 4.421 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.947 -9.868 3.112 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.780 -9.720 3.958 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.711 -10.213 5.257 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.838 -11.644 2.944 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.588 -11.737 2.931 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.477 -12.153 5.634 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.858 -13.318 4.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.907 -14.084 5.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.132 -13.832 3.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.732 -12.704 4.938 1.00 0.00 H new ATOM 172 N LYS A 21 7.549 -10.031 1.020 1.00 0.00 N ATOM 173 CA LYS A 21 8.179 -10.751 -0.074 1.00 0.00 C ATOM 174 C LYS A 21 8.139 -9.889 -1.337 1.00 0.00 C ATOM 175 O LYS A 21 9.066 -9.925 -2.146 1.00 0.00 O ATOM 176 CB LYS A 21 7.535 -12.128 -0.250 1.00 0.00 C ATOM 177 CG LYS A 21 8.584 -13.238 -0.166 1.00 0.00 C ATOM 178 CD LYS A 21 9.096 -13.615 -1.557 1.00 0.00 C ATOM 179 CE LYS A 21 10.506 -13.069 -1.790 1.00 0.00 C ATOM 180 NZ LYS A 21 11.391 -14.128 -2.325 1.00 0.00 N ATOM 0 H LYS A 21 6.715 -10.478 1.401 1.00 0.00 H new ATOM 0 HA LYS A 21 9.229 -10.941 0.150 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.777 -12.280 0.519 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.026 -12.175 -1.213 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.417 -12.910 0.455 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.153 -14.115 0.317 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.100 -14.700 -1.665 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.420 -13.221 -2.316 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.468 -12.232 -2.488 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.913 -12.685 -0.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.344 -13.740 -2.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.442 -14.914 -1.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.010 -14.475 -3.228 1.00 0.00 H new ATOM 181 N GLY A 22 7.058 -9.134 -1.466 1.00 0.00 N ATOM 182 CA GLY A 22 6.887 -8.264 -2.617 1.00 0.00 C ATOM 183 C GLY A 22 7.999 -7.216 -2.682 1.00 0.00 C ATOM 184 O GLY A 22 8.454 -6.723 -1.651 1.00 0.00 O ATOM 0 H GLY A 22 6.292 -9.107 -0.793 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.889 -8.859 -3.530 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.918 -7.768 -2.562 1.00 0.00 H new ATOM 185 N HIS A 23 8.405 -6.904 -3.905 1.00 0.00 N ATOM 186 CA HIS A 23 9.455 -5.924 -4.118 1.00 0.00 C ATOM 187 C HIS A 23 8.830 -4.550 -4.372 1.00 0.00 C ATOM 188 O HIS A 23 7.711 -4.284 -3.938 1.00 0.00 O ATOM 189 CB HIS A 23 10.392 -6.366 -5.244 1.00 0.00 C ATOM 190 CG HIS A 23 9.755 -6.351 -6.613 1.00 0.00 C ATOM 191 ND1 HIS A 23 9.747 -5.390 -7.582 1.00 0.00 N flip ATOM 192 CD2 HIS A 23 9.025 -7.415 -7.112 1.00 0.00 C flip ATOM 193 CE1 HIS A 23 9.050 -5.844 -8.616 1.00 0.00 C flip ATOM 194 NE2 HIS A 23 8.601 -7.099 -8.327 1.00 0.00 N flip ATOM 0 H HIS A 23 8.025 -7.314 -4.758 1.00 0.00 H new ATOM 0 HA HIS A 23 10.071 -5.845 -3.222 1.00 0.00 H new ATOM 0 HB2 HIS A 23 11.265 -5.714 -5.253 1.00 0.00 H new ATOM 0 HB3 HIS A 23 10.749 -7.374 -5.031 1.00 0.00 H new ATOM 0 HD1 HIS A 23 10.200 -4.478 -7.522 1.00 0.00 H new ATOM 0 HD2 HIS A 23 8.833 -8.345 -6.598 1.00 0.00 H new ATOM 0 HE1 HIS A 23 8.868 -5.308 -9.536 1.00 0.00 H new ATOM 195 N SER A 24 9.582 -3.714 -5.073 1.00 0.00 N ATOM 196 CA SER A 24 9.116 -2.375 -5.389 1.00 0.00 C ATOM 197 C SER A 24 10.116 -1.678 -6.314 1.00 0.00 C ATOM 198 O SER A 24 11.320 -1.910 -6.220 1.00 0.00 O ATOM 199 CB SER A 24 8.905 -1.550 -4.118 1.00 0.00 C ATOM 200 OG SER A 24 10.105 -1.426 -3.357 1.00 0.00 O ATOM 0 H SER A 24 10.510 -3.938 -5.431 1.00 0.00 H new ATOM 0 HA SER A 24 8.156 -2.459 -5.898 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.541 -0.558 -4.386 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.134 -2.018 -3.506 1.00 0.00 H new ATOM 0 HG SER A 24 9.888 -1.121 -2.451 1.00 0.00 H new ATOM 201 N VAL A 25 9.579 -0.838 -7.187 1.00 0.00 N ATOM 202 CA VAL A 25 10.409 -0.105 -8.129 1.00 0.00 C ATOM 203 C VAL A 25 10.195 1.396 -7.931 1.00 0.00 C ATOM 204 O VAL A 25 10.052 1.862 -6.802 1.00 0.00 O ATOM 205 CB VAL A 25 10.114 -0.569 -9.557 1.00 0.00 C ATOM 206 CG1 VAL A 25 10.327 -2.077 -9.700 1.00 0.00 C ATOM 207 CG2 VAL A 25 8.698 -0.173 -9.980 1.00 0.00 C ATOM 0 H VAL A 25 8.580 -0.649 -7.262 1.00 0.00 H new ATOM 0 HA VAL A 25 11.464 -0.308 -7.947 1.00 0.00 H new ATOM 0 HB VAL A 25 10.816 -0.068 -10.223 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.110 -2.380 -10.725 1.00 0.00 H new ATOM 0 HG12 VAL A 25 11.362 -2.323 -9.460 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.661 -2.605 -9.017 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.514 -0.514 -10.999 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.975 -0.633 -9.307 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.595 0.911 -9.937 1.00 0.00 H new ATOM 208 N ALA A 26 10.178 2.111 -9.046 1.00 0.00 N ATOM 209 CA ALA A 26 9.982 3.550 -9.009 1.00 0.00 C ATOM 210 C ALA A 26 10.500 4.164 -10.311 1.00 0.00 C ATOM 211 O ALA A 26 11.573 3.799 -10.791 1.00 0.00 O ATOM 212 CB ALA A 26 10.678 4.128 -7.775 1.00 0.00 C ATOM 0 H ALA A 26 10.297 1.721 -9.981 1.00 0.00 H new ATOM 0 HA ALA A 26 8.922 3.791 -8.929 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.531 5.208 -7.747 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.255 3.681 -6.876 1.00 0.00 H new ATOM 0 HB3 ALA A 26 11.745 3.908 -7.822 1.00 0.00 H new ATOM 213 N ASN A 27 9.715 5.087 -10.847 1.00 0.00 N ATOM 214 CA ASN A 27 10.081 5.755 -12.084 1.00 0.00 C ATOM 215 C ASN A 27 10.758 7.087 -11.758 1.00 0.00 C ATOM 216 O ASN A 27 11.983 7.196 -11.818 1.00 0.00 O ATOM 217 CB ASN A 27 8.845 6.049 -12.937 1.00 0.00 C ATOM 218 CG ASN A 27 7.724 6.651 -12.089 1.00 0.00 C ATOM 219 OD1 ASN A 27 7.320 6.111 -11.072 1.00 0.00 O ATOM 220 ND2 ASN A 27 7.244 7.799 -12.560 1.00 0.00 N ATOM 0 H ASN A 27 8.826 5.388 -10.447 1.00 0.00 H new ATOM 0 HA ASN A 27 10.753 5.098 -12.636 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.108 6.738 -13.740 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.496 5.130 -13.407 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.494 8.280 -12.064 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.626 8.198 -13.417 1.00 0.00 H new ATOM 221 N ARG A 28 9.933 8.068 -11.421 1.00 0.00 N ATOM 222 CA ARG A 28 10.438 9.388 -11.085 1.00 0.00 C ATOM 223 C ARG A 28 9.963 9.800 -9.691 1.00 0.00 C ATOM 224 O ARG A 28 10.775 10.132 -8.827 1.00 0.00 O ATOM 225 CB ARG A 28 9.972 10.431 -12.103 1.00 0.00 C ATOM 226 CG ARG A 28 10.519 10.120 -13.498 1.00 0.00 C ATOM 227 CD ARG A 28 12.007 10.464 -13.592 1.00 0.00 C ATOM 228 NE ARG A 28 12.568 9.945 -14.859 1.00 0.00 N ATOM 229 CZ ARG A 28 13.748 10.322 -15.368 1.00 0.00 C ATOM 0 H ARG A 28 8.918 7.975 -11.374 1.00 0.00 H new ATOM 0 HA ARG A 28 11.527 9.340 -11.102 1.00 0.00 H new ATOM 0 HB2 ARG A 28 8.883 10.454 -12.133 1.00 0.00 H new ATOM 0 HB3 ARG A 28 10.303 11.422 -11.791 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.371 9.064 -13.723 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.963 10.686 -14.245 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.143 11.544 -13.540 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.542 10.035 -12.745 1.00 0.00 H new ATOM 0 HE ARG A 28 12.022 9.257 -15.377 1.00 0.00 H new ATOM 230 N GLN A 29 8.651 9.764 -9.512 1.00 0.00 N ATOM 231 CA GLN A 29 8.058 10.128 -8.237 1.00 0.00 C ATOM 232 C GLN A 29 7.028 9.080 -7.811 1.00 0.00 C ATOM 233 O GLN A 29 6.419 9.199 -6.749 1.00 0.00 O ATOM 234 CB GLN A 29 7.429 11.521 -8.302 1.00 0.00 C ATOM 235 CG GLN A 29 6.065 11.474 -8.994 1.00 0.00 C ATOM 236 CD GLN A 29 6.217 11.175 -10.487 1.00 0.00 C ATOM 237 OE1 GLN A 29 6.525 10.068 -10.896 1.00 0.00 O ATOM 238 NE2 GLN A 29 5.986 12.222 -11.274 1.00 0.00 N ATOM 0 H GLN A 29 7.981 9.488 -10.230 1.00 0.00 H new ATOM 0 HA GLN A 29 8.848 10.157 -7.487 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.316 11.920 -7.294 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.091 12.198 -8.841 1.00 0.00 H new ATOM 0 HG2 GLN A 29 5.443 10.710 -8.528 1.00 0.00 H new ATOM 0 HG3 GLN A 29 5.553 12.427 -8.861 1.00 0.00 H new ATOM 0 HE21 GLN A 29 5.732 13.121 -10.865 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.063 12.126 -12.287 1.00 0.00 H new ATOM 239 N PHE A 30 6.864 8.078 -8.663 1.00 0.00 N ATOM 240 CA PHE A 30 5.916 7.010 -8.389 1.00 0.00 C ATOM 241 C PHE A 30 6.633 5.666 -8.245 1.00 0.00 C ATOM 242 O PHE A 30 7.656 5.433 -8.887 1.00 0.00 O ATOM 243 CB PHE A 30 4.961 6.943 -9.581 1.00 0.00 C ATOM 244 CG PHE A 30 3.508 6.657 -9.200 1.00 0.00 C ATOM 245 CD1 PHE A 30 3.000 7.152 -8.040 1.00 0.00 C ATOM 246 CD2 PHE A 30 2.723 5.908 -10.021 1.00 0.00 C ATOM 247 CE1 PHE A 30 1.650 6.888 -7.685 1.00 0.00 C ATOM 248 CE2 PHE A 30 1.374 5.644 -9.666 1.00 0.00 C ATOM 249 CZ PHE A 30 0.866 6.139 -8.506 1.00 0.00 C ATOM 0 H PHE A 30 7.371 7.983 -9.543 1.00 0.00 H new ATOM 0 HA PHE A 30 5.387 7.210 -7.457 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.004 7.889 -10.122 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.305 6.168 -10.266 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.623 7.746 -7.388 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.126 5.514 -10.942 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.247 7.282 -6.764 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.751 5.050 -10.318 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.160 5.937 -8.237 1.00 0.00 H new ATOM 250 N VAL A 31 6.067 4.817 -7.401 1.00 0.00 N ATOM 251 CA VAL A 31 6.638 3.502 -7.166 1.00 0.00 C ATOM 252 C VAL A 31 5.524 2.454 -7.195 1.00 0.00 C ATOM 253 O VAL A 31 4.438 2.681 -6.663 1.00 0.00 O ATOM 254 CB VAL A 31 7.425 3.501 -5.854 1.00 0.00 C ATOM 255 CG1 VAL A 31 7.928 4.906 -5.515 1.00 0.00 C ATOM 256 CG2 VAL A 31 6.585 2.929 -4.711 1.00 0.00 C ATOM 0 H VAL A 31 5.218 5.014 -6.871 1.00 0.00 H new ATOM 0 HA VAL A 31 7.345 3.246 -7.955 1.00 0.00 H new ATOM 0 HB VAL A 31 8.294 2.857 -5.986 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.484 4.877 -4.578 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.580 5.261 -6.313 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.079 5.582 -5.412 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.168 2.940 -3.790 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.688 3.535 -4.580 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.299 1.904 -4.947 1.00 0.00 H new ATOM 257 N VAL A 32 5.831 1.328 -7.823 1.00 0.00 N ATOM 258 CA VAL A 32 4.869 0.245 -7.929 1.00 0.00 C ATOM 259 C VAL A 32 5.444 -1.009 -7.265 1.00 0.00 C ATOM 260 O VAL A 32 6.499 -1.499 -7.665 1.00 0.00 O ATOM 261 CB VAL A 32 4.488 0.024 -9.395 1.00 0.00 C ATOM 262 CG1 VAL A 32 3.645 1.187 -9.922 1.00 0.00 C ATOM 263 CG2 VAL A 32 5.733 -0.189 -10.258 1.00 0.00 C ATOM 0 H VAL A 32 6.732 1.143 -8.263 1.00 0.00 H new ATOM 0 HA VAL A 32 3.949 0.499 -7.403 1.00 0.00 H new ATOM 0 HB VAL A 32 3.883 -0.881 -9.453 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.387 1.006 -10.966 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.732 1.271 -9.332 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.214 2.113 -9.844 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.435 -0.344 -11.295 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.376 0.689 -10.192 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.277 -1.064 -9.902 1.00 0.00 H new ATOM 264 N TYR A 33 4.725 -1.492 -6.263 1.00 0.00 N ATOM 265 CA TYR A 33 5.151 -2.679 -5.541 1.00 0.00 C ATOM 266 C TYR A 33 4.471 -3.932 -6.096 1.00 0.00 C ATOM 267 O TYR A 33 3.248 -4.052 -6.047 1.00 0.00 O ATOM 268 CB TYR A 33 4.706 -2.471 -4.091 1.00 0.00 C ATOM 269 CG TYR A 33 5.768 -1.822 -3.201 1.00 0.00 C ATOM 270 CD1 TYR A 33 6.181 -0.529 -3.451 1.00 0.00 C ATOM 271 CD2 TYR A 33 6.313 -2.530 -2.149 1.00 0.00 C ATOM 272 CE1 TYR A 33 7.180 0.081 -2.614 1.00 0.00 C ATOM 273 CE2 TYR A 33 7.312 -1.918 -1.311 1.00 0.00 C ATOM 274 CZ TYR A 33 7.697 -0.643 -1.585 1.00 0.00 C ATOM 0 H TYR A 33 3.850 -1.083 -5.934 1.00 0.00 H new ATOM 0 HA TYR A 33 6.228 -2.819 -5.633 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.810 -1.850 -4.082 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.429 -3.435 -3.665 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.755 0.025 -4.274 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.991 -3.542 -1.954 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.512 1.092 -2.799 1.00 0.00 H new ATOM 0 HE2 TYR A 33 7.746 -2.460 -0.483 1.00 0.00 H new ATOM 275 N THR A 34 5.294 -4.833 -6.612 1.00 0.00 N ATOM 276 CA THR A 34 4.788 -6.073 -7.176 1.00 0.00 C ATOM 277 C THR A 34 5.474 -7.275 -6.524 1.00 0.00 C ATOM 278 O THR A 34 6.562 -7.145 -5.963 1.00 0.00 O ATOM 279 CB THR A 34 4.977 -6.014 -8.693 1.00 0.00 C ATOM 280 OG1 THR A 34 6.377 -5.811 -8.861 1.00 0.00 O ATOM 281 CG2 THR A 34 4.343 -4.768 -9.314 1.00 0.00 C ATOM 0 H THR A 34 6.308 -4.729 -6.651 1.00 0.00 H new ATOM 0 HA THR A 34 3.724 -6.196 -6.971 1.00 0.00 H new ATOM 0 HB THR A 34 4.545 -6.906 -9.147 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.834 -6.678 -8.870 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.506 -4.775 -10.392 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.272 -4.764 -9.109 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.798 -3.876 -8.884 1.00 0.00 H new ATOM 282 N CYS A 35 4.812 -8.418 -6.619 1.00 0.00 N ATOM 283 CA CYS A 35 5.344 -9.642 -6.046 1.00 0.00 C ATOM 284 C CYS A 35 6.157 -10.363 -7.124 1.00 0.00 C ATOM 285 O CYS A 35 5.767 -10.385 -8.290 1.00 0.00 O ATOM 286 CB CYS A 35 4.236 -10.530 -5.477 1.00 0.00 C ATOM 287 SG CYS A 35 3.240 -11.237 -6.841 1.00 0.00 S ATOM 0 H CYS A 35 3.911 -8.522 -7.085 1.00 0.00 H new ATOM 0 HA CYS A 35 5.992 -9.400 -5.204 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.671 -11.331 -4.880 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.597 -9.948 -4.813 1.00 0.00 H new ATOM 0 HG CYS A 35 3.888 -11.113 -7.961 1.00 0.00 H new ATOM 288 N ASN A 36 7.273 -10.934 -6.695 1.00 0.00 N ATOM 289 CA ASN A 36 8.144 -11.654 -7.608 1.00 0.00 C ATOM 290 C ASN A 36 7.879 -13.156 -7.483 1.00 0.00 C ATOM 291 O ASN A 36 7.517 -13.638 -6.411 1.00 0.00 O ATOM 292 CB ASN A 36 9.616 -11.405 -7.276 1.00 0.00 C ATOM 293 CG ASN A 36 10.401 -11.004 -8.528 1.00 0.00 C ATOM 294 OD1 ASN A 36 10.016 -10.121 -9.277 1.00 0.00 O ATOM 295 ND2 ASN A 36 11.518 -11.700 -8.713 1.00 0.00 N ATOM 0 H ASN A 36 7.594 -10.913 -5.727 1.00 0.00 H new ATOM 0 HA ASN A 36 7.937 -11.302 -8.619 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.695 -10.619 -6.525 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.052 -12.305 -6.842 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.111 -11.508 -9.521 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.783 -12.426 -8.047 1.00 0.00 H new ATOM 296 N ASN A 37 8.070 -13.853 -8.593 1.00 0.00 N ATOM 297 CA ASN A 37 7.855 -15.289 -8.621 1.00 0.00 C ATOM 298 C ASN A 37 6.524 -15.615 -7.941 1.00 0.00 C ATOM 299 O ASN A 37 5.755 -14.714 -7.608 1.00 0.00 O ATOM 300 CB ASN A 37 8.963 -16.027 -7.867 1.00 0.00 C ATOM 301 CG ASN A 37 8.783 -15.888 -6.354 1.00 0.00 C ATOM 302 OD1 ASN A 37 7.855 -16.414 -5.762 1.00 0.00 O ATOM 303 ND2 ASN A 37 9.721 -15.152 -5.763 1.00 0.00 N ATOM 0 H ASN A 37 8.371 -13.450 -9.480 1.00 0.00 H new ATOM 0 HA ASN A 37 7.853 -15.609 -9.663 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.955 -17.082 -8.142 1.00 0.00 H new ATOM 0 HB3 ASN A 37 9.934 -15.629 -8.159 1.00 0.00 H new ATOM 0 HD21 ASN A 37 9.690 -15.000 -4.755 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.471 -14.740 -6.318 1.00 0.00 H new ATOM 304 N LYS A 38 6.292 -16.907 -7.755 1.00 0.00 N ATOM 305 CA LYS A 38 5.066 -17.363 -7.120 1.00 0.00 C ATOM 306 C LYS A 38 3.967 -17.492 -8.177 1.00 0.00 C ATOM 307 O LYS A 38 3.280 -18.510 -8.241 1.00 0.00 O ATOM 308 CB LYS A 38 4.694 -16.446 -5.954 1.00 0.00 C ATOM 309 CG LYS A 38 4.230 -17.258 -4.743 1.00 0.00 C ATOM 310 CD LYS A 38 3.127 -16.524 -3.979 1.00 0.00 C ATOM 311 CE LYS A 38 3.721 -15.597 -2.916 1.00 0.00 C ATOM 312 NZ LYS A 38 4.277 -16.386 -1.794 1.00 0.00 N ATOM 0 H LYS A 38 6.931 -17.652 -8.033 1.00 0.00 H new ATOM 0 HA LYS A 38 5.207 -18.352 -6.684 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.554 -15.835 -5.679 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.903 -15.762 -6.263 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.864 -18.231 -5.072 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.075 -17.443 -4.080 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.521 -15.944 -4.675 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.464 -17.248 -3.506 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.504 -14.981 -3.358 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.952 -14.919 -2.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.347 -15.785 -0.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.652 -17.193 -1.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.223 -16.735 -2.050 1.00 0.00 H new ATOM 313 N GLU A 39 3.836 -16.446 -8.979 1.00 0.00 N ATOM 314 CA GLU A 39 2.833 -16.430 -10.030 1.00 0.00 C ATOM 315 C GLU A 39 1.430 -16.380 -9.422 1.00 0.00 C ATOM 316 O GLU A 39 1.027 -17.295 -8.705 1.00 0.00 O ATOM 317 CB GLU A 39 2.988 -17.638 -10.954 1.00 0.00 C ATOM 318 CG GLU A 39 3.797 -17.274 -12.201 1.00 0.00 C ATOM 319 CD GLU A 39 3.869 -18.454 -13.172 1.00 0.00 C ATOM 320 OE1 GLU A 39 3.800 -19.600 -12.678 1.00 0.00 O ATOM 321 OE2 GLU A 39 3.991 -18.184 -14.386 1.00 0.00 O ATOM 0 H GLU A 39 4.408 -15.603 -8.922 1.00 0.00 H new ATOM 0 HA GLU A 39 2.979 -15.533 -10.632 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.483 -18.449 -10.419 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.004 -18.004 -11.248 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.341 -16.417 -12.697 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.804 -16.975 -11.911 1.00 0.00 H new ATOM 322 N ILE A 40 0.723 -15.304 -9.731 1.00 0.00 N ATOM 323 CA ILE A 40 -0.627 -15.123 -9.226 1.00 0.00 C ATOM 324 C ILE A 40 -1.622 -15.254 -10.380 1.00 0.00 C ATOM 325 O ILE A 40 -1.226 -15.478 -11.522 1.00 0.00 O ATOM 326 CB ILE A 40 -0.741 -13.802 -8.462 1.00 0.00 C ATOM 327 CG1 ILE A 40 -1.750 -13.915 -7.317 1.00 0.00 C ATOM 328 CG2 ILE A 40 -1.077 -12.648 -9.410 1.00 0.00 C ATOM 329 CD1 ILE A 40 -1.038 -14.030 -5.968 1.00 0.00 C ATOM 0 H ILE A 40 1.060 -14.547 -10.326 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.871 -15.903 -8.505 1.00 0.00 H new ATOM 0 HB ILE A 40 0.229 -13.581 -8.016 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.402 -13.042 -7.315 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.385 -14.787 -7.472 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.152 -11.721 -8.842 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.291 -12.552 -10.159 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.027 -12.849 -9.905 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.778 -14.109 -5.172 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.405 -14.918 -5.965 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.422 -13.145 -5.805 1.00 0.00 H new ATOM 330 N ASP A 41 -2.895 -15.107 -10.042 1.00 0.00 N ATOM 331 CA ASP A 41 -3.950 -15.206 -11.037 1.00 0.00 C ATOM 332 C ASP A 41 -4.711 -13.880 -11.100 1.00 0.00 C ATOM 333 O ASP A 41 -5.512 -13.663 -12.007 1.00 0.00 O ATOM 334 CB ASP A 41 -4.948 -16.307 -10.673 1.00 0.00 C ATOM 335 CG ASP A 41 -6.061 -16.534 -11.698 1.00 0.00 C ATOM 336 OD1 ASP A 41 -5.845 -16.147 -12.867 1.00 0.00 O ATOM 337 OD2 ASP A 41 -7.104 -17.090 -11.290 1.00 0.00 O ATOM 0 H ASP A 41 -3.220 -14.920 -9.093 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.489 -15.440 -11.996 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.403 -17.241 -10.538 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.403 -16.062 -9.713 1.00 0.00 H new ATOM 338 N HIS A 42 -4.435 -13.029 -10.124 1.00 0.00 N ATOM 339 CA HIS A 42 -5.084 -11.730 -10.057 1.00 0.00 C ATOM 340 C HIS A 42 -4.041 -10.650 -9.761 1.00 0.00 C ATOM 341 O HIS A 42 -3.076 -10.895 -9.039 1.00 0.00 O ATOM 342 CB HIS A 42 -6.226 -11.746 -9.038 1.00 0.00 C ATOM 343 CG HIS A 42 -5.992 -12.670 -7.867 1.00 0.00 C ATOM 344 ND1 HIS A 42 -5.433 -12.438 -6.646 1.00 0.00 N flip ATOM 345 CD2 HIS A 42 -6.352 -14.007 -7.886 1.00 0.00 C flip ATOM 346 CE1 HIS A 42 -5.451 -13.571 -5.955 1.00 0.00 C flip ATOM 347 NE2 HIS A 42 -6.019 -14.545 -6.721 1.00 0.00 N flip ATOM 0 H HIS A 42 -3.771 -13.213 -9.372 1.00 0.00 H new ATOM 0 HA HIS A 42 -5.537 -11.495 -11.020 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -6.379 -10.734 -8.664 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -7.146 -12.042 -9.543 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -6.823 -14.523 -8.709 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -5.077 -13.700 -4.950 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -6.163 -15.517 -6.446 1.00 0.00 H new ATOM 348 N PHE A 43 -4.271 -9.478 -10.335 1.00 0.00 N ATOM 349 CA PHE A 43 -3.364 -8.360 -10.144 1.00 0.00 C ATOM 350 C PHE A 43 -3.930 -7.362 -9.130 1.00 0.00 C ATOM 351 O PHE A 43 -4.710 -6.481 -9.490 1.00 0.00 O ATOM 352 CB PHE A 43 -3.218 -7.665 -11.498 1.00 0.00 C ATOM 353 CG PHE A 43 -4.541 -7.469 -12.243 1.00 0.00 C ATOM 354 CD1 PHE A 43 -5.029 -8.462 -13.033 1.00 0.00 C ATOM 355 CD2 PHE A 43 -5.227 -6.302 -12.116 1.00 0.00 C ATOM 356 CE1 PHE A 43 -6.255 -8.281 -13.725 1.00 0.00 C ATOM 357 CE2 PHE A 43 -6.453 -6.120 -12.806 1.00 0.00 C ATOM 358 CZ PHE A 43 -6.942 -7.114 -13.597 1.00 0.00 C ATOM 0 H PHE A 43 -5.073 -9.279 -10.933 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.407 -8.718 -9.766 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.750 -6.692 -11.347 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.543 -8.249 -12.124 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.484 -9.389 -13.134 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.838 -5.513 -11.489 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.642 -9.070 -14.353 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.998 -5.193 -12.704 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.875 -6.976 -14.123 1.00 0.00 H new ATOM 359 N ARG A 44 -3.515 -7.535 -7.884 1.00 0.00 N ATOM 360 CA ARG A 44 -3.972 -6.662 -6.816 1.00 0.00 C ATOM 361 C ARG A 44 -3.694 -5.199 -7.171 1.00 0.00 C ATOM 362 O ARG A 44 -2.622 -4.873 -7.678 1.00 0.00 O ATOM 363 CB ARG A 44 -3.277 -6.998 -5.494 1.00 0.00 C ATOM 364 CG ARG A 44 -4.132 -7.945 -4.651 1.00 0.00 C ATOM 365 CD ARG A 44 -3.259 -8.806 -3.736 1.00 0.00 C ATOM 366 NE ARG A 44 -2.980 -10.108 -4.383 1.00 0.00 N ATOM 367 CZ ARG A 44 -3.770 -11.186 -4.275 1.00 0.00 C ATOM 0 H ARG A 44 -2.868 -8.266 -7.590 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.045 -6.815 -6.699 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.309 -7.457 -5.694 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.086 -6.081 -4.936 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.835 -7.368 -4.051 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.723 -8.587 -5.305 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.324 -8.290 -3.520 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.763 -8.965 -2.782 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.134 -10.190 -4.946 1.00 0.00 H new ATOM 368 N LEU A 45 -4.680 -4.359 -6.893 1.00 0.00 N ATOM 369 CA LEU A 45 -4.556 -2.939 -7.177 1.00 0.00 C ATOM 370 C LEU A 45 -4.650 -2.152 -5.869 1.00 0.00 C ATOM 371 O LEU A 45 -5.740 -1.761 -5.453 1.00 0.00 O ATOM 372 CB LEU A 45 -5.581 -2.512 -8.229 1.00 0.00 C ATOM 373 CG LEU A 45 -5.014 -2.064 -9.577 1.00 0.00 C ATOM 374 CD1 LEU A 45 -6.107 -2.024 -10.646 1.00 0.00 C ATOM 375 CD2 LEU A 45 -4.287 -0.725 -9.449 1.00 0.00 C ATOM 0 H LEU A 45 -5.568 -4.634 -6.474 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.580 -2.720 -7.610 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.262 -3.345 -8.403 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.175 -1.696 -7.818 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.277 -2.800 -9.899 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.677 -1.702 -11.594 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.539 -3.018 -10.762 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.885 -1.323 -10.344 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.894 -0.430 -10.422 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.983 0.035 -9.094 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.465 -0.824 -8.740 1.00 0.00 H new ATOM 376 N GLY A 46 -3.494 -1.940 -5.257 1.00 0.00 N ATOM 377 CA GLY A 46 -3.433 -1.206 -4.005 1.00 0.00 C ATOM 378 C GLY A 46 -2.719 0.133 -4.189 1.00 0.00 C ATOM 379 O GLY A 46 -1.652 0.194 -4.800 1.00 0.00 O ATOM 0 H GLY A 46 -2.592 -2.264 -5.605 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.442 -1.036 -3.630 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.911 -1.801 -3.256 1.00 0.00 H new ATOM 380 N ILE A 47 -3.334 1.176 -3.650 1.00 0.00 N ATOM 381 CA ILE A 47 -2.770 2.512 -3.748 1.00 0.00 C ATOM 382 C ILE A 47 -2.369 2.994 -2.352 1.00 0.00 C ATOM 383 O ILE A 47 -3.180 2.975 -1.428 1.00 0.00 O ATOM 384 CB ILE A 47 -3.738 3.451 -4.468 1.00 0.00 C ATOM 385 CG1 ILE A 47 -4.045 2.945 -5.879 1.00 0.00 C ATOM 386 CG2 ILE A 47 -3.207 4.886 -4.476 1.00 0.00 C ATOM 387 CD1 ILE A 47 -5.334 2.119 -5.897 1.00 0.00 C ATOM 0 H ILE A 47 -4.218 1.123 -3.144 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.865 2.500 -4.355 1.00 0.00 H new ATOM 0 HB ILE A 47 -4.679 3.460 -3.917 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.141 3.791 -6.560 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.215 2.338 -6.240 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.915 5.533 -4.994 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.082 5.233 -3.450 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.246 4.915 -4.989 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.529 1.771 -6.911 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.225 1.261 -5.234 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.166 2.736 -5.558 1.00 0.00 H new ATOM 388 N SER A 48 -1.117 3.414 -2.244 1.00 0.00 N ATOM 389 CA SER A 48 -0.598 3.901 -0.976 1.00 0.00 C ATOM 390 C SER A 48 -0.231 5.381 -1.096 1.00 0.00 C ATOM 391 O SER A 48 0.063 5.866 -2.188 1.00 0.00 O ATOM 392 CB SER A 48 0.618 3.087 -0.530 1.00 0.00 C ATOM 393 OG SER A 48 0.272 2.097 0.435 1.00 0.00 O ATOM 0 H SER A 48 -0.447 3.427 -3.013 1.00 0.00 H new ATOM 0 HA SER A 48 -1.375 3.786 -0.221 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.070 2.606 -1.397 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.368 3.757 -0.110 1.00 0.00 H new ATOM 0 HG SER A 48 1.075 1.597 0.693 1.00 0.00 H new ATOM 394 N VAL A 49 -0.260 6.058 0.043 1.00 0.00 N ATOM 395 CA VAL A 49 0.067 7.473 0.081 1.00 0.00 C ATOM 396 C VAL A 49 0.921 7.763 1.316 1.00 0.00 C ATOM 397 O VAL A 49 0.812 7.071 2.327 1.00 0.00 O ATOM 398 CB VAL A 49 -1.215 8.308 0.031 1.00 0.00 C ATOM 399 CG1 VAL A 49 -0.929 9.773 0.367 1.00 0.00 C ATOM 400 CG2 VAL A 49 -1.899 8.182 -1.332 1.00 0.00 C ATOM 0 H VAL A 49 -0.505 5.652 0.946 1.00 0.00 H new ATOM 0 HA VAL A 49 0.656 7.752 -0.793 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.898 7.918 0.786 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.857 10.344 0.324 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.507 9.841 1.370 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.219 10.180 -0.353 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.807 8.785 -1.341 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.223 8.533 -2.112 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.155 7.138 -1.516 1.00 0.00 H new ATOM 401 N SER A 50 1.753 8.788 1.194 1.00 0.00 N ATOM 402 CA SER A 50 2.626 9.177 2.288 1.00 0.00 C ATOM 403 C SER A 50 1.956 10.267 3.128 1.00 0.00 C ATOM 404 O SER A 50 0.976 10.873 2.699 1.00 0.00 O ATOM 405 CB SER A 50 3.979 9.665 1.767 1.00 0.00 C ATOM 406 OG SER A 50 4.824 10.121 2.820 1.00 0.00 O ATOM 0 H SER A 50 1.840 9.360 0.354 1.00 0.00 H new ATOM 0 HA SER A 50 2.803 8.302 2.913 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.474 8.856 1.230 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.822 10.473 1.052 1.00 0.00 H new ATOM 0 HG SER A 50 5.678 10.422 2.447 1.00 0.00 H new ATOM 407 N LYS A 51 2.514 10.482 4.312 1.00 0.00 N ATOM 408 CA LYS A 51 1.983 11.488 5.217 1.00 0.00 C ATOM 409 C LYS A 51 2.757 12.794 5.031 1.00 0.00 C ATOM 410 O LYS A 51 2.481 13.785 5.705 1.00 0.00 O ATOM 411 CB LYS A 51 1.986 10.970 6.656 1.00 0.00 C ATOM 412 CG LYS A 51 3.416 10.781 7.166 1.00 0.00 C ATOM 413 CD LYS A 51 3.558 11.289 8.603 1.00 0.00 C ATOM 414 CE LYS A 51 2.988 10.278 9.600 1.00 0.00 C ATOM 415 NZ LYS A 51 3.320 10.676 10.986 1.00 0.00 N ATOM 0 H LYS A 51 3.327 9.977 4.665 1.00 0.00 H new ATOM 0 HA LYS A 51 0.940 11.699 4.982 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.456 11.671 7.300 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.449 10.023 6.707 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.685 9.726 7.121 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.111 11.315 6.518 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.609 11.472 8.826 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.039 12.242 8.709 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.906 10.213 9.483 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.391 9.287 9.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.926 9.980 11.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.353 10.716 11.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.914 11.613 11.185 1.00 0.00 H new ATOM 416 N LYS A 52 3.712 12.753 4.113 1.00 0.00 N ATOM 417 CA LYS A 52 4.528 13.921 3.830 1.00 0.00 C ATOM 418 C LYS A 52 4.069 14.553 2.514 1.00 0.00 C ATOM 419 O LYS A 52 4.345 15.724 2.253 1.00 0.00 O ATOM 420 CB LYS A 52 6.014 13.555 3.850 1.00 0.00 C ATOM 421 CG LYS A 52 6.732 14.236 5.017 1.00 0.00 C ATOM 422 CD LYS A 52 7.257 15.613 4.608 1.00 0.00 C ATOM 423 CE LYS A 52 7.120 16.615 5.756 1.00 0.00 C ATOM 424 NZ LYS A 52 8.420 17.267 6.032 1.00 0.00 N ATOM 0 H LYS A 52 3.939 11.929 3.556 1.00 0.00 H new ATOM 0 HA LYS A 52 4.398 14.673 4.608 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.125 12.474 3.932 1.00 0.00 H new ATOM 0 HB3 LYS A 52 6.478 13.853 2.910 1.00 0.00 H new ATOM 0 HG2 LYS A 52 6.048 14.339 5.859 1.00 0.00 H new ATOM 0 HG3 LYS A 52 7.560 13.612 5.353 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.303 15.534 4.312 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.706 15.973 3.739 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.375 17.369 5.502 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.765 16.105 6.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.310 17.944 6.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.121 16.546 6.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.744 17.770 5.181 1.00 0.00 H new ATOM 425 N LEU A 53 3.375 13.751 1.720 1.00 0.00 N ATOM 426 CA LEU A 53 2.875 14.217 0.439 1.00 0.00 C ATOM 427 C LEU A 53 2.323 15.636 0.596 1.00 0.00 C ATOM 428 O LEU A 53 2.943 16.600 0.151 1.00 0.00 O ATOM 429 CB LEU A 53 1.862 13.223 -0.135 1.00 0.00 C ATOM 430 CG LEU A 53 2.157 12.702 -1.543 1.00 0.00 C ATOM 431 CD1 LEU A 53 2.279 11.177 -1.547 1.00 0.00 C ATOM 432 CD2 LEU A 53 1.109 13.196 -2.541 1.00 0.00 C ATOM 0 H LEU A 53 3.147 12.781 1.940 1.00 0.00 H new ATOM 0 HA LEU A 53 3.684 14.269 -0.289 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.797 12.370 0.540 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.881 13.698 -0.143 1.00 0.00 H new ATOM 0 HG LEU A 53 3.119 13.103 -1.862 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.489 10.831 -2.559 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.091 10.875 -0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.345 10.736 -1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.342 12.811 -3.534 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.123 12.844 -2.238 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.114 14.286 -2.564 1.00 0.00 H new ATOM 433 N GLY A 54 1.163 15.718 1.231 1.00 0.00 N ATOM 434 CA GLY A 54 0.521 17.002 1.453 1.00 0.00 C ATOM 435 C GLY A 54 -0.909 16.818 1.967 1.00 0.00 C ATOM 436 O GLY A 54 -1.114 16.378 3.098 1.00 0.00 O ATOM 0 H GLY A 54 0.651 14.916 1.599 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.098 17.582 2.173 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.507 17.571 0.524 1.00 0.00 H new ATOM 437 N ASN A 55 -1.860 17.166 1.113 1.00 0.00 N ATOM 438 CA ASN A 55 -3.264 17.044 1.467 1.00 0.00 C ATOM 439 C ASN A 55 -3.815 15.731 0.908 1.00 0.00 C ATOM 440 O ASN A 55 -3.052 14.866 0.480 1.00 0.00 O ATOM 441 CB ASN A 55 -4.082 18.192 0.872 1.00 0.00 C ATOM 442 CG ASN A 55 -3.191 19.148 0.077 1.00 0.00 C ATOM 443 OD1 ASN A 55 -2.974 18.767 -1.179 1.00 0.00 O flip ATOM 444 ND2 ASN A 55 -2.729 20.163 0.572 1.00 0.00 N flip ATOM 0 H ASN A 55 -1.686 17.532 0.177 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.342 17.070 2.554 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.860 17.790 0.223 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.584 18.737 1.671 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.936 20.396 1.543 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.136 20.778 0.015 1.00 0.00 H new ATOM 445 N ALA A 56 -5.135 15.624 0.931 1.00 0.00 N ATOM 446 CA ALA A 56 -5.797 14.430 0.433 1.00 0.00 C ATOM 447 C ALA A 56 -6.219 14.656 -1.021 1.00 0.00 C ATOM 448 O ALA A 56 -6.420 13.700 -1.768 1.00 0.00 O ATOM 449 CB ALA A 56 -6.983 14.088 1.336 1.00 0.00 C ATOM 0 H ALA A 56 -5.764 16.344 1.286 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.117 13.578 0.452 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.479 13.192 0.962 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.628 13.909 2.351 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.689 14.919 1.340 1.00 0.00 H new ATOM 450 N VAL A 57 -6.341 15.926 -1.378 1.00 0.00 N ATOM 451 CA VAL A 57 -6.735 16.289 -2.729 1.00 0.00 C ATOM 452 C VAL A 57 -5.652 15.836 -3.711 1.00 0.00 C ATOM 453 O VAL A 57 -5.948 15.514 -4.860 1.00 0.00 O ATOM 454 CB VAL A 57 -7.020 17.791 -2.804 1.00 0.00 C ATOM 455 CG1 VAL A 57 -5.721 18.589 -2.936 1.00 0.00 C ATOM 456 CG2 VAL A 57 -7.979 18.109 -3.953 1.00 0.00 C ATOM 0 H VAL A 57 -6.174 16.716 -0.755 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.659 15.781 -3.007 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.502 18.089 -1.873 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.951 19.653 -2.987 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.086 18.396 -2.071 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.199 18.287 -3.844 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.165 19.182 -3.985 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -7.535 17.790 -4.896 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.920 17.582 -3.798 1.00 0.00 H new ATOM 457 N LEU A 58 -4.422 15.825 -3.222 1.00 0.00 N ATOM 458 CA LEU A 58 -3.293 15.417 -4.041 1.00 0.00 C ATOM 459 C LEU A 58 -3.236 13.889 -4.096 1.00 0.00 C ATOM 460 O LEU A 58 -2.840 13.315 -5.110 1.00 0.00 O ATOM 461 CB LEU A 58 -2.002 16.063 -3.536 1.00 0.00 C ATOM 462 CG LEU A 58 -1.658 15.814 -2.066 1.00 0.00 C ATOM 463 CD1 LEU A 58 -1.476 14.321 -1.790 1.00 0.00 C ATOM 464 CD2 LEU A 58 -0.432 16.629 -1.645 1.00 0.00 C ATOM 0 H LEU A 58 -4.181 16.092 -2.268 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.418 15.770 -5.065 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.175 15.703 -4.148 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.071 17.139 -3.695 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.496 16.153 -1.457 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.232 14.173 -0.738 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.399 13.792 -2.027 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.667 13.933 -2.408 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.208 16.434 -0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.423 16.343 -2.258 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.637 17.691 -1.781 1.00 0.00 H new ATOM 465 N ARG A 59 -3.637 13.273 -2.994 1.00 0.00 N ATOM 466 CA ARG A 59 -3.635 11.823 -2.904 1.00 0.00 C ATOM 467 C ARG A 59 -4.801 11.240 -3.707 1.00 0.00 C ATOM 468 O ARG A 59 -4.861 10.032 -3.932 1.00 0.00 O ATOM 469 CB ARG A 59 -3.745 11.361 -1.450 1.00 0.00 C ATOM 470 CG ARG A 59 -5.209 11.232 -1.024 1.00 0.00 C ATOM 471 CD ARG A 59 -5.617 9.763 -0.899 1.00 0.00 C ATOM 472 NE ARG A 59 -5.919 9.440 0.513 1.00 0.00 N ATOM 473 CZ ARG A 59 -6.413 8.265 0.925 1.00 0.00 C ATOM 0 H ARG A 59 -3.966 13.752 -2.155 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.691 11.466 -3.316 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -3.242 10.401 -1.331 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -3.235 12.071 -0.800 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.360 11.737 -0.070 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.849 11.730 -1.753 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.490 9.565 -1.521 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.815 9.122 -1.264 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.740 10.157 1.216 1.00 0.00 H new ATOM 474 N ASN A 60 -5.697 12.126 -4.115 1.00 0.00 N ATOM 475 CA ASN A 60 -6.857 11.714 -4.888 1.00 0.00 C ATOM 476 C ASN A 60 -6.505 11.731 -6.377 1.00 0.00 C ATOM 477 O ASN A 60 -6.965 10.880 -7.137 1.00 0.00 O ATOM 478 CB ASN A 60 -8.031 12.670 -4.669 1.00 0.00 C ATOM 479 CG ASN A 60 -9.221 11.941 -4.039 1.00 0.00 C ATOM 480 OD1 ASN A 60 -9.802 11.035 -4.613 1.00 0.00 O ATOM 481 ND2 ASN A 60 -9.549 12.387 -2.830 1.00 0.00 N ATOM 0 H ASN A 60 -5.644 13.127 -3.925 1.00 0.00 H new ATOM 0 HA ASN A 60 -7.141 10.713 -4.563 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.720 13.492 -4.024 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.331 13.108 -5.621 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -10.330 11.966 -2.326 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.020 13.150 -2.407 1.00 0.00 H new ATOM 482 N LYS A 61 -5.692 12.709 -6.749 1.00 0.00 N ATOM 483 CA LYS A 61 -5.273 12.849 -8.133 1.00 0.00 C ATOM 484 C LYS A 61 -4.107 11.897 -8.406 1.00 0.00 C ATOM 485 O LYS A 61 -3.744 11.669 -9.560 1.00 0.00 O ATOM 486 CB LYS A 61 -4.961 14.312 -8.454 1.00 0.00 C ATOM 487 CG LYS A 61 -5.687 14.760 -9.725 1.00 0.00 C ATOM 488 CD LYS A 61 -4.950 15.922 -10.395 1.00 0.00 C ATOM 489 CE LYS A 61 -5.583 16.267 -11.745 1.00 0.00 C ATOM 490 NZ LYS A 61 -6.424 17.480 -11.628 1.00 0.00 N ATOM 0 H LYS A 61 -5.312 13.412 -6.115 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.082 12.565 -8.807 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.260 14.944 -7.618 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.886 14.439 -8.581 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.762 13.923 -10.420 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.705 15.063 -9.479 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.974 16.796 -9.744 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.902 15.659 -10.537 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.803 16.429 -12.489 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.188 15.430 -12.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.846 17.700 -12.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.180 17.313 -10.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.838 18.280 -11.316 1.00 0.00 H new ATOM 491 N ILE A 62 -3.552 11.368 -7.327 1.00 0.00 N ATOM 492 CA ILE A 62 -2.433 10.446 -7.436 1.00 0.00 C ATOM 493 C ILE A 62 -2.965 9.014 -7.525 1.00 0.00 C ATOM 494 O ILE A 62 -2.380 8.173 -8.204 1.00 0.00 O ATOM 495 CB ILE A 62 -1.445 10.664 -6.287 1.00 0.00 C ATOM 496 CG1 ILE A 62 -0.288 11.565 -6.724 1.00 0.00 C ATOM 497 CG2 ILE A 62 -0.951 9.329 -5.727 1.00 0.00 C ATOM 498 CD1 ILE A 62 0.430 12.162 -5.512 1.00 0.00 C ATOM 0 H ILE A 62 -3.855 11.559 -6.372 1.00 0.00 H new ATOM 0 HA ILE A 62 -1.871 10.636 -8.350 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.967 11.178 -5.480 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.419 10.991 -7.323 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.666 12.367 -7.358 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.251 9.513 -4.912 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -1.799 8.755 -5.354 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.451 8.767 -6.515 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.248 12.798 -5.851 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.274 12.755 -4.928 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.828 11.358 -4.893 1.00 0.00 H new ATOM 499 N LYS A 63 -4.069 8.782 -6.830 1.00 0.00 N ATOM 500 CA LYS A 63 -4.686 7.467 -6.822 1.00 0.00 C ATOM 501 C LYS A 63 -5.692 7.374 -7.972 1.00 0.00 C ATOM 502 O LYS A 63 -5.658 6.426 -8.756 1.00 0.00 O ATOM 503 CB LYS A 63 -5.291 7.167 -5.450 1.00 0.00 C ATOM 504 CG LYS A 63 -6.294 6.014 -5.533 1.00 0.00 C ATOM 505 CD LYS A 63 -7.725 6.516 -5.330 1.00 0.00 C ATOM 506 CE LYS A 63 -8.715 5.350 -5.286 1.00 0.00 C ATOM 507 NZ LYS A 63 -10.098 5.837 -5.489 1.00 0.00 N ATOM 0 H LYS A 63 -4.552 9.483 -6.268 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.937 6.693 -6.990 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.498 6.914 -4.746 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.787 8.058 -5.065 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.211 5.524 -6.503 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.057 5.266 -4.777 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.786 7.085 -4.402 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.994 7.195 -6.139 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.463 4.622 -6.057 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.641 4.838 -4.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.757 5.033 -5.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.341 6.515 -4.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.169 6.305 -6.415 1.00 0.00 H new ATOM 508 N ARG A 64 -6.563 8.370 -8.035 1.00 0.00 N ATOM 509 CA ARG A 64 -7.576 8.412 -9.076 1.00 0.00 C ATOM 510 C ARG A 64 -6.919 8.401 -10.458 1.00 0.00 C ATOM 511 O ARG A 64 -7.574 8.112 -11.459 1.00 0.00 O ATOM 512 CB ARG A 64 -8.449 9.662 -8.944 1.00 0.00 C ATOM 513 CG ARG A 64 -7.766 10.877 -9.575 1.00 0.00 C ATOM 514 CD ARG A 64 -8.370 11.197 -10.944 1.00 0.00 C ATOM 515 NE ARG A 64 -9.478 12.167 -10.795 1.00 0.00 N ATOM 516 CZ ARG A 64 -10.297 12.531 -11.790 1.00 0.00 C ATOM 0 H ARG A 64 -6.588 9.154 -7.383 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.205 7.529 -8.962 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -9.411 9.490 -9.426 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.651 9.860 -7.891 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.870 11.740 -8.917 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.698 10.684 -9.681 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.603 11.606 -11.602 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.736 10.283 -11.411 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.627 12.585 -9.876 1.00 0.00 H new ATOM 517 N ALA A 65 -5.633 8.719 -10.469 1.00 0.00 N ATOM 518 CA ALA A 65 -4.880 8.748 -11.711 1.00 0.00 C ATOM 519 C ALA A 65 -4.499 7.320 -12.106 1.00 0.00 C ATOM 520 O ALA A 65 -4.736 6.901 -13.238 1.00 0.00 O ATOM 521 CB ALA A 65 -3.658 9.653 -11.546 1.00 0.00 C ATOM 0 H ALA A 65 -5.093 8.959 -9.637 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.486 9.162 -12.517 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.093 9.675 -12.478 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.984 10.663 -11.296 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.025 9.267 -10.747 1.00 0.00 H new ATOM 522 N ILE A 66 -3.913 6.612 -11.150 1.00 0.00 N ATOM 523 CA ILE A 66 -3.497 5.241 -11.384 1.00 0.00 C ATOM 524 C ILE A 66 -4.733 4.370 -11.622 1.00 0.00 C ATOM 525 O ILE A 66 -4.694 3.436 -12.421 1.00 0.00 O ATOM 526 CB ILE A 66 -2.608 4.748 -10.240 1.00 0.00 C ATOM 527 CG1 ILE A 66 -1.967 3.403 -10.585 1.00 0.00 C ATOM 528 CG2 ILE A 66 -3.389 4.691 -8.926 1.00 0.00 C ATOM 529 CD1 ILE A 66 -2.943 2.251 -10.342 1.00 0.00 C ATOM 0 H ILE A 66 -3.717 6.963 -10.213 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.884 5.177 -12.283 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.798 5.464 -10.103 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.652 3.403 -11.629 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.071 3.258 -9.982 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.735 4.338 -8.129 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.758 5.686 -8.678 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.232 4.008 -9.033 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.461 1.307 -10.595 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.237 2.238 -9.292 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.827 2.386 -10.965 1.00 0.00 H new ATOM 530 N ARG A 67 -5.799 4.706 -10.911 1.00 0.00 N ATOM 531 CA ARG A 67 -7.045 3.968 -11.034 1.00 0.00 C ATOM 532 C ARG A 67 -7.728 4.297 -12.363 1.00 0.00 C ATOM 533 O ARG A 67 -8.729 3.678 -12.720 1.00 0.00 O ATOM 534 CB ARG A 67 -7.996 4.298 -9.883 1.00 0.00 C ATOM 535 CG ARG A 67 -8.902 5.478 -10.242 1.00 0.00 C ATOM 536 CD ARG A 67 -10.203 4.994 -10.886 1.00 0.00 C ATOM 537 NE ARG A 67 -10.464 5.751 -12.130 1.00 0.00 N ATOM 538 CZ ARG A 67 -10.954 6.998 -12.164 1.00 0.00 C ATOM 0 H ARG A 67 -5.826 5.480 -10.247 1.00 0.00 H new ATOM 0 HA ARG A 67 -6.806 2.905 -10.999 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.605 3.425 -9.648 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -7.421 4.535 -8.988 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -9.128 6.054 -9.344 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.380 6.147 -10.926 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.135 3.929 -11.106 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -11.033 5.123 -10.191 1.00 0.00 H new ATOM 0 HE ARG A 67 -10.258 5.295 -13.019 1.00 0.00 H new ATOM 539 N GLU A 68 -7.159 5.270 -13.059 1.00 0.00 N ATOM 540 CA GLU A 68 -7.701 5.688 -14.341 1.00 0.00 C ATOM 541 C GLU A 68 -7.045 4.900 -15.477 1.00 0.00 C ATOM 542 O GLU A 68 -7.724 4.457 -16.402 1.00 0.00 O ATOM 543 CB GLU A 68 -7.525 7.194 -14.545 1.00 0.00 C ATOM 544 CG GLU A 68 -8.779 7.813 -15.167 1.00 0.00 C ATOM 545 CD GLU A 68 -8.419 8.693 -16.365 1.00 0.00 C ATOM 546 OE1 GLU A 68 -8.372 8.137 -17.484 1.00 0.00 O ATOM 547 OE2 GLU A 68 -8.200 9.902 -16.136 1.00 0.00 O ATOM 0 H GLU A 68 -6.328 5.781 -12.760 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.770 5.476 -14.349 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -7.315 7.672 -13.588 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -6.666 7.379 -15.189 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.460 7.023 -15.483 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.305 8.407 -14.420 1.00 0.00 H new ATOM 548 N ASN A 69 -5.733 4.750 -15.370 1.00 0.00 N ATOM 549 CA ASN A 69 -4.979 4.024 -16.377 1.00 0.00 C ATOM 550 C ASN A 69 -5.301 2.532 -16.271 1.00 0.00 C ATOM 551 O ASN A 69 -5.751 1.920 -17.239 1.00 0.00 O ATOM 552 CB ASN A 69 -3.473 4.198 -16.169 1.00 0.00 C ATOM 553 CG ASN A 69 -2.681 3.495 -17.274 1.00 0.00 C ATOM 554 OD1 ASN A 69 -2.644 2.172 -17.154 1.00 0.00 O flip ATOM 555 ND2 ASN A 69 -2.142 4.115 -18.176 1.00 0.00 N flip ATOM 0 H ASN A 69 -5.173 5.119 -14.601 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.256 4.418 -17.355 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.224 5.259 -16.157 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.187 3.793 -15.198 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -2.210 5.132 -18.208 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -1.623 3.616 -18.899 1.00 0.00 H new ATOM 556 N PHE A 70 -5.058 1.988 -15.088 1.00 0.00 N ATOM 557 CA PHE A 70 -5.316 0.580 -14.843 1.00 0.00 C ATOM 558 C PHE A 70 -6.739 0.204 -15.259 1.00 0.00 C ATOM 559 O PHE A 70 -7.053 -0.975 -15.416 1.00 0.00 O ATOM 560 CB PHE A 70 -5.159 0.350 -13.338 1.00 0.00 C ATOM 561 CG PHE A 70 -3.992 -0.565 -12.967 1.00 0.00 C ATOM 562 CD1 PHE A 70 -2.738 -0.053 -12.841 1.00 0.00 C ATOM 563 CD2 PHE A 70 -4.207 -1.893 -12.763 1.00 0.00 C ATOM 564 CE1 PHE A 70 -1.655 -0.903 -12.496 1.00 0.00 C ATOM 565 CE2 PHE A 70 -3.123 -2.743 -12.418 1.00 0.00 C ATOM 566 CZ PHE A 70 -1.870 -2.231 -12.292 1.00 0.00 C ATOM 0 H PHE A 70 -4.685 2.498 -14.288 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.623 -0.031 -15.421 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -5.023 1.313 -12.846 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.082 -0.079 -12.948 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.566 1.001 -13.004 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.202 -2.301 -12.863 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.660 -0.496 -12.395 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.294 -3.797 -12.256 1.00 0.00 H new ATOM 0 HZ PHE A 70 -1.046 -2.878 -12.030 1.00 0.00 H new ATOM 567 N LYS A 71 -7.564 1.227 -15.425 1.00 0.00 N ATOM 568 CA LYS A 71 -8.946 1.019 -15.819 1.00 0.00 C ATOM 569 C LYS A 71 -9.009 0.761 -17.326 1.00 0.00 C ATOM 570 O LYS A 71 -9.895 0.053 -17.803 1.00 0.00 O ATOM 571 CB LYS A 71 -9.817 2.190 -15.358 1.00 0.00 C ATOM 572 CG LYS A 71 -11.149 1.692 -14.792 1.00 0.00 C ATOM 573 CD LYS A 71 -11.177 1.819 -13.267 1.00 0.00 C ATOM 574 CE LYS A 71 -12.614 1.803 -12.742 1.00 0.00 C ATOM 575 NZ LYS A 71 -12.628 1.889 -11.266 1.00 0.00 N ATOM 0 H LYS A 71 -7.301 2.204 -15.293 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.354 0.136 -15.327 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.287 2.765 -14.599 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.002 2.862 -16.196 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.969 2.266 -15.224 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.303 0.651 -15.077 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.614 1.000 -12.820 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.686 2.745 -12.966 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.171 2.638 -13.166 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -13.115 0.890 -13.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.611 1.877 -10.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.114 1.078 -10.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.169 2.772 -10.965 1.00 0.00 H new ATOM 576 N VAL A 72 -8.057 1.350 -18.035 1.00 0.00 N ATOM 577 CA VAL A 72 -7.993 1.193 -19.479 1.00 0.00 C ATOM 578 C VAL A 72 -7.023 0.062 -19.822 1.00 0.00 C ATOM 579 O VAL A 72 -7.293 -0.744 -20.711 1.00 0.00 O ATOM 580 CB VAL A 72 -7.615 2.523 -20.133 1.00 0.00 C ATOM 581 CG1 VAL A 72 -6.577 3.272 -19.294 1.00 0.00 C ATOM 582 CG2 VAL A 72 -7.115 2.309 -21.562 1.00 0.00 C ATOM 0 H VAL A 72 -7.324 1.937 -17.637 1.00 0.00 H new ATOM 0 HA VAL A 72 -8.969 0.916 -19.877 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.513 3.139 -20.182 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.326 4.214 -19.782 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.986 3.474 -18.304 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -5.678 2.663 -19.198 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.853 3.270 -22.004 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.236 1.665 -21.547 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -7.899 1.839 -22.155 1.00 0.00 H new ATOM 583 N HIS A 73 -5.912 0.037 -19.098 1.00 0.00 N ATOM 584 CA HIS A 73 -4.900 -0.983 -19.315 1.00 0.00 C ATOM 585 C HIS A 73 -5.301 -2.267 -18.586 1.00 0.00 C ATOM 586 O HIS A 73 -4.527 -3.220 -18.532 1.00 0.00 O ATOM 587 CB HIS A 73 -3.519 -0.472 -18.902 1.00 0.00 C ATOM 588 CG HIS A 73 -2.943 0.567 -19.834 1.00 0.00 C ATOM 589 ND1 HIS A 73 -3.124 1.919 -19.881 1.00 0.00 N flip ATOM 590 CD2 HIS A 73 -2.073 0.253 -20.863 1.00 0.00 C flip ATOM 591 CE1 HIS A 73 -2.402 2.404 -20.883 1.00 0.00 C flip ATOM 592 NE2 HIS A 73 -1.749 1.372 -21.494 1.00 0.00 N flip ATOM 0 H HIS A 73 -5.691 0.707 -18.361 1.00 0.00 H new ATOM 0 HA HIS A 73 -4.834 -1.216 -20.378 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -3.585 -0.049 -17.900 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -2.832 -1.317 -18.847 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -1.718 -0.737 -21.110 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -2.341 3.444 -21.168 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -1.122 1.449 -22.295 1.00 0.00 H new ATOM 593 N LYS A 74 -6.511 -2.248 -18.045 1.00 0.00 N ATOM 594 CA LYS A 74 -7.024 -3.399 -17.322 1.00 0.00 C ATOM 595 C LYS A 74 -6.815 -4.660 -18.164 1.00 0.00 C ATOM 596 O LYS A 74 -6.486 -5.719 -17.632 1.00 0.00 O ATOM 597 CB LYS A 74 -8.479 -3.168 -16.910 1.00 0.00 C ATOM 598 CG LYS A 74 -9.089 -4.439 -16.316 1.00 0.00 C ATOM 599 CD LYS A 74 -10.617 -4.403 -16.393 1.00 0.00 C ATOM 600 CE LYS A 74 -11.239 -5.406 -15.420 1.00 0.00 C ATOM 601 NZ LYS A 74 -11.395 -6.728 -16.066 1.00 0.00 N ATOM 0 H LYS A 74 -7.150 -1.454 -18.093 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.473 -3.542 -16.392 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.530 -2.360 -16.180 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.060 -2.852 -17.776 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.715 -5.311 -16.852 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.776 -4.545 -15.277 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.973 -3.399 -16.162 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.939 -4.630 -17.409 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.611 -5.500 -14.534 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.210 -5.042 -15.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.819 -7.396 -15.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.013 -6.637 -16.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.463 -7.081 -16.364 1.00 0.00 H new ATOM 602 N SER A 75 -7.016 -4.504 -19.464 1.00 0.00 N ATOM 603 CA SER A 75 -6.854 -5.616 -20.385 1.00 0.00 C ATOM 604 C SER A 75 -5.372 -5.821 -20.703 1.00 0.00 C ATOM 605 O SER A 75 -4.977 -6.886 -21.175 1.00 0.00 O ATOM 606 CB SER A 75 -7.646 -5.384 -21.673 1.00 0.00 C ATOM 607 OG SER A 75 -9.047 -5.564 -21.479 1.00 0.00 O ATOM 0 H SER A 75 -7.290 -3.624 -19.902 1.00 0.00 H new ATOM 0 HA SER A 75 -7.244 -6.515 -19.907 1.00 0.00 H new ATOM 0 HB2 SER A 75 -7.457 -4.374 -22.037 1.00 0.00 H new ATOM 0 HB3 SER A 75 -7.295 -6.071 -22.443 1.00 0.00 H new ATOM 0 HG SER A 75 -9.517 -5.405 -22.324 1.00 0.00 H new ATOM 608 N HIS A 76 -4.592 -4.785 -20.432 1.00 0.00 N ATOM 609 CA HIS A 76 -3.163 -4.837 -20.683 1.00 0.00 C ATOM 610 C HIS A 76 -2.448 -5.414 -19.460 1.00 0.00 C ATOM 611 O HIS A 76 -1.320 -5.895 -19.564 1.00 0.00 O ATOM 612 CB HIS A 76 -2.630 -3.462 -21.088 1.00 0.00 C ATOM 613 CG HIS A 76 -3.478 -2.754 -22.118 1.00 0.00 C ATOM 614 ND1 HIS A 76 -4.833 -2.624 -22.221 1.00 0.00 N flip ATOM 615 CD2 HIS A 76 -2.938 -2.079 -23.199 1.00 0.00 C flip ATOM 616 CE1 HIS A 76 -5.103 -1.907 -23.305 1.00 0.00 C flip ATOM 617 NE2 HIS A 76 -3.930 -1.568 -23.913 1.00 0.00 N flip ATOM 0 H HIS A 76 -4.924 -3.904 -20.040 1.00 0.00 H new ATOM 0 HA HIS A 76 -2.963 -5.500 -21.524 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -2.558 -2.835 -20.199 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -1.620 -3.576 -21.481 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -1.886 -1.985 -23.423 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -6.090 -1.636 -23.649 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -3.834 -1.018 -24.767 1.00 0.00 H new ATOM 618 N ILE A 77 -3.132 -5.345 -18.328 1.00 0.00 N ATOM 619 CA ILE A 77 -2.577 -5.854 -17.085 1.00 0.00 C ATOM 620 C ILE A 77 -2.742 -7.375 -17.043 1.00 0.00 C ATOM 621 O ILE A 77 -3.520 -7.940 -17.810 1.00 0.00 O ATOM 622 CB ILE A 77 -3.198 -5.135 -15.886 1.00 0.00 C ATOM 623 CG1 ILE A 77 -2.401 -3.878 -15.527 1.00 0.00 C ATOM 624 CG2 ILE A 77 -3.342 -6.081 -14.693 1.00 0.00 C ATOM 625 CD1 ILE A 77 -2.124 -3.032 -16.771 1.00 0.00 C ATOM 0 H ILE A 77 -4.066 -4.944 -18.245 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.508 -5.647 -17.032 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.201 -4.812 -16.164 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.955 -3.288 -14.797 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.459 -4.162 -15.058 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.786 -5.544 -13.855 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.983 -6.919 -14.968 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.360 -6.455 -14.405 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.557 -2.145 -16.489 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.549 -3.617 -17.489 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -3.069 -2.730 -17.223 1.00 0.00 H new ATOM 626 N LEU A 78 -1.998 -7.993 -16.138 1.00 0.00 N ATOM 627 CA LEU A 78 -2.052 -9.437 -15.985 1.00 0.00 C ATOM 628 C LEU A 78 -1.846 -9.798 -14.513 1.00 0.00 C ATOM 629 O LEU A 78 -1.201 -9.057 -13.772 1.00 0.00 O ATOM 630 CB LEU A 78 -1.056 -10.113 -16.929 1.00 0.00 C ATOM 631 CG LEU A 78 0.400 -9.661 -16.804 1.00 0.00 C ATOM 632 CD1 LEU A 78 0.507 -8.136 -16.867 1.00 0.00 C ATOM 633 CD2 LEU A 78 1.045 -10.228 -15.538 1.00 0.00 C ATOM 0 H LEU A 78 -1.355 -7.520 -15.503 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.034 -9.814 -16.271 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.097 -11.189 -16.759 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.383 -9.940 -17.954 1.00 0.00 H new ATOM 0 HG LEU A 78 0.955 -10.059 -17.653 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.552 -7.841 -16.776 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.112 -7.783 -17.819 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.067 -7.697 -16.051 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.080 -9.891 -15.474 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.496 -9.881 -14.663 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.020 -11.317 -15.573 1.00 0.00 H new ATOM 634 N ALA A 79 -2.407 -10.936 -14.131 1.00 0.00 N ATOM 635 CA ALA A 79 -2.294 -11.405 -12.760 1.00 0.00 C ATOM 636 C ALA A 79 -0.886 -11.106 -12.239 1.00 0.00 C ATOM 637 O ALA A 79 0.103 -11.406 -12.906 1.00 0.00 O ATOM 638 CB ALA A 79 -2.634 -12.895 -12.699 1.00 0.00 C ATOM 0 H ALA A 79 -2.942 -11.548 -14.748 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.002 -10.884 -12.116 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.549 -13.246 -11.671 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.653 -13.050 -13.052 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.942 -13.452 -13.331 1.00 0.00 H new ATOM 639 N LYS A 80 -0.841 -10.519 -11.052 1.00 0.00 N ATOM 640 CA LYS A 80 0.428 -10.177 -10.434 1.00 0.00 C ATOM 641 C LYS A 80 0.219 -9.023 -9.452 1.00 0.00 C ATOM 642 O LYS A 80 0.055 -7.875 -9.864 1.00 0.00 O ATOM 643 CB LYS A 80 1.485 -9.891 -11.502 1.00 0.00 C ATOM 644 CG LYS A 80 2.335 -11.132 -11.782 1.00 0.00 C ATOM 645 CD LYS A 80 2.828 -11.146 -13.229 1.00 0.00 C ATOM 646 CE LYS A 80 4.265 -11.662 -13.315 1.00 0.00 C ATOM 647 NZ LYS A 80 4.314 -13.111 -13.016 1.00 0.00 N ATOM 0 H LYS A 80 -1.664 -10.272 -10.502 1.00 0.00 H new ATOM 0 HA LYS A 80 0.810 -11.020 -9.858 1.00 0.00 H new ATOM 0 HB2 LYS A 80 0.999 -9.565 -12.421 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.127 -9.073 -11.173 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.188 -11.153 -11.104 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.749 -12.030 -11.585 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.175 -11.776 -13.833 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.774 -10.140 -13.645 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.665 -11.477 -14.312 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.896 -11.118 -12.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.297 -13.445 -13.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.951 -13.280 -12.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.728 -13.627 -13.703 1.00 0.00 H new ATOM 648 N ASP A 81 0.230 -9.367 -8.172 1.00 0.00 N ATOM 649 CA ASP A 81 0.042 -8.374 -7.129 1.00 0.00 C ATOM 650 C ASP A 81 0.830 -7.112 -7.484 1.00 0.00 C ATOM 651 O ASP A 81 2.013 -7.186 -7.814 1.00 0.00 O ATOM 652 CB ASP A 81 0.555 -8.887 -5.782 1.00 0.00 C ATOM 653 CG ASP A 81 0.490 -10.405 -5.601 1.00 0.00 C ATOM 654 OD1 ASP A 81 -0.285 -11.033 -6.354 1.00 0.00 O ATOM 655 OD2 ASP A 81 1.218 -10.902 -4.715 1.00 0.00 O ATOM 0 H ASP A 81 0.366 -10.320 -7.834 1.00 0.00 H new ATOM 0 HA ASP A 81 -1.025 -8.163 -7.053 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.589 -8.565 -5.658 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -0.023 -8.416 -4.987 1.00 0.00 H new ATOM 656 N ILE A 82 0.143 -5.982 -7.406 1.00 0.00 N ATOM 657 CA ILE A 82 0.763 -4.705 -7.716 1.00 0.00 C ATOM 658 C ILE A 82 0.220 -3.635 -6.767 1.00 0.00 C ATOM 659 O ILE A 82 -0.922 -3.721 -6.318 1.00 0.00 O ATOM 660 CB ILE A 82 0.580 -4.365 -9.196 1.00 0.00 C ATOM 661 CG1 ILE A 82 0.643 -2.853 -9.424 1.00 0.00 C ATOM 662 CG2 ILE A 82 -0.713 -4.973 -9.742 1.00 0.00 C ATOM 663 CD1 ILE A 82 -0.661 -2.179 -8.992 1.00 0.00 C ATOM 0 H ILE A 82 -0.838 -5.924 -7.132 1.00 0.00 H new ATOM 0 HA ILE A 82 1.840 -4.756 -7.556 1.00 0.00 H new ATOM 0 HB ILE A 82 1.405 -4.809 -9.753 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.478 -2.432 -8.864 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.831 -2.648 -10.478 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.819 -4.716 -10.796 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -0.679 -6.057 -9.634 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.564 -4.579 -9.185 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.590 -1.105 -9.164 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.490 -2.586 -9.571 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.833 -2.366 -7.932 1.00 0.00 H new ATOM 664 N ILE A 83 1.063 -2.651 -6.491 1.00 0.00 N ATOM 665 CA ILE A 83 0.682 -1.565 -5.603 1.00 0.00 C ATOM 666 C ILE A 83 1.486 -0.314 -5.961 1.00 0.00 C ATOM 667 O ILE A 83 2.710 -0.304 -5.840 1.00 0.00 O ATOM 668 CB ILE A 83 0.826 -1.993 -4.140 1.00 0.00 C ATOM 669 CG1 ILE A 83 0.402 -3.450 -3.951 1.00 0.00 C ATOM 670 CG2 ILE A 83 0.058 -1.047 -3.215 1.00 0.00 C ATOM 671 CD1 ILE A 83 0.638 -3.908 -2.510 1.00 0.00 C ATOM 0 H ILE A 83 2.009 -2.583 -6.867 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.371 -1.316 -5.735 1.00 0.00 H new ATOM 0 HB ILE A 83 1.879 -1.927 -3.866 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -0.653 -3.561 -4.203 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.962 -4.087 -4.635 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.176 -1.373 -2.182 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.449 -0.035 -3.323 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.999 -1.058 -3.480 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.328 -4.948 -2.403 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.697 -3.819 -2.269 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.057 -3.285 -1.830 1.00 0.00 H new ATOM 672 N VAL A 84 0.765 0.711 -6.392 1.00 0.00 N ATOM 673 CA VAL A 84 1.397 1.964 -6.767 1.00 0.00 C ATOM 674 C VAL A 84 1.375 2.919 -5.572 1.00 0.00 C ATOM 675 O VAL A 84 0.333 3.112 -4.946 1.00 0.00 O ATOM 676 CB VAL A 84 0.714 2.543 -8.008 1.00 0.00 C ATOM 677 CG1 VAL A 84 0.699 1.525 -9.150 1.00 0.00 C ATOM 678 CG2 VAL A 84 -0.702 3.022 -7.681 1.00 0.00 C ATOM 0 H VAL A 84 -0.250 0.699 -6.490 1.00 0.00 H new ATOM 0 HA VAL A 84 2.441 1.801 -7.033 1.00 0.00 H new ATOM 0 HB VAL A 84 1.292 3.407 -8.337 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.208 1.961 -10.020 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.722 1.254 -9.409 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.156 0.634 -8.836 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.165 3.429 -8.580 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.294 2.183 -7.315 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.656 3.796 -6.914 1.00 0.00 H new ATOM 679 N ILE A 85 2.535 3.492 -5.290 1.00 0.00 N ATOM 680 CA ILE A 85 2.663 4.422 -4.182 1.00 0.00 C ATOM 681 C ILE A 85 3.119 5.782 -4.712 1.00 0.00 C ATOM 682 O ILE A 85 3.766 5.859 -5.756 1.00 0.00 O ATOM 683 CB ILE A 85 3.578 3.845 -3.100 1.00 0.00 C ATOM 684 CG1 ILE A 85 3.713 2.328 -3.248 1.00 0.00 C ATOM 685 CG2 ILE A 85 3.096 4.244 -1.704 1.00 0.00 C ATOM 686 CD1 ILE A 85 2.339 1.660 -3.320 1.00 0.00 C ATOM 0 H ILE A 85 3.397 3.330 -5.811 1.00 0.00 H new ATOM 0 HA ILE A 85 1.697 4.575 -3.701 1.00 0.00 H new ATOM 0 HB ILE A 85 4.573 4.271 -3.231 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.282 2.096 -4.148 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.273 1.925 -2.404 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.764 3.821 -0.954 1.00 0.00 H new ATOM 0 HG22 ILE A 85 3.094 5.330 -1.617 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.086 3.865 -1.546 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.463 0.582 -3.425 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.782 1.874 -2.408 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.791 2.047 -4.179 1.00 0.00 H new ATOM 687 N ALA A 86 2.767 6.821 -3.969 1.00 0.00 N ATOM 688 CA ALA A 86 3.133 8.174 -4.352 1.00 0.00 C ATOM 689 C ALA A 86 4.249 8.675 -3.433 1.00 0.00 C ATOM 690 O ALA A 86 4.005 8.992 -2.270 1.00 0.00 O ATOM 691 CB ALA A 86 1.894 9.071 -4.307 1.00 0.00 C ATOM 0 H ALA A 86 2.232 6.753 -3.103 1.00 0.00 H new ATOM 0 HA ALA A 86 3.513 8.194 -5.374 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.169 10.086 -4.594 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.143 8.689 -4.998 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.486 9.078 -3.296 1.00 0.00 H new ATOM 692 N ARG A 87 5.450 8.730 -3.988 1.00 0.00 N ATOM 693 CA ARG A 87 6.605 9.187 -3.234 1.00 0.00 C ATOM 694 C ARG A 87 6.328 10.563 -2.622 1.00 0.00 C ATOM 695 O ARG A 87 5.189 11.028 -2.621 1.00 0.00 O ATOM 696 CB ARG A 87 7.847 9.272 -4.123 1.00 0.00 C ATOM 697 CG ARG A 87 8.169 7.912 -4.746 1.00 0.00 C ATOM 698 CD ARG A 87 9.656 7.581 -4.601 1.00 0.00 C ATOM 699 NE ARG A 87 10.440 8.324 -5.612 1.00 0.00 N ATOM 700 CZ ARG A 87 11.779 8.365 -5.643 1.00 0.00 C ATOM 0 H ARG A 87 5.649 8.465 -4.953 1.00 0.00 H new ATOM 0 HA ARG A 87 6.791 8.463 -2.441 1.00 0.00 H new ATOM 0 HB2 ARG A 87 7.685 10.008 -4.911 1.00 0.00 H new ATOM 0 HB3 ARG A 87 8.697 9.617 -3.534 1.00 0.00 H new ATOM 0 HG2 ARG A 87 7.572 7.137 -4.265 1.00 0.00 H new ATOM 0 HG3 ARG A 87 7.895 7.917 -5.801 1.00 0.00 H new ATOM 0 HD2 ARG A 87 9.999 7.841 -3.600 1.00 0.00 H new ATOM 0 HD3 ARG A 87 9.812 6.509 -4.723 1.00 0.00 H new ATOM 0 HE ARG A 87 9.929 8.837 -6.330 1.00 0.00 H new ATOM 701 N GLN A 88 7.389 11.175 -2.118 1.00 0.00 N ATOM 702 CA GLN A 88 7.275 12.488 -1.506 1.00 0.00 C ATOM 703 C GLN A 88 7.113 13.564 -2.582 1.00 0.00 C ATOM 704 O GLN A 88 6.247 14.430 -2.473 1.00 0.00 O ATOM 705 CB GLN A 88 8.483 12.782 -0.614 1.00 0.00 C ATOM 706 CG GLN A 88 8.106 12.689 0.867 1.00 0.00 C ATOM 707 CD GLN A 88 9.133 13.413 1.741 1.00 0.00 C ATOM 708 OE1 GLN A 88 9.557 14.521 1.456 1.00 0.00 O ATOM 709 NE2 GLN A 88 9.506 12.727 2.817 1.00 0.00 N ATOM 0 H GLN A 88 8.332 10.786 -2.121 1.00 0.00 H new ATOM 0 HA GLN A 88 6.386 12.498 -0.875 1.00 0.00 H new ATOM 0 HB2 GLN A 88 9.283 12.075 -0.834 1.00 0.00 H new ATOM 0 HB3 GLN A 88 8.868 13.778 -0.833 1.00 0.00 H new ATOM 0 HG2 GLN A 88 7.119 13.125 1.023 1.00 0.00 H new ATOM 0 HG3 GLN A 88 8.043 11.642 1.165 1.00 0.00 H new ATOM 0 HE21 GLN A 88 9.111 11.804 2.995 1.00 0.00 H new ATOM 0 HE22 GLN A 88 10.187 13.124 3.464 1.00 0.00 H new ATOM 710 N PRO A 89 7.983 13.469 -3.624 1.00 0.00 N ATOM 711 CA PRO A 89 7.944 14.424 -4.718 1.00 0.00 C ATOM 712 C PRO A 89 6.754 14.152 -5.642 1.00 0.00 C ATOM 713 O PRO A 89 6.621 14.780 -6.691 1.00 0.00 O ATOM 714 CB PRO A 89 9.285 14.274 -5.418 1.00 0.00 C ATOM 715 CG PRO A 89 9.836 12.926 -4.981 1.00 0.00 C ATOM 716 CD PRO A 89 9.021 12.456 -3.787 1.00 0.00 C ATOM 0 HA PRO A 89 7.799 15.449 -4.377 1.00 0.00 H new ATOM 0 HB2 PRO A 89 9.167 14.315 -6.501 1.00 0.00 H new ATOM 0 HB3 PRO A 89 9.963 15.081 -5.140 1.00 0.00 H new ATOM 0 HG2 PRO A 89 9.771 12.205 -5.796 1.00 0.00 H new ATOM 0 HG3 PRO A 89 10.889 13.012 -4.714 1.00 0.00 H new ATOM 0 HD2 PRO A 89 8.589 11.471 -3.966 1.00 0.00 H new ATOM 0 HD3 PRO A 89 9.639 12.375 -2.893 1.00 0.00 H new ATOM 717 N ALA A 90 5.919 13.215 -5.217 1.00 0.00 N ATOM 718 CA ALA A 90 4.745 12.851 -5.993 1.00 0.00 C ATOM 719 C ALA A 90 3.567 13.732 -5.569 1.00 0.00 C ATOM 720 O ALA A 90 2.481 13.636 -6.136 1.00 0.00 O ATOM 721 CB ALA A 90 4.454 11.360 -5.811 1.00 0.00 C ATOM 0 H ALA A 90 6.032 12.697 -4.346 1.00 0.00 H new ATOM 0 HA ALA A 90 4.919 13.021 -7.056 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.574 11.087 -6.393 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.310 10.778 -6.153 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.271 11.151 -4.757 1.00 0.00 H new ATOM 722 N LYS A 91 3.823 14.568 -4.574 1.00 0.00 N ATOM 723 CA LYS A 91 2.798 15.465 -4.067 1.00 0.00 C ATOM 724 C LYS A 91 2.603 16.619 -5.052 1.00 0.00 C ATOM 725 O LYS A 91 1.490 17.115 -5.221 1.00 0.00 O ATOM 726 CB LYS A 91 3.139 15.920 -2.647 1.00 0.00 C ATOM 727 CG LYS A 91 4.288 16.929 -2.655 1.00 0.00 C ATOM 728 CD LYS A 91 3.788 18.332 -2.310 1.00 0.00 C ATOM 729 CE LYS A 91 4.356 18.803 -0.969 1.00 0.00 C ATOM 730 NZ LYS A 91 4.930 20.162 -1.098 1.00 0.00 N ATOM 0 H LYS A 91 4.726 14.643 -4.105 1.00 0.00 H new ATOM 0 HA LYS A 91 1.842 14.946 -3.990 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.260 16.368 -2.184 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.413 15.057 -2.041 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.050 16.624 -1.937 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.761 16.939 -3.637 1.00 0.00 H new ATOM 0 HD2 LYS A 91 4.078 19.029 -3.097 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.699 18.334 -2.268 1.00 0.00 H new ATOM 0 HE2 LYS A 91 3.569 18.804 -0.214 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.124 18.108 -0.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.311 20.467 -0.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 5.694 20.151 -1.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 4.188 20.825 -1.402 1.00 0.00 H new ATOM 731 N ASP A 92 3.703 17.013 -5.678 1.00 0.00 N ATOM 732 CA ASP A 92 3.667 18.100 -6.641 1.00 0.00 C ATOM 733 C ASP A 92 3.503 17.521 -8.049 1.00 0.00 C ATOM 734 O ASP A 92 3.847 18.172 -9.035 1.00 0.00 O ATOM 735 CB ASP A 92 4.966 18.906 -6.610 1.00 0.00 C ATOM 736 CG ASP A 92 4.785 20.422 -6.494 1.00 0.00 C ATOM 737 OD1 ASP A 92 3.902 20.944 -7.209 1.00 0.00 O ATOM 738 OD2 ASP A 92 5.532 21.023 -5.692 1.00 0.00 O ATOM 0 H ASP A 92 4.624 16.599 -5.537 1.00 0.00 H new ATOM 0 HA ASP A 92 2.832 18.752 -6.384 1.00 0.00 H new ATOM 0 HB2 ASP A 92 5.569 18.562 -5.770 1.00 0.00 H new ATOM 0 HB3 ASP A 92 5.531 18.691 -7.517 1.00 0.00 H new ATOM 739 N MET A 93 2.979 16.307 -8.097 1.00 0.00 N ATOM 740 CA MET A 93 2.764 15.634 -9.367 1.00 0.00 C ATOM 741 C MET A 93 1.317 15.794 -9.836 1.00 0.00 C ATOM 742 O MET A 93 0.422 16.031 -9.027 1.00 0.00 O ATOM 743 CB MET A 93 3.093 14.147 -9.219 1.00 0.00 C ATOM 744 CG MET A 93 3.139 13.457 -10.585 1.00 0.00 C ATOM 745 SD MET A 93 3.313 11.693 -10.371 1.00 0.00 S ATOM 746 CE MET A 93 2.381 11.470 -8.864 1.00 0.00 C ATOM 0 H MET A 93 2.696 15.770 -7.277 1.00 0.00 H new ATOM 0 HA MET A 93 3.418 16.087 -10.112 1.00 0.00 H new ATOM 0 HB2 MET A 93 4.053 14.032 -8.717 1.00 0.00 H new ATOM 0 HB3 MET A 93 2.344 13.666 -8.590 1.00 0.00 H new ATOM 0 HG2 MET A 93 2.229 13.676 -11.143 1.00 0.00 H new ATOM 0 HG3 MET A 93 3.973 13.845 -11.170 1.00 0.00 H new ATOM 0 HE1 MET A 93 2.190 10.408 -8.708 1.00 0.00 H new ATOM 0 HE2 MET A 93 2.951 11.864 -8.022 1.00 0.00 H new ATOM 0 HE3 MET A 93 1.433 12.002 -8.941 1.00 0.00 H new ATOM 747 N THR A 94 1.132 15.658 -11.140 1.00 0.00 N ATOM 748 CA THR A 94 -0.191 15.784 -11.726 1.00 0.00 C ATOM 749 C THR A 94 -0.605 14.472 -12.396 1.00 0.00 C ATOM 750 O THR A 94 0.242 13.722 -12.877 1.00 0.00 O ATOM 751 CB THR A 94 -0.172 16.976 -12.686 1.00 0.00 C ATOM 752 OG1 THR A 94 1.173 17.023 -13.154 1.00 0.00 O ATOM 753 CG2 THR A 94 -0.361 18.311 -11.964 1.00 0.00 C ATOM 0 H THR A 94 1.877 15.462 -11.808 1.00 0.00 H new ATOM 0 HA THR A 94 -0.945 15.975 -10.962 1.00 0.00 H new ATOM 0 HB THR A 94 -0.956 16.853 -13.434 1.00 0.00 H new ATOM 0 HG1 THR A 94 1.177 17.123 -14.129 1.00 0.00 H new ATOM 0 HG21 THR A 94 -0.340 19.124 -12.690 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.320 18.312 -11.446 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.442 18.450 -11.240 1.00 0.00 H new ATOM 754 N THR A 95 -1.909 14.236 -12.406 1.00 0.00 N ATOM 755 CA THR A 95 -2.447 13.027 -13.007 1.00 0.00 C ATOM 756 C THR A 95 -1.829 12.800 -14.388 1.00 0.00 C ATOM 757 O THR A 95 -1.806 11.675 -14.885 1.00 0.00 O ATOM 758 CB THR A 95 -3.971 13.152 -13.037 1.00 0.00 C ATOM 759 OG1 THR A 95 -4.376 12.767 -11.725 1.00 0.00 O ATOM 760 CG2 THR A 95 -4.627 12.112 -13.948 1.00 0.00 C ATOM 0 H THR A 95 -2.609 14.862 -12.007 1.00 0.00 H new ATOM 0 HA THR A 95 -2.191 12.145 -12.420 1.00 0.00 H new ATOM 0 HB THR A 95 -4.246 14.152 -13.371 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.583 12.602 -11.173 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.709 12.245 -13.933 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.260 12.238 -14.967 1.00 0.00 H new ATOM 0 HG23 THR A 95 -4.380 11.111 -13.594 1.00 0.00 H new ATOM 761 N LEU A 96 -1.345 13.887 -14.971 1.00 0.00 N ATOM 762 CA LEU A 96 -0.728 13.820 -16.285 1.00 0.00 C ATOM 763 C LEU A 96 0.616 13.098 -16.177 1.00 0.00 C ATOM 764 O LEU A 96 0.965 12.296 -17.042 1.00 0.00 O ATOM 765 CB LEU A 96 -0.628 15.217 -16.902 1.00 0.00 C ATOM 766 CG LEU A 96 -0.325 15.268 -18.401 1.00 0.00 C ATOM 767 CD1 LEU A 96 1.178 15.405 -18.652 1.00 0.00 C ATOM 768 CD2 LEU A 96 -0.919 14.057 -19.122 1.00 0.00 C ATOM 0 H LEU A 96 -1.368 14.819 -14.558 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.348 13.239 -16.967 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.568 15.740 -16.723 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.149 15.770 -16.375 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.803 16.155 -18.816 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.366 15.439 -19.725 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.542 16.323 -18.191 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.699 14.551 -18.219 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.689 14.118 -20.186 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.492 13.143 -18.710 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.000 14.046 -18.985 1.00 0.00 H new ATOM 769 N GLN A 97 1.334 13.408 -15.108 1.00 0.00 N ATOM 770 CA GLN A 97 2.632 12.799 -14.875 1.00 0.00 C ATOM 771 C GLN A 97 2.465 11.431 -14.211 1.00 0.00 C ATOM 772 O GLN A 97 3.425 10.667 -14.105 1.00 0.00 O ATOM 773 CB GLN A 97 3.524 13.713 -14.033 1.00 0.00 C ATOM 774 CG GLN A 97 3.336 15.178 -14.428 1.00 0.00 C ATOM 775 CD GLN A 97 4.369 16.070 -13.736 1.00 0.00 C ATOM 776 OE1 GLN A 97 5.374 15.613 -13.218 1.00 0.00 O ATOM 777 NE2 GLN A 97 4.068 17.365 -13.758 1.00 0.00 N ATOM 0 H GLN A 97 1.041 14.074 -14.393 1.00 0.00 H new ATOM 0 HA GLN A 97 3.122 12.656 -15.838 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.288 13.584 -12.977 1.00 0.00 H new ATOM 0 HB3 GLN A 97 4.568 13.429 -14.163 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.427 15.281 -15.509 1.00 0.00 H new ATOM 0 HG3 GLN A 97 2.331 15.504 -14.160 1.00 0.00 H new ATOM 0 HE21 GLN A 97 3.210 17.681 -14.209 1.00 0.00 H new ATOM 0 HE22 GLN A 97 4.696 18.042 -13.324 1.00 0.00 H new ATOM 778 N ILE A 98 1.242 11.163 -13.780 1.00 0.00 N ATOM 779 CA ILE A 98 0.937 9.900 -13.129 1.00 0.00 C ATOM 780 C ILE A 98 0.629 8.844 -14.192 1.00 0.00 C ATOM 781 O ILE A 98 1.101 7.712 -14.102 1.00 0.00 O ATOM 782 CB ILE A 98 -0.183 10.083 -12.103 1.00 0.00 C ATOM 783 CG1 ILE A 98 0.261 11.007 -10.966 1.00 0.00 C ATOM 784 CG2 ILE A 98 -0.677 8.732 -11.584 1.00 0.00 C ATOM 785 CD1 ILE A 98 -0.934 11.745 -10.361 1.00 0.00 C ATOM 0 H ILE A 98 0.450 11.799 -13.869 1.00 0.00 H new ATOM 0 HA ILE A 98 1.800 9.544 -12.566 1.00 0.00 H new ATOM 0 HB ILE A 98 -1.026 10.565 -12.599 1.00 0.00 H new ATOM 0 HG12 ILE A 98 0.762 10.424 -10.193 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.987 11.729 -11.341 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -1.473 8.891 -10.856 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -1.059 8.140 -12.416 1.00 0.00 H new ATOM 0 HG23 ILE A 98 0.148 8.201 -11.109 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -0.591 12.394 -9.556 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.418 12.346 -11.131 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.646 11.021 -9.965 1.00 0.00 H new ATOM 786 N GLN A 99 -0.160 9.252 -15.175 1.00 0.00 N ATOM 787 CA GLN A 99 -0.534 8.355 -16.255 1.00 0.00 C ATOM 788 C GLN A 99 0.638 8.165 -17.220 1.00 0.00 C ATOM 789 O GLN A 99 0.592 7.302 -18.096 1.00 0.00 O ATOM 790 CB GLN A 99 -1.772 8.871 -16.991 1.00 0.00 C ATOM 791 CG GLN A 99 -1.491 10.219 -17.658 1.00 0.00 C ATOM 792 CD GLN A 99 -2.778 11.033 -17.815 1.00 0.00 C ATOM 793 OE1 GLN A 99 -3.462 11.185 -16.685 1.00 0.00 O flip ATOM 794 NE2 GLN A 99 -3.126 11.491 -18.890 1.00 0.00 N flip ATOM 0 H GLN A 99 -0.551 10.192 -15.246 1.00 0.00 H new ATOM 0 HA GLN A 99 -0.784 7.385 -15.825 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -2.080 8.146 -17.744 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -2.600 8.974 -16.290 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -0.772 10.781 -17.062 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -1.037 10.057 -18.636 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -2.553 11.337 -19.720 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -3.990 12.028 -18.960 1.00 0.00 H new ATOM 795 N ASN A 100 1.661 8.984 -17.026 1.00 0.00 N ATOM 796 CA ASN A 100 2.843 8.916 -17.867 1.00 0.00 C ATOM 797 C ASN A 100 3.931 8.116 -17.149 1.00 0.00 C ATOM 798 O ASN A 100 4.933 7.741 -17.754 1.00 0.00 O ATOM 799 CB ASN A 100 3.396 10.314 -18.154 1.00 0.00 C ATOM 800 CG ASN A 100 2.694 10.944 -19.359 1.00 0.00 C ATOM 801 OD1 ASN A 100 2.485 10.318 -20.385 1.00 0.00 O ATOM 802 ND2 ASN A 100 2.346 12.215 -19.179 1.00 0.00 N ATOM 0 H ASN A 100 1.695 9.698 -16.299 1.00 0.00 H new ATOM 0 HA ASN A 100 2.561 8.439 -18.806 1.00 0.00 H new ATOM 0 HB2 ASN A 100 3.263 10.949 -17.278 1.00 0.00 H new ATOM 0 HB3 ASN A 100 4.468 10.253 -18.344 1.00 0.00 H new ATOM 0 HD21 ASN A 100 1.874 12.725 -19.926 1.00 0.00 H new ATOM 0 HD22 ASN A 100 2.551 12.680 -18.294 1.00 0.00 H new ATOM 803 N SER A 101 3.696 7.879 -15.867 1.00 0.00 N ATOM 804 CA SER A 101 4.644 7.130 -15.058 1.00 0.00 C ATOM 805 C SER A 101 4.342 5.634 -15.151 1.00 0.00 C ATOM 806 O SER A 101 5.251 4.823 -15.324 1.00 0.00 O ATOM 807 CB SER A 101 4.607 7.590 -13.599 1.00 0.00 C ATOM 808 OG SER A 101 5.129 8.906 -13.441 1.00 0.00 O ATOM 0 H SER A 101 2.863 8.192 -15.368 1.00 0.00 H new ATOM 0 HA SER A 101 5.646 7.317 -15.444 1.00 0.00 H new ATOM 0 HB2 SER A 101 3.580 7.561 -13.236 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.181 6.896 -12.985 1.00 0.00 H new ATOM 0 HG SER A 101 4.391 9.537 -13.311 1.00 0.00 H new ATOM 809 N LEU A 102 3.063 5.311 -15.030 1.00 0.00 N ATOM 810 CA LEU A 102 2.629 3.926 -15.099 1.00 0.00 C ATOM 811 C LEU A 102 3.272 3.255 -16.314 1.00 0.00 C ATOM 812 O LEU A 102 3.763 2.130 -16.220 1.00 0.00 O ATOM 813 CB LEU A 102 1.103 3.840 -15.084 1.00 0.00 C ATOM 814 CG LEU A 102 0.449 3.736 -13.705 1.00 0.00 C ATOM 815 CD1 LEU A 102 0.022 5.114 -13.195 1.00 0.00 C ATOM 816 CD2 LEU A 102 -0.717 2.746 -13.723 1.00 0.00 C ATOM 0 H LEU A 102 2.312 5.986 -14.884 1.00 0.00 H new ATOM 0 HA LEU A 102 2.963 3.378 -14.218 1.00 0.00 H new ATOM 0 HB2 LEU A 102 0.705 4.721 -15.587 1.00 0.00 H new ATOM 0 HB3 LEU A 102 0.802 2.973 -15.673 1.00 0.00 H new ATOM 0 HG LEU A 102 1.189 3.348 -13.005 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -0.440 5.011 -12.213 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.896 5.761 -13.119 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.695 5.553 -13.889 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -1.164 2.692 -12.730 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.467 3.080 -14.440 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -0.353 1.760 -14.011 1.00 0.00 H new ATOM 817 N GLU A 103 3.249 3.972 -17.428 1.00 0.00 N ATOM 818 CA GLU A 103 3.823 3.460 -18.660 1.00 0.00 C ATOM 819 C GLU A 103 5.260 2.991 -18.422 1.00 0.00 C ATOM 820 O GLU A 103 5.781 2.170 -19.175 1.00 0.00 O ATOM 821 CB GLU A 103 3.766 4.512 -19.770 1.00 0.00 C ATOM 822 CG GLU A 103 4.980 5.442 -19.706 1.00 0.00 C ATOM 823 CD GLU A 103 4.764 6.686 -20.570 1.00 0.00 C ATOM 824 OE1 GLU A 103 3.620 6.857 -21.042 1.00 0.00 O ATOM 825 OE2 GLU A 103 5.748 7.438 -20.739 1.00 0.00 O ATOM 0 H GLU A 103 2.841 4.904 -17.503 1.00 0.00 H new ATOM 0 HA GLU A 103 3.232 2.604 -18.985 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.731 4.019 -20.742 1.00 0.00 H new ATOM 0 HB3 GLU A 103 2.850 5.096 -19.676 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.161 5.739 -18.673 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.869 4.910 -20.045 1.00 0.00 H new ATOM 826 N HIS A 104 5.859 3.533 -17.372 1.00 0.00 N ATOM 827 CA HIS A 104 7.225 3.179 -17.024 1.00 0.00 C ATOM 828 C HIS A 104 7.244 2.480 -15.664 1.00 0.00 C ATOM 829 O HIS A 104 7.420 1.265 -15.589 1.00 0.00 O ATOM 830 CB HIS A 104 8.133 4.410 -17.072 1.00 0.00 C ATOM 831 CG HIS A 104 9.312 4.339 -16.133 1.00 0.00 C ATOM 832 ND1 HIS A 104 9.834 3.290 -15.434 1.00 0.00 N flip ATOM 833 CD2 HIS A 104 10.094 5.439 -15.827 1.00 0.00 C flip ATOM 834 CE1 HIS A 104 10.878 3.726 -14.740 1.00 0.00 C flip ATOM 835 NE2 HIS A 104 11.040 5.058 -14.982 1.00 0.00 N flip ATOM 0 H HIS A 104 5.424 4.215 -16.751 1.00 0.00 H new ATOM 0 HA HIS A 104 7.622 2.478 -17.758 1.00 0.00 H new ATOM 0 HB2 HIS A 104 8.500 4.539 -18.090 1.00 0.00 H new ATOM 0 HB3 HIS A 104 7.543 5.294 -16.831 1.00 0.00 H new ATOM 0 HD2 HIS A 104 9.956 6.439 -16.212 1.00 0.00 H new ATOM 0 HE1 HIS A 104 11.497 3.125 -14.091 1.00 0.00 H new ATOM 0 HE2 HIS A 104 11.763 5.656 -14.582 1.00 0.00 H new ATOM 836 N VAL A 105 7.061 3.278 -14.622 1.00 0.00 N ATOM 837 CA VAL A 105 7.055 2.751 -13.268 1.00 0.00 C ATOM 838 C VAL A 105 6.339 1.399 -13.254 1.00 0.00 C ATOM 839 O VAL A 105 6.881 0.410 -12.765 1.00 0.00 O ATOM 840 CB VAL A 105 6.429 3.769 -12.313 1.00 0.00 C ATOM 841 CG1 VAL A 105 4.903 3.738 -12.402 1.00 0.00 C ATOM 842 CG2 VAL A 105 6.900 3.534 -10.876 1.00 0.00 C ATOM 0 H VAL A 105 6.916 4.285 -14.688 1.00 0.00 H new ATOM 0 HA VAL A 105 8.074 2.582 -12.920 1.00 0.00 H new ATOM 0 HB VAL A 105 6.762 4.762 -12.616 1.00 0.00 H new ATOM 0 HG11 VAL A 105 4.483 4.471 -11.713 1.00 0.00 H new ATOM 0 HG12 VAL A 105 4.593 3.977 -13.419 1.00 0.00 H new ATOM 0 HG13 VAL A 105 4.543 2.744 -12.137 1.00 0.00 H new ATOM 0 HG21 VAL A 105 6.440 4.271 -10.217 1.00 0.00 H new ATOM 0 HG22 VAL A 105 6.611 2.532 -10.558 1.00 0.00 H new ATOM 0 HG23 VAL A 105 7.985 3.631 -10.828 1.00 0.00 H new ATOM 843 N LEU A 106 5.130 1.401 -13.796 1.00 0.00 N ATOM 844 CA LEU A 106 4.333 0.188 -13.853 1.00 0.00 C ATOM 845 C LEU A 106 5.041 -0.842 -14.737 1.00 0.00 C ATOM 846 O LEU A 106 5.111 -2.019 -14.389 1.00 0.00 O ATOM 847 CB LEU A 106 2.905 0.504 -14.302 1.00 0.00 C ATOM 848 CG LEU A 106 2.444 -0.168 -15.596 1.00 0.00 C ATOM 849 CD1 LEU A 106 2.033 -1.620 -15.344 1.00 0.00 C ATOM 850 CD2 LEU A 106 1.326 0.636 -16.264 1.00 0.00 C ATOM 0 H LEU A 106 4.683 2.224 -14.200 1.00 0.00 H new ATOM 0 HA LEU A 106 4.240 -0.252 -12.860 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.222 0.215 -13.503 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.814 1.583 -14.424 1.00 0.00 H new ATOM 0 HG LEU A 106 3.285 -0.187 -16.289 1.00 0.00 H new ATOM 0 HD11 LEU A 106 1.709 -2.074 -16.280 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.883 -2.175 -14.946 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.214 -1.647 -14.626 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.017 0.136 -17.182 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.475 0.709 -15.586 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.688 1.636 -16.500 1.00 0.00 H new ATOM 851 N LYS A 107 5.548 -0.359 -15.861 1.00 0.00 N ATOM 852 CA LYS A 107 6.248 -1.223 -16.798 1.00 0.00 C ATOM 853 C LYS A 107 7.287 -2.052 -16.040 1.00 0.00 C ATOM 854 O LYS A 107 7.553 -3.198 -16.398 1.00 0.00 O ATOM 855 CB LYS A 107 6.835 -0.402 -17.948 1.00 0.00 C ATOM 856 CG LYS A 107 8.363 -0.456 -17.937 1.00 0.00 C ATOM 857 CD LYS A 107 8.948 0.303 -19.129 1.00 0.00 C ATOM 858 CE LYS A 107 10.437 -0.007 -19.300 1.00 0.00 C ATOM 859 NZ LYS A 107 11.116 1.098 -20.012 1.00 0.00 N ATOM 0 H LYS A 107 5.489 0.619 -16.145 1.00 0.00 H new ATOM 0 HA LYS A 107 5.555 -1.925 -17.261 1.00 0.00 H new ATOM 0 HB2 LYS A 107 6.461 -0.782 -18.899 1.00 0.00 H new ATOM 0 HB3 LYS A 107 6.504 0.633 -17.866 1.00 0.00 H new ATOM 0 HG2 LYS A 107 8.739 -0.027 -17.008 1.00 0.00 H new ATOM 0 HG3 LYS A 107 8.694 -1.494 -17.965 1.00 0.00 H new ATOM 0 HD2 LYS A 107 8.410 0.031 -20.037 1.00 0.00 H new ATOM 0 HD3 LYS A 107 8.810 1.375 -18.985 1.00 0.00 H new ATOM 0 HE2 LYS A 107 10.898 -0.157 -18.324 1.00 0.00 H new ATOM 0 HE3 LYS A 107 10.560 -0.936 -19.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 12.126 0.873 -20.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 10.686 1.222 -20.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 11.014 1.977 -19.466 1.00 0.00 H new ATOM 860 N ILE A 108 7.849 -1.438 -15.008 1.00 0.00 N ATOM 861 CA ILE A 108 8.854 -2.105 -14.198 1.00 0.00 C ATOM 862 C ILE A 108 8.168 -3.089 -13.249 1.00 0.00 C ATOM 863 O ILE A 108 8.719 -4.143 -12.936 1.00 0.00 O ATOM 864 CB ILE A 108 9.736 -1.077 -13.486 1.00 0.00 C ATOM 865 CG1 ILE A 108 10.166 0.035 -14.445 1.00 0.00 C ATOM 866 CG2 ILE A 108 10.934 -1.752 -12.816 1.00 0.00 C ATOM 867 CD1 ILE A 108 10.851 1.176 -13.691 1.00 0.00 C ATOM 0 H ILE A 108 7.627 -0.487 -14.715 1.00 0.00 H new ATOM 0 HA ILE A 108 9.527 -2.687 -14.828 1.00 0.00 H new ATOM 0 HB ILE A 108 9.147 -0.611 -12.696 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.846 -0.370 -15.195 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.295 0.418 -14.977 1.00 0.00 H new ATOM 0 HG21 ILE A 108 11.544 -0.999 -12.317 1.00 0.00 H new ATOM 0 HG22 ILE A 108 10.580 -2.476 -12.082 1.00 0.00 H new ATOM 0 HG23 ILE A 108 11.533 -2.263 -13.570 1.00 0.00 H new ATOM 0 HD11 ILE A 108 11.146 1.953 -14.396 1.00 0.00 H new ATOM 0 HD12 ILE A 108 10.160 1.594 -12.959 1.00 0.00 H new ATOM 0 HD13 ILE A 108 11.735 0.795 -13.180 1.00 0.00 H new ATOM 868 N ALA A 109 6.973 -2.709 -12.817 1.00 0.00 N ATOM 869 CA ALA A 109 6.206 -3.545 -11.910 1.00 0.00 C ATOM 870 C ALA A 109 6.095 -4.955 -12.493 1.00 0.00 C ATOM 871 O ALA A 109 6.058 -5.937 -11.752 1.00 0.00 O ATOM 872 CB ALA A 109 4.837 -2.907 -11.663 1.00 0.00 C ATOM 0 H ALA A 109 6.519 -1.834 -13.079 1.00 0.00 H new ATOM 0 HA ALA A 109 6.708 -3.626 -10.946 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.261 -3.534 -10.982 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.970 -1.919 -11.222 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.304 -2.813 -12.609 1.00 0.00 H new ATOM 873 N LYS A 110 6.043 -5.012 -13.816 1.00 0.00 N ATOM 874 CA LYS A 110 5.936 -6.286 -14.507 1.00 0.00 C ATOM 875 C LYS A 110 4.466 -6.700 -14.581 1.00 0.00 C ATOM 876 O LYS A 110 4.157 -7.866 -14.823 1.00 0.00 O ATOM 877 CB LYS A 110 6.837 -7.330 -13.846 1.00 0.00 C ATOM 878 CG LYS A 110 7.141 -8.481 -14.808 1.00 0.00 C ATOM 879 CD LYS A 110 8.642 -8.768 -14.864 1.00 0.00 C ATOM 880 CE LYS A 110 9.261 -8.209 -16.146 1.00 0.00 C ATOM 881 NZ LYS A 110 10.413 -9.035 -16.570 1.00 0.00 N ATOM 0 H LYS A 110 6.073 -4.196 -14.428 1.00 0.00 H new ATOM 0 HA LYS A 110 6.293 -6.194 -15.533 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.768 -6.862 -13.527 1.00 0.00 H new ATOM 0 HB3 LYS A 110 6.353 -7.719 -12.950 1.00 0.00 H new ATOM 0 HG2 LYS A 110 6.608 -9.377 -14.489 1.00 0.00 H new ATOM 0 HG3 LYS A 110 6.778 -8.232 -15.805 1.00 0.00 H new ATOM 0 HD2 LYS A 110 9.133 -8.326 -13.997 1.00 0.00 H new ATOM 0 HD3 LYS A 110 8.812 -9.843 -14.813 1.00 0.00 H new ATOM 0 HE2 LYS A 110 8.512 -8.185 -16.938 1.00 0.00 H new ATOM 0 HE3 LYS A 110 9.584 -7.181 -15.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 10.821 -8.641 -17.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 11.134 -9.036 -15.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 10.095 -10.009 -16.746 1.00 0.00 H new ATOM 882 N VAL A 111 3.597 -5.722 -14.369 1.00 0.00 N ATOM 883 CA VAL A 111 2.166 -5.970 -14.408 1.00 0.00 C ATOM 884 C VAL A 111 1.635 -5.640 -15.804 1.00 0.00 C ATOM 885 O VAL A 111 0.469 -5.278 -15.958 1.00 0.00 O ATOM 886 CB VAL A 111 1.467 -5.180 -13.300 1.00 0.00 C ATOM 887 CG1 VAL A 111 2.162 -5.393 -11.953 1.00 0.00 C ATOM 888 CG2 VAL A 111 1.393 -3.693 -13.650 1.00 0.00 C ATOM 0 H VAL A 111 3.857 -4.756 -14.170 1.00 0.00 H new ATOM 0 HA VAL A 111 1.955 -7.023 -14.220 1.00 0.00 H new ATOM 0 HB VAL A 111 0.447 -5.554 -13.214 1.00 0.00 H new ATOM 0 HG11 VAL A 111 1.646 -4.821 -11.183 1.00 0.00 H new ATOM 0 HG12 VAL A 111 2.139 -6.452 -11.695 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.197 -5.059 -12.021 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.892 -3.154 -12.846 1.00 0.00 H new ATOM 0 HG22 VAL A 111 2.401 -3.299 -13.777 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.833 -3.565 -14.577 1.00 0.00 H new ATOM 889 N PHE A 112 2.514 -5.778 -16.785 1.00 0.00 N ATOM 890 CA PHE A 112 2.147 -5.500 -18.163 1.00 0.00 C ATOM 891 C PHE A 112 2.435 -6.703 -19.062 1.00 0.00 C ATOM 892 O PHE A 112 3.589 -6.974 -19.392 1.00 0.00 O ATOM 893 CB PHE A 112 3.003 -4.318 -18.624 1.00 0.00 C ATOM 894 CG PHE A 112 2.212 -3.031 -18.861 1.00 0.00 C ATOM 895 CD1 PHE A 112 0.947 -3.091 -19.358 1.00 0.00 C ATOM 896 CD2 PHE A 112 2.773 -1.825 -18.573 1.00 0.00 C ATOM 897 CE1 PHE A 112 0.213 -1.896 -19.577 1.00 0.00 C ATOM 898 CE2 PHE A 112 2.037 -0.630 -18.793 1.00 0.00 C ATOM 899 CZ PHE A 112 0.774 -0.690 -19.290 1.00 0.00 C ATOM 0 H PHE A 112 3.480 -6.079 -16.653 1.00 0.00 H new ATOM 0 HA PHE A 112 1.081 -5.281 -18.226 1.00 0.00 H new ATOM 0 HB2 PHE A 112 3.772 -4.127 -17.876 1.00 0.00 H new ATOM 0 HB3 PHE A 112 3.516 -4.592 -19.546 1.00 0.00 H new ATOM 0 HD1 PHE A 112 0.501 -4.048 -19.586 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.777 -1.776 -18.178 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -0.791 -1.944 -19.972 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.482 0.327 -18.565 1.00 0.00 H new ATOM 0 HZ PHE A 112 0.215 0.219 -19.457 1.00 0.00 H new ATOM 900 N ASN A 113 1.368 -7.395 -19.432 1.00 0.00 N ATOM 901 CA ASN A 113 1.491 -8.564 -20.285 1.00 0.00 C ATOM 902 C ASN A 113 1.766 -8.114 -21.722 1.00 0.00 C ATOM 903 O ASN A 113 2.696 -8.602 -22.362 1.00 0.00 O ATOM 904 CB ASN A 113 0.201 -9.385 -20.285 1.00 0.00 C ATOM 905 CG ASN A 113 -1.028 -8.475 -20.250 1.00 0.00 C ATOM 906 OD1 ASN A 113 -1.605 -8.207 -19.207 1.00 0.00 O ATOM 907 ND2 ASN A 113 -1.397 -8.016 -21.442 1.00 0.00 N ATOM 0 H ASN A 113 0.413 -7.168 -19.156 1.00 0.00 H new ATOM 0 HA ASN A 113 2.307 -9.177 -19.902 1.00 0.00 H new ATOM 0 HB2 ASN A 113 0.166 -10.015 -21.174 1.00 0.00 H new ATOM 0 HB3 ASN A 113 0.190 -10.051 -19.422 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -2.207 -7.401 -21.523 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -0.870 -8.279 -22.275 1.00 0.00 H new ATOM 908 N LYS A 114 0.938 -7.190 -22.187 1.00 0.00 N ATOM 909 CA LYS A 114 1.080 -6.669 -23.535 1.00 0.00 C ATOM 910 C LYS A 114 2.213 -5.640 -23.564 1.00 0.00 C ATOM 911 O LYS A 114 2.769 -5.354 -24.623 1.00 0.00 O ATOM 912 CB LYS A 114 -0.256 -6.126 -24.044 1.00 0.00 C ATOM 913 CG LYS A 114 -0.556 -6.639 -25.454 1.00 0.00 C ATOM 914 CD LYS A 114 -1.441 -5.652 -26.219 1.00 0.00 C ATOM 915 CE LYS A 114 -0.948 -5.478 -27.658 1.00 0.00 C ATOM 916 NZ LYS A 114 -1.858 -6.162 -28.603 1.00 0.00 N ATOM 0 H LYS A 114 0.166 -6.789 -21.654 1.00 0.00 H new ATOM 0 HA LYS A 114 1.356 -7.467 -24.224 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -1.056 -6.425 -23.367 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -0.232 -5.036 -24.047 1.00 0.00 H new ATOM 0 HG2 LYS A 114 0.377 -6.792 -25.996 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -1.052 -7.608 -25.395 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -2.471 -6.009 -26.224 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -1.440 -4.688 -25.711 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -0.890 -4.418 -27.903 1.00 0.00 H new ATOM 0 HE3 LYS A 114 0.059 -5.884 -27.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -1.509 -6.034 -29.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -1.893 -7.177 -28.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -2.812 -5.756 -28.521 1.00 0.00 H new ATOM 917 N LYS A 115 2.521 -5.113 -22.388 1.00 0.00 N ATOM 918 CA LYS A 115 3.576 -4.123 -22.265 1.00 0.00 C ATOM 919 C LYS A 115 3.511 -3.163 -23.454 1.00 0.00 C ATOM 920 O LYS A 115 4.516 -2.928 -24.124 1.00 0.00 O ATOM 921 CB LYS A 115 4.936 -4.806 -22.101 1.00 0.00 C ATOM 922 CG LYS A 115 5.290 -5.627 -23.342 1.00 0.00 C ATOM 923 CD LYS A 115 6.804 -5.819 -23.458 1.00 0.00 C ATOM 924 CE LYS A 115 7.222 -6.005 -24.917 1.00 0.00 C ATOM 925 NZ LYS A 115 7.724 -7.379 -25.141 1.00 0.00 N ATOM 0 H LYS A 115 2.058 -5.354 -21.512 1.00 0.00 H new ATOM 0 HA LYS A 115 3.434 -3.526 -21.364 1.00 0.00 H new ATOM 0 HB2 LYS A 115 5.706 -4.054 -21.926 1.00 0.00 H new ATOM 0 HB3 LYS A 115 4.918 -5.454 -21.225 1.00 0.00 H new ATOM 0 HG2 LYS A 115 4.799 -6.599 -23.292 1.00 0.00 H new ATOM 0 HG3 LYS A 115 4.914 -5.126 -24.234 1.00 0.00 H new ATOM 0 HD2 LYS A 115 7.317 -4.955 -23.036 1.00 0.00 H new ATOM 0 HD3 LYS A 115 7.110 -6.687 -22.875 1.00 0.00 H new ATOM 0 HE2 LYS A 115 6.373 -5.810 -25.572 1.00 0.00 H new ATOM 0 HE3 LYS A 115 7.996 -5.282 -25.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 8.004 -7.488 -26.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 8.547 -7.552 -24.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 6.975 -8.064 -24.915 1.00 0.00 H new ATOM 926 N ILE A 116 2.317 -2.635 -23.683 1.00 0.00 N ATOM 927 CA ILE A 116 2.107 -1.706 -24.781 1.00 0.00 C ATOM 928 C ILE A 116 3.271 -0.715 -24.834 1.00 0.00 C ATOM 929 O ILE A 116 3.825 -0.347 -23.800 1.00 0.00 O ATOM 930 CB ILE A 116 0.736 -1.039 -24.663 1.00 0.00 C ATOM 931 CG1 ILE A 116 -0.260 -1.653 -25.648 1.00 0.00 C ATOM 932 CG2 ILE A 116 0.848 0.478 -24.831 1.00 0.00 C ATOM 933 CD1 ILE A 116 -0.292 -0.864 -26.958 1.00 0.00 C ATOM 0 H ILE A 116 1.485 -2.833 -23.127 1.00 0.00 H new ATOM 0 HA ILE A 116 2.096 -2.237 -25.733 1.00 0.00 H new ATOM 0 HB ILE A 116 0.352 -1.224 -23.660 1.00 0.00 H new ATOM 0 HG12 ILE A 116 0.014 -2.689 -25.850 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -1.255 -1.667 -25.203 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -0.141 0.928 -24.743 1.00 0.00 H new ATOM 0 HG22 ILE A 116 1.501 0.882 -24.058 1.00 0.00 H new ATOM 0 HG23 ILE A 116 1.264 0.706 -25.812 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -1.008 -1.321 -27.641 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -0.590 0.165 -26.756 1.00 0.00 H new ATOM 0 HD13 ILE A 116 0.699 -0.872 -27.412 1.00 0.00 H new ATOM 934 N LYS A 117 3.607 -0.311 -26.051 1.00 0.00 N ATOM 935 CA LYS A 117 4.695 0.630 -26.252 1.00 0.00 C ATOM 936 C LYS A 117 5.865 0.254 -25.340 1.00 0.00 C ATOM 937 O LYS A 117 6.250 -0.912 -25.269 1.00 0.00 O ATOM 938 CB LYS A 117 4.204 2.066 -26.060 1.00 0.00 C ATOM 939 CG LYS A 117 5.380 3.028 -25.876 1.00 0.00 C ATOM 940 CD LYS A 117 4.888 4.463 -25.676 1.00 0.00 C ATOM 941 CE LYS A 117 5.791 5.221 -24.701 1.00 0.00 C ATOM 942 NZ LYS A 117 5.875 6.650 -25.078 1.00 0.00 N ATOM 0 H LYS A 117 3.145 -0.618 -26.907 1.00 0.00 H new ATOM 0 HA LYS A 117 5.060 0.576 -27.278 1.00 0.00 H new ATOM 0 HB2 LYS A 117 3.612 2.370 -26.923 1.00 0.00 H new ATOM 0 HB3 LYS A 117 3.549 2.117 -25.191 1.00 0.00 H new ATOM 0 HG2 LYS A 117 5.975 2.721 -25.016 1.00 0.00 H new ATOM 0 HG3 LYS A 117 6.032 2.982 -26.748 1.00 0.00 H new ATOM 0 HD2 LYS A 117 4.866 4.981 -26.635 1.00 0.00 H new ATOM 0 HD3 LYS A 117 3.866 4.451 -25.297 1.00 0.00 H new ATOM 0 HE2 LYS A 117 5.401 5.128 -23.687 1.00 0.00 H new ATOM 0 HE3 LYS A 117 6.788 4.780 -24.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 6.492 7.151 -24.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 6.268 6.733 -26.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 4.924 7.071 -25.056 1.00 0.00 H new TER 943 LYS A 117