USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 772 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 64 THR OG1 : rot 106:sc= 0.692 USER MOD Set 1.2: A 83 SER OG : rot -46:sc= 1.39 USER MOD Set 2.1: A 7 LYS NZ :NH3+ -152:sc= -1.3! (180deg=-3.31!) USER MOD Set 2.2: A 73 TYR OH : rot 30:sc= 0.578 USER MOD Set 3.1: A 14 LYS NZ :NH3+ -143:sc= -1.75! (180deg=-5.02!) USER MOD Set 3.2: A 60 TYR OH : rot 180:sc= 0.768 USER MOD Set 4.1: A 13 ASN : amide:sc= -0.198 K(o=2.2,f=-2.1!) USER MOD Set 4.2: A 41 SER OG : rot 131:sc= 1.41 USER MOD Set 4.3: A 52 THR OG1 : rot -89:sc= 1.03 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -164:sc= -0.111 (180deg=-0.502) USER MOD Single : A 5 GLN : amide:sc= -0.196 K(o=-0.2,f=-0.7) USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot -171:sc= 1.21 USER MOD Single : A 17 LYS NZ :NH3+ 179:sc= 1.24 (180deg=1.17) USER MOD Single : A 20 ASN : amide:sc= -1.75! C(o=-1.7!,f=-3!) USER MOD Single : A 24 SER OG : rot -30:sc= 1.3 USER MOD Single : A 26 GLN : amide:sc= -2.53! C(o=-2.5!,f=-5.9!) USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 130:sc= 0.493 USER MOD Single : A 36 MET CE :methyl -162:sc= -0.0973 (180deg=-0.608) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 51 LYS NZ :NH3+ -147:sc= -0.914 (180deg=-1.77) USER MOD Single : A 56 GLN : amide:sc= -0.614 K(o=-0.61,f=-3.6!) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 59 GLN : amide:sc= 0.0605 K(o=0.06,f=-5.9!) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.0052) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 34:sc= 0.465 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.414 USER MOD Single : A 88 ASN : amide:sc= -1.37! K(o=-1.4!,f=-0.086) USER MOD Single : A 92 HIS : no HD1:sc= -0.0276 X(o=-0.028,f=-0.0073) USER MOD Single : A 93 HIS : no HD1:sc= -0.0774 X(o=-0.077,f=-0.085) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 HIS : no HD1:sc= -0.209 X(o=-0.21,f=-0.0066) USER MOD Single : A 96 HIS : no HE2:sc= 1.15 K(o=1.1,f=-5.6!) USER MOD Single : A 97 HIS : no HD1:sc= -0.049 X(o=-0.049,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.563 -18.574 -0.723 1.00 0.00 N ATOM 2 CA MET A 1 5.999 -18.282 -0.933 1.00 0.00 C ATOM 3 C MET A 1 6.209 -17.477 -2.216 1.00 0.00 C ATOM 4 O MET A 1 6.288 -16.252 -2.181 1.00 0.00 O ATOM 5 CB MET A 1 6.807 -19.583 -1.013 1.00 0.00 C ATOM 6 CG MET A 1 6.615 -20.513 0.172 1.00 0.00 C ATOM 7 SD MET A 1 7.429 -22.107 -0.067 1.00 0.00 S ATOM 8 CE MET A 1 6.940 -22.964 1.428 1.00 0.00 C ATOM 0 H1 MET A 1 4.410 -18.873 0.261 1.00 0.00 H new ATOM 0 H2 MET A 1 4.003 -17.719 -0.917 1.00 0.00 H new ATOM 0 H3 MET A 1 4.266 -19.335 -1.366 1.00 0.00 H new ATOM 0 HA MET A 1 6.346 -17.694 -0.084 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.530 -20.113 -1.924 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.865 -19.335 -1.097 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.008 -20.038 1.071 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.549 -20.673 0.336 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.366 -23.967 1.428 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.303 -22.415 2.297 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.853 -23.032 1.470 1.00 0.00 H new ATOM 20 N ALA A 2 6.269 -18.171 -3.350 1.00 0.00 N ATOM 21 CA ALA A 2 6.586 -17.537 -4.629 1.00 0.00 C ATOM 22 C ALA A 2 5.375 -16.865 -5.297 1.00 0.00 C ATOM 23 O ALA A 2 5.497 -15.730 -5.756 1.00 0.00 O ATOM 24 CB ALA A 2 7.226 -18.544 -5.573 1.00 0.00 C ATOM 0 H ALA A 2 6.102 -19.175 -3.410 1.00 0.00 H new ATOM 0 HA ALA A 2 7.294 -16.738 -4.410 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.457 -18.058 -6.521 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.145 -18.927 -5.128 1.00 0.00 H new ATOM 0 HB3 ALA A 2 6.536 -19.370 -5.747 1.00 0.00 H new ATOM 30 N PRO A 3 4.202 -17.547 -5.407 1.00 0.00 N ATOM 31 CA PRO A 3 3.002 -16.958 -6.030 1.00 0.00 C ATOM 32 C PRO A 3 2.655 -15.588 -5.454 1.00 0.00 C ATOM 33 O PRO A 3 2.260 -14.674 -6.184 1.00 0.00 O ATOM 34 CB PRO A 3 1.901 -17.969 -5.706 1.00 0.00 C ATOM 35 CG PRO A 3 2.617 -19.265 -5.581 1.00 0.00 C ATOM 36 CD PRO A 3 3.954 -18.939 -4.974 1.00 0.00 C ATOM 0 HA PRO A 3 3.143 -16.786 -7.097 1.00 0.00 H new ATOM 0 HB2 PRO A 3 1.383 -17.710 -4.783 1.00 0.00 H new ATOM 0 HB3 PRO A 3 1.149 -18.004 -6.494 1.00 0.00 H new ATOM 0 HG2 PRO A 3 2.061 -19.960 -4.951 1.00 0.00 H new ATOM 0 HG3 PRO A 3 2.735 -19.742 -6.554 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.932 -19.023 -3.887 1.00 0.00 H new ATOM 0 HD3 PRO A 3 4.732 -19.614 -5.331 1.00 0.00 H new ATOM 44 N LEU A 4 2.801 -15.455 -4.146 1.00 0.00 N ATOM 45 CA LEU A 4 2.625 -14.175 -3.485 1.00 0.00 C ATOM 46 C LEU A 4 3.897 -13.359 -3.643 1.00 0.00 C ATOM 47 O LEU A 4 4.908 -13.642 -2.999 1.00 0.00 O ATOM 48 CB LEU A 4 2.305 -14.377 -2.003 1.00 0.00 C ATOM 49 CG LEU A 4 1.926 -13.116 -1.230 1.00 0.00 C ATOM 50 CD1 LEU A 4 0.669 -12.490 -1.809 1.00 0.00 C ATOM 51 CD2 LEU A 4 1.731 -13.445 0.242 1.00 0.00 C ATOM 0 H LEU A 4 3.042 -16.223 -3.519 1.00 0.00 H new ATOM 0 HA LEU A 4 1.790 -13.643 -3.941 1.00 0.00 H new ATOM 0 HB2 LEU A 4 1.486 -15.091 -1.921 1.00 0.00 H new ATOM 0 HB3 LEU A 4 3.172 -14.830 -1.521 1.00 0.00 H new ATOM 0 HG LEU A 4 2.737 -12.394 -1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 4 0.416 -11.593 -1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.842 -12.225 -2.852 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -0.154 -13.202 -1.747 1.00 0.00 H new ATOM 0 HD21 LEU A 4 1.461 -12.539 0.785 1.00 0.00 H new ATOM 0 HD22 LEU A 4 0.935 -14.182 0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.657 -13.850 0.650 1.00 0.00 H new ATOM 63 N GLN A 5 3.860 -12.367 -4.515 1.00 0.00 N ATOM 64 CA GLN A 5 5.039 -11.573 -4.792 1.00 0.00 C ATOM 65 C GLN A 5 5.231 -10.531 -3.703 1.00 0.00 C ATOM 66 O GLN A 5 4.413 -9.626 -3.537 1.00 0.00 O ATOM 67 CB GLN A 5 4.937 -10.909 -6.167 1.00 0.00 C ATOM 68 CG GLN A 5 6.217 -10.208 -6.599 1.00 0.00 C ATOM 69 CD GLN A 5 7.407 -11.150 -6.674 1.00 0.00 C ATOM 70 OE1 GLN A 5 7.263 -12.338 -6.958 1.00 0.00 O ATOM 71 NE2 GLN A 5 8.594 -10.624 -6.411 1.00 0.00 N ATOM 0 H GLN A 5 3.029 -12.095 -5.040 1.00 0.00 H new ATOM 0 HA GLN A 5 5.908 -12.231 -4.803 1.00 0.00 H new ATOM 0 HB2 GLN A 5 4.678 -11.665 -6.908 1.00 0.00 H new ATOM 0 HB3 GLN A 5 4.123 -10.185 -6.152 1.00 0.00 H new ATOM 0 HG2 GLN A 5 6.062 -9.747 -7.575 1.00 0.00 H new ATOM 0 HG3 GLN A 5 6.440 -9.403 -5.898 1.00 0.00 H new ATOM 0 HE21 GLN A 5 8.673 -9.634 -6.179 1.00 0.00 H new ATOM 0 HE22 GLN A 5 9.429 -11.209 -6.440 1.00 0.00 H new ATOM 80 N GLN A 6 6.306 -10.683 -2.949 1.00 0.00 N ATOM 81 CA GLN A 6 6.601 -9.789 -1.848 1.00 0.00 C ATOM 82 C GLN A 6 7.652 -8.769 -2.257 1.00 0.00 C ATOM 83 O GLN A 6 8.740 -9.131 -2.709 1.00 0.00 O ATOM 84 CB GLN A 6 7.084 -10.585 -0.636 1.00 0.00 C ATOM 85 CG GLN A 6 6.086 -11.627 -0.158 1.00 0.00 C ATOM 86 CD GLN A 6 6.609 -12.444 1.006 1.00 0.00 C ATOM 87 OE1 GLN A 6 7.813 -12.662 1.137 1.00 0.00 O ATOM 88 NE2 GLN A 6 5.709 -12.901 1.862 1.00 0.00 N ATOM 0 H GLN A 6 6.993 -11.425 -3.083 1.00 0.00 H new ATOM 0 HA GLN A 6 5.688 -9.258 -1.580 1.00 0.00 H new ATOM 0 HB2 GLN A 6 8.022 -11.080 -0.887 1.00 0.00 H new ATOM 0 HB3 GLN A 6 7.296 -9.895 0.181 1.00 0.00 H new ATOM 0 HG2 GLN A 6 5.162 -11.131 0.138 1.00 0.00 H new ATOM 0 HG3 GLN A 6 5.840 -12.294 -0.984 1.00 0.00 H new ATOM 0 HE21 GLN A 6 4.720 -12.698 1.718 1.00 0.00 H new ATOM 0 HE22 GLN A 6 6.005 -13.456 2.665 1.00 0.00 H new ATOM 97 N LYS A 7 7.318 -7.499 -2.115 1.00 0.00 N ATOM 98 CA LYS A 7 8.235 -6.420 -2.447 1.00 0.00 C ATOM 99 C LYS A 7 8.307 -5.433 -1.294 1.00 0.00 C ATOM 100 O LYS A 7 7.279 -5.067 -0.732 1.00 0.00 O ATOM 101 CB LYS A 7 7.756 -5.697 -3.710 1.00 0.00 C ATOM 102 CG LYS A 7 8.670 -4.568 -4.167 1.00 0.00 C ATOM 103 CD LYS A 7 9.958 -5.085 -4.794 1.00 0.00 C ATOM 104 CE LYS A 7 9.741 -5.590 -6.218 1.00 0.00 C ATOM 105 NZ LYS A 7 8.950 -6.848 -6.271 1.00 0.00 N ATOM 0 H LYS A 7 6.411 -7.186 -1.769 1.00 0.00 H new ATOM 0 HA LYS A 7 9.225 -6.839 -2.627 1.00 0.00 H new ATOM 0 HB2 LYS A 7 7.662 -6.423 -4.517 1.00 0.00 H new ATOM 0 HB3 LYS A 7 6.760 -5.292 -3.528 1.00 0.00 H new ATOM 0 HG2 LYS A 7 8.142 -3.945 -4.889 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.913 -3.933 -3.315 1.00 0.00 H new ATOM 0 HD2 LYS A 7 10.702 -4.289 -4.802 1.00 0.00 H new ATOM 0 HD3 LYS A 7 10.361 -5.891 -4.181 1.00 0.00 H new ATOM 0 HE2 LYS A 7 9.230 -4.821 -6.797 1.00 0.00 H new ATOM 0 HE3 LYS A 7 10.709 -5.755 -6.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 9.215 -7.389 -7.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 9.145 -7.417 -5.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.936 -6.619 -6.309 1.00 0.00 H new ATOM 119 N GLN A 8 9.510 -5.020 -0.925 1.00 0.00 N ATOM 120 CA GLN A 8 9.656 -3.989 0.087 1.00 0.00 C ATOM 121 C GLN A 8 9.441 -2.625 -0.553 1.00 0.00 C ATOM 122 O GLN A 8 10.216 -2.189 -1.409 1.00 0.00 O ATOM 123 CB GLN A 8 11.023 -4.071 0.766 1.00 0.00 C ATOM 124 CG GLN A 8 11.189 -3.085 1.910 1.00 0.00 C ATOM 125 CD GLN A 8 12.404 -3.379 2.764 1.00 0.00 C ATOM 126 OE1 GLN A 8 13.500 -2.893 2.494 1.00 0.00 O ATOM 127 NE2 GLN A 8 12.217 -4.179 3.802 1.00 0.00 N ATOM 0 H GLN A 8 10.386 -5.377 -1.305 1.00 0.00 H new ATOM 0 HA GLN A 8 8.905 -4.142 0.862 1.00 0.00 H new ATOM 0 HB2 GLN A 8 11.173 -5.083 1.143 1.00 0.00 H new ATOM 0 HB3 GLN A 8 11.800 -3.889 0.024 1.00 0.00 H new ATOM 0 HG2 GLN A 8 11.270 -2.076 1.506 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.297 -3.107 2.535 1.00 0.00 H new ATOM 0 HE21 GLN A 8 11.290 -4.561 3.991 1.00 0.00 H new ATOM 0 HE22 GLN A 8 12.999 -4.413 4.413 1.00 0.00 H new ATOM 136 N VAL A 9 8.365 -1.968 -0.154 1.00 0.00 N ATOM 137 CA VAL A 9 7.964 -0.715 -0.767 1.00 0.00 C ATOM 138 C VAL A 9 7.881 0.403 0.260 1.00 0.00 C ATOM 139 O VAL A 9 7.888 0.161 1.470 1.00 0.00 O ATOM 140 CB VAL A 9 6.594 -0.841 -1.473 1.00 0.00 C ATOM 141 CG1 VAL A 9 6.660 -1.847 -2.612 1.00 0.00 C ATOM 142 CG2 VAL A 9 5.508 -1.228 -0.479 1.00 0.00 C ATOM 0 H VAL A 9 7.751 -2.285 0.596 1.00 0.00 H new ATOM 0 HA VAL A 9 8.729 -0.474 -1.505 1.00 0.00 H new ATOM 0 HB VAL A 9 6.342 0.132 -1.894 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.684 -1.917 -3.092 1.00 0.00 H new ATOM 0 HG12 VAL A 9 7.401 -1.522 -3.342 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.942 -2.824 -2.219 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.553 -1.311 -0.998 1.00 0.00 H new ATOM 0 HG22 VAL A 9 5.757 -2.186 -0.022 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.435 -0.465 0.296 1.00 0.00 H new ATOM 152 N VAL A 10 7.819 1.624 -0.237 1.00 0.00 N ATOM 153 CA VAL A 10 7.635 2.792 0.601 1.00 0.00 C ATOM 154 C VAL A 10 6.230 3.343 0.421 1.00 0.00 C ATOM 155 O VAL A 10 5.842 3.704 -0.690 1.00 0.00 O ATOM 156 CB VAL A 10 8.633 3.909 0.238 1.00 0.00 C ATOM 157 CG1 VAL A 10 8.516 5.078 1.205 1.00 0.00 C ATOM 158 CG2 VAL A 10 10.055 3.375 0.206 1.00 0.00 C ATOM 0 H VAL A 10 7.895 1.833 -1.232 1.00 0.00 H new ATOM 0 HA VAL A 10 7.801 2.481 1.632 1.00 0.00 H new ATOM 0 HB VAL A 10 8.385 4.271 -0.760 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.231 5.853 0.927 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.506 5.485 1.164 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.728 4.735 2.218 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.741 4.182 -0.052 1.00 0.00 H new ATOM 0 HG22 VAL A 10 10.316 2.977 1.186 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.130 2.583 -0.539 1.00 0.00 H new ATOM 168 N VAL A 11 5.459 3.387 1.492 1.00 0.00 N ATOM 169 CA VAL A 11 4.168 4.047 1.441 1.00 0.00 C ATOM 170 C VAL A 11 4.383 5.553 1.477 1.00 0.00 C ATOM 171 O VAL A 11 4.579 6.135 2.546 1.00 0.00 O ATOM 172 CB VAL A 11 3.248 3.631 2.605 1.00 0.00 C ATOM 173 CG1 VAL A 11 1.860 4.229 2.430 1.00 0.00 C ATOM 174 CG2 VAL A 11 3.169 2.120 2.709 1.00 0.00 C ATOM 0 H VAL A 11 5.700 2.980 2.396 1.00 0.00 H new ATOM 0 HA VAL A 11 3.675 3.746 0.516 1.00 0.00 H new ATOM 0 HB VAL A 11 3.673 4.016 3.532 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.225 3.924 3.262 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.932 5.316 2.409 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.427 3.876 1.494 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.515 1.846 3.537 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.770 1.712 1.780 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.166 1.715 2.885 1.00 0.00 H new ATOM 184 N SER A 12 4.390 6.165 0.302 1.00 0.00 N ATOM 185 CA SER A 12 4.677 7.585 0.179 1.00 0.00 C ATOM 186 C SER A 12 3.593 8.427 0.831 1.00 0.00 C ATOM 187 O SER A 12 3.879 9.279 1.677 1.00 0.00 O ATOM 188 CB SER A 12 4.817 7.975 -1.296 1.00 0.00 C ATOM 189 OG SER A 12 5.819 7.211 -1.949 1.00 0.00 O ATOM 0 H SER A 12 4.199 5.697 -0.584 1.00 0.00 H new ATOM 0 HA SER A 12 5.618 7.778 0.695 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.862 7.832 -1.802 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.061 9.035 -1.370 1.00 0.00 H new ATOM 0 HG SER A 12 5.986 7.584 -2.840 1.00 0.00 H new ATOM 195 N ASN A 13 2.349 8.182 0.446 1.00 0.00 N ATOM 196 CA ASN A 13 1.238 8.990 0.918 1.00 0.00 C ATOM 197 C ASN A 13 -0.096 8.335 0.607 1.00 0.00 C ATOM 198 O ASN A 13 -0.156 7.273 -0.019 1.00 0.00 O ATOM 199 CB ASN A 13 1.284 10.390 0.291 1.00 0.00 C ATOM 200 CG ASN A 13 1.363 10.380 -1.232 1.00 0.00 C ATOM 201 OD1 ASN A 13 0.828 9.493 -1.901 1.00 0.00 O ATOM 202 ND2 ASN A 13 2.048 11.368 -1.786 1.00 0.00 N ATOM 0 H ASN A 13 2.085 7.431 -0.191 1.00 0.00 H new ATOM 0 HA ASN A 13 1.335 9.077 2.000 1.00 0.00 H new ATOM 0 HB2 ASN A 13 0.396 10.944 0.596 1.00 0.00 H new ATOM 0 HB3 ASN A 13 2.146 10.927 0.687 1.00 0.00 H new ATOM 0 HD21 ASN A 13 2.147 11.414 -2.800 1.00 0.00 H new ATOM 0 HD22 ASN A 13 2.476 12.084 -1.199 1.00 0.00 H new ATOM 209 N LYS A 14 -1.157 8.980 1.061 1.00 0.00 N ATOM 210 CA LYS A 14 -2.509 8.547 0.780 1.00 0.00 C ATOM 211 C LYS A 14 -3.098 9.398 -0.338 1.00 0.00 C ATOM 212 O LYS A 14 -3.340 10.592 -0.154 1.00 0.00 O ATOM 213 CB LYS A 14 -3.360 8.672 2.044 1.00 0.00 C ATOM 214 CG LYS A 14 -4.842 8.440 1.817 1.00 0.00 C ATOM 215 CD LYS A 14 -5.683 8.866 3.017 1.00 0.00 C ATOM 216 CE LYS A 14 -5.594 10.365 3.295 1.00 0.00 C ATOM 217 NZ LYS A 14 -4.332 10.749 3.994 1.00 0.00 N ATOM 0 H LYS A 14 -1.102 9.821 1.636 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.499 7.505 0.462 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.000 7.957 2.784 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.219 9.667 2.467 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.164 8.994 0.935 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.015 7.384 1.611 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.724 8.594 2.841 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.355 8.317 3.899 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.663 10.909 2.353 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.447 10.669 3.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.531 11.506 4.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.947 9.922 4.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.638 11.086 3.297 1.00 0.00 H new ATOM 231 N ARG A 15 -3.309 8.793 -1.492 1.00 0.00 N ATOM 232 CA ARG A 15 -3.883 9.504 -2.621 1.00 0.00 C ATOM 233 C ARG A 15 -5.338 9.116 -2.804 1.00 0.00 C ATOM 234 O ARG A 15 -5.716 7.964 -2.604 1.00 0.00 O ATOM 235 CB ARG A 15 -3.101 9.232 -3.908 1.00 0.00 C ATOM 236 CG ARG A 15 -1.749 9.924 -3.960 1.00 0.00 C ATOM 237 CD ARG A 15 -1.030 9.641 -5.269 1.00 0.00 C ATOM 238 NE ARG A 15 0.268 10.312 -5.338 1.00 0.00 N ATOM 239 CZ ARG A 15 1.397 9.718 -5.730 1.00 0.00 C ATOM 240 NH1 ARG A 15 1.393 8.437 -6.082 1.00 0.00 N ATOM 241 NH2 ARG A 15 2.529 10.406 -5.773 1.00 0.00 N ATOM 0 H ARG A 15 -3.092 7.813 -1.673 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.822 10.571 -2.408 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.953 8.157 -4.012 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.698 9.556 -4.761 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.884 10.999 -3.843 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.134 9.587 -3.125 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.889 8.566 -5.380 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.652 9.968 -6.102 1.00 0.00 H new ATOM 0 HE ARG A 15 0.313 11.295 -5.070 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.524 7.903 -6.053 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.258 7.988 -6.381 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.538 11.390 -5.506 1.00 0.00 H new ATOM 0 HH22 ARG A 15 3.391 9.951 -6.073 1.00 0.00 H new ATOM 255 N GLU A 16 -6.148 10.089 -3.167 1.00 0.00 N ATOM 256 CA GLU A 16 -7.565 9.863 -3.384 1.00 0.00 C ATOM 257 C GLU A 16 -7.935 10.230 -4.814 1.00 0.00 C ATOM 258 O GLU A 16 -7.907 11.404 -5.187 1.00 0.00 O ATOM 259 CB GLU A 16 -8.381 10.699 -2.396 1.00 0.00 C ATOM 260 CG GLU A 16 -8.130 10.336 -0.940 1.00 0.00 C ATOM 261 CD GLU A 16 -8.707 11.358 0.018 1.00 0.00 C ATOM 262 OE1 GLU A 16 -9.781 11.918 -0.277 1.00 0.00 O ATOM 263 OE2 GLU A 16 -8.073 11.626 1.062 1.00 0.00 O ATOM 0 H GLU A 16 -5.848 11.052 -3.319 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.789 8.808 -3.223 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.147 11.753 -2.545 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.441 10.574 -2.616 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.567 9.359 -0.731 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.057 10.248 -0.770 1.00 0.00 H new ATOM 270 N LYS A 17 -8.260 9.231 -5.621 1.00 0.00 N ATOM 271 CA LYS A 17 -8.632 9.481 -7.005 1.00 0.00 C ATOM 272 C LYS A 17 -10.136 9.696 -7.116 1.00 0.00 C ATOM 273 O LYS A 17 -10.924 8.846 -6.698 1.00 0.00 O ATOM 274 CB LYS A 17 -8.231 8.319 -7.921 1.00 0.00 C ATOM 275 CG LYS A 17 -6.773 7.907 -7.826 1.00 0.00 C ATOM 276 CD LYS A 17 -6.377 7.038 -9.012 1.00 0.00 C ATOM 277 CE LYS A 17 -5.153 6.187 -8.715 1.00 0.00 C ATOM 278 NZ LYS A 17 -5.484 5.042 -7.826 1.00 0.00 N ATOM 0 H LYS A 17 -8.274 8.249 -5.345 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.098 10.376 -7.324 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.854 7.456 -7.684 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.449 8.596 -8.952 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.141 8.795 -7.793 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.605 7.361 -6.898 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.212 6.390 -9.281 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.176 7.673 -9.875 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.734 5.813 -9.649 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.386 6.803 -8.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.629 4.474 -7.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.845 5.400 -6.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.210 4.450 -8.278 1.00 0.00 H new ATOM 292 N PRO A 18 -10.550 10.844 -7.665 1.00 0.00 N ATOM 293 CA PRO A 18 -11.957 11.099 -7.959 1.00 0.00 C ATOM 294 C PRO A 18 -12.450 10.170 -9.061 1.00 0.00 C ATOM 295 O PRO A 18 -11.825 10.058 -10.119 1.00 0.00 O ATOM 296 CB PRO A 18 -11.973 12.560 -8.421 1.00 0.00 C ATOM 297 CG PRO A 18 -10.583 12.837 -8.881 1.00 0.00 C ATOM 298 CD PRO A 18 -9.686 11.976 -8.038 1.00 0.00 C ATOM 0 HA PRO A 18 -12.610 10.924 -7.104 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -12.692 12.711 -9.226 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -12.260 13.227 -7.608 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -10.468 12.601 -9.939 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -10.336 13.892 -8.761 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -8.808 11.645 -8.594 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -9.324 12.511 -7.160 1.00 0.00 H new ATOM 306 N VAL A 19 -13.554 9.486 -8.809 1.00 0.00 N ATOM 307 CA VAL A 19 -14.059 8.504 -9.754 1.00 0.00 C ATOM 308 C VAL A 19 -14.703 9.198 -10.947 1.00 0.00 C ATOM 309 O VAL A 19 -14.363 8.913 -12.097 1.00 0.00 O ATOM 310 CB VAL A 19 -15.076 7.549 -9.097 1.00 0.00 C ATOM 311 CG1 VAL A 19 -15.441 6.418 -10.047 1.00 0.00 C ATOM 312 CG2 VAL A 19 -14.525 6.995 -7.792 1.00 0.00 C ATOM 0 H VAL A 19 -14.115 9.592 -7.963 1.00 0.00 H new ATOM 0 HA VAL A 19 -13.209 7.912 -10.093 1.00 0.00 H new ATOM 0 HB VAL A 19 -15.981 8.114 -8.874 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -16.160 5.755 -9.565 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -15.881 6.832 -10.954 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -14.544 5.855 -10.304 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -15.257 6.323 -7.344 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -13.603 6.447 -7.989 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -14.319 7.817 -7.106 1.00 0.00 H new ATOM 322 N ASN A 20 -15.620 10.123 -10.656 1.00 0.00 N ATOM 323 CA ASN A 20 -16.329 10.880 -11.690 1.00 0.00 C ATOM 324 C ASN A 20 -17.005 9.956 -12.696 1.00 0.00 C ATOM 325 O ASN A 20 -17.101 10.282 -13.880 1.00 0.00 O ATOM 326 CB ASN A 20 -15.378 11.830 -12.429 1.00 0.00 C ATOM 327 CG ASN A 20 -14.947 13.013 -11.587 1.00 0.00 C ATOM 328 OD1 ASN A 20 -13.902 12.984 -10.939 1.00 0.00 O ATOM 329 ND2 ASN A 20 -15.753 14.062 -11.592 1.00 0.00 N ATOM 0 H ASN A 20 -15.891 10.367 -9.703 1.00 0.00 H new ATOM 0 HA ASN A 20 -17.096 11.465 -11.184 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -14.494 11.276 -12.746 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -15.867 12.194 -13.333 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -15.517 14.889 -11.044 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -16.610 14.044 -12.144 1.00 0.00 H new ATOM 336 N ASP A 21 -17.483 8.814 -12.227 1.00 0.00 N ATOM 337 CA ASP A 21 -18.130 7.855 -13.107 1.00 0.00 C ATOM 338 C ASP A 21 -19.573 8.273 -13.360 1.00 0.00 C ATOM 339 O ASP A 21 -20.088 9.179 -12.700 1.00 0.00 O ATOM 340 CB ASP A 21 -18.056 6.434 -12.531 1.00 0.00 C ATOM 341 CG ASP A 21 -18.927 6.224 -11.310 1.00 0.00 C ATOM 342 OD1 ASP A 21 -18.779 6.974 -10.326 1.00 0.00 O ATOM 343 OD2 ASP A 21 -19.738 5.273 -11.321 1.00 0.00 O ATOM 0 H ASP A 21 -17.436 8.530 -11.248 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.600 7.845 -14.059 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -18.351 5.723 -13.303 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -17.021 6.211 -12.271 1.00 0.00 H new ATOM 348 N ARG A 22 -20.215 7.626 -14.320 1.00 0.00 N ATOM 349 CA ARG A 22 -21.539 8.041 -14.764 1.00 0.00 C ATOM 350 C ARG A 22 -22.592 7.790 -13.696 1.00 0.00 C ATOM 351 O ARG A 22 -23.372 8.685 -13.365 1.00 0.00 O ATOM 352 CB ARG A 22 -21.915 7.330 -16.063 1.00 0.00 C ATOM 353 CG ARG A 22 -20.928 7.589 -17.188 1.00 0.00 C ATOM 354 CD ARG A 22 -21.420 7.035 -18.512 1.00 0.00 C ATOM 355 NE ARG A 22 -20.436 7.222 -19.576 1.00 0.00 N ATOM 356 CZ ARG A 22 -20.356 8.313 -20.336 1.00 0.00 C ATOM 357 NH1 ARG A 22 -21.190 9.325 -20.139 1.00 0.00 N ATOM 358 NH2 ARG A 22 -19.437 8.398 -21.287 1.00 0.00 N ATOM 0 H ARG A 22 -19.842 6.811 -14.807 1.00 0.00 H new ATOM 0 HA ARG A 22 -21.504 9.115 -14.948 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -21.975 6.257 -15.879 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -22.907 7.656 -16.375 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -20.760 8.662 -17.283 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -19.968 7.137 -16.940 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -21.640 5.973 -18.403 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -22.353 7.527 -18.788 1.00 0.00 H new ATOM 0 HE ARG A 22 -19.769 6.470 -19.747 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -21.895 9.269 -19.404 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -21.126 10.159 -20.722 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -18.788 7.626 -21.439 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -19.379 9.235 -21.867 1.00 0.00 H new ATOM 372 N ARG A 23 -22.623 6.583 -13.155 1.00 0.00 N ATOM 373 CA ARG A 23 -23.585 6.259 -12.116 1.00 0.00 C ATOM 374 C ARG A 23 -22.879 5.827 -10.843 1.00 0.00 C ATOM 375 O ARG A 23 -22.674 4.632 -10.607 1.00 0.00 O ATOM 376 CB ARG A 23 -24.554 5.168 -12.569 1.00 0.00 C ATOM 377 CG ARG A 23 -25.308 5.508 -13.844 1.00 0.00 C ATOM 378 CD ARG A 23 -26.578 4.688 -13.965 1.00 0.00 C ATOM 379 NE ARG A 23 -27.553 5.054 -12.940 1.00 0.00 N ATOM 380 CZ ARG A 23 -28.626 4.328 -12.632 1.00 0.00 C ATOM 381 NH1 ARG A 23 -28.858 3.180 -13.259 1.00 0.00 N ATOM 382 NH2 ARG A 23 -29.464 4.751 -11.694 1.00 0.00 N ATOM 0 H ARG A 23 -22.000 5.819 -13.415 1.00 0.00 H new ATOM 0 HA ARG A 23 -24.160 7.163 -11.914 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -23.999 4.243 -12.722 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -25.273 4.980 -11.772 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -25.555 6.570 -13.851 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -24.669 5.324 -14.708 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -27.015 4.836 -14.953 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -26.338 3.628 -13.878 1.00 0.00 H new ATOM 0 HE ARG A 23 -27.402 5.922 -12.427 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -28.213 2.853 -13.978 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -29.681 2.626 -13.021 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -29.286 5.631 -11.210 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -30.286 4.196 -11.457 1.00 0.00 H new ATOM 396 N SER A 24 -22.482 6.805 -10.044 1.00 0.00 N ATOM 397 CA SER A 24 -21.854 6.538 -8.764 1.00 0.00 C ATOM 398 C SER A 24 -22.864 5.909 -7.810 1.00 0.00 C ATOM 399 O SER A 24 -23.852 6.540 -7.431 1.00 0.00 O ATOM 400 CB SER A 24 -21.300 7.836 -8.180 1.00 0.00 C ATOM 401 OG SER A 24 -20.502 8.517 -9.136 1.00 0.00 O ATOM 0 H SER A 24 -22.585 7.796 -10.263 1.00 0.00 H new ATOM 0 HA SER A 24 -21.030 5.839 -8.905 1.00 0.00 H new ATOM 0 HB2 SER A 24 -22.122 8.477 -7.862 1.00 0.00 H new ATOM 0 HB3 SER A 24 -20.706 7.617 -7.293 1.00 0.00 H new ATOM 0 HG SER A 24 -20.089 7.866 -9.741 1.00 0.00 H new ATOM 407 N ARG A 25 -22.630 4.656 -7.452 1.00 0.00 N ATOM 408 CA ARG A 25 -23.550 3.928 -6.593 1.00 0.00 C ATOM 409 C ARG A 25 -23.298 4.280 -5.136 1.00 0.00 C ATOM 410 O ARG A 25 -22.152 4.450 -4.717 1.00 0.00 O ATOM 411 CB ARG A 25 -23.417 2.423 -6.818 1.00 0.00 C ATOM 412 CG ARG A 25 -23.551 2.029 -8.279 1.00 0.00 C ATOM 413 CD ARG A 25 -23.576 0.523 -8.465 1.00 0.00 C ATOM 414 NE ARG A 25 -24.851 -0.065 -8.058 1.00 0.00 N ATOM 415 CZ ARG A 25 -25.690 -0.666 -8.903 1.00 0.00 C ATOM 416 NH1 ARG A 25 -25.410 -0.710 -10.201 1.00 0.00 N ATOM 417 NH2 ARG A 25 -26.815 -1.209 -8.456 1.00 0.00 N ATOM 0 H ARG A 25 -21.811 4.122 -7.743 1.00 0.00 H new ATOM 0 HA ARG A 25 -24.569 4.219 -6.847 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -22.449 2.089 -6.444 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -24.179 1.905 -6.236 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -24.465 2.459 -8.688 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -22.720 2.450 -8.845 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -23.386 0.285 -9.512 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -22.770 0.074 -7.885 1.00 0.00 H new ATOM 0 HE ARG A 25 -25.113 -0.013 -7.074 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -24.553 -0.284 -10.552 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -26.052 -1.170 -10.846 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -27.041 -1.168 -7.462 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -27.453 -1.667 -9.106 1.00 0.00 H new ATOM 431 N GLN A 26 -24.369 4.391 -4.372 1.00 0.00 N ATOM 432 CA GLN A 26 -24.278 4.853 -2.997 1.00 0.00 C ATOM 433 C GLN A 26 -23.938 3.710 -2.049 1.00 0.00 C ATOM 434 O GLN A 26 -24.487 2.612 -2.155 1.00 0.00 O ATOM 435 CB GLN A 26 -25.595 5.496 -2.567 1.00 0.00 C ATOM 436 CG GLN A 26 -26.027 6.672 -3.427 1.00 0.00 C ATOM 437 CD GLN A 26 -27.304 7.321 -2.923 1.00 0.00 C ATOM 438 OE1 GLN A 26 -27.519 8.519 -3.107 1.00 0.00 O ATOM 439 NE2 GLN A 26 -28.153 6.541 -2.274 1.00 0.00 N ATOM 0 H GLN A 26 -25.315 4.167 -4.680 1.00 0.00 H new ATOM 0 HA GLN A 26 -23.478 5.591 -2.949 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -26.379 4.739 -2.587 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -25.502 5.831 -1.534 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -25.230 7.415 -3.449 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -26.175 6.333 -4.452 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -27.939 5.553 -2.142 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -29.022 6.928 -1.906 1.00 0.00 H new ATOM 448 N GLN A 27 -23.019 3.976 -1.129 1.00 0.00 N ATOM 449 CA GLN A 27 -22.694 3.030 -0.070 1.00 0.00 C ATOM 450 C GLN A 27 -23.815 3.029 0.965 1.00 0.00 C ATOM 451 O GLN A 27 -24.198 1.986 1.493 1.00 0.00 O ATOM 452 CB GLN A 27 -21.361 3.408 0.583 1.00 0.00 C ATOM 453 CG GLN A 27 -20.923 2.464 1.692 1.00 0.00 C ATOM 454 CD GLN A 27 -19.587 2.854 2.293 1.00 0.00 C ATOM 455 OE1 GLN A 27 -19.228 4.032 2.327 1.00 0.00 O ATOM 456 NE2 GLN A 27 -18.848 1.874 2.782 1.00 0.00 N ATOM 0 H GLN A 27 -22.484 4.844 -1.096 1.00 0.00 H new ATOM 0 HA GLN A 27 -22.596 2.030 -0.492 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -20.587 3.434 -0.184 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -21.441 4.416 0.989 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -21.681 2.453 2.475 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -20.858 1.450 1.297 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -19.181 0.911 2.734 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -17.944 2.080 3.207 1.00 0.00 H new ATOM 465 N GLU A 28 -24.337 4.215 1.229 1.00 0.00 N ATOM 466 CA GLU A 28 -25.480 4.386 2.110 1.00 0.00 C ATOM 467 C GLU A 28 -26.732 4.581 1.269 1.00 0.00 C ATOM 468 O GLU A 28 -26.657 5.118 0.168 1.00 0.00 O ATOM 469 CB GLU A 28 -25.258 5.591 3.027 1.00 0.00 C ATOM 470 CG GLU A 28 -24.099 5.414 3.996 1.00 0.00 C ATOM 471 CD GLU A 28 -24.452 4.542 5.186 1.00 0.00 C ATOM 472 OE1 GLU A 28 -24.915 3.399 4.990 1.00 0.00 O ATOM 473 OE2 GLU A 28 -24.263 5.001 6.330 1.00 0.00 O ATOM 0 H GLU A 28 -23.980 5.087 0.838 1.00 0.00 H new ATOM 0 HA GLU A 28 -25.600 3.499 2.732 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -25.077 6.474 2.415 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -26.170 5.778 3.594 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -23.254 4.973 3.467 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -23.777 6.393 4.352 1.00 0.00 H new ATOM 480 N VAL A 29 -27.876 4.153 1.780 1.00 0.00 N ATOM 481 CA VAL A 29 -29.120 4.220 1.017 1.00 0.00 C ATOM 482 C VAL A 29 -29.613 5.664 0.907 1.00 0.00 C ATOM 483 O VAL A 29 -30.292 6.033 -0.055 1.00 0.00 O ATOM 484 CB VAL A 29 -30.216 3.337 1.653 1.00 0.00 C ATOM 485 CG1 VAL A 29 -31.474 3.320 0.795 1.00 0.00 C ATOM 486 CG2 VAL A 29 -29.700 1.922 1.870 1.00 0.00 C ATOM 0 H VAL A 29 -27.973 3.757 2.715 1.00 0.00 H new ATOM 0 HA VAL A 29 -28.911 3.841 0.017 1.00 0.00 H new ATOM 0 HB VAL A 29 -30.475 3.766 2.621 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -32.228 2.691 1.267 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -31.859 4.335 0.694 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -31.236 2.923 -0.192 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -30.485 1.313 2.319 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -29.409 1.490 0.913 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -28.836 1.948 2.534 1.00 0.00 H new ATOM 496 N SER A 30 -29.248 6.475 1.889 1.00 0.00 N ATOM 497 CA SER A 30 -29.612 7.883 1.904 1.00 0.00 C ATOM 498 C SER A 30 -29.015 8.610 0.695 1.00 0.00 C ATOM 499 O SER A 30 -27.865 8.364 0.323 1.00 0.00 O ATOM 500 CB SER A 30 -29.127 8.514 3.207 1.00 0.00 C ATOM 501 OG SER A 30 -29.556 7.742 4.318 1.00 0.00 O ATOM 0 H SER A 30 -28.695 6.178 2.693 1.00 0.00 H new ATOM 0 HA SER A 30 -30.696 7.974 1.843 1.00 0.00 H new ATOM 0 HB2 SER A 30 -28.039 8.584 3.202 1.00 0.00 H new ATOM 0 HB3 SER A 30 -29.511 9.531 3.292 1.00 0.00 H new ATOM 0 HG SER A 30 -29.237 8.156 5.147 1.00 0.00 H new ATOM 507 N PRO A 31 -29.794 9.514 0.071 1.00 0.00 N ATOM 508 CA PRO A 31 -29.402 10.218 -1.162 1.00 0.00 C ATOM 509 C PRO A 31 -28.302 11.260 -0.944 1.00 0.00 C ATOM 510 O PRO A 31 -28.476 12.441 -1.248 1.00 0.00 O ATOM 511 CB PRO A 31 -30.700 10.908 -1.618 1.00 0.00 C ATOM 512 CG PRO A 31 -31.784 10.324 -0.776 1.00 0.00 C ATOM 513 CD PRO A 31 -31.134 9.916 0.509 1.00 0.00 C ATOM 0 HA PRO A 31 -28.985 9.523 -1.891 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -30.638 11.988 -1.483 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -30.887 10.730 -2.677 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -32.576 11.052 -0.599 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -32.243 9.468 -1.270 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -31.098 10.737 1.225 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -31.667 9.096 0.991 1.00 0.00 H new ATOM 521 N ALA A 32 -27.178 10.813 -0.406 1.00 0.00 N ATOM 522 CA ALA A 32 -26.000 11.657 -0.241 1.00 0.00 C ATOM 523 C ALA A 32 -24.752 10.797 -0.068 1.00 0.00 C ATOM 524 O ALA A 32 -23.692 11.292 0.316 1.00 0.00 O ATOM 525 CB ALA A 32 -26.171 12.582 0.958 1.00 0.00 C ATOM 0 H ALA A 32 -27.054 9.857 -0.071 1.00 0.00 H new ATOM 0 HA ALA A 32 -25.884 12.267 -1.137 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -25.283 13.205 1.067 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -27.043 13.217 0.806 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -26.309 11.986 1.860 1.00 0.00 H new ATOM 531 N GLY A 33 -24.877 9.517 -0.395 1.00 0.00 N ATOM 532 CA GLY A 33 -23.819 8.572 -0.108 1.00 0.00 C ATOM 533 C GLY A 33 -22.722 8.562 -1.152 1.00 0.00 C ATOM 534 O GLY A 33 -22.848 7.912 -2.190 1.00 0.00 O ATOM 0 H GLY A 33 -25.695 9.117 -0.855 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -23.384 8.809 0.863 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -24.246 7.572 -0.031 1.00 0.00 H new ATOM 538 N THR A 34 -21.650 9.291 -0.884 1.00 0.00 N ATOM 539 CA THR A 34 -20.465 9.240 -1.721 1.00 0.00 C ATOM 540 C THR A 34 -19.388 8.412 -1.026 1.00 0.00 C ATOM 541 O THR A 34 -19.170 8.543 0.182 1.00 0.00 O ATOM 542 CB THR A 34 -19.923 10.653 -2.054 1.00 0.00 C ATOM 543 OG1 THR A 34 -18.687 10.551 -2.773 1.00 0.00 O ATOM 544 CG2 THR A 34 -19.716 11.481 -0.792 1.00 0.00 C ATOM 0 H THR A 34 -21.578 9.927 -0.090 1.00 0.00 H new ATOM 0 HA THR A 34 -20.742 8.772 -2.666 1.00 0.00 H new ATOM 0 HB THR A 34 -20.665 11.156 -2.674 1.00 0.00 H new ATOM 0 HG1 THR A 34 -18.354 11.449 -2.980 1.00 0.00 H new ATOM 0 HG21 THR A 34 -19.335 12.466 -1.062 1.00 0.00 H new ATOM 0 HG22 THR A 34 -20.666 11.590 -0.268 1.00 0.00 H new ATOM 0 HG23 THR A 34 -18.999 10.980 -0.142 1.00 0.00 H new ATOM 552 N SER A 35 -18.737 7.539 -1.775 1.00 0.00 N ATOM 553 CA SER A 35 -17.748 6.652 -1.199 1.00 0.00 C ATOM 554 C SER A 35 -16.354 7.257 -1.331 1.00 0.00 C ATOM 555 O SER A 35 -15.667 7.060 -2.337 1.00 0.00 O ATOM 556 CB SER A 35 -17.811 5.276 -1.875 1.00 0.00 C ATOM 557 OG SER A 35 -17.101 4.296 -1.133 1.00 0.00 O ATOM 0 H SER A 35 -18.876 7.427 -2.779 1.00 0.00 H new ATOM 0 HA SER A 35 -17.966 6.523 -0.139 1.00 0.00 H new ATOM 0 HB2 SER A 35 -18.852 4.969 -1.981 1.00 0.00 H new ATOM 0 HB3 SER A 35 -17.395 5.344 -2.880 1.00 0.00 H new ATOM 0 HG SER A 35 -17.670 3.509 -1.002 1.00 0.00 H new ATOM 563 N MET A 36 -15.957 8.030 -0.326 1.00 0.00 N ATOM 564 CA MET A 36 -14.622 8.606 -0.293 1.00 0.00 C ATOM 565 C MET A 36 -13.619 7.547 0.138 1.00 0.00 C ATOM 566 O MET A 36 -13.341 7.373 1.325 1.00 0.00 O ATOM 567 CB MET A 36 -14.560 9.815 0.646 1.00 0.00 C ATOM 568 CG MET A 36 -15.456 10.968 0.216 1.00 0.00 C ATOM 569 SD MET A 36 -15.265 12.429 1.259 1.00 0.00 S ATOM 570 CE MET A 36 -15.714 11.764 2.862 1.00 0.00 C ATOM 0 H MET A 36 -16.541 8.271 0.475 1.00 0.00 H new ATOM 0 HA MET A 36 -14.372 8.954 -1.295 1.00 0.00 H new ATOM 0 HB2 MET A 36 -14.845 9.500 1.650 1.00 0.00 H new ATOM 0 HB3 MET A 36 -13.530 10.168 0.703 1.00 0.00 H new ATOM 0 HG2 MET A 36 -15.229 11.232 -0.817 1.00 0.00 H new ATOM 0 HG3 MET A 36 -16.496 10.643 0.241 1.00 0.00 H new ATOM 0 HE1 MET A 36 -15.956 12.582 3.540 1.00 0.00 H new ATOM 0 HE2 MET A 36 -16.581 11.112 2.756 1.00 0.00 H new ATOM 0 HE3 MET A 36 -14.878 11.193 3.266 1.00 0.00 H new ATOM 580 N ARG A 37 -13.117 6.813 -0.838 1.00 0.00 N ATOM 581 CA ARG A 37 -12.213 5.707 -0.582 1.00 0.00 C ATOM 582 C ARG A 37 -10.770 6.186 -0.588 1.00 0.00 C ATOM 583 O ARG A 37 -10.330 6.848 -1.527 1.00 0.00 O ATOM 584 CB ARG A 37 -12.422 4.621 -1.636 1.00 0.00 C ATOM 585 CG ARG A 37 -13.842 4.080 -1.663 1.00 0.00 C ATOM 586 CD ARG A 37 -14.082 3.197 -2.872 1.00 0.00 C ATOM 587 NE ARG A 37 -15.415 2.599 -2.865 1.00 0.00 N ATOM 588 CZ ARG A 37 -15.815 1.660 -3.724 1.00 0.00 C ATOM 589 NH1 ARG A 37 -15.027 1.302 -4.734 1.00 0.00 N ATOM 590 NH2 ARG A 37 -17.017 1.111 -3.597 1.00 0.00 N ATOM 0 H ARG A 37 -13.323 6.965 -1.825 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.427 5.292 0.403 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -12.175 5.024 -2.618 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -11.731 3.800 -1.445 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -14.032 3.511 -0.753 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -14.548 4.911 -1.673 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.955 3.786 -3.780 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -13.332 2.407 -2.897 1.00 0.00 H new ATOM 0 HE ARG A 37 -16.080 2.919 -2.161 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -14.116 1.746 -4.852 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -15.334 0.584 -5.390 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -17.636 1.407 -2.842 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -17.322 0.393 -4.254 1.00 0.00 H new ATOM 604 N TYR A 38 -10.043 5.853 0.467 1.00 0.00 N ATOM 605 CA TYR A 38 -8.664 6.283 0.608 1.00 0.00 C ATOM 606 C TYR A 38 -7.723 5.238 0.030 1.00 0.00 C ATOM 607 O TYR A 38 -7.815 4.056 0.361 1.00 0.00 O ATOM 608 CB TYR A 38 -8.337 6.526 2.083 1.00 0.00 C ATOM 609 CG TYR A 38 -9.307 7.461 2.771 1.00 0.00 C ATOM 610 CD1 TYR A 38 -9.390 8.798 2.407 1.00 0.00 C ATOM 611 CD2 TYR A 38 -10.144 7.003 3.782 1.00 0.00 C ATOM 612 CE1 TYR A 38 -10.278 9.653 3.029 1.00 0.00 C ATOM 613 CE2 TYR A 38 -11.035 7.854 4.408 1.00 0.00 C ATOM 614 CZ TYR A 38 -11.098 9.177 4.028 1.00 0.00 C ATOM 615 OH TYR A 38 -11.983 10.028 4.651 1.00 0.00 O ATOM 0 H TYR A 38 -10.388 5.284 1.240 1.00 0.00 H new ATOM 0 HA TYR A 38 -8.531 7.215 0.058 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -8.332 5.571 2.608 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -7.331 6.938 2.161 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -8.749 9.176 1.624 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -10.097 5.967 4.083 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -10.329 10.691 2.733 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -11.679 7.484 5.192 1.00 0.00 H new ATOM 0 HH TYR A 38 -12.488 9.535 5.331 1.00 0.00 H new ATOM 625 N GLU A 39 -6.832 5.670 -0.844 1.00 0.00 N ATOM 626 CA GLU A 39 -5.869 4.774 -1.453 1.00 0.00 C ATOM 627 C GLU A 39 -4.466 5.103 -0.956 1.00 0.00 C ATOM 628 O GLU A 39 -4.214 6.207 -0.476 1.00 0.00 O ATOM 629 CB GLU A 39 -5.927 4.878 -2.978 1.00 0.00 C ATOM 630 CG GLU A 39 -7.310 4.643 -3.562 1.00 0.00 C ATOM 631 CD GLU A 39 -7.297 4.607 -5.075 1.00 0.00 C ATOM 632 OE1 GLU A 39 -6.835 5.586 -5.692 1.00 0.00 O ATOM 633 OE2 GLU A 39 -7.749 3.594 -5.660 1.00 0.00 O ATOM 0 H GLU A 39 -6.756 6.641 -1.148 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.116 3.751 -1.169 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.581 5.867 -3.278 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.235 4.154 -3.408 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.707 3.702 -3.182 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.983 5.432 -3.225 1.00 0.00 H new ATOM 640 N ALA A 40 -3.557 4.151 -1.072 1.00 0.00 N ATOM 641 CA ALA A 40 -2.193 4.346 -0.608 1.00 0.00 C ATOM 642 C ALA A 40 -1.204 4.189 -1.747 1.00 0.00 C ATOM 643 O ALA A 40 -1.347 3.297 -2.584 1.00 0.00 O ATOM 644 CB ALA A 40 -1.869 3.365 0.504 1.00 0.00 C ATOM 0 H ALA A 40 -3.738 3.235 -1.483 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.110 5.361 -0.220 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.845 3.523 0.841 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.554 3.521 1.338 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.976 2.346 0.133 1.00 0.00 H new ATOM 650 N SER A 41 -0.203 5.053 -1.781 1.00 0.00 N ATOM 651 CA SER A 41 0.811 4.999 -2.817 1.00 0.00 C ATOM 652 C SER A 41 2.015 4.193 -2.351 1.00 0.00 C ATOM 653 O SER A 41 2.725 4.598 -1.428 1.00 0.00 O ATOM 654 CB SER A 41 1.243 6.413 -3.194 1.00 0.00 C ATOM 655 OG SER A 41 0.120 7.216 -3.507 1.00 0.00 O ATOM 0 H SER A 41 -0.072 5.801 -1.100 1.00 0.00 H new ATOM 0 HA SER A 41 0.386 4.507 -3.692 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.797 6.861 -2.369 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.919 6.376 -4.049 1.00 0.00 H new ATOM 0 HG SER A 41 0.178 8.064 -3.018 1.00 0.00 H new ATOM 661 N PHE A 42 2.236 3.055 -2.988 1.00 0.00 N ATOM 662 CA PHE A 42 3.363 2.200 -2.658 1.00 0.00 C ATOM 663 C PHE A 42 4.458 2.365 -3.698 1.00 0.00 C ATOM 664 O PHE A 42 4.314 1.938 -4.848 1.00 0.00 O ATOM 665 CB PHE A 42 2.928 0.732 -2.593 1.00 0.00 C ATOM 666 CG PHE A 42 1.809 0.465 -1.624 1.00 0.00 C ATOM 667 CD1 PHE A 42 2.071 0.268 -0.279 1.00 0.00 C ATOM 668 CD2 PHE A 42 0.495 0.407 -2.062 1.00 0.00 C ATOM 669 CE1 PHE A 42 1.044 0.017 0.612 1.00 0.00 C ATOM 670 CE2 PHE A 42 -0.535 0.157 -1.177 1.00 0.00 C ATOM 671 CZ PHE A 42 -0.261 -0.038 0.162 1.00 0.00 C ATOM 0 H PHE A 42 1.646 2.701 -3.741 1.00 0.00 H new ATOM 0 HA PHE A 42 3.744 2.493 -1.680 1.00 0.00 H new ATOM 0 HB2 PHE A 42 2.617 0.412 -3.588 1.00 0.00 H new ATOM 0 HB3 PHE A 42 3.787 0.122 -2.316 1.00 0.00 H new ATOM 0 HD1 PHE A 42 3.089 0.311 0.078 1.00 0.00 H new ATOM 0 HD2 PHE A 42 0.274 0.559 -3.108 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.262 -0.136 1.659 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -1.554 0.114 -1.532 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.065 -0.233 0.856 1.00 0.00 H new ATOM 681 N LYS A 43 5.538 3.007 -3.293 1.00 0.00 N ATOM 682 CA LYS A 43 6.677 3.224 -4.164 1.00 0.00 C ATOM 683 C LYS A 43 7.711 2.131 -3.937 1.00 0.00 C ATOM 684 O LYS A 43 8.341 2.069 -2.882 1.00 0.00 O ATOM 685 CB LYS A 43 7.284 4.600 -3.891 1.00 0.00 C ATOM 686 CG LYS A 43 8.442 4.966 -4.805 1.00 0.00 C ATOM 687 CD LYS A 43 8.921 6.379 -4.530 1.00 0.00 C ATOM 688 CE LYS A 43 10.067 6.780 -5.441 1.00 0.00 C ATOM 689 NZ LYS A 43 10.491 8.184 -5.199 1.00 0.00 N ATOM 0 H LYS A 43 5.650 3.391 -2.355 1.00 0.00 H new ATOM 0 HA LYS A 43 6.351 3.188 -5.203 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.504 5.355 -3.992 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.628 4.634 -2.857 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.263 4.264 -4.658 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.131 4.879 -5.846 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.092 7.075 -4.663 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.240 6.458 -3.491 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.912 6.111 -5.280 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.763 6.665 -6.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.275 8.425 -5.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.691 8.824 -5.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.804 8.287 -4.213 1.00 0.00 H new ATOM 703 N PRO A 44 7.879 1.235 -4.915 1.00 0.00 N ATOM 704 CA PRO A 44 8.815 0.121 -4.803 1.00 0.00 C ATOM 705 C PRO A 44 10.262 0.574 -4.928 1.00 0.00 C ATOM 706 O PRO A 44 10.584 1.440 -5.744 1.00 0.00 O ATOM 707 CB PRO A 44 8.429 -0.785 -5.971 1.00 0.00 C ATOM 708 CG PRO A 44 7.828 0.129 -6.981 1.00 0.00 C ATOM 709 CD PRO A 44 7.178 1.247 -6.212 1.00 0.00 C ATOM 0 HA PRO A 44 8.755 -0.371 -3.832 1.00 0.00 H new ATOM 0 HB2 PRO A 44 9.299 -1.302 -6.374 1.00 0.00 H new ATOM 0 HB3 PRO A 44 7.719 -1.551 -5.659 1.00 0.00 H new ATOM 0 HG2 PRO A 44 8.591 0.515 -7.657 1.00 0.00 H new ATOM 0 HG3 PRO A 44 7.096 -0.397 -7.594 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.295 2.204 -6.721 1.00 0.00 H new ATOM 0 HD3 PRO A 44 6.108 1.079 -6.090 1.00 0.00 H new ATOM 717 N LEU A 45 11.128 -0.004 -4.111 1.00 0.00 N ATOM 718 CA LEU A 45 12.546 0.321 -4.155 1.00 0.00 C ATOM 719 C LEU A 45 13.182 -0.250 -5.416 1.00 0.00 C ATOM 720 O LEU A 45 14.135 0.310 -5.955 1.00 0.00 O ATOM 721 CB LEU A 45 13.245 -0.206 -2.901 1.00 0.00 C ATOM 722 CG LEU A 45 12.734 0.394 -1.588 1.00 0.00 C ATOM 723 CD1 LEU A 45 13.332 -0.331 -0.395 1.00 0.00 C ATOM 724 CD2 LEU A 45 13.054 1.880 -1.520 1.00 0.00 C ATOM 0 H LEU A 45 10.875 -0.700 -3.410 1.00 0.00 H new ATOM 0 HA LEU A 45 12.661 1.405 -4.181 1.00 0.00 H new ATOM 0 HB2 LEU A 45 13.125 -1.289 -2.862 1.00 0.00 H new ATOM 0 HB3 LEU A 45 14.313 -0.007 -2.985 1.00 0.00 H new ATOM 0 HG LEU A 45 11.652 0.270 -1.557 1.00 0.00 H new ATOM 0 HD11 LEU A 45 12.955 0.112 0.527 1.00 0.00 H new ATOM 0 HD12 LEU A 45 13.053 -1.384 -0.432 1.00 0.00 H new ATOM 0 HD13 LEU A 45 14.418 -0.242 -0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.683 2.289 -0.580 1.00 0.00 H new ATOM 0 HD22 LEU A 45 14.133 2.023 -1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.575 2.394 -2.353 1.00 0.00 H new ATOM 736 N ASN A 46 12.640 -1.363 -5.883 1.00 0.00 N ATOM 737 CA ASN A 46 13.051 -1.938 -7.154 1.00 0.00 C ATOM 738 C ASN A 46 11.843 -2.523 -7.869 1.00 0.00 C ATOM 739 O ASN A 46 11.555 -3.711 -7.749 1.00 0.00 O ATOM 740 CB ASN A 46 14.117 -3.021 -6.953 1.00 0.00 C ATOM 741 CG ASN A 46 14.648 -3.559 -8.270 1.00 0.00 C ATOM 742 OD1 ASN A 46 14.721 -2.837 -9.266 1.00 0.00 O ATOM 743 ND2 ASN A 46 15.025 -4.829 -8.285 1.00 0.00 N ATOM 0 H ASN A 46 11.912 -1.888 -5.399 1.00 0.00 H new ATOM 0 HA ASN A 46 13.486 -1.145 -7.763 1.00 0.00 H new ATOM 0 HB2 ASN A 46 14.943 -2.611 -6.371 1.00 0.00 H new ATOM 0 HB3 ASN A 46 13.694 -3.841 -6.372 1.00 0.00 H new ATOM 0 HD21 ASN A 46 15.392 -5.242 -9.143 1.00 0.00 H new ATOM 0 HD22 ASN A 46 14.949 -5.394 -7.439 1.00 0.00 H new ATOM 750 N GLY A 47 11.103 -1.673 -8.564 1.00 0.00 N ATOM 751 CA GLY A 47 9.939 -2.142 -9.288 1.00 0.00 C ATOM 752 C GLY A 47 9.463 -1.164 -10.340 1.00 0.00 C ATOM 753 O GLY A 47 9.147 -1.559 -11.464 1.00 0.00 O ATOM 0 H GLY A 47 11.285 -0.672 -8.640 1.00 0.00 H new ATOM 0 HA2 GLY A 47 10.174 -3.094 -9.764 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.130 -2.330 -8.582 1.00 0.00 H new ATOM 757 N GLY A 48 9.414 0.110 -9.988 1.00 0.00 N ATOM 758 CA GLY A 48 8.919 1.109 -10.909 1.00 0.00 C ATOM 759 C GLY A 48 8.254 2.267 -10.198 1.00 0.00 C ATOM 760 O GLY A 48 8.708 2.694 -9.136 1.00 0.00 O ATOM 0 H GLY A 48 9.708 0.470 -9.080 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.745 1.483 -11.514 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.206 0.648 -11.593 1.00 0.00 H new ATOM 764 N LEU A 49 7.159 2.751 -10.769 1.00 0.00 N ATOM 765 CA LEU A 49 6.480 3.937 -10.264 1.00 0.00 C ATOM 766 C LEU A 49 5.629 3.616 -9.033 1.00 0.00 C ATOM 767 O LEU A 49 5.341 2.448 -8.742 1.00 0.00 O ATOM 768 CB LEU A 49 5.605 4.539 -11.370 1.00 0.00 C ATOM 769 CG LEU A 49 4.967 5.893 -11.047 1.00 0.00 C ATOM 770 CD1 LEU A 49 6.037 6.946 -10.809 1.00 0.00 C ATOM 771 CD2 LEU A 49 4.034 6.323 -12.168 1.00 0.00 C ATOM 0 H LEU A 49 6.719 2.336 -11.590 1.00 0.00 H new ATOM 0 HA LEU A 49 7.237 4.660 -9.962 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.212 4.649 -12.269 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.811 3.831 -11.606 1.00 0.00 H new ATOM 0 HG LEU A 49 4.382 5.788 -10.133 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.563 7.901 -10.581 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.665 6.643 -9.971 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.651 7.050 -11.704 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.589 7.287 -11.922 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.597 6.410 -13.097 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.245 5.580 -12.290 1.00 0.00 H new ATOM 783 N GLU A 50 5.241 4.667 -8.313 1.00 0.00 N ATOM 784 CA GLU A 50 4.386 4.541 -7.142 1.00 0.00 C ATOM 785 C GLU A 50 3.024 3.989 -7.539 1.00 0.00 C ATOM 786 O GLU A 50 2.314 4.589 -8.345 1.00 0.00 O ATOM 787 CB GLU A 50 4.195 5.908 -6.475 1.00 0.00 C ATOM 788 CG GLU A 50 5.489 6.658 -6.215 1.00 0.00 C ATOM 789 CD GLU A 50 5.250 8.032 -5.622 1.00 0.00 C ATOM 790 OE1 GLU A 50 4.669 8.889 -6.322 1.00 0.00 O ATOM 791 OE2 GLU A 50 5.634 8.259 -4.455 1.00 0.00 O ATOM 0 H GLU A 50 5.512 5.627 -8.527 1.00 0.00 H new ATOM 0 HA GLU A 50 4.866 3.857 -6.442 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.553 6.522 -7.107 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.672 5.769 -5.529 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.113 6.076 -5.537 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.041 6.759 -7.149 1.00 0.00 H new ATOM 798 N LYS A 51 2.662 2.852 -6.975 1.00 0.00 N ATOM 799 CA LYS A 51 1.377 2.242 -7.265 1.00 0.00 C ATOM 800 C LYS A 51 0.387 2.536 -6.150 1.00 0.00 C ATOM 801 O LYS A 51 0.545 2.065 -5.024 1.00 0.00 O ATOM 802 CB LYS A 51 1.532 0.736 -7.467 1.00 0.00 C ATOM 803 CG LYS A 51 2.210 0.371 -8.778 1.00 0.00 C ATOM 804 CD LYS A 51 2.428 -1.129 -8.903 1.00 0.00 C ATOM 805 CE LYS A 51 3.494 -1.622 -7.940 1.00 0.00 C ATOM 806 NZ LYS A 51 4.798 -0.945 -8.167 1.00 0.00 N ATOM 0 H LYS A 51 3.239 2.332 -6.314 1.00 0.00 H new ATOM 0 HA LYS A 51 0.990 2.672 -8.189 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.110 0.323 -6.640 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.548 0.269 -7.433 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.601 0.720 -9.612 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.169 0.885 -8.847 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.491 -1.651 -8.708 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.720 -1.371 -9.925 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.167 -1.447 -6.915 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.618 -2.699 -8.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.573 -1.605 -7.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.863 -0.640 -9.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.871 -0.115 -7.545 1.00 0.00 H new ATOM 820 N THR A 52 -0.611 3.343 -6.463 1.00 0.00 N ATOM 821 CA THR A 52 -1.624 3.722 -5.495 1.00 0.00 C ATOM 822 C THR A 52 -2.825 2.777 -5.569 1.00 0.00 C ATOM 823 O THR A 52 -3.613 2.834 -6.517 1.00 0.00 O ATOM 824 CB THR A 52 -2.084 5.176 -5.734 1.00 0.00 C ATOM 825 OG1 THR A 52 -0.944 6.048 -5.793 1.00 0.00 O ATOM 826 CG2 THR A 52 -3.018 5.643 -4.629 1.00 0.00 C ATOM 0 H THR A 52 -0.742 3.751 -7.388 1.00 0.00 H new ATOM 0 HA THR A 52 -1.184 3.650 -4.500 1.00 0.00 H new ATOM 0 HB THR A 52 -2.622 5.207 -6.681 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.732 6.371 -4.892 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.326 6.670 -4.823 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.897 5.000 -4.600 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.501 5.594 -3.671 1.00 0.00 H new ATOM 834 N PHE A 53 -2.950 1.903 -4.573 1.00 0.00 N ATOM 835 CA PHE A 53 -4.033 0.922 -4.539 1.00 0.00 C ATOM 836 C PHE A 53 -5.098 1.327 -3.527 1.00 0.00 C ATOM 837 O PHE A 53 -4.801 2.003 -2.542 1.00 0.00 O ATOM 838 CB PHE A 53 -3.494 -0.469 -4.193 1.00 0.00 C ATOM 839 CG PHE A 53 -2.526 -1.013 -5.205 1.00 0.00 C ATOM 840 CD1 PHE A 53 -2.927 -1.246 -6.512 1.00 0.00 C ATOM 841 CD2 PHE A 53 -1.219 -1.300 -4.849 1.00 0.00 C ATOM 842 CE1 PHE A 53 -2.041 -1.752 -7.443 1.00 0.00 C ATOM 843 CE2 PHE A 53 -0.328 -1.805 -5.775 1.00 0.00 C ATOM 844 CZ PHE A 53 -0.740 -2.033 -7.074 1.00 0.00 C ATOM 0 H PHE A 53 -2.314 1.854 -3.777 1.00 0.00 H new ATOM 0 HA PHE A 53 -4.484 0.889 -5.531 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.003 -0.427 -3.221 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.332 -1.160 -4.097 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.944 -1.029 -6.805 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.892 -1.127 -3.834 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.365 -1.928 -8.458 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.689 -2.021 -5.484 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.046 -2.430 -7.800 1.00 0.00 H new ATOM 854 N ARG A 54 -6.333 0.896 -3.771 1.00 0.00 N ATOM 855 CA ARG A 54 -7.469 1.281 -2.940 1.00 0.00 C ATOM 856 C ARG A 54 -7.478 0.530 -1.612 1.00 0.00 C ATOM 857 O ARG A 54 -7.298 -0.689 -1.572 1.00 0.00 O ATOM 858 CB ARG A 54 -8.783 1.021 -3.678 1.00 0.00 C ATOM 859 CG ARG A 54 -10.004 1.509 -2.916 1.00 0.00 C ATOM 860 CD ARG A 54 -11.299 1.156 -3.626 1.00 0.00 C ATOM 861 NE ARG A 54 -11.563 -0.284 -3.638 1.00 0.00 N ATOM 862 CZ ARG A 54 -12.242 -0.923 -2.683 1.00 0.00 C ATOM 863 NH1 ARG A 54 -12.616 -0.274 -1.586 1.00 0.00 N ATOM 864 NH2 ARG A 54 -12.529 -2.214 -2.813 1.00 0.00 N ATOM 0 H ARG A 54 -6.573 0.275 -4.544 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.369 2.346 -2.731 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -8.749 1.512 -4.651 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.882 -0.048 -3.864 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -10.007 1.071 -1.918 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -9.944 2.590 -2.789 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.128 1.669 -3.138 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -11.257 1.522 -4.652 1.00 0.00 H new ATOM 0 HE ARG A 54 -11.207 -0.831 -4.422 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.384 0.713 -1.473 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.135 -0.763 -0.856 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -12.230 -2.722 -3.646 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -13.048 -2.697 -2.080 1.00 0.00 H new ATOM 878 N LEU A 55 -7.708 1.265 -0.533 1.00 0.00 N ATOM 879 CA LEU A 55 -7.793 0.680 0.794 1.00 0.00 C ATOM 880 C LEU A 55 -9.108 1.059 1.466 1.00 0.00 C ATOM 881 O LEU A 55 -9.853 1.909 0.970 1.00 0.00 O ATOM 882 CB LEU A 55 -6.624 1.157 1.662 1.00 0.00 C ATOM 883 CG LEU A 55 -5.241 0.667 1.231 1.00 0.00 C ATOM 884 CD1 LEU A 55 -4.176 1.196 2.177 1.00 0.00 C ATOM 885 CD2 LEU A 55 -5.205 -0.853 1.187 1.00 0.00 C ATOM 0 H LEU A 55 -7.840 2.276 -0.554 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.747 -0.404 0.688 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.619 2.247 1.667 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.801 0.835 2.688 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.035 1.045 0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.197 0.839 1.858 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.187 2.286 2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.379 0.843 3.188 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.214 -1.185 0.878 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.429 -1.251 2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.946 -1.214 0.474 1.00 0.00 H new ATOM 897 N GLN A 56 -9.399 0.406 2.581 1.00 0.00 N ATOM 898 CA GLN A 56 -10.526 0.786 3.419 1.00 0.00 C ATOM 899 C GLN A 56 -10.082 1.871 4.389 1.00 0.00 C ATOM 900 O GLN A 56 -8.887 2.137 4.520 1.00 0.00 O ATOM 901 CB GLN A 56 -11.042 -0.413 4.219 1.00 0.00 C ATOM 902 CG GLN A 56 -11.439 -1.613 3.377 1.00 0.00 C ATOM 903 CD GLN A 56 -11.824 -2.806 4.233 1.00 0.00 C ATOM 904 OE1 GLN A 56 -11.332 -2.968 5.351 1.00 0.00 O ATOM 905 NE2 GLN A 56 -12.691 -3.655 3.712 1.00 0.00 N ATOM 0 H GLN A 56 -8.868 -0.393 2.927 1.00 0.00 H new ATOM 0 HA GLN A 56 -11.328 1.150 2.777 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -10.271 -0.721 4.925 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -11.904 -0.097 4.806 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -12.276 -1.343 2.733 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -10.611 -1.888 2.724 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -13.076 -3.485 2.783 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -12.976 -4.481 4.239 1.00 0.00 H new ATOM 914 N ALA A 57 -11.027 2.479 5.089 1.00 0.00 N ATOM 915 CA ALA A 57 -10.691 3.462 6.107 1.00 0.00 C ATOM 916 C ALA A 57 -10.060 2.757 7.299 1.00 0.00 C ATOM 917 O ALA A 57 -9.127 3.262 7.924 1.00 0.00 O ATOM 918 CB ALA A 57 -11.925 4.243 6.530 1.00 0.00 C ATOM 0 H ALA A 57 -12.026 2.311 4.972 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.976 4.174 5.695 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.650 4.972 7.292 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -12.342 4.760 5.666 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.668 3.557 6.936 1.00 0.00 H new ATOM 924 N GLN A 58 -10.568 1.564 7.586 1.00 0.00 N ATOM 925 CA GLN A 58 -10.035 0.742 8.663 1.00 0.00 C ATOM 926 C GLN A 58 -8.672 0.175 8.276 1.00 0.00 C ATOM 927 O GLN A 58 -7.778 0.059 9.114 1.00 0.00 O ATOM 928 CB GLN A 58 -11.014 -0.386 8.998 1.00 0.00 C ATOM 929 CG GLN A 58 -12.407 0.115 9.352 1.00 0.00 C ATOM 930 CD GLN A 58 -13.367 -1.002 9.711 1.00 0.00 C ATOM 931 OE1 GLN A 58 -13.242 -2.128 9.231 1.00 0.00 O ATOM 932 NE2 GLN A 58 -14.341 -0.693 10.552 1.00 0.00 N ATOM 0 H GLN A 58 -11.351 1.144 7.085 1.00 0.00 H new ATOM 0 HA GLN A 58 -9.906 1.364 9.549 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -11.084 -1.063 8.146 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -10.620 -0.965 9.833 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -12.335 0.808 10.190 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -12.810 0.676 8.509 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -14.410 0.253 10.928 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -15.023 -1.401 10.825 1.00 0.00 H new ATOM 941 N GLN A 59 -8.509 -0.156 6.995 1.00 0.00 N ATOM 942 CA GLN A 59 -7.225 -0.636 6.488 1.00 0.00 C ATOM 943 C GLN A 59 -6.200 0.488 6.492 1.00 0.00 C ATOM 944 O GLN A 59 -5.010 0.254 6.699 1.00 0.00 O ATOM 945 CB GLN A 59 -7.366 -1.202 5.074 1.00 0.00 C ATOM 946 CG GLN A 59 -8.091 -2.536 5.019 1.00 0.00 C ATOM 947 CD GLN A 59 -8.204 -3.077 3.608 1.00 0.00 C ATOM 948 OE1 GLN A 59 -8.277 -2.318 2.641 1.00 0.00 O ATOM 949 NE2 GLN A 59 -8.224 -4.393 3.479 1.00 0.00 N ATOM 0 H GLN A 59 -9.247 -0.101 6.293 1.00 0.00 H new ATOM 0 HA GLN A 59 -6.885 -1.435 7.147 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.902 -0.482 4.456 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -6.374 -1.320 4.639 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.563 -3.259 5.641 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -9.089 -2.421 5.442 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -8.161 -4.987 4.305 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -8.302 -4.814 2.553 1.00 0.00 H new ATOM 958 N TYR A 60 -6.671 1.706 6.261 1.00 0.00 N ATOM 959 CA TYR A 60 -5.824 2.889 6.329 1.00 0.00 C ATOM 960 C TYR A 60 -5.296 3.078 7.751 1.00 0.00 C ATOM 961 O TYR A 60 -4.157 3.497 7.954 1.00 0.00 O ATOM 962 CB TYR A 60 -6.613 4.120 5.874 1.00 0.00 C ATOM 963 CG TYR A 60 -5.844 5.420 5.951 1.00 0.00 C ATOM 964 CD1 TYR A 60 -4.652 5.591 5.259 1.00 0.00 C ATOM 965 CD2 TYR A 60 -6.324 6.481 6.707 1.00 0.00 C ATOM 966 CE1 TYR A 60 -3.958 6.784 5.321 1.00 0.00 C ATOM 967 CE2 TYR A 60 -5.636 7.675 6.775 1.00 0.00 C ATOM 968 CZ TYR A 60 -4.455 7.822 6.081 1.00 0.00 C ATOM 969 OH TYR A 60 -3.775 9.019 6.138 1.00 0.00 O ATOM 0 H TYR A 60 -7.643 1.901 6.023 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.971 2.758 5.663 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -6.941 3.966 4.846 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -7.511 4.207 6.485 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -4.262 4.779 4.663 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.251 6.370 7.250 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -3.032 6.903 4.778 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.021 8.490 7.369 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.261 9.644 6.716 1.00 0.00 H new ATOM 979 N HIS A 61 -6.127 2.740 8.731 1.00 0.00 N ATOM 980 CA HIS A 61 -5.720 2.787 10.134 1.00 0.00 C ATOM 981 C HIS A 61 -4.622 1.754 10.405 1.00 0.00 C ATOM 982 O HIS A 61 -3.832 1.902 11.335 1.00 0.00 O ATOM 983 CB HIS A 61 -6.932 2.541 11.049 1.00 0.00 C ATOM 984 CG HIS A 61 -6.617 2.574 12.519 1.00 0.00 C ATOM 985 ND1 HIS A 61 -7.120 1.656 13.417 1.00 0.00 N ATOM 986 CD2 HIS A 61 -5.852 3.423 13.246 1.00 0.00 C ATOM 987 CE1 HIS A 61 -6.678 1.940 14.627 1.00 0.00 C ATOM 988 NE2 HIS A 61 -5.907 3.004 14.553 1.00 0.00 N ATOM 0 H HIS A 61 -7.087 2.430 8.581 1.00 0.00 H new ATOM 0 HA HIS A 61 -5.320 3.778 10.349 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -7.692 3.293 10.836 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -7.366 1.571 10.804 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -5.301 4.272 12.868 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -6.910 1.391 15.528 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -5.428 3.445 15.338 1.00 0.00 H new ATOM 997 N ALA A 62 -4.567 0.723 9.573 1.00 0.00 N ATOM 998 CA ALA A 62 -3.569 -0.329 9.718 1.00 0.00 C ATOM 999 C ALA A 62 -2.407 -0.117 8.749 1.00 0.00 C ATOM 1000 O ALA A 62 -1.573 -1.003 8.551 1.00 0.00 O ATOM 1001 CB ALA A 62 -4.208 -1.691 9.493 1.00 0.00 C ATOM 0 H ALA A 62 -5.204 0.592 8.787 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.173 -0.289 10.733 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.453 -2.470 9.604 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.000 -1.847 10.225 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.629 -1.734 8.488 1.00 0.00 H new ATOM 1007 N LEU A 63 -2.358 1.062 8.148 1.00 0.00 N ATOM 1008 CA LEU A 63 -1.297 1.402 7.212 1.00 0.00 C ATOM 1009 C LEU A 63 -0.280 2.319 7.883 1.00 0.00 C ATOM 1010 O LEU A 63 -0.636 3.130 8.739 1.00 0.00 O ATOM 1011 CB LEU A 63 -1.878 2.094 5.979 1.00 0.00 C ATOM 1012 CG LEU A 63 -0.860 2.441 4.895 1.00 0.00 C ATOM 1013 CD1 LEU A 63 -0.389 1.187 4.179 1.00 0.00 C ATOM 1014 CD2 LEU A 63 -1.448 3.432 3.912 1.00 0.00 C ATOM 0 H LEU A 63 -3.044 1.803 8.293 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.801 0.482 6.902 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.643 1.449 5.545 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.376 3.010 6.296 1.00 0.00 H new ATOM 0 HG LEU A 63 0.004 2.904 5.371 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.336 1.457 3.411 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.077 0.512 4.896 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.242 0.691 3.715 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.709 3.668 3.147 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.331 2.998 3.442 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.728 4.344 4.439 1.00 0.00 H new ATOM 1026 N THR A 64 0.981 2.185 7.506 1.00 0.00 N ATOM 1027 CA THR A 64 2.028 3.012 8.079 1.00 0.00 C ATOM 1028 C THR A 64 2.786 3.777 6.991 1.00 0.00 C ATOM 1029 O THR A 64 3.672 3.230 6.333 1.00 0.00 O ATOM 1030 CB THR A 64 3.011 2.152 8.894 1.00 0.00 C ATOM 1031 OG1 THR A 64 2.321 1.013 9.431 1.00 0.00 O ATOM 1032 CG2 THR A 64 3.613 2.959 10.035 1.00 0.00 C ATOM 0 H THR A 64 1.303 1.514 6.808 1.00 0.00 H new ATOM 0 HA THR A 64 1.553 3.735 8.742 1.00 0.00 H new ATOM 0 HB THR A 64 3.814 1.824 8.234 1.00 0.00 H new ATOM 0 HG1 THR A 64 2.577 0.210 8.931 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.305 2.333 10.598 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.148 3.818 9.630 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.818 3.305 10.695 1.00 0.00 H new ATOM 1040 N VAL A 65 2.419 5.039 6.788 1.00 0.00 N ATOM 1041 CA VAL A 65 3.077 5.878 5.790 1.00 0.00 C ATOM 1042 C VAL A 65 4.508 6.202 6.211 1.00 0.00 C ATOM 1043 O VAL A 65 4.753 6.646 7.334 1.00 0.00 O ATOM 1044 CB VAL A 65 2.286 7.185 5.535 1.00 0.00 C ATOM 1045 CG1 VAL A 65 3.134 8.214 4.800 1.00 0.00 C ATOM 1046 CG2 VAL A 65 1.029 6.886 4.736 1.00 0.00 C ATOM 0 H VAL A 65 1.670 5.504 7.301 1.00 0.00 H new ATOM 0 HA VAL A 65 3.105 5.313 4.858 1.00 0.00 H new ATOM 0 HB VAL A 65 2.010 7.603 6.503 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.548 9.119 4.637 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.014 8.454 5.397 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.448 7.807 3.839 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.480 7.811 4.562 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.303 6.441 3.779 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.401 6.191 5.293 1.00 0.00 H new ATOM 1056 N GLY A 66 5.445 5.964 5.302 1.00 0.00 N ATOM 1057 CA GLY A 66 6.846 6.199 5.589 1.00 0.00 C ATOM 1058 C GLY A 66 7.538 4.956 6.107 1.00 0.00 C ATOM 1059 O GLY A 66 8.764 4.836 6.028 1.00 0.00 O ATOM 0 H GLY A 66 5.257 5.610 4.364 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.348 6.543 4.685 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.936 6.997 6.326 1.00 0.00 H new ATOM 1063 N ASP A 67 6.758 4.017 6.622 1.00 0.00 N ATOM 1064 CA ASP A 67 7.327 2.796 7.169 1.00 0.00 C ATOM 1065 C ASP A 67 7.616 1.819 6.048 1.00 0.00 C ATOM 1066 O ASP A 67 6.740 1.066 5.625 1.00 0.00 O ATOM 1067 CB ASP A 67 6.395 2.158 8.202 1.00 0.00 C ATOM 1068 CG ASP A 67 7.082 1.078 9.022 1.00 0.00 C ATOM 1069 OD1 ASP A 67 8.039 1.408 9.754 1.00 0.00 O ATOM 1070 OD2 ASP A 67 6.654 -0.092 8.971 1.00 0.00 O ATOM 0 H ASP A 67 5.741 4.076 6.672 1.00 0.00 H new ATOM 0 HA ASP A 67 8.257 3.051 7.676 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.017 2.931 8.871 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.533 1.728 7.692 1.00 0.00 H new ATOM 1075 N GLN A 68 8.830 1.896 5.521 1.00 0.00 N ATOM 1076 CA GLN A 68 9.273 0.981 4.480 1.00 0.00 C ATOM 1077 C GLN A 68 9.121 -0.456 4.956 1.00 0.00 C ATOM 1078 O GLN A 68 9.671 -0.833 5.992 1.00 0.00 O ATOM 1079 CB GLN A 68 10.732 1.254 4.110 1.00 0.00 C ATOM 1080 CG GLN A 68 11.011 2.708 3.764 1.00 0.00 C ATOM 1081 CD GLN A 68 12.428 2.929 3.273 1.00 0.00 C ATOM 1082 OE1 GLN A 68 13.353 2.212 3.657 1.00 0.00 O ATOM 1083 NE2 GLN A 68 12.607 3.929 2.424 1.00 0.00 N ATOM 0 H GLN A 68 9.528 2.586 5.799 1.00 0.00 H new ATOM 0 HA GLN A 68 8.655 1.135 3.595 1.00 0.00 H new ATOM 0 HB2 GLN A 68 11.371 0.959 4.943 1.00 0.00 H new ATOM 0 HB3 GLN A 68 11.006 0.628 3.261 1.00 0.00 H new ATOM 0 HG2 GLN A 68 10.309 3.036 2.997 1.00 0.00 H new ATOM 0 HG3 GLN A 68 10.834 3.327 4.643 1.00 0.00 H new ATOM 0 HE21 GLN A 68 11.813 4.498 2.132 1.00 0.00 H new ATOM 0 HE22 GLN A 68 13.539 4.130 2.062 1.00 0.00 H new ATOM 1092 N GLY A 69 8.394 -1.255 4.199 1.00 0.00 N ATOM 1093 CA GLY A 69 8.099 -2.600 4.633 1.00 0.00 C ATOM 1094 C GLY A 69 7.668 -3.489 3.495 1.00 0.00 C ATOM 1095 O GLY A 69 7.740 -3.099 2.329 1.00 0.00 O ATOM 0 H GLY A 69 8.003 -0.998 3.293 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.981 -3.027 5.110 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.312 -2.571 5.386 1.00 0.00 H new ATOM 1099 N THR A 70 7.203 -4.675 3.833 1.00 0.00 N ATOM 1100 CA THR A 70 6.930 -5.697 2.843 1.00 0.00 C ATOM 1101 C THR A 70 5.486 -5.627 2.347 1.00 0.00 C ATOM 1102 O THR A 70 4.548 -5.498 3.131 1.00 0.00 O ATOM 1103 CB THR A 70 7.215 -7.093 3.428 1.00 0.00 C ATOM 1104 OG1 THR A 70 8.515 -7.097 4.037 1.00 0.00 O ATOM 1105 CG2 THR A 70 7.157 -8.166 2.349 1.00 0.00 C ATOM 0 H THR A 70 7.005 -4.956 4.793 1.00 0.00 H new ATOM 0 HA THR A 70 7.588 -5.518 1.992 1.00 0.00 H new ATOM 0 HB THR A 70 6.450 -7.316 4.172 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.698 -7.984 4.412 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.362 -9.140 2.793 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.165 -8.175 1.898 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.902 -7.952 1.583 1.00 0.00 H new ATOM 1113 N LEU A 71 5.316 -5.723 1.039 1.00 0.00 N ATOM 1114 CA LEU A 71 3.997 -5.704 0.439 1.00 0.00 C ATOM 1115 C LEU A 71 3.733 -7.024 -0.270 1.00 0.00 C ATOM 1116 O LEU A 71 4.457 -7.402 -1.194 1.00 0.00 O ATOM 1117 CB LEU A 71 3.882 -4.542 -0.557 1.00 0.00 C ATOM 1118 CG LEU A 71 2.522 -4.400 -1.247 1.00 0.00 C ATOM 1119 CD1 LEU A 71 1.440 -4.060 -0.236 1.00 0.00 C ATOM 1120 CD2 LEU A 71 2.585 -3.342 -2.340 1.00 0.00 C ATOM 0 H LEU A 71 6.081 -5.815 0.371 1.00 0.00 H new ATOM 0 HA LEU A 71 3.255 -5.565 1.225 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.103 -3.613 -0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.648 -4.665 -1.323 1.00 0.00 H new ATOM 0 HG LEU A 71 2.271 -5.356 -1.707 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.482 -3.964 -0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.376 -4.853 0.509 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.685 -3.119 0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.610 -3.255 -2.819 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.861 -2.383 -1.902 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.329 -3.630 -3.082 1.00 0.00 H new ATOM 1132 N SER A 72 2.720 -7.735 0.198 1.00 0.00 N ATOM 1133 CA SER A 72 2.307 -8.983 -0.417 1.00 0.00 C ATOM 1134 C SER A 72 1.178 -8.726 -1.408 1.00 0.00 C ATOM 1135 O SER A 72 0.066 -8.337 -1.022 1.00 0.00 O ATOM 1136 CB SER A 72 1.876 -9.976 0.664 1.00 0.00 C ATOM 1137 OG SER A 72 1.049 -9.358 1.635 1.00 0.00 O ATOM 0 H SER A 72 2.165 -7.464 1.010 1.00 0.00 H new ATOM 0 HA SER A 72 3.146 -9.414 -0.963 1.00 0.00 H new ATOM 0 HB2 SER A 72 1.341 -10.807 0.204 1.00 0.00 H new ATOM 0 HB3 SER A 72 2.758 -10.394 1.149 1.00 0.00 H new ATOM 0 HG SER A 72 0.496 -8.673 1.205 1.00 0.00 H new ATOM 1143 N TYR A 73 1.470 -8.911 -2.684 1.00 0.00 N ATOM 1144 CA TYR A 73 0.495 -8.654 -3.727 1.00 0.00 C ATOM 1145 C TYR A 73 0.495 -9.767 -4.763 1.00 0.00 C ATOM 1146 O TYR A 73 1.502 -10.445 -4.971 1.00 0.00 O ATOM 1147 CB TYR A 73 0.771 -7.300 -4.400 1.00 0.00 C ATOM 1148 CG TYR A 73 2.189 -7.135 -4.912 1.00 0.00 C ATOM 1149 CD1 TYR A 73 2.542 -7.538 -6.194 1.00 0.00 C ATOM 1150 CD2 TYR A 73 3.173 -6.572 -4.110 1.00 0.00 C ATOM 1151 CE1 TYR A 73 3.835 -7.386 -6.660 1.00 0.00 C ATOM 1152 CE2 TYR A 73 4.467 -6.416 -4.568 1.00 0.00 C ATOM 1153 CZ TYR A 73 4.794 -6.825 -5.842 1.00 0.00 C ATOM 1154 OH TYR A 73 6.085 -6.674 -6.302 1.00 0.00 O ATOM 0 H TYR A 73 2.375 -9.238 -3.022 1.00 0.00 H new ATOM 0 HA TYR A 73 -0.491 -8.621 -3.264 1.00 0.00 H new ATOM 0 HB2 TYR A 73 0.079 -7.174 -5.233 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.560 -6.503 -3.687 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.794 -7.977 -6.837 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.922 -6.250 -3.110 1.00 0.00 H new ATOM 0 HE1 TYR A 73 4.093 -7.705 -7.659 1.00 0.00 H new ATOM 0 HE2 TYR A 73 5.219 -5.975 -3.930 1.00 0.00 H new ATOM 0 HH TYR A 73 6.073 -6.545 -7.273 1.00 0.00 H new ATOM 1164 N LYS A 74 -0.651 -9.962 -5.390 1.00 0.00 N ATOM 1165 CA LYS A 74 -0.775 -10.906 -6.487 1.00 0.00 C ATOM 1166 C LYS A 74 -1.195 -10.153 -7.737 1.00 0.00 C ATOM 1167 O LYS A 74 -2.381 -9.893 -7.957 1.00 0.00 O ATOM 1168 CB LYS A 74 -1.784 -12.008 -6.150 1.00 0.00 C ATOM 1169 CG LYS A 74 -1.338 -12.902 -5.004 1.00 0.00 C ATOM 1170 CD LYS A 74 -2.389 -13.945 -4.663 1.00 0.00 C ATOM 1171 CE LYS A 74 -1.923 -14.852 -3.533 1.00 0.00 C ATOM 1172 NZ LYS A 74 -2.966 -15.833 -3.140 1.00 0.00 N ATOM 0 H LYS A 74 -1.516 -9.475 -5.156 1.00 0.00 H new ATOM 0 HA LYS A 74 0.187 -11.389 -6.659 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.739 -11.550 -5.894 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -1.952 -12.621 -7.036 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.406 -13.399 -5.272 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.133 -12.291 -4.125 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -3.316 -13.449 -4.375 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.609 -14.545 -5.546 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.024 -15.384 -3.843 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.653 -14.245 -2.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -2.607 -16.430 -2.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.816 -15.326 -2.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.206 -16.430 -3.957 1.00 0.00 H new ATOM 1186 N GLY A 75 -0.206 -9.766 -8.530 1.00 0.00 N ATOM 1187 CA GLY A 75 -0.468 -8.907 -9.663 1.00 0.00 C ATOM 1188 C GLY A 75 -0.593 -7.467 -9.224 1.00 0.00 C ATOM 1189 O GLY A 75 0.369 -6.869 -8.744 1.00 0.00 O ATOM 0 H GLY A 75 0.771 -10.032 -8.408 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.337 -9.002 -10.391 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.386 -9.222 -10.160 1.00 0.00 H new ATOM 1193 N THR A 76 -1.781 -6.907 -9.382 1.00 0.00 N ATOM 1194 CA THR A 76 -2.062 -5.571 -8.888 1.00 0.00 C ATOM 1195 C THR A 76 -3.048 -5.632 -7.727 1.00 0.00 C ATOM 1196 O THR A 76 -3.538 -4.608 -7.250 1.00 0.00 O ATOM 1197 CB THR A 76 -2.631 -4.671 -10.003 1.00 0.00 C ATOM 1198 OG1 THR A 76 -3.731 -5.329 -10.647 1.00 0.00 O ATOM 1199 CG2 THR A 76 -1.558 -4.333 -11.028 1.00 0.00 C ATOM 0 H THR A 76 -2.567 -7.359 -9.850 1.00 0.00 H new ATOM 0 HA THR A 76 -1.122 -5.141 -8.543 1.00 0.00 H new ATOM 0 HB THR A 76 -2.979 -3.742 -9.551 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.089 -4.752 -11.353 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.984 -3.697 -11.804 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.739 -3.807 -10.537 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.182 -5.252 -11.477 1.00 0.00 H new ATOM 1207 N ARG A 77 -3.336 -6.846 -7.274 1.00 0.00 N ATOM 1208 CA ARG A 77 -4.276 -7.047 -6.186 1.00 0.00 C ATOM 1209 C ARG A 77 -3.569 -6.988 -4.838 1.00 0.00 C ATOM 1210 O ARG A 77 -2.679 -7.794 -4.548 1.00 0.00 O ATOM 1211 CB ARG A 77 -5.020 -8.375 -6.348 1.00 0.00 C ATOM 1212 CG ARG A 77 -5.844 -8.770 -5.131 1.00 0.00 C ATOM 1213 CD ARG A 77 -6.809 -9.900 -5.453 1.00 0.00 C ATOM 1214 NE ARG A 77 -7.951 -9.432 -6.237 1.00 0.00 N ATOM 1215 CZ ARG A 77 -8.375 -10.009 -7.360 1.00 0.00 C ATOM 1216 NH1 ARG A 77 -7.702 -11.027 -7.883 1.00 0.00 N ATOM 1217 NH2 ARG A 77 -9.464 -9.553 -7.970 1.00 0.00 N ATOM 0 H ARG A 77 -2.930 -7.705 -7.646 1.00 0.00 H new ATOM 0 HA ARG A 77 -5.008 -6.240 -6.221 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -5.678 -8.309 -7.215 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.296 -9.163 -6.557 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.179 -9.077 -4.324 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -6.402 -7.905 -4.772 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.284 -10.680 -6.005 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.164 -10.350 -4.526 1.00 0.00 H new ATOM 0 HE ARG A 77 -8.455 -8.611 -5.902 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.858 -11.369 -7.425 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -8.029 -11.467 -8.743 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -9.974 -8.762 -7.578 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -9.789 -9.994 -8.830 1.00 0.00 H new ATOM 1231 N PHE A 78 -3.970 -6.014 -4.036 1.00 0.00 N ATOM 1232 CA PHE A 78 -3.452 -5.840 -2.689 1.00 0.00 C ATOM 1233 C PHE A 78 -3.940 -6.971 -1.789 1.00 0.00 C ATOM 1234 O PHE A 78 -5.136 -7.087 -1.520 1.00 0.00 O ATOM 1235 CB PHE A 78 -3.914 -4.480 -2.146 1.00 0.00 C ATOM 1236 CG PHE A 78 -3.507 -4.192 -0.727 1.00 0.00 C ATOM 1237 CD1 PHE A 78 -2.282 -3.611 -0.447 1.00 0.00 C ATOM 1238 CD2 PHE A 78 -4.360 -4.487 0.328 1.00 0.00 C ATOM 1239 CE1 PHE A 78 -1.915 -3.328 0.853 1.00 0.00 C ATOM 1240 CE2 PHE A 78 -3.996 -4.209 1.630 1.00 0.00 C ATOM 1241 CZ PHE A 78 -2.771 -3.629 1.893 1.00 0.00 C ATOM 0 H PHE A 78 -4.667 -5.319 -4.303 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.363 -5.867 -2.708 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.516 -3.695 -2.789 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -5.001 -4.428 -2.214 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.605 -3.376 -1.256 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -5.320 -4.939 0.127 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.958 -2.871 1.057 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -4.668 -4.445 2.442 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.483 -3.411 2.911 1.00 0.00 H new ATOM 1251 N VAL A 79 -3.020 -7.819 -1.351 1.00 0.00 N ATOM 1252 CA VAL A 79 -3.365 -8.897 -0.435 1.00 0.00 C ATOM 1253 C VAL A 79 -3.176 -8.429 1.002 1.00 0.00 C ATOM 1254 O VAL A 79 -3.978 -8.736 1.887 1.00 0.00 O ATOM 1255 CB VAL A 79 -2.508 -10.158 -0.692 1.00 0.00 C ATOM 1256 CG1 VAL A 79 -2.910 -11.291 0.242 1.00 0.00 C ATOM 1257 CG2 VAL A 79 -2.627 -10.595 -2.144 1.00 0.00 C ATOM 0 H VAL A 79 -2.035 -7.782 -1.613 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.409 -9.162 -0.604 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.467 -9.907 -0.489 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.292 -12.166 0.040 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.768 -10.977 1.276 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.958 -11.542 0.079 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.018 -11.484 -2.308 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.669 -10.822 -2.371 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.280 -9.793 -2.795 1.00 0.00 H new ATOM 1267 N GLY A 80 -2.115 -7.668 1.220 1.00 0.00 N ATOM 1268 CA GLY A 80 -1.848 -7.123 2.530 1.00 0.00 C ATOM 1269 C GLY A 80 -0.525 -6.395 2.578 1.00 0.00 C ATOM 1270 O GLY A 80 0.402 -6.731 1.839 1.00 0.00 O ATOM 0 H GLY A 80 -1.431 -7.418 0.506 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -2.649 -6.439 2.809 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.846 -7.928 3.265 1.00 0.00 H new ATOM 1274 N PHE A 81 -0.440 -5.385 3.427 1.00 0.00 N ATOM 1275 CA PHE A 81 0.801 -4.658 3.620 1.00 0.00 C ATOM 1276 C PHE A 81 1.381 -4.990 4.982 1.00 0.00 C ATOM 1277 O PHE A 81 0.755 -4.739 6.015 1.00 0.00 O ATOM 1278 CB PHE A 81 0.579 -3.149 3.485 1.00 0.00 C ATOM 1279 CG PHE A 81 1.822 -2.336 3.721 1.00 0.00 C ATOM 1280 CD1 PHE A 81 2.947 -2.513 2.931 1.00 0.00 C ATOM 1281 CD2 PHE A 81 1.863 -1.394 4.736 1.00 0.00 C ATOM 1282 CE1 PHE A 81 4.089 -1.767 3.150 1.00 0.00 C ATOM 1283 CE2 PHE A 81 3.000 -0.643 4.958 1.00 0.00 C ATOM 1284 CZ PHE A 81 4.115 -0.831 4.164 1.00 0.00 C ATOM 0 H PHE A 81 -1.218 -5.050 3.995 1.00 0.00 H new ATOM 0 HA PHE A 81 1.507 -4.962 2.847 1.00 0.00 H new ATOM 0 HB2 PHE A 81 0.198 -2.934 2.487 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -0.189 -2.838 4.193 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.931 -3.243 2.135 1.00 0.00 H new ATOM 0 HD2 PHE A 81 0.995 -1.245 5.361 1.00 0.00 H new ATOM 0 HE1 PHE A 81 4.960 -1.916 2.529 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.018 0.090 5.751 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.006 -0.246 4.337 1.00 0.00 H new ATOM 1294 N VAL A 82 2.566 -5.570 4.978 1.00 0.00 N ATOM 1295 CA VAL A 82 3.230 -5.953 6.205 1.00 0.00 C ATOM 1296 C VAL A 82 4.308 -4.938 6.545 1.00 0.00 C ATOM 1297 O VAL A 82 5.417 -4.990 6.010 1.00 0.00 O ATOM 1298 CB VAL A 82 3.858 -7.361 6.102 1.00 0.00 C ATOM 1299 CG1 VAL A 82 4.455 -7.787 7.435 1.00 0.00 C ATOM 1300 CG2 VAL A 82 2.830 -8.375 5.624 1.00 0.00 C ATOM 0 H VAL A 82 3.090 -5.787 4.130 1.00 0.00 H new ATOM 0 HA VAL A 82 2.479 -5.978 6.995 1.00 0.00 H new ATOM 0 HB VAL A 82 4.663 -7.320 5.368 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.891 -8.781 7.337 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.229 -7.079 7.730 1.00 0.00 H new ATOM 0 HG13 VAL A 82 3.673 -7.807 8.194 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.293 -9.360 5.559 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.999 -8.411 6.329 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.460 -8.082 4.642 1.00 0.00 H new ATOM 1310 N SER A 83 3.962 -3.992 7.401 1.00 0.00 N ATOM 1311 CA SER A 83 4.910 -2.998 7.869 1.00 0.00 C ATOM 1312 C SER A 83 6.017 -3.668 8.683 1.00 0.00 C ATOM 1313 O SER A 83 5.988 -4.880 8.914 1.00 0.00 O ATOM 1314 CB SER A 83 4.181 -1.963 8.729 1.00 0.00 C ATOM 1315 OG SER A 83 3.012 -1.484 8.085 1.00 0.00 O ATOM 0 H SER A 83 3.024 -3.892 7.788 1.00 0.00 H new ATOM 0 HA SER A 83 5.361 -2.501 7.010 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.913 -2.408 9.687 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.849 -1.128 8.941 1.00 0.00 H new ATOM 0 HG SER A 83 3.218 -1.269 7.151 1.00 0.00 H new ATOM 1321 N ARG A 84 6.988 -2.883 9.130 1.00 0.00 N ATOM 1322 CA ARG A 84 8.048 -3.407 9.983 1.00 0.00 C ATOM 1323 C ARG A 84 7.492 -3.796 11.354 1.00 0.00 C ATOM 1324 O ARG A 84 8.154 -4.474 12.143 1.00 0.00 O ATOM 1325 CB ARG A 84 9.184 -2.391 10.112 1.00 0.00 C ATOM 1326 CG ARG A 84 10.008 -2.260 8.839 1.00 0.00 C ATOM 1327 CD ARG A 84 11.045 -1.156 8.943 1.00 0.00 C ATOM 1328 NE ARG A 84 10.428 0.164 9.053 1.00 0.00 N ATOM 1329 CZ ARG A 84 11.011 1.299 8.679 1.00 0.00 C ATOM 1330 NH1 ARG A 84 12.217 1.290 8.126 1.00 0.00 N ATOM 1331 NH2 ARG A 84 10.370 2.445 8.841 1.00 0.00 N ATOM 0 H ARG A 84 7.065 -1.888 8.919 1.00 0.00 H new ATOM 0 HA ARG A 84 8.455 -4.306 9.521 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.767 -1.418 10.371 1.00 0.00 H new ATOM 0 HB3 ARG A 84 9.837 -2.686 10.933 1.00 0.00 H new ATOM 0 HG2 ARG A 84 10.506 -3.207 8.631 1.00 0.00 H new ATOM 0 HG3 ARG A 84 9.345 -2.057 7.998 1.00 0.00 H new ATOM 0 HD2 ARG A 84 11.678 -1.334 9.812 1.00 0.00 H new ATOM 0 HD3 ARG A 84 11.692 -1.182 8.066 1.00 0.00 H new ATOM 0 HE ARG A 84 9.487 0.218 9.443 1.00 0.00 H new ATOM 0 HH11 ARG A 84 12.706 0.406 7.984 1.00 0.00 H new ATOM 0 HH12 ARG A 84 12.655 2.167 7.843 1.00 0.00 H new ATOM 0 HH21 ARG A 84 9.436 2.453 9.250 1.00 0.00 H new ATOM 0 HH22 ARG A 84 10.810 3.320 8.557 1.00 0.00 H new ATOM 1345 N THR A 85 6.269 -3.363 11.625 1.00 0.00 N ATOM 1346 CA THR A 85 5.530 -3.801 12.795 1.00 0.00 C ATOM 1347 C THR A 85 4.838 -5.137 12.511 1.00 0.00 C ATOM 1348 O THR A 85 4.437 -5.400 11.376 1.00 0.00 O ATOM 1349 CB THR A 85 4.483 -2.748 13.197 1.00 0.00 C ATOM 1350 OG1 THR A 85 3.910 -2.161 12.018 1.00 0.00 O ATOM 1351 CG2 THR A 85 5.106 -1.664 14.065 1.00 0.00 C ATOM 0 H THR A 85 5.763 -2.699 11.039 1.00 0.00 H new ATOM 0 HA THR A 85 6.233 -3.929 13.618 1.00 0.00 H new ATOM 0 HB THR A 85 3.702 -3.241 13.776 1.00 0.00 H new ATOM 0 HG1 THR A 85 3.242 -1.492 12.277 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.345 -0.932 14.335 1.00 0.00 H new ATOM 0 HG22 THR A 85 5.515 -2.113 14.970 1.00 0.00 H new ATOM 0 HG23 THR A 85 5.905 -1.169 13.512 1.00 0.00 H new ATOM 1359 N PRO A 86 4.701 -6.001 13.531 1.00 0.00 N ATOM 1360 CA PRO A 86 4.108 -7.338 13.372 1.00 0.00 C ATOM 1361 C PRO A 86 2.661 -7.300 12.878 1.00 0.00 C ATOM 1362 O PRO A 86 1.914 -6.360 13.164 1.00 0.00 O ATOM 1363 CB PRO A 86 4.172 -7.934 14.783 1.00 0.00 C ATOM 1364 CG PRO A 86 5.207 -7.134 15.492 1.00 0.00 C ATOM 1365 CD PRO A 86 5.115 -5.752 14.919 1.00 0.00 C ATOM 0 HA PRO A 86 4.642 -7.919 12.620 1.00 0.00 H new ATOM 0 HB2 PRO A 86 3.207 -7.865 15.285 1.00 0.00 H new ATOM 0 HB3 PRO A 86 4.441 -8.990 14.754 1.00 0.00 H new ATOM 0 HG2 PRO A 86 5.026 -7.125 16.567 1.00 0.00 H new ATOM 0 HG3 PRO A 86 6.200 -7.556 15.339 1.00 0.00 H new ATOM 0 HD2 PRO A 86 4.389 -5.140 15.454 1.00 0.00 H new ATOM 0 HD3 PRO A 86 6.070 -5.229 14.968 1.00 0.00 H new ATOM 1373 N ASP A 87 2.277 -8.333 12.134 1.00 0.00 N ATOM 1374 CA ASP A 87 0.924 -8.442 11.598 1.00 0.00 C ATOM 1375 C ASP A 87 -0.087 -8.684 12.713 1.00 0.00 C ATOM 1376 O ASP A 87 0.099 -9.570 13.552 1.00 0.00 O ATOM 1377 CB ASP A 87 0.847 -9.570 10.561 1.00 0.00 C ATOM 1378 CG ASP A 87 -0.577 -9.889 10.140 1.00 0.00 C ATOM 1379 OD1 ASP A 87 -1.202 -9.062 9.442 1.00 0.00 O ATOM 1380 OD2 ASP A 87 -1.082 -10.973 10.507 1.00 0.00 O ATOM 0 H ASP A 87 2.888 -9.111 11.887 1.00 0.00 H new ATOM 0 HA ASP A 87 0.678 -7.498 11.111 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.426 -9.288 9.682 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.309 -10.467 10.973 1.00 0.00 H new ATOM 1385 N ASN A 88 -1.147 -7.880 12.704 1.00 0.00 N ATOM 1386 CA ASN A 88 -2.214 -7.948 13.704 1.00 0.00 C ATOM 1387 C ASN A 88 -1.659 -7.743 15.111 1.00 0.00 C ATOM 1388 O ASN A 88 -1.827 -8.587 15.996 1.00 0.00 O ATOM 1389 CB ASN A 88 -2.975 -9.277 13.623 1.00 0.00 C ATOM 1390 CG ASN A 88 -4.303 -9.227 14.361 1.00 0.00 C ATOM 1391 OD1 ASN A 88 -4.723 -10.206 14.980 1.00 0.00 O ATOM 1392 ND2 ASN A 88 -4.992 -8.098 14.272 1.00 0.00 N ATOM 0 H ASN A 88 -1.293 -7.158 11.999 1.00 0.00 H new ATOM 0 HA ASN A 88 -2.915 -7.142 13.486 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.152 -9.529 12.577 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -2.359 -10.072 14.042 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -5.902 -8.019 14.725 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -4.612 -7.308 13.751 1.00 0.00 H new ATOM 1399 N GLU A 89 -0.977 -6.623 15.302 1.00 0.00 N ATOM 1400 CA GLU A 89 -0.451 -6.256 16.609 1.00 0.00 C ATOM 1401 C GLU A 89 -1.596 -5.976 17.578 1.00 0.00 C ATOM 1402 O GLU A 89 -1.706 -6.600 18.635 1.00 0.00 O ATOM 1403 CB GLU A 89 0.453 -5.023 16.478 1.00 0.00 C ATOM 1404 CG GLU A 89 1.014 -4.514 17.798 1.00 0.00 C ATOM 1405 CD GLU A 89 1.915 -5.518 18.487 1.00 0.00 C ATOM 1406 OE1 GLU A 89 3.093 -5.633 18.092 1.00 0.00 O ATOM 1407 OE2 GLU A 89 1.455 -6.178 19.440 1.00 0.00 O ATOM 0 H GLU A 89 -0.774 -5.949 14.564 1.00 0.00 H new ATOM 0 HA GLU A 89 0.138 -7.085 17.002 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.282 -5.264 15.813 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -0.113 -4.221 16.004 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.573 -3.596 17.618 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.189 -4.259 18.463 1.00 0.00 H new ATOM 1414 N LEU A 90 -2.458 -5.053 17.192 1.00 0.00 N ATOM 1415 CA LEU A 90 -3.569 -4.639 18.035 1.00 0.00 C ATOM 1416 C LEU A 90 -4.693 -5.667 18.005 1.00 0.00 C ATOM 1417 O LEU A 90 -5.154 -6.072 16.936 1.00 0.00 O ATOM 1418 CB LEU A 90 -4.098 -3.275 17.586 1.00 0.00 C ATOM 1419 CG LEU A 90 -3.089 -2.129 17.665 1.00 0.00 C ATOM 1420 CD1 LEU A 90 -3.712 -0.840 17.155 1.00 0.00 C ATOM 1421 CD2 LEU A 90 -2.589 -1.952 19.092 1.00 0.00 C ATOM 0 H LEU A 90 -2.411 -4.572 16.294 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.202 -4.561 19.059 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.448 -3.359 16.557 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.963 -3.019 18.197 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.236 -2.376 17.032 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.982 -0.033 17.217 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.021 -0.971 16.118 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.581 -0.590 17.763 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -1.872 -1.132 19.127 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.431 -1.727 19.747 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.106 -2.871 19.425 1.00 0.00 H new ATOM 1433 N GLU A 91 -5.124 -6.082 19.186 1.00 0.00 N ATOM 1434 CA GLU A 91 -6.204 -7.043 19.314 1.00 0.00 C ATOM 1435 C GLU A 91 -7.541 -6.316 19.398 1.00 0.00 C ATOM 1436 O GLU A 91 -7.649 -5.272 20.045 1.00 0.00 O ATOM 1437 CB GLU A 91 -6.004 -7.906 20.564 1.00 0.00 C ATOM 1438 CG GLU A 91 -7.053 -8.993 20.728 1.00 0.00 C ATOM 1439 CD GLU A 91 -6.972 -9.689 22.069 1.00 0.00 C ATOM 1440 OE1 GLU A 91 -6.184 -10.643 22.204 1.00 0.00 O ATOM 1441 OE2 GLU A 91 -7.710 -9.297 22.994 1.00 0.00 O ATOM 0 H GLU A 91 -4.738 -5.764 20.075 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.201 -7.689 18.436 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.018 -8.368 20.522 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.018 -7.264 21.445 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.044 -8.555 20.610 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.933 -9.730 19.934 1.00 0.00 H new ATOM 1448 N HIS A 92 -8.551 -6.861 18.738 1.00 0.00 N ATOM 1449 CA HIS A 92 -9.886 -6.288 18.794 1.00 0.00 C ATOM 1450 C HIS A 92 -10.683 -6.952 19.908 1.00 0.00 C ATOM 1451 O HIS A 92 -10.268 -7.976 20.450 1.00 0.00 O ATOM 1452 CB HIS A 92 -10.604 -6.434 17.449 1.00 0.00 C ATOM 1453 CG HIS A 92 -10.004 -5.600 16.356 1.00 0.00 C ATOM 1454 ND1 HIS A 92 -10.680 -4.574 15.728 1.00 0.00 N ATOM 1455 CD2 HIS A 92 -8.777 -5.642 15.784 1.00 0.00 C ATOM 1456 CE1 HIS A 92 -9.895 -4.027 14.817 1.00 0.00 C ATOM 1457 NE2 HIS A 92 -8.737 -4.656 14.834 1.00 0.00 N ATOM 0 H HIS A 92 -8.472 -7.697 18.159 1.00 0.00 H new ATOM 0 HA HIS A 92 -9.801 -5.222 19.007 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -10.585 -7.481 17.148 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -11.651 -6.157 17.573 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -7.978 -6.326 16.031 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -10.158 -3.204 14.169 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -7.939 -4.443 14.236 1.00 0.00 H new ATOM 1466 N HIS A 93 -11.834 -6.389 20.238 1.00 0.00 N ATOM 1467 CA HIS A 93 -12.581 -6.836 21.406 1.00 0.00 C ATOM 1468 C HIS A 93 -13.501 -8.010 21.067 1.00 0.00 C ATOM 1469 O HIS A 93 -14.295 -8.450 21.894 1.00 0.00 O ATOM 1470 CB HIS A 93 -13.381 -5.670 21.996 1.00 0.00 C ATOM 1471 CG HIS A 93 -13.855 -5.908 23.398 1.00 0.00 C ATOM 1472 ND1 HIS A 93 -12.995 -6.038 24.467 1.00 0.00 N ATOM 1473 CD2 HIS A 93 -15.103 -6.048 23.903 1.00 0.00 C ATOM 1474 CE1 HIS A 93 -13.692 -6.244 25.567 1.00 0.00 C ATOM 1475 NE2 HIS A 93 -14.971 -6.255 25.253 1.00 0.00 N ATOM 0 H HIS A 93 -12.270 -5.627 19.719 1.00 0.00 H new ATOM 0 HA HIS A 93 -11.868 -7.187 22.152 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -12.763 -4.772 21.979 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -14.244 -5.475 21.359 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -16.028 -6.005 23.348 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -13.283 -6.381 26.557 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -15.740 -6.395 25.908 1.00 0.00 H new ATOM 1484 N HIS A 94 -13.381 -8.531 19.853 1.00 0.00 N ATOM 1485 CA HIS A 94 -14.163 -9.695 19.455 1.00 0.00 C ATOM 1486 C HIS A 94 -13.264 -10.921 19.354 1.00 0.00 C ATOM 1487 O HIS A 94 -13.405 -11.873 20.119 1.00 0.00 O ATOM 1488 CB HIS A 94 -14.876 -9.452 18.120 1.00 0.00 C ATOM 1489 CG HIS A 94 -15.845 -8.310 18.148 1.00 0.00 C ATOM 1490 ND1 HIS A 94 -15.834 -7.290 17.221 1.00 0.00 N ATOM 1491 CD2 HIS A 94 -16.867 -8.036 18.989 1.00 0.00 C ATOM 1492 CE1 HIS A 94 -16.805 -6.440 17.492 1.00 0.00 C ATOM 1493 NE2 HIS A 94 -17.449 -6.870 18.560 1.00 0.00 N ATOM 0 H HIS A 94 -12.756 -8.170 19.132 1.00 0.00 H new ATOM 0 HA HIS A 94 -14.922 -9.870 20.217 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -14.129 -9.263 17.349 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -15.407 -10.359 17.833 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -17.170 -8.626 19.841 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -17.034 -5.544 16.934 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -18.249 -6.411 18.996 1.00 0.00 H new ATOM 1502 N HIS A 95 -12.325 -10.883 18.417 1.00 0.00 N ATOM 1503 CA HIS A 95 -11.392 -11.988 18.219 1.00 0.00 C ATOM 1504 C HIS A 95 -10.168 -11.791 19.102 1.00 0.00 C ATOM 1505 O HIS A 95 -9.336 -10.924 18.832 1.00 0.00 O ATOM 1506 CB HIS A 95 -10.955 -12.081 16.751 1.00 0.00 C ATOM 1507 CG HIS A 95 -12.079 -12.269 15.772 1.00 0.00 C ATOM 1508 ND1 HIS A 95 -11.879 -12.367 14.413 1.00 0.00 N ATOM 1509 CD2 HIS A 95 -13.418 -12.355 15.958 1.00 0.00 C ATOM 1510 CE1 HIS A 95 -13.044 -12.506 13.807 1.00 0.00 C ATOM 1511 NE2 HIS A 95 -13.994 -12.503 14.721 1.00 0.00 N ATOM 0 H HIS A 95 -12.188 -10.098 17.780 1.00 0.00 H new ATOM 0 HA HIS A 95 -11.897 -12.915 18.489 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -10.412 -11.173 16.490 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -10.257 -12.912 16.646 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -13.936 -12.315 16.905 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -13.193 -12.605 12.742 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -14.993 -12.596 14.539 1.00 0.00 H new ATOM 1520 N HIS A 96 -10.064 -12.580 20.161 1.00 0.00 N ATOM 1521 CA HIS A 96 -8.971 -12.426 21.112 1.00 0.00 C ATOM 1522 C HIS A 96 -7.871 -13.447 20.858 1.00 0.00 C ATOM 1523 O HIS A 96 -8.126 -14.543 20.360 1.00 0.00 O ATOM 1524 CB HIS A 96 -9.472 -12.569 22.553 1.00 0.00 C ATOM 1525 CG HIS A 96 -10.484 -11.541 22.950 1.00 0.00 C ATOM 1526 ND1 HIS A 96 -10.158 -10.232 23.234 1.00 0.00 N ATOM 1527 CD2 HIS A 96 -11.824 -11.634 23.110 1.00 0.00 C ATOM 1528 CE1 HIS A 96 -11.250 -9.567 23.554 1.00 0.00 C ATOM 1529 NE2 HIS A 96 -12.274 -10.394 23.483 1.00 0.00 N ATOM 0 H HIS A 96 -10.719 -13.330 20.384 1.00 0.00 H new ATOM 0 HA HIS A 96 -8.563 -11.425 20.973 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -9.908 -13.560 22.679 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -8.621 -12.507 23.231 1.00 0.00 H new ATOM 0 HD1 HIS A 96 -9.217 -9.839 23.202 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -12.426 -12.519 22.970 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -11.298 -8.523 23.828 1.00 0.00 H new ATOM 1538 N HIS A 97 -6.651 -13.071 21.200 1.00 0.00 N ATOM 1539 CA HIS A 97 -5.512 -13.968 21.107 1.00 0.00 C ATOM 1540 C HIS A 97 -5.158 -14.478 22.498 1.00 0.00 C ATOM 1541 O HIS A 97 -5.585 -15.593 22.851 1.00 0.00 O ATOM 1542 CB HIS A 97 -4.313 -13.244 20.471 1.00 0.00 C ATOM 1543 CG HIS A 97 -3.038 -14.039 20.476 1.00 0.00 C ATOM 1544 ND1 HIS A 97 -2.652 -14.858 19.439 1.00 0.00 N ATOM 1545 CD2 HIS A 97 -2.054 -14.125 21.404 1.00 0.00 C ATOM 1546 CE1 HIS A 97 -1.491 -15.416 19.730 1.00 0.00 C ATOM 1547 NE2 HIS A 97 -1.108 -14.987 20.917 1.00 0.00 N ATOM 1548 OXT HIS A 97 -4.470 -13.752 23.241 1.00 0.00 O ATOM 0 H HIS A 97 -6.422 -12.140 21.548 1.00 0.00 H new ATOM 0 HA HIS A 97 -5.769 -14.816 20.472 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -4.563 -12.987 19.442 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -4.146 -12.307 21.002 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -2.022 -13.609 22.352 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -0.947 -16.107 19.102 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -0.247 -15.254 21.395 1.00 0.00 H new TER 1557 HIS A 97