USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 449 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 40 SER OG : rot 130:sc= -1.2! USER MOD Set 1.2: A 43 THR OG1 : rot 133:sc= 0.968 USER MOD Single : A 19 GLN : amide:sc=-0.00996 K(o=-0.01,f=-1.4!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.918 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.24 K(o=-0.24,f=-2!) USER MOD Single : A 31 HIS : no HD1:sc= -0.97 K(o=-0.97,f=-2.5!) USER MOD Single : A 34 SER OG : rot -75:sc= 0.386 USER MOD Single : A 36 LYS NZ :NH3+ -146:sc= 0.0425 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -2.74! C(o=-2.7!,f=-2.5!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= -1.11 K(o=-1.1,f=-2.4!) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN :FLIP amide:sc= 0.793 F(o=-0.0023,f=0.79) USER MOD Single : A 51 MET CE :methyl -106:sc= -1.45 (180deg=-6.19!) USER MOD Single : A 52 MET CE :methyl -103:sc= -7.15! (180deg=-11.9!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.0215 X(o=-0.021,f=-0.21) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.921 K(o=-0.92,f=-1.7) USER MOD Single : A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 165:sc= -0.741 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 15 9.277 -3.451 -6.876 1.00 0.00 N ATOM 2 CA LEU A 15 8.666 -4.657 -7.408 1.00 0.00 C ATOM 3 C LEU A 15 7.720 -5.249 -6.362 1.00 0.00 C ATOM 4 O LEU A 15 6.532 -5.430 -6.626 1.00 0.00 O ATOM 5 CB LEU A 15 9.740 -5.636 -7.889 1.00 0.00 C ATOM 6 CG LEU A 15 9.854 -5.815 -9.405 1.00 0.00 C ATOM 7 CD1 LEU A 15 8.562 -6.389 -9.988 1.00 0.00 C ATOM 8 CD2 LEU A 15 10.256 -4.504 -10.083 1.00 0.00 C ATOM 0 HA LEU A 15 8.065 -4.422 -8.286 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.705 -5.301 -7.509 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.542 -6.610 -7.442 1.00 0.00 H new ATOM 0 HG LEU A 15 10.646 -6.537 -9.605 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.670 -6.506 -11.066 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.359 -7.360 -9.536 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.735 -5.711 -9.778 1.00 0.00 H new ATOM 0 HD21 LEU A 15 10.330 -4.659 -11.159 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.504 -3.742 -9.877 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.221 -4.175 -9.697 1.00 0.00 H new ATOM 19 N ARG A 16 8.281 -5.533 -5.196 1.00 0.00 N ATOM 20 CA ARG A 16 7.503 -6.102 -4.109 1.00 0.00 C ATOM 21 C ARG A 16 6.489 -5.078 -3.591 1.00 0.00 C ATOM 22 O ARG A 16 5.308 -5.388 -3.442 1.00 0.00 O ATOM 23 CB ARG A 16 8.407 -6.542 -2.955 1.00 0.00 C ATOM 24 CG ARG A 16 8.660 -8.050 -3.003 1.00 0.00 C ATOM 25 CD ARG A 16 9.653 -8.404 -4.113 1.00 0.00 C ATOM 26 NE ARG A 16 10.952 -8.795 -3.523 1.00 0.00 N ATOM 27 CZ ARG A 16 12.045 -9.119 -4.247 1.00 0.00 C ATOM 28 NH1 ARG A 16 12.003 -9.102 -5.595 1.00 0.00 N ATOM 29 NH2 ARG A 16 13.156 -9.452 -3.614 1.00 0.00 N ATOM 0 H ARG A 16 9.266 -5.379 -4.980 1.00 0.00 H new ATOM 0 HA ARG A 16 6.979 -6.975 -4.498 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.356 -6.008 -3.008 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.944 -6.277 -2.004 1.00 0.00 H new ATOM 0 HG2 ARG A 16 9.047 -8.388 -2.042 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.720 -8.575 -3.170 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.259 -9.220 -4.718 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.788 -7.551 -4.777 1.00 0.00 H new ATOM 0 HE ARG A 16 11.027 -8.822 -2.506 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.141 -8.843 -6.075 1.00 0.00 H new ATOM 0 HH12 ARG A 16 12.833 -9.348 -6.134 1.00 0.00 H new ATOM 0 HH21 ARG A 16 13.179 -9.462 -2.594 1.00 0.00 H new ATOM 0 HH22 ARG A 16 13.991 -9.700 -4.145 1.00 0.00 H new ATOM 39 N GLU A 17 6.988 -3.878 -3.331 1.00 0.00 N ATOM 40 CA GLU A 17 6.142 -2.808 -2.833 1.00 0.00 C ATOM 41 C GLU A 17 5.491 -2.060 -3.999 1.00 0.00 C ATOM 42 O GLU A 17 4.438 -1.445 -3.838 1.00 0.00 O ATOM 43 CB GLU A 17 6.934 -1.851 -1.942 1.00 0.00 C ATOM 44 CG GLU A 17 7.516 -2.585 -0.732 1.00 0.00 C ATOM 45 CD GLU A 17 8.584 -3.593 -1.163 1.00 0.00 C ATOM 46 OE1 GLU A 17 9.259 -3.383 -2.180 1.00 0.00 O ATOM 47 OE2 GLU A 17 8.699 -4.625 -0.398 1.00 0.00 O ATOM 0 H GLU A 17 7.968 -3.624 -3.456 1.00 0.00 H new ATOM 0 HA GLU A 17 5.353 -3.249 -2.224 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.740 -1.395 -2.517 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.286 -1.042 -1.604 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.950 -1.864 -0.039 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.719 -3.101 -0.197 1.00 0.00 H new ATOM 53 N ARG A 18 6.148 -2.135 -5.148 1.00 0.00 N ATOM 54 CA ARG A 18 5.647 -1.472 -6.340 1.00 0.00 C ATOM 55 C ARG A 18 4.324 -2.100 -6.782 1.00 0.00 C ATOM 56 O ARG A 18 3.454 -1.414 -7.315 1.00 0.00 O ATOM 57 CB ARG A 18 6.656 -1.567 -7.487 1.00 0.00 C ATOM 58 CG ARG A 18 7.560 -0.332 -7.526 1.00 0.00 C ATOM 59 CD ARG A 18 8.576 -0.433 -8.664 1.00 0.00 C ATOM 60 NE ARG A 18 8.923 0.919 -9.155 1.00 0.00 N ATOM 61 CZ ARG A 18 8.134 1.653 -9.969 1.00 0.00 C ATOM 62 NH1 ARG A 18 6.946 1.170 -10.391 1.00 0.00 N ATOM 63 NH2 ARG A 18 8.543 2.851 -10.347 1.00 0.00 N ATOM 0 H ARG A 18 7.022 -2.644 -5.278 1.00 0.00 H new ATOM 0 HA ARG A 18 5.490 -0.422 -6.094 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.264 -2.464 -7.368 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.127 -1.665 -8.435 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.953 0.564 -7.654 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.083 -0.229 -6.575 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.474 -0.944 -8.316 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.164 -1.030 -9.478 1.00 0.00 H new ATOM 0 HE ARG A 18 9.813 1.321 -8.861 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.638 0.244 -10.095 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.357 1.731 -11.006 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.442 3.208 -10.024 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.960 3.419 -10.962 1.00 0.00 H new ATOM 73 N GLN A 19 4.213 -3.398 -6.541 1.00 0.00 N ATOM 74 CA GLN A 19 3.010 -4.127 -6.907 1.00 0.00 C ATOM 75 C GLN A 19 1.969 -4.028 -5.789 1.00 0.00 C ATOM 76 O GLN A 19 0.775 -3.907 -6.059 1.00 0.00 O ATOM 77 CB GLN A 19 3.331 -5.588 -7.229 1.00 0.00 C ATOM 78 CG GLN A 19 3.481 -6.413 -5.949 1.00 0.00 C ATOM 79 CD GLN A 19 4.053 -7.799 -6.252 1.00 0.00 C ATOM 80 OE1 GLN A 19 4.675 -8.031 -7.276 1.00 0.00 O ATOM 81 NE2 GLN A 19 3.809 -8.703 -5.308 1.00 0.00 N ATOM 0 H GLN A 19 4.936 -3.964 -6.097 1.00 0.00 H new ATOM 0 HA GLN A 19 2.593 -3.674 -7.807 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.539 -6.010 -7.847 1.00 0.00 H new ATOM 0 HB3 GLN A 19 4.251 -5.642 -7.810 1.00 0.00 H new ATOM 0 HG2 GLN A 19 4.135 -5.891 -5.251 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.511 -6.515 -5.462 1.00 0.00 H new ATOM 0 HE21 GLN A 19 3.282 -8.441 -4.475 1.00 0.00 H new ATOM 0 HE22 GLN A 19 4.149 -9.658 -5.417 1.00 0.00 H new ATOM 88 N VAL A 20 2.460 -4.083 -4.561 1.00 0.00 N ATOM 89 CA VAL A 20 1.588 -3.999 -3.403 1.00 0.00 C ATOM 90 C VAL A 20 1.097 -2.560 -3.241 1.00 0.00 C ATOM 91 O VAL A 20 -0.064 -2.331 -2.905 1.00 0.00 O ATOM 92 CB VAL A 20 2.314 -4.526 -2.162 1.00 0.00 C ATOM 93 CG1 VAL A 20 1.366 -4.598 -0.961 1.00 0.00 C ATOM 94 CG2 VAL A 20 2.950 -5.889 -2.438 1.00 0.00 C ATOM 0 H VAL A 20 3.451 -4.185 -4.342 1.00 0.00 H new ATOM 0 HA VAL A 20 0.709 -4.628 -3.542 1.00 0.00 H new ATOM 0 HB VAL A 20 3.113 -3.825 -1.918 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.907 -4.975 -0.093 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.979 -3.603 -0.743 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.537 -5.267 -1.191 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.459 -6.241 -1.541 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.175 -6.602 -2.719 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.670 -5.797 -3.251 1.00 0.00 H new ATOM 104 N LEU A 21 2.004 -1.628 -3.487 1.00 0.00 N ATOM 105 CA LEU A 21 1.677 -0.216 -3.374 1.00 0.00 C ATOM 106 C LEU A 21 0.560 0.125 -4.362 1.00 0.00 C ATOM 107 O LEU A 21 -0.519 0.558 -3.959 1.00 0.00 O ATOM 108 CB LEU A 21 2.933 0.640 -3.547 1.00 0.00 C ATOM 109 CG LEU A 21 2.723 2.155 -3.506 1.00 0.00 C ATOM 110 CD1 LEU A 21 1.735 2.542 -2.404 1.00 0.00 C ATOM 111 CD2 LEU A 21 4.058 2.890 -3.363 1.00 0.00 C ATOM 0 H LEU A 21 2.966 -1.822 -3.764 1.00 0.00 H new ATOM 0 HA LEU A 21 1.300 0.009 -2.376 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.643 0.370 -2.765 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.395 0.383 -4.500 1.00 0.00 H new ATOM 0 HG LEU A 21 2.285 2.465 -4.455 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.604 3.624 -2.397 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.775 2.061 -2.591 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.122 2.217 -1.438 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.880 3.965 -3.336 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.547 2.580 -2.439 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.699 2.649 -4.211 1.00 0.00 H new ATOM 122 N LYS A 22 0.857 -0.082 -5.636 1.00 0.00 N ATOM 123 CA LYS A 22 -0.110 0.199 -6.685 1.00 0.00 C ATOM 124 C LYS A 22 -1.467 -0.385 -6.290 1.00 0.00 C ATOM 125 O LYS A 22 -2.508 0.214 -6.561 1.00 0.00 O ATOM 126 CB LYS A 22 0.405 -0.301 -8.035 1.00 0.00 C ATOM 127 CG LYS A 22 0.977 0.851 -8.865 1.00 0.00 C ATOM 128 CD LYS A 22 1.644 0.331 -10.141 1.00 0.00 C ATOM 129 CE LYS A 22 2.394 1.451 -10.863 1.00 0.00 C ATOM 130 NZ LYS A 22 3.036 0.937 -12.093 1.00 0.00 N ATOM 0 H LYS A 22 1.753 -0.441 -5.966 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.246 1.274 -6.800 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.174 -1.057 -7.877 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.406 -0.781 -8.583 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.180 1.547 -9.125 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.703 1.406 -8.271 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.336 -0.473 -9.892 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.889 -0.092 -10.804 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.703 2.255 -11.115 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.149 1.876 -10.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.541 1.711 -12.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.710 0.185 -11.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.309 0.553 -12.730 1.00 0.00 H new ATOM 139 N LEU A 23 -1.415 -1.547 -5.656 1.00 0.00 N ATOM 140 CA LEU A 23 -2.628 -2.219 -5.222 1.00 0.00 C ATOM 141 C LEU A 23 -3.179 -1.514 -3.981 1.00 0.00 C ATOM 142 O LEU A 23 -4.328 -1.076 -3.970 1.00 0.00 O ATOM 143 CB LEU A 23 -2.370 -3.713 -5.018 1.00 0.00 C ATOM 144 CG LEU A 23 -3.563 -4.540 -4.536 1.00 0.00 C ATOM 145 CD1 LEU A 23 -3.326 -6.033 -4.772 1.00 0.00 C ATOM 146 CD2 LEU A 23 -3.887 -4.235 -3.072 1.00 0.00 C ATOM 0 H LEU A 23 -0.551 -2.041 -5.432 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.396 -2.155 -5.993 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.019 -4.133 -5.961 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.560 -3.826 -4.298 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.436 -4.255 -5.124 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.189 -6.598 -4.421 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.182 -6.215 -5.837 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.437 -6.351 -4.227 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.739 -4.836 -2.755 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.023 -4.473 -2.451 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.130 -3.178 -2.966 1.00 0.00 H new ATOM 157 N ILE A 24 -2.333 -1.427 -2.964 1.00 0.00 N ATOM 158 CA ILE A 24 -2.721 -0.784 -1.720 1.00 0.00 C ATOM 159 C ILE A 24 -3.303 0.598 -2.025 1.00 0.00 C ATOM 160 O ILE A 24 -4.106 1.121 -1.256 1.00 0.00 O ATOM 161 CB ILE A 24 -1.544 -0.752 -0.743 1.00 0.00 C ATOM 162 CG1 ILE A 24 -1.995 -1.129 0.670 1.00 0.00 C ATOM 163 CG2 ILE A 24 -0.838 0.605 -0.777 1.00 0.00 C ATOM 164 CD1 ILE A 24 -0.798 -1.522 1.540 1.00 0.00 C ATOM 0 H ILE A 24 -1.380 -1.791 -2.977 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.503 -1.358 -1.223 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.817 -1.500 -1.060 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.520 -0.289 1.125 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.702 -1.957 0.621 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -0.006 0.600 -0.073 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.462 0.794 -1.782 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.543 1.389 -0.500 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.145 -1.785 2.539 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.290 -2.378 1.095 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -0.105 -0.683 1.606 1.00 0.00 H new ATOM 175 N ASP A 25 -2.874 1.150 -3.152 1.00 0.00 N ATOM 176 CA ASP A 25 -3.343 2.460 -3.569 1.00 0.00 C ATOM 177 C ASP A 25 -4.815 2.366 -3.973 1.00 0.00 C ATOM 178 O ASP A 25 -5.632 3.183 -3.553 1.00 0.00 O ATOM 179 CB ASP A 25 -2.552 2.969 -4.776 1.00 0.00 C ATOM 180 CG ASP A 25 -3.165 4.176 -5.489 1.00 0.00 C ATOM 181 OD1 ASP A 25 -3.243 4.218 -6.724 1.00 0.00 O ATOM 182 OD2 ASP A 25 -3.579 5.118 -4.708 1.00 0.00 O ATOM 0 H ASP A 25 -2.207 0.713 -3.788 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.209 3.148 -2.734 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.547 3.232 -4.448 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.450 2.155 -5.494 1.00 0.00 H new ATOM 187 N GLU A 26 -5.109 1.361 -4.787 1.00 0.00 N ATOM 188 CA GLU A 26 -6.469 1.149 -5.253 1.00 0.00 C ATOM 189 C GLU A 26 -7.433 1.092 -4.067 1.00 0.00 C ATOM 190 O GLU A 26 -8.524 1.659 -4.121 1.00 0.00 O ATOM 191 CB GLU A 26 -6.567 -0.120 -6.100 1.00 0.00 C ATOM 192 CG GLU A 26 -6.154 0.154 -7.548 1.00 0.00 C ATOM 193 CD GLU A 26 -5.474 -1.070 -8.165 1.00 0.00 C ATOM 194 OE1 GLU A 26 -6.121 -2.111 -8.351 1.00 0.00 O ATOM 195 OE2 GLU A 26 -4.226 -0.911 -8.457 1.00 0.00 O ATOM 0 H GLU A 26 -4.429 0.686 -5.135 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.751 1.991 -5.886 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.928 -0.895 -5.676 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.588 -0.500 -6.075 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.032 0.422 -8.136 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.476 1.007 -7.581 1.00 0.00 H new ATOM 201 N GLY A 27 -6.998 0.402 -3.023 1.00 0.00 N ATOM 202 CA GLY A 27 -7.809 0.263 -1.826 1.00 0.00 C ATOM 203 C GLY A 27 -7.802 -1.183 -1.324 1.00 0.00 C ATOM 204 O GLY A 27 -8.617 -1.997 -1.756 1.00 0.00 O ATOM 0 H GLY A 27 -6.093 -0.067 -2.982 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.430 0.924 -1.047 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.832 0.573 -2.038 1.00 0.00 H new ATOM 208 N TYR A 28 -6.876 -1.457 -0.418 1.00 0.00 N ATOM 209 CA TYR A 28 -6.752 -2.790 0.147 1.00 0.00 C ATOM 210 C TYR A 28 -5.904 -2.769 1.421 1.00 0.00 C ATOM 211 O TYR A 28 -4.782 -3.273 1.431 1.00 0.00 O ATOM 212 CB TYR A 28 -6.041 -3.632 -0.913 1.00 0.00 C ATOM 213 CG TYR A 28 -6.838 -3.809 -2.206 1.00 0.00 C ATOM 214 CD1 TYR A 28 -6.739 -2.868 -3.211 1.00 0.00 C ATOM 215 CD2 TYR A 28 -7.655 -4.908 -2.369 1.00 0.00 C ATOM 216 CE1 TYR A 28 -7.489 -3.034 -4.429 1.00 0.00 C ATOM 217 CE2 TYR A 28 -8.405 -5.074 -3.587 1.00 0.00 C ATOM 218 CZ TYR A 28 -8.286 -4.129 -4.557 1.00 0.00 C ATOM 219 OH TYR A 28 -8.994 -4.285 -5.707 1.00 0.00 O ATOM 0 H TYR A 28 -6.204 -0.778 -0.061 1.00 0.00 H new ATOM 0 HA TYR A 28 -7.732 -3.189 0.409 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -5.084 -3.167 -1.149 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -5.823 -4.615 -0.495 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -6.099 -2.007 -3.084 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -7.732 -5.644 -1.583 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -7.420 -2.305 -5.223 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -9.048 -5.930 -3.727 1.00 0.00 H new ATOM 0 HH TYR A 28 -9.518 -5.112 -5.659 1.00 0.00 H new ATOM 228 N THR A 29 -6.473 -2.182 2.463 1.00 0.00 N ATOM 229 CA THR A 29 -5.782 -2.087 3.738 1.00 0.00 C ATOM 230 C THR A 29 -4.809 -3.257 3.904 1.00 0.00 C ATOM 231 O THR A 29 -3.607 -3.103 3.691 1.00 0.00 O ATOM 232 CB THR A 29 -6.838 -2.014 4.843 1.00 0.00 C ATOM 233 OG1 THR A 29 -7.267 -0.656 4.822 1.00 0.00 O ATOM 234 CG2 THR A 29 -6.239 -2.196 6.239 1.00 0.00 C ATOM 0 H THR A 29 -7.405 -1.767 2.451 1.00 0.00 H new ATOM 0 HA THR A 29 -5.171 -1.186 3.792 1.00 0.00 H new ATOM 0 HB THR A 29 -7.596 -2.778 4.672 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.954 -0.519 5.507 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.031 -2.136 6.985 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.754 -3.170 6.303 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.505 -1.412 6.425 1.00 0.00 H new ATOM 242 N ASN A 30 -5.364 -4.398 4.282 1.00 0.00 N ATOM 243 CA ASN A 30 -4.560 -5.592 4.479 1.00 0.00 C ATOM 244 C ASN A 30 -5.326 -6.809 3.957 1.00 0.00 C ATOM 245 O ASN A 30 -4.827 -7.540 3.102 1.00 0.00 O ATOM 246 CB ASN A 30 -4.268 -5.821 5.964 1.00 0.00 C ATOM 247 CG ASN A 30 -2.913 -5.225 6.353 1.00 0.00 C ATOM 248 OD1 ASN A 30 -2.247 -4.567 5.571 1.00 0.00 O ATOM 249 ND2 ASN A 30 -2.543 -5.494 7.602 1.00 0.00 N ATOM 0 H ASN A 30 -6.361 -4.522 4.457 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.621 -5.458 3.942 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -5.055 -5.369 6.567 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -4.275 -6.889 6.179 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -1.654 -5.143 7.957 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.149 -6.051 8.204 1.00 0.00 H new ATOM 255 N HIS A 31 -6.525 -6.989 4.491 1.00 0.00 N ATOM 256 CA HIS A 31 -7.364 -8.105 4.089 1.00 0.00 C ATOM 257 C HIS A 31 -7.628 -8.032 2.583 1.00 0.00 C ATOM 258 O HIS A 31 -8.023 -9.022 1.970 1.00 0.00 O ATOM 259 CB HIS A 31 -8.651 -8.142 4.914 1.00 0.00 C ATOM 260 CG HIS A 31 -9.801 -8.839 4.228 1.00 0.00 C ATOM 261 ND1 HIS A 31 -10.476 -8.291 3.150 1.00 0.00 N ATOM 262 CD2 HIS A 31 -10.387 -10.045 4.476 1.00 0.00 C ATOM 263 CE1 HIS A 31 -11.423 -9.138 2.776 1.00 0.00 C ATOM 264 NE2 HIS A 31 -11.368 -10.224 3.599 1.00 0.00 N ATOM 0 H HIS A 31 -6.936 -6.380 5.199 1.00 0.00 H new ATOM 0 HA HIS A 31 -6.846 -9.043 4.288 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -8.449 -8.643 5.861 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -8.948 -7.120 5.151 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -10.102 -10.737 5.254 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -12.117 -8.994 1.962 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -11.979 -11.039 3.549 1.00 0.00 H new ATOM 271 N GLY A 32 -7.397 -6.851 2.031 1.00 0.00 N ATOM 272 CA GLY A 32 -7.603 -6.636 0.609 1.00 0.00 C ATOM 273 C GLY A 32 -6.463 -7.246 -0.210 1.00 0.00 C ATOM 274 O GLY A 32 -6.706 -7.950 -1.188 1.00 0.00 O ATOM 0 H GLY A 32 -7.069 -6.032 2.543 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.551 -7.079 0.305 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.670 -5.567 0.405 1.00 0.00 H new ATOM 278 N ILE A 33 -5.245 -6.952 0.222 1.00 0.00 N ATOM 279 CA ILE A 33 -4.068 -7.463 -0.459 1.00 0.00 C ATOM 280 C ILE A 33 -3.998 -8.980 -0.279 1.00 0.00 C ATOM 281 O ILE A 33 -3.229 -9.656 -0.962 1.00 0.00 O ATOM 282 CB ILE A 33 -2.813 -6.729 0.019 1.00 0.00 C ATOM 283 CG1 ILE A 33 -3.009 -5.213 -0.036 1.00 0.00 C ATOM 284 CG2 ILE A 33 -1.582 -7.177 -0.771 1.00 0.00 C ATOM 285 CD1 ILE A 33 -1.692 -4.500 -0.345 1.00 0.00 C ATOM 0 H ILE A 33 -5.048 -6.367 1.034 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.134 -7.272 -1.530 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.640 -6.993 1.062 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.748 -4.966 -0.798 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.403 -4.859 0.917 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.704 -6.640 -0.412 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.433 -8.248 -0.636 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.731 -6.962 -1.829 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.860 -3.424 -0.378 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.963 -4.730 0.432 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.313 -4.838 -1.309 1.00 0.00 H new ATOM 296 N SER A 34 -4.812 -9.474 0.643 1.00 0.00 N ATOM 297 CA SER A 34 -4.853 -10.900 0.921 1.00 0.00 C ATOM 298 C SER A 34 -5.803 -11.596 -0.056 1.00 0.00 C ATOM 299 O SER A 34 -5.460 -12.627 -0.630 1.00 0.00 O ATOM 300 CB SER A 34 -5.285 -11.167 2.364 1.00 0.00 C ATOM 301 OG SER A 34 -6.637 -11.609 2.442 1.00 0.00 O ATOM 0 H SER A 34 -5.449 -8.911 1.207 1.00 0.00 H new ATOM 0 HA SER A 34 -3.849 -11.304 0.791 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.631 -11.920 2.805 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.166 -10.257 2.952 1.00 0.00 H new ATOM 0 HG SER A 34 -7.239 -10.848 2.304 1.00 0.00 H new ATOM 306 N GLU A 35 -6.978 -11.003 -0.212 1.00 0.00 N ATOM 307 CA GLU A 35 -7.979 -11.553 -1.110 1.00 0.00 C ATOM 308 C GLU A 35 -7.719 -11.091 -2.545 1.00 0.00 C ATOM 309 O GLU A 35 -8.139 -11.746 -3.497 1.00 0.00 O ATOM 310 CB GLU A 35 -9.390 -11.170 -0.658 1.00 0.00 C ATOM 311 CG GLU A 35 -10.089 -12.351 0.020 1.00 0.00 C ATOM 312 CD GLU A 35 -10.878 -13.178 -0.997 1.00 0.00 C ATOM 313 OE1 GLU A 35 -10.416 -14.248 -1.418 1.00 0.00 O ATOM 314 OE2 GLU A 35 -12.011 -12.672 -1.349 1.00 0.00 O ATOM 0 H GLU A 35 -7.259 -10.148 0.268 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.905 -12.640 -1.081 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.338 -10.328 0.033 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.974 -10.842 -1.518 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.349 -12.982 0.512 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.761 -11.984 0.796 1.00 0.00 H new ATOM 320 N LYS A 36 -7.027 -9.966 -2.654 1.00 0.00 N ATOM 321 CA LYS A 36 -6.705 -9.409 -3.956 1.00 0.00 C ATOM 322 C LYS A 36 -5.354 -9.957 -4.421 1.00 0.00 C ATOM 323 O LYS A 36 -5.256 -10.544 -5.499 1.00 0.00 O ATOM 324 CB LYS A 36 -6.769 -7.881 -3.916 1.00 0.00 C ATOM 325 CG LYS A 36 -7.131 -7.311 -5.288 1.00 0.00 C ATOM 326 CD LYS A 36 -6.112 -6.260 -5.732 1.00 0.00 C ATOM 327 CE LYS A 36 -6.671 -5.399 -6.866 1.00 0.00 C ATOM 328 NZ LYS A 36 -5.697 -5.304 -7.976 1.00 0.00 N ATOM 0 H LYS A 36 -6.681 -9.426 -1.861 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.445 -9.716 -4.695 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.508 -7.564 -3.180 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.807 -7.482 -3.595 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.171 -8.116 -6.021 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.125 -6.865 -5.250 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.846 -5.626 -4.886 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.197 -6.752 -6.061 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.604 -5.828 -7.230 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.903 -4.402 -6.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.767 -4.366 -8.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.735 -5.441 -7.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.904 -6.038 -8.683 1.00 0.00 H new ATOM 337 N LEU A 37 -4.347 -9.746 -3.587 1.00 0.00 N ATOM 338 CA LEU A 37 -3.007 -10.213 -3.900 1.00 0.00 C ATOM 339 C LEU A 37 -2.907 -11.708 -3.594 1.00 0.00 C ATOM 340 O LEU A 37 -2.517 -12.496 -4.455 1.00 0.00 O ATOM 341 CB LEU A 37 -1.962 -9.365 -3.170 1.00 0.00 C ATOM 342 CG LEU A 37 -0.796 -8.861 -4.021 1.00 0.00 C ATOM 343 CD1 LEU A 37 -1.299 -8.219 -5.316 1.00 0.00 C ATOM 344 CD2 LEU A 37 0.096 -7.910 -3.220 1.00 0.00 C ATOM 0 H LEU A 37 -4.432 -9.258 -2.695 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.799 -10.091 -4.963 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.465 -8.503 -2.731 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.557 -9.952 -2.346 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.184 -9.718 -4.303 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.449 -7.869 -5.902 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.860 -8.954 -5.893 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.946 -7.376 -5.076 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.918 -7.566 -3.848 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.491 -7.053 -2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.497 -8.432 -2.352 1.00 0.00 H new ATOM 355 N HIS A 38 -3.267 -12.055 -2.368 1.00 0.00 N ATOM 356 CA HIS A 38 -3.224 -13.443 -1.939 1.00 0.00 C ATOM 357 C HIS A 38 -3.099 -13.505 -0.415 1.00 0.00 C ATOM 358 O HIS A 38 -2.309 -12.771 0.177 1.00 0.00 O ATOM 359 CB HIS A 38 -2.104 -14.198 -2.658 1.00 0.00 C ATOM 360 CG HIS A 38 -2.565 -14.975 -3.866 1.00 0.00 C ATOM 361 ND1 HIS A 38 -1.694 -15.663 -4.693 1.00 0.00 N ATOM 362 CD2 HIS A 38 -3.815 -15.167 -4.380 1.00 0.00 C ATOM 363 CE1 HIS A 38 -2.397 -16.238 -5.657 1.00 0.00 C ATOM 364 NE2 HIS A 38 -3.711 -15.929 -5.462 1.00 0.00 N ATOM 0 H HIS A 38 -3.590 -11.399 -1.657 1.00 0.00 H new ATOM 0 HA HIS A 38 -4.154 -13.942 -2.213 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.340 -13.485 -2.967 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.633 -14.885 -1.955 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -4.733 -14.767 -3.975 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -2.000 -16.845 -6.457 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -4.486 -16.233 -6.051 1.00 0.00 H new ATOM 371 N ILE A 39 -3.891 -14.388 0.176 1.00 0.00 N ATOM 372 CA ILE A 39 -3.879 -14.556 1.619 1.00 0.00 C ATOM 373 C ILE A 39 -2.444 -14.417 2.133 1.00 0.00 C ATOM 374 O ILE A 39 -1.666 -15.369 2.076 1.00 0.00 O ATOM 375 CB ILE A 39 -4.548 -15.876 2.010 1.00 0.00 C ATOM 376 CG1 ILE A 39 -3.814 -17.067 1.391 1.00 0.00 C ATOM 377 CG2 ILE A 39 -6.034 -15.866 1.648 1.00 0.00 C ATOM 378 CD1 ILE A 39 -3.272 -18.002 2.473 1.00 0.00 C ATOM 0 H ILE A 39 -4.545 -14.995 -0.319 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.466 -13.773 2.099 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.482 -15.985 3.093 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.492 -17.616 0.737 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.993 -16.709 0.770 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -6.485 -16.815 1.936 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.532 -15.053 2.176 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.146 -15.723 0.573 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.755 -18.840 2.005 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.576 -17.456 3.110 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.098 -18.377 3.077 1.00 0.00 H new ATOM 389 N SER A 40 -2.138 -13.225 2.622 1.00 0.00 N ATOM 390 CA SER A 40 -0.811 -12.950 3.145 1.00 0.00 C ATOM 391 C SER A 40 -0.780 -11.564 3.794 1.00 0.00 C ATOM 392 O SER A 40 0.083 -10.746 3.479 1.00 0.00 O ATOM 393 CB SER A 40 0.246 -13.043 2.043 1.00 0.00 C ATOM 394 OG SER A 40 1.473 -13.586 2.524 1.00 0.00 O ATOM 0 H SER A 40 -2.786 -12.439 2.667 1.00 0.00 H new ATOM 0 HA SER A 40 -0.579 -13.702 3.899 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.131 -13.664 1.230 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.426 -12.051 1.629 1.00 0.00 H new ATOM 0 HG SER A 40 1.765 -14.310 1.931 1.00 0.00 H new ATOM 399 N ILE A 41 -1.734 -11.343 4.687 1.00 0.00 N ATOM 400 CA ILE A 41 -1.828 -10.070 5.383 1.00 0.00 C ATOM 401 C ILE A 41 -0.504 -9.787 6.098 1.00 0.00 C ATOM 402 O ILE A 41 -0.141 -8.630 6.302 1.00 0.00 O ATOM 403 CB ILE A 41 -3.045 -10.056 6.309 1.00 0.00 C ATOM 404 CG1 ILE A 41 -4.324 -9.746 5.529 1.00 0.00 C ATOM 405 CG2 ILE A 41 -2.835 -9.085 7.474 1.00 0.00 C ATOM 406 CD1 ILE A 41 -5.512 -9.560 6.474 1.00 0.00 C ATOM 0 H ILE A 41 -2.449 -12.024 4.945 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.987 -9.257 4.675 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.162 -11.052 6.736 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.182 -8.843 4.936 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.534 -10.556 4.831 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.715 -9.094 8.118 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.961 -9.391 8.049 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.680 -8.079 7.085 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -6.408 -9.341 5.893 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.666 -10.473 7.048 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.309 -8.733 7.155 1.00 0.00 H new ATOM 417 N LYS A 42 0.177 -10.863 6.461 1.00 0.00 N ATOM 418 CA LYS A 42 1.451 -10.744 7.150 1.00 0.00 C ATOM 419 C LYS A 42 2.526 -10.304 6.154 1.00 0.00 C ATOM 420 O LYS A 42 3.306 -9.397 6.439 1.00 0.00 O ATOM 421 CB LYS A 42 1.788 -12.046 7.882 1.00 0.00 C ATOM 422 CG LYS A 42 1.573 -11.898 9.389 1.00 0.00 C ATOM 423 CD LYS A 42 0.860 -13.124 9.964 1.00 0.00 C ATOM 424 CE LYS A 42 1.716 -13.803 11.037 1.00 0.00 C ATOM 425 NZ LYS A 42 1.368 -15.237 11.146 1.00 0.00 N ATOM 0 H LYS A 42 -0.129 -11.821 6.291 1.00 0.00 H new ATOM 0 HA LYS A 42 1.396 -9.976 7.921 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.165 -12.854 7.500 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.824 -12.321 7.684 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.534 -11.765 9.886 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.984 -11.003 9.590 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.097 -12.825 10.392 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.644 -13.832 9.164 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.772 -13.697 10.789 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.563 -13.311 11.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.957 -15.683 11.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.365 -15.332 11.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.537 -15.706 10.233 1.00 0.00 H new ATOM 434 N THR A 43 2.530 -10.965 5.006 1.00 0.00 N ATOM 435 CA THR A 43 3.496 -10.652 3.966 1.00 0.00 C ATOM 436 C THR A 43 3.502 -9.149 3.678 1.00 0.00 C ATOM 437 O THR A 43 4.560 -8.556 3.481 1.00 0.00 O ATOM 438 CB THR A 43 3.164 -11.506 2.740 1.00 0.00 C ATOM 439 OG1 THR A 43 3.667 -12.796 3.069 1.00 0.00 O ATOM 440 CG2 THR A 43 3.968 -11.094 1.505 1.00 0.00 C ATOM 0 H THR A 43 1.880 -11.716 4.773 1.00 0.00 H new ATOM 0 HA THR A 43 4.511 -10.893 4.282 1.00 0.00 H new ATOM 0 HB THR A 43 2.099 -11.429 2.521 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.990 -13.474 2.861 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.695 -11.731 0.664 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.750 -10.055 1.259 1.00 0.00 H new ATOM 0 HG23 THR A 43 5.033 -11.202 1.711 1.00 0.00 H new ATOM 448 N VAL A 44 2.307 -8.578 3.662 1.00 0.00 N ATOM 449 CA VAL A 44 2.160 -7.156 3.402 1.00 0.00 C ATOM 450 C VAL A 44 2.836 -6.364 4.524 1.00 0.00 C ATOM 451 O VAL A 44 3.534 -5.386 4.262 1.00 0.00 O ATOM 452 CB VAL A 44 0.681 -6.805 3.229 1.00 0.00 C ATOM 453 CG1 VAL A 44 0.463 -5.293 3.309 1.00 0.00 C ATOM 454 CG2 VAL A 44 0.133 -7.370 1.918 1.00 0.00 C ATOM 0 H VAL A 44 1.431 -9.074 3.825 1.00 0.00 H new ATOM 0 HA VAL A 44 2.655 -6.885 2.469 1.00 0.00 H new ATOM 0 HB VAL A 44 0.129 -7.266 4.048 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.597 -5.071 3.183 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.797 -4.928 4.280 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.033 -4.801 2.521 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.920 -7.106 1.820 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.691 -6.952 1.080 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.237 -8.455 1.918 1.00 0.00 H new ATOM 464 N GLU A 45 2.606 -6.817 5.746 1.00 0.00 N ATOM 465 CA GLU A 45 3.184 -6.164 6.908 1.00 0.00 C ATOM 466 C GLU A 45 4.658 -5.839 6.656 1.00 0.00 C ATOM 467 O GLU A 45 5.122 -4.749 6.983 1.00 0.00 O ATOM 468 CB GLU A 45 3.019 -7.025 8.161 1.00 0.00 C ATOM 469 CG GLU A 45 3.323 -6.219 9.424 1.00 0.00 C ATOM 470 CD GLU A 45 4.110 -7.059 10.434 1.00 0.00 C ATOM 471 OE1 GLU A 45 3.783 -8.236 10.648 1.00 0.00 O ATOM 472 OE2 GLU A 45 5.090 -6.447 11.007 1.00 0.00 O ATOM 0 H GLU A 45 2.027 -7.629 5.958 1.00 0.00 H new ATOM 0 HA GLU A 45 2.650 -5.229 7.078 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.001 -7.412 8.209 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.685 -7.886 8.105 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.894 -5.328 9.163 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.391 -5.879 9.876 1.00 0.00 H new ATOM 478 N THR A 46 5.354 -6.808 6.076 1.00 0.00 N ATOM 479 CA THR A 46 6.765 -6.639 5.777 1.00 0.00 C ATOM 480 C THR A 46 6.952 -5.629 4.643 1.00 0.00 C ATOM 481 O THR A 46 7.926 -4.877 4.632 1.00 0.00 O ATOM 482 CB THR A 46 7.350 -8.018 5.465 1.00 0.00 C ATOM 483 OG1 THR A 46 7.462 -8.643 6.741 1.00 0.00 O ATOM 484 CG2 THR A 46 8.792 -7.943 4.960 1.00 0.00 C ATOM 0 H THR A 46 4.966 -7.712 5.806 1.00 0.00 H new ATOM 0 HA THR A 46 7.304 -6.226 6.630 1.00 0.00 H new ATOM 0 HB THR A 46 6.730 -8.515 4.719 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.832 -9.544 6.633 1.00 0.00 H new ATOM 0 HG21 THR A 46 9.158 -8.949 4.754 1.00 0.00 H new ATOM 0 HG22 THR A 46 8.827 -7.350 4.046 1.00 0.00 H new ATOM 0 HG23 THR A 46 9.420 -7.477 5.720 1.00 0.00 H new ATOM 492 N HIS A 47 6.005 -5.645 3.717 1.00 0.00 N ATOM 493 CA HIS A 47 6.055 -4.741 2.581 1.00 0.00 C ATOM 494 C HIS A 47 5.728 -3.319 3.043 1.00 0.00 C ATOM 495 O HIS A 47 6.244 -2.348 2.493 1.00 0.00 O ATOM 496 CB HIS A 47 5.135 -5.227 1.458 1.00 0.00 C ATOM 497 CG HIS A 47 5.606 -6.495 0.785 1.00 0.00 C ATOM 498 ND1 HIS A 47 4.747 -7.349 0.115 1.00 0.00 N ATOM 499 CD2 HIS A 47 6.850 -7.042 0.687 1.00 0.00 C ATOM 500 CE1 HIS A 47 5.455 -8.362 -0.361 1.00 0.00 C ATOM 501 NE2 HIS A 47 6.758 -8.170 -0.006 1.00 0.00 N ATOM 0 H HIS A 47 5.199 -6.270 3.730 1.00 0.00 H new ATOM 0 HA HIS A 47 7.063 -4.728 2.165 1.00 0.00 H new ATOM 0 HB2 HIS A 47 4.138 -5.393 1.865 1.00 0.00 H new ATOM 0 HB3 HIS A 47 5.047 -4.441 0.708 1.00 0.00 H new ATOM 0 HD2 HIS A 47 7.757 -6.628 1.103 1.00 0.00 H new ATOM 0 HE1 HIS A 47 5.068 -9.194 -0.930 1.00 0.00 H new ATOM 0 HE2 HIS A 47 7.534 -8.791 -0.235 1.00 0.00 H new ATOM 508 N ARG A 48 4.867 -3.243 4.049 1.00 0.00 N ATOM 509 CA ARG A 48 4.464 -1.956 4.590 1.00 0.00 C ATOM 510 C ARG A 48 5.688 -1.171 5.064 1.00 0.00 C ATOM 511 O ARG A 48 5.890 -0.026 4.664 1.00 0.00 O ATOM 512 CB ARG A 48 3.494 -2.131 5.762 1.00 0.00 C ATOM 513 CG ARG A 48 2.160 -2.707 5.288 1.00 0.00 C ATOM 514 CD ARG A 48 1.088 -2.573 6.371 1.00 0.00 C ATOM 515 NE ARG A 48 1.658 -2.924 7.692 1.00 0.00 N ATOM 516 CZ ARG A 48 1.070 -2.634 8.872 1.00 0.00 C ATOM 517 NH1 ARG A 48 -0.113 -1.984 8.906 1.00 0.00 N ATOM 518 NH2 ARG A 48 1.669 -2.995 9.991 1.00 0.00 N ATOM 0 H ARG A 48 4.439 -4.050 4.502 1.00 0.00 H new ATOM 0 HA ARG A 48 3.961 -1.405 3.795 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.935 -2.792 6.508 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.327 -1.169 6.247 1.00 0.00 H new ATOM 0 HG2 ARG A 48 1.837 -2.189 4.385 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.286 -3.757 5.025 1.00 0.00 H new ATOM 0 HD2 ARG A 48 0.704 -1.553 6.390 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.246 -3.226 6.144 1.00 0.00 H new ATOM 0 HE ARG A 48 2.551 -3.416 7.711 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -0.569 -1.709 8.036 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.551 -1.769 9.802 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.563 -3.485 9.956 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.238 -2.784 10.891 1.00 0.00 H new ATOM 528 N MET A 49 6.477 -1.819 5.909 1.00 0.00 N ATOM 529 CA MET A 49 7.677 -1.197 6.441 1.00 0.00 C ATOM 530 C MET A 49 8.644 -0.822 5.318 1.00 0.00 C ATOM 531 O MET A 49 9.339 0.190 5.403 1.00 0.00 O ATOM 532 CB MET A 49 8.366 -2.161 7.407 1.00 0.00 C ATOM 533 CG MET A 49 7.868 -1.953 8.839 1.00 0.00 C ATOM 534 SD MET A 49 9.161 -1.235 9.838 1.00 0.00 S ATOM 535 CE MET A 49 9.087 0.456 9.273 1.00 0.00 C ATOM 0 H MET A 49 6.308 -2.769 6.238 1.00 0.00 H new ATOM 0 HA MET A 49 7.389 -0.286 6.966 1.00 0.00 H new ATOM 0 HB2 MET A 49 8.176 -3.189 7.098 1.00 0.00 H new ATOM 0 HB3 MET A 49 9.445 -2.011 7.368 1.00 0.00 H new ATOM 0 HG2 MET A 49 6.994 -1.301 8.838 1.00 0.00 H new ATOM 0 HG3 MET A 49 7.554 -2.906 9.266 1.00 0.00 H new ATOM 0 HE1 MET A 49 9.835 1.049 9.799 1.00 0.00 H new ATOM 0 HE2 MET A 49 9.285 0.491 8.202 1.00 0.00 H new ATOM 0 HE3 MET A 49 8.096 0.863 9.473 1.00 0.00 H new ATOM 543 N ASN A 50 8.659 -1.656 4.289 1.00 0.00 N ATOM 544 CA ASN A 50 9.529 -1.425 3.148 1.00 0.00 C ATOM 545 C ASN A 50 9.100 -0.139 2.438 1.00 0.00 C ATOM 546 O ASN A 50 9.935 0.712 2.131 1.00 0.00 O ATOM 547 CB ASN A 50 9.436 -2.573 2.142 1.00 0.00 C ATOM 548 CG ASN A 50 10.522 -3.621 2.405 1.00 0.00 C ATOM 549 OD1 ASN A 50 11.528 -3.587 1.537 1.00 0.00 O flip ATOM 550 ND2 ASN A 50 10.448 -4.408 3.335 1.00 0.00 N flip ATOM 0 H ASN A 50 8.082 -2.494 4.221 1.00 0.00 H new ATOM 0 HA ASN A 50 10.553 -1.350 3.515 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.453 -3.039 2.206 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.539 -2.183 1.129 1.00 0.00 H new ATOM 0 HD21 ASN A 50 9.646 -4.379 3.965 1.00 0.00 H new ATOM 0 HD22 ASN A 50 11.188 -5.095 3.482 1.00 0.00 H new ATOM 556 N MET A 51 7.802 -0.038 2.197 1.00 0.00 N ATOM 557 CA MET A 51 7.253 1.129 1.529 1.00 0.00 C ATOM 558 C MET A 51 7.559 2.406 2.314 1.00 0.00 C ATOM 559 O MET A 51 7.972 3.410 1.739 1.00 0.00 O ATOM 560 CB MET A 51 5.738 0.970 1.385 1.00 0.00 C ATOM 561 CG MET A 51 5.396 -0.220 0.486 1.00 0.00 C ATOM 562 SD MET A 51 4.063 -1.164 1.207 1.00 0.00 S ATOM 563 CE MET A 51 2.664 -0.346 0.458 1.00 0.00 C ATOM 0 H MET A 51 7.114 -0.746 2.453 1.00 0.00 H new ATOM 0 HA MET A 51 7.714 1.210 0.545 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.288 0.829 2.368 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.311 1.881 0.967 1.00 0.00 H new ATOM 0 HG2 MET A 51 5.109 0.132 -0.505 1.00 0.00 H new ATOM 0 HG3 MET A 51 6.274 -0.854 0.357 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.166 0.277 1.201 1.00 0.00 H new ATOM 0 HE2 MET A 51 3.006 0.277 -0.368 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.964 -1.093 0.083 1.00 0.00 H new ATOM 571 N MET A 52 7.345 2.325 3.620 1.00 0.00 N ATOM 572 CA MET A 52 7.593 3.460 4.491 1.00 0.00 C ATOM 573 C MET A 52 9.084 3.796 4.544 1.00 0.00 C ATOM 574 O MET A 52 9.465 4.886 4.969 1.00 0.00 O ATOM 575 CB MET A 52 7.091 3.143 5.901 1.00 0.00 C ATOM 576 CG MET A 52 5.585 2.874 5.898 1.00 0.00 C ATOM 577 SD MET A 52 4.717 4.266 5.192 1.00 0.00 S ATOM 578 CE MET A 52 4.525 3.691 3.513 1.00 0.00 C ATOM 0 H MET A 52 7.002 1.490 4.095 1.00 0.00 H new ATOM 0 HA MET A 52 7.059 4.322 4.091 1.00 0.00 H new ATOM 0 HB2 MET A 52 7.619 2.273 6.292 1.00 0.00 H new ATOM 0 HB3 MET A 52 7.314 3.977 6.567 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.370 1.972 5.325 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.237 2.696 6.916 1.00 0.00 H new ATOM 0 HE1 MET A 52 5.251 4.191 2.872 1.00 0.00 H new ATOM 0 HE2 MET A 52 4.690 2.614 3.476 1.00 0.00 H new ATOM 0 HE3 MET A 52 3.517 3.916 3.164 1.00 0.00 H new ATOM 586 N ARG A 53 9.889 2.840 4.104 1.00 0.00 N ATOM 587 CA ARG A 53 11.331 3.020 4.096 1.00 0.00 C ATOM 588 C ARG A 53 11.784 3.612 2.761 1.00 0.00 C ATOM 589 O ARG A 53 12.603 4.530 2.729 1.00 0.00 O ATOM 590 CB ARG A 53 12.054 1.692 4.329 1.00 0.00 C ATOM 591 CG ARG A 53 13.151 1.841 5.384 1.00 0.00 C ATOM 592 CD ARG A 53 12.707 1.249 6.724 1.00 0.00 C ATOM 593 NE ARG A 53 13.393 -0.040 6.961 1.00 0.00 N ATOM 594 CZ ARG A 53 13.471 -0.647 8.163 1.00 0.00 C ATOM 595 NH1 ARG A 53 12.904 -0.085 9.252 1.00 0.00 N ATOM 596 NH2 ARG A 53 14.110 -1.798 8.261 1.00 0.00 N ATOM 0 H ARG A 53 9.570 1.938 3.750 1.00 0.00 H new ATOM 0 HA ARG A 53 11.584 3.705 4.906 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.338 0.935 4.649 1.00 0.00 H new ATOM 0 HB3 ARG A 53 12.490 1.342 3.393 1.00 0.00 H new ATOM 0 HG2 ARG A 53 14.058 1.341 5.044 1.00 0.00 H new ATOM 0 HG3 ARG A 53 13.397 2.895 5.512 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.934 1.945 7.531 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.627 1.101 6.725 1.00 0.00 H new ATOM 0 HE ARG A 53 13.835 -0.499 6.165 1.00 0.00 H new ATOM 0 HH11 ARG A 53 12.412 0.805 9.169 1.00 0.00 H new ATOM 0 HH12 ARG A 53 12.967 -0.550 10.157 1.00 0.00 H new ATOM 0 HH21 ARG A 53 14.537 -2.217 7.434 1.00 0.00 H new ATOM 0 HH22 ARG A 53 14.177 -2.269 9.163 1.00 0.00 H new ATOM 606 N LYS A 54 11.232 3.063 1.688 1.00 0.00 N ATOM 607 CA LYS A 54 11.570 3.526 0.352 1.00 0.00 C ATOM 608 C LYS A 54 10.946 4.904 0.122 1.00 0.00 C ATOM 609 O LYS A 54 11.649 5.860 -0.201 1.00 0.00 O ATOM 610 CB LYS A 54 11.163 2.486 -0.693 1.00 0.00 C ATOM 611 CG LYS A 54 12.246 1.417 -0.852 1.00 0.00 C ATOM 612 CD LYS A 54 13.541 2.024 -1.394 1.00 0.00 C ATOM 613 CE LYS A 54 14.194 1.097 -2.421 1.00 0.00 C ATOM 614 NZ LYS A 54 13.797 1.483 -3.794 1.00 0.00 N ATOM 0 H LYS A 54 10.553 2.302 1.717 1.00 0.00 H new ATOM 0 HA LYS A 54 12.649 3.642 0.250 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.224 2.017 -0.398 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.987 2.976 -1.650 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.438 0.943 0.110 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.895 0.637 -1.528 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.330 2.990 -1.853 1.00 0.00 H new ATOM 0 HD3 LYS A 54 14.233 2.207 -0.572 1.00 0.00 H new ATOM 0 HE2 LYS A 54 15.279 1.143 -2.323 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.900 0.065 -2.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 14.249 0.844 -4.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.763 1.416 -3.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 14.099 2.460 -3.981 1.00 0.00 H new ATOM 623 N LEU A 55 9.635 4.963 0.299 1.00 0.00 N ATOM 624 CA LEU A 55 8.909 6.208 0.114 1.00 0.00 C ATOM 625 C LEU A 55 9.274 7.177 1.242 1.00 0.00 C ATOM 626 O LEU A 55 9.097 8.386 1.106 1.00 0.00 O ATOM 627 CB LEU A 55 7.408 5.941 -0.005 1.00 0.00 C ATOM 628 CG LEU A 55 6.994 4.883 -1.031 1.00 0.00 C ATOM 629 CD1 LEU A 55 6.357 3.674 -0.344 1.00 0.00 C ATOM 630 CD2 LEU A 55 6.078 5.484 -2.100 1.00 0.00 C ATOM 0 H LEU A 55 9.056 4.168 0.569 1.00 0.00 H new ATOM 0 HA LEU A 55 9.199 6.683 -0.823 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.035 5.636 0.973 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.911 6.878 -0.258 1.00 0.00 H new ATOM 0 HG LEU A 55 7.891 4.529 -1.539 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.072 2.937 -1.095 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.073 3.229 0.347 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.472 3.993 0.206 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.799 4.711 -2.816 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.180 5.882 -1.628 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.602 6.287 -2.619 1.00 0.00 H new ATOM 641 N GLN A 56 9.776 6.609 2.328 1.00 0.00 N ATOM 642 CA GLN A 56 10.165 7.406 3.478 1.00 0.00 C ATOM 643 C GLN A 56 8.991 8.263 3.953 1.00 0.00 C ATOM 644 O GLN A 56 9.184 9.390 4.410 1.00 0.00 O ATOM 645 CB GLN A 56 11.382 8.276 3.154 1.00 0.00 C ATOM 646 CG GLN A 56 12.683 7.558 3.522 1.00 0.00 C ATOM 647 CD GLN A 56 13.644 8.503 4.247 1.00 0.00 C ATOM 648 OE1 GLN A 56 13.291 9.179 5.200 1.00 0.00 O ATOM 649 NE2 GLN A 56 14.875 8.514 3.743 1.00 0.00 N ATOM 0 H GLN A 56 9.922 5.605 2.436 1.00 0.00 H new ATOM 0 HA GLN A 56 10.445 6.730 4.286 1.00 0.00 H new ATOM 0 HB2 GLN A 56 11.386 8.521 2.092 1.00 0.00 H new ATOM 0 HB3 GLN A 56 11.316 9.218 3.699 1.00 0.00 H new ATOM 0 HG2 GLN A 56 12.462 6.700 4.157 1.00 0.00 H new ATOM 0 HG3 GLN A 56 13.158 7.173 2.620 1.00 0.00 H new ATOM 0 HE21 GLN A 56 15.104 7.923 2.944 1.00 0.00 H new ATOM 0 HE22 GLN A 56 15.590 9.113 4.156 1.00 0.00 H new ATOM 656 N VAL A 57 7.799 7.698 3.828 1.00 0.00 N ATOM 657 CA VAL A 57 6.593 8.397 4.239 1.00 0.00 C ATOM 658 C VAL A 57 6.257 8.018 5.684 1.00 0.00 C ATOM 659 O VAL A 57 7.120 7.549 6.423 1.00 0.00 O ATOM 660 CB VAL A 57 5.455 8.095 3.262 1.00 0.00 C ATOM 661 CG1 VAL A 57 5.863 8.430 1.826 1.00 0.00 C ATOM 662 CG2 VAL A 57 5.004 6.638 3.377 1.00 0.00 C ATOM 0 H VAL A 57 7.643 6.764 3.448 1.00 0.00 H new ATOM 0 HA VAL A 57 6.748 9.476 4.213 1.00 0.00 H new ATOM 0 HB VAL A 57 4.609 8.729 3.528 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.037 8.206 1.151 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.112 9.489 1.756 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.732 7.834 1.546 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.194 6.451 2.672 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.842 5.979 3.151 1.00 0.00 H new ATOM 0 HG23 VAL A 57 4.654 6.445 4.391 1.00 0.00 H new ATOM 672 N HIS A 58 5.000 8.236 6.041 1.00 0.00 N ATOM 673 CA HIS A 58 4.539 7.924 7.383 1.00 0.00 C ATOM 674 C HIS A 58 4.138 6.449 7.457 1.00 0.00 C ATOM 675 O HIS A 58 4.944 5.602 7.838 1.00 0.00 O ATOM 676 CB HIS A 58 3.409 8.865 7.802 1.00 0.00 C ATOM 677 CG HIS A 58 3.779 9.805 8.926 1.00 0.00 C ATOM 678 ND1 HIS A 58 4.054 11.147 8.722 1.00 0.00 N ATOM 679 CD2 HIS A 58 3.915 9.585 10.264 1.00 0.00 C ATOM 680 CE1 HIS A 58 4.343 11.697 9.892 1.00 0.00 C ATOM 681 NE2 HIS A 58 4.256 10.728 10.847 1.00 0.00 N ATOM 0 H HIS A 58 4.287 8.625 5.424 1.00 0.00 H new ATOM 0 HA HIS A 58 5.349 8.082 8.095 1.00 0.00 H new ATOM 0 HB2 HIS A 58 3.099 9.452 6.938 1.00 0.00 H new ATOM 0 HB3 HIS A 58 2.549 8.270 8.108 1.00 0.00 H new ATOM 0 HD2 HIS A 58 3.770 8.640 10.766 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.602 12.732 10.060 1.00 0.00 H new ATOM 0 HE2 HIS A 58 4.425 10.859 11.844 1.00 0.00 H new ATOM 688 N LYS A 59 2.893 6.188 7.088 1.00 0.00 N ATOM 689 CA LYS A 59 2.375 4.830 7.108 1.00 0.00 C ATOM 690 C LYS A 59 1.786 4.492 5.738 1.00 0.00 C ATOM 691 O LYS A 59 1.933 5.263 4.789 1.00 0.00 O ATOM 692 CB LYS A 59 1.388 4.650 8.263 1.00 0.00 C ATOM 693 CG LYS A 59 1.453 3.228 8.824 1.00 0.00 C ATOM 694 CD LYS A 59 1.250 3.227 10.340 1.00 0.00 C ATOM 695 CE LYS A 59 2.144 2.183 11.013 1.00 0.00 C ATOM 696 NZ LYS A 59 3.186 2.842 11.831 1.00 0.00 N ATOM 0 H LYS A 59 2.227 6.894 6.773 1.00 0.00 H new ATOM 0 HA LYS A 59 3.180 4.119 7.293 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.613 5.367 9.053 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.376 4.863 7.918 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.689 2.611 8.351 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.418 2.782 8.582 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.474 4.215 10.741 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.205 3.019 10.570 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.540 1.529 11.642 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.612 1.554 10.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.783 2.119 12.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.773 3.448 11.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.735 3.423 12.566 1.00 0.00 H new ATOM 705 N VAL A 60 1.132 3.341 5.677 1.00 0.00 N ATOM 706 CA VAL A 60 0.521 2.893 4.438 1.00 0.00 C ATOM 707 C VAL A 60 -0.556 3.894 4.014 1.00 0.00 C ATOM 708 O VAL A 60 -0.707 4.184 2.827 1.00 0.00 O ATOM 709 CB VAL A 60 -0.018 1.471 4.605 1.00 0.00 C ATOM 710 CG1 VAL A 60 -0.484 0.899 3.264 1.00 0.00 C ATOM 711 CG2 VAL A 60 1.026 0.562 5.255 1.00 0.00 C ATOM 0 H VAL A 60 1.012 2.706 6.466 1.00 0.00 H new ATOM 0 HA VAL A 60 1.262 2.854 3.639 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.882 1.517 5.268 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.862 -0.113 3.412 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.276 1.527 2.856 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.354 0.875 2.568 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.617 -0.443 5.362 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.918 0.526 4.629 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.288 0.954 6.238 1.00 0.00 H new ATOM 721 N THR A 61 -1.277 4.395 5.006 1.00 0.00 N ATOM 722 CA THR A 61 -2.336 5.357 4.751 1.00 0.00 C ATOM 723 C THR A 61 -1.782 6.572 4.006 1.00 0.00 C ATOM 724 O THR A 61 -2.262 6.915 2.926 1.00 0.00 O ATOM 725 CB THR A 61 -2.986 5.711 6.091 1.00 0.00 C ATOM 726 OG1 THR A 61 -3.700 4.531 6.451 1.00 0.00 O ATOM 727 CG2 THR A 61 -4.074 6.776 5.949 1.00 0.00 C ATOM 0 H THR A 61 -1.149 4.153 5.988 1.00 0.00 H new ATOM 0 HA THR A 61 -3.104 4.938 4.101 1.00 0.00 H new ATOM 0 HB THR A 61 -2.222 6.062 6.785 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.151 4.671 7.310 1.00 0.00 H new ATOM 0 HG21 THR A 61 -4.503 6.991 6.928 1.00 0.00 H new ATOM 0 HG22 THR A 61 -3.640 7.686 5.535 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.856 6.411 5.283 1.00 0.00 H new ATOM 735 N GLU A 62 -0.780 7.194 4.612 1.00 0.00 N ATOM 736 CA GLU A 62 -0.156 8.364 4.018 1.00 0.00 C ATOM 737 C GLU A 62 0.396 8.026 2.631 1.00 0.00 C ATOM 738 O GLU A 62 0.453 8.886 1.756 1.00 0.00 O ATOM 739 CB GLU A 62 0.943 8.919 4.926 1.00 0.00 C ATOM 740 CG GLU A 62 1.097 10.430 4.740 1.00 0.00 C ATOM 741 CD GLU A 62 2.359 10.758 3.939 1.00 0.00 C ATOM 742 OE1 GLU A 62 3.461 10.793 4.506 1.00 0.00 O ATOM 743 OE2 GLU A 62 2.165 10.980 2.684 1.00 0.00 O ATOM 0 H GLU A 62 -0.385 6.909 5.508 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.915 9.139 3.906 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.705 8.700 5.967 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.888 8.423 4.704 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.222 10.828 4.226 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.143 10.917 5.714 1.00 0.00 H new ATOM 749 N LEU A 63 0.790 6.770 2.477 1.00 0.00 N ATOM 750 CA LEU A 63 1.336 6.307 1.213 1.00 0.00 C ATOM 751 C LEU A 63 0.211 6.219 0.178 1.00 0.00 C ATOM 752 O LEU A 63 0.378 6.651 -0.962 1.00 0.00 O ATOM 753 CB LEU A 63 2.096 4.995 1.405 1.00 0.00 C ATOM 754 CG LEU A 63 2.413 4.209 0.132 1.00 0.00 C ATOM 755 CD1 LEU A 63 3.181 5.072 -0.870 1.00 0.00 C ATOM 756 CD2 LEU A 63 3.156 2.911 0.457 1.00 0.00 C ATOM 0 H LEU A 63 0.742 6.059 3.207 1.00 0.00 H new ATOM 0 HA LEU A 63 2.068 7.019 0.832 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.034 5.213 1.916 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.513 4.355 2.068 1.00 0.00 H new ATOM 0 HG LEU A 63 1.470 3.931 -0.339 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.393 4.488 -1.766 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.580 5.941 -1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.118 5.403 -0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.369 2.372 -0.466 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.092 3.145 0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.537 2.290 1.105 1.00 0.00 H new ATOM 767 N LEU A 64 -0.907 5.658 0.612 1.00 0.00 N ATOM 768 CA LEU A 64 -2.058 5.508 -0.261 1.00 0.00 C ATOM 769 C LEU A 64 -2.341 6.841 -0.957 1.00 0.00 C ATOM 770 O LEU A 64 -2.716 6.866 -2.129 1.00 0.00 O ATOM 771 CB LEU A 64 -3.254 4.956 0.517 1.00 0.00 C ATOM 772 CG LEU A 64 -3.417 3.435 0.504 1.00 0.00 C ATOM 773 CD1 LEU A 64 -2.340 2.760 1.356 1.00 0.00 C ATOM 774 CD2 LEU A 64 -4.828 3.031 0.936 1.00 0.00 C ATOM 0 H LEU A 64 -1.041 5.301 1.558 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.850 4.776 -1.042 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.171 5.284 1.553 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.163 5.403 0.113 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.282 3.086 -0.520 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.479 1.679 1.329 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.355 3.009 0.961 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.418 3.110 2.385 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.917 1.945 0.918 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.017 3.394 1.946 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.557 3.466 0.252 1.00 0.00 H new ATOM 785 N ASN A 65 -2.150 7.918 -0.207 1.00 0.00 N ATOM 786 CA ASN A 65 -2.380 9.250 -0.738 1.00 0.00 C ATOM 787 C ASN A 65 -1.257 9.606 -1.715 1.00 0.00 C ATOM 788 O ASN A 65 -1.478 10.337 -2.679 1.00 0.00 O ATOM 789 CB ASN A 65 -2.382 10.296 0.380 1.00 0.00 C ATOM 790 CG ASN A 65 -3.765 10.402 1.026 1.00 0.00 C ATOM 791 OD1 ASN A 65 -4.400 9.416 1.360 1.00 0.00 O ATOM 792 ND2 ASN A 65 -4.193 11.651 1.186 1.00 0.00 N ATOM 0 H ASN A 65 -1.839 7.894 0.764 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.350 9.252 -1.236 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.643 10.028 1.135 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.089 11.265 -0.023 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -5.103 11.828 1.611 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.611 12.432 0.884 1.00 0.00 H new ATOM 798 N CYS A 66 -0.078 9.073 -1.431 1.00 0.00 N ATOM 799 CA CYS A 66 1.079 9.325 -2.273 1.00 0.00 C ATOM 800 C CYS A 66 0.750 8.864 -3.694 1.00 0.00 C ATOM 801 O CYS A 66 0.852 9.641 -4.641 1.00 0.00 O ATOM 802 CB CYS A 66 2.334 8.642 -1.729 1.00 0.00 C ATOM 803 SG CYS A 66 3.578 9.899 -1.260 1.00 0.00 S ATOM 0 H CYS A 66 0.101 8.468 -0.630 1.00 0.00 H new ATOM 0 HA CYS A 66 1.300 10.392 -2.280 1.00 0.00 H new ATOM 0 HB2 CYS A 66 2.079 8.030 -0.864 1.00 0.00 H new ATOM 0 HB3 CYS A 66 2.748 7.972 -2.482 1.00 0.00 H new ATOM 0 HG CYS A 66 4.639 9.308 -0.797 1.00 0.00 H new ATOM 808 N ALA A 67 0.360 7.602 -3.796 1.00 0.00 N ATOM 809 CA ALA A 67 0.014 7.028 -5.087 1.00 0.00 C ATOM 810 C ALA A 67 -1.106 7.853 -5.723 1.00 0.00 C ATOM 811 O ALA A 67 -1.117 8.060 -6.935 1.00 0.00 O ATOM 812 CB ALA A 67 -0.375 5.558 -4.904 1.00 0.00 C ATOM 0 H ALA A 67 0.276 6.961 -3.007 1.00 0.00 H new ATOM 0 HA ALA A 67 0.869 7.057 -5.762 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.634 5.127 -5.871 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.464 5.010 -4.476 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.232 5.489 -4.234 1.00 0.00 H new ATOM 818 N ARG A 68 -2.022 8.301 -4.876 1.00 0.00 N ATOM 819 CA ARG A 68 -3.144 9.098 -5.342 1.00 0.00 C ATOM 820 C ARG A 68 -2.642 10.371 -6.029 1.00 0.00 C ATOM 821 O ARG A 68 -3.067 10.690 -7.138 1.00 0.00 O ATOM 822 CB ARG A 68 -4.065 9.483 -4.183 1.00 0.00 C ATOM 823 CG ARG A 68 -5.388 10.050 -4.699 1.00 0.00 C ATOM 824 CD ARG A 68 -6.490 9.915 -3.647 1.00 0.00 C ATOM 825 NE ARG A 68 -7.773 10.415 -4.191 1.00 0.00 N ATOM 826 CZ ARG A 68 -8.652 9.654 -4.877 1.00 0.00 C ATOM 827 NH1 ARG A 68 -8.393 8.350 -5.110 1.00 0.00 N ATOM 828 NH2 ARG A 68 -9.767 10.204 -5.317 1.00 0.00 N ATOM 0 H ARG A 68 -2.010 8.127 -3.871 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.707 8.494 -6.054 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.258 8.609 -3.561 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -3.571 10.221 -3.551 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.259 11.100 -4.963 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.682 9.526 -5.608 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.594 8.872 -3.349 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.221 10.477 -2.752 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.007 11.396 -4.038 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.528 7.933 -4.767 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.062 7.782 -5.629 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.955 11.190 -5.137 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.442 9.643 -5.837 1.00 0.00 H new ATOM 838 N ARG A 69 -1.745 11.062 -5.340 1.00 0.00 N ATOM 839 CA ARG A 69 -1.181 12.292 -5.869 1.00 0.00 C ATOM 840 C ARG A 69 -2.276 13.348 -6.039 1.00 0.00 C ATOM 841 O ARG A 69 -2.309 14.057 -7.043 1.00 0.00 O ATOM 842 CB ARG A 69 -0.502 12.050 -7.217 1.00 0.00 C ATOM 843 CG ARG A 69 0.972 12.458 -7.170 1.00 0.00 C ATOM 844 CD ARG A 69 1.811 11.595 -8.115 1.00 0.00 C ATOM 845 NE ARG A 69 3.250 11.874 -7.913 1.00 0.00 N ATOM 846 CZ ARG A 69 4.244 11.055 -8.317 1.00 0.00 C ATOM 847 NH1 ARG A 69 3.962 9.896 -8.947 1.00 0.00 N ATOM 848 NH2 ARG A 69 5.495 11.405 -8.083 1.00 0.00 N ATOM 0 H ARG A 69 -1.395 10.793 -4.420 1.00 0.00 H new ATOM 0 HA ARG A 69 -0.435 12.648 -5.158 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.583 10.997 -7.485 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -1.015 12.617 -7.994 1.00 0.00 H new ATOM 0 HG2 ARG A 69 1.071 13.508 -7.446 1.00 0.00 H new ATOM 0 HG3 ARG A 69 1.348 12.359 -6.152 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.608 10.540 -7.933 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.534 11.799 -9.149 1.00 0.00 H new ATOM 0 HE ARG A 69 3.507 12.740 -7.439 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.992 9.633 -9.121 1.00 0.00 H new ATOM 0 HH12 ARG A 69 4.719 9.283 -9.249 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.698 12.282 -7.604 1.00 0.00 H new ATOM 0 HH22 ARG A 69 6.259 10.798 -8.381 1.00 0.00 H new ATOM 858 N MET A 70 -3.144 13.420 -5.040 1.00 0.00 N ATOM 859 CA MET A 70 -4.237 14.377 -5.065 1.00 0.00 C ATOM 860 C MET A 70 -4.744 14.667 -3.651 1.00 0.00 C ATOM 861 O MET A 70 -4.998 15.820 -3.305 1.00 0.00 O ATOM 862 CB MET A 70 -5.383 13.821 -5.916 1.00 0.00 C ATOM 863 CG MET A 70 -5.503 14.582 -7.237 1.00 0.00 C ATOM 864 SD MET A 70 -7.142 14.371 -7.915 1.00 0.00 S ATOM 865 CE MET A 70 -6.774 13.273 -9.274 1.00 0.00 C ATOM 0 H MET A 70 -3.112 12.831 -4.208 1.00 0.00 H new ATOM 0 HA MET A 70 -3.871 15.308 -5.497 1.00 0.00 H new ATOM 0 HB2 MET A 70 -5.212 12.763 -6.116 1.00 0.00 H new ATOM 0 HB3 MET A 70 -6.320 13.894 -5.364 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.300 15.641 -7.076 1.00 0.00 H new ATOM 0 HG3 MET A 70 -4.758 14.219 -7.945 1.00 0.00 H new ATOM 0 HE1 MET A 70 -7.693 13.037 -9.810 1.00 0.00 H new ATOM 0 HE2 MET A 70 -6.072 13.757 -9.953 1.00 0.00 H new ATOM 0 HE3 MET A 70 -6.332 12.354 -8.890 1.00 0.00 H new ATOM 873 N ARG A 71 -4.878 13.602 -2.875 1.00 0.00 N ATOM 874 CA ARG A 71 -5.350 13.730 -1.507 1.00 0.00 C ATOM 875 C ARG A 71 -6.831 14.112 -1.489 1.00 0.00 C ATOM 876 O ARG A 71 -7.213 15.107 -0.875 1.00 0.00 O ATOM 877 CB ARG A 71 -4.550 14.786 -0.743 1.00 0.00 C ATOM 878 CG ARG A 71 -3.045 14.553 -0.898 1.00 0.00 C ATOM 879 CD ARG A 71 -2.253 15.794 -0.486 1.00 0.00 C ATOM 880 NE ARG A 71 -1.820 15.673 0.926 1.00 0.00 N ATOM 881 CZ ARG A 71 -1.160 16.639 1.600 1.00 0.00 C ATOM 882 NH1 ARG A 71 -0.849 17.805 0.997 1.00 0.00 N ATOM 883 NH2 ARG A 71 -0.823 16.422 2.858 1.00 0.00 N ATOM 0 H ARG A 71 -4.668 12.647 -3.167 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.214 12.765 -1.020 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.808 15.779 -1.111 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -4.819 14.758 0.313 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.740 13.703 -0.287 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.817 14.299 -1.933 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.384 15.912 -1.133 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -2.867 16.686 -0.612 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.034 14.806 1.419 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.113 17.962 0.024 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.350 18.529 1.514 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.062 15.536 3.304 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.324 17.140 3.383 1.00 0.00 H new ATOM 893 N LEU A 72 -7.627 13.301 -2.173 1.00 0.00 N ATOM 894 CA LEU A 72 -9.058 13.542 -2.244 1.00 0.00 C ATOM 895 C LEU A 72 -9.788 12.513 -1.377 1.00 0.00 C ATOM 896 O LEU A 72 -10.587 12.879 -0.516 1.00 0.00 O ATOM 897 CB LEU A 72 -9.526 13.561 -3.701 1.00 0.00 C ATOM 898 CG LEU A 72 -10.178 14.859 -4.179 1.00 0.00 C ATOM 899 CD1 LEU A 72 -9.646 15.265 -5.555 1.00 0.00 C ATOM 900 CD2 LEU A 72 -11.704 14.746 -4.164 1.00 0.00 C ATOM 0 H LEU A 72 -7.307 12.477 -2.682 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.299 14.526 -1.843 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.668 13.352 -4.340 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.236 12.747 -3.844 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.909 15.653 -3.482 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.126 16.191 -5.872 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.568 15.416 -5.498 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.865 14.478 -6.276 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.142 15.683 -4.508 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.015 13.936 -4.824 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -12.044 14.538 -3.149 1.00 0.00 H new ATOM 911 N ILE A 73 -9.487 11.249 -1.635 1.00 0.00 N ATOM 912 CA ILE A 73 -10.104 10.166 -0.889 1.00 0.00 C ATOM 913 C ILE A 73 -11.598 10.113 -1.216 1.00 0.00 C ATOM 914 O ILE A 73 -12.436 10.189 -0.320 1.00 0.00 O ATOM 915 CB ILE A 73 -9.806 10.308 0.606 1.00 0.00 C ATOM 916 CG1 ILE A 73 -8.300 10.339 0.864 1.00 0.00 C ATOM 917 CG2 ILE A 73 -10.503 9.207 1.409 1.00 0.00 C ATOM 918 CD1 ILE A 73 -7.609 9.128 0.232 1.00 0.00 C ATOM 0 H ILE A 73 -8.824 10.951 -2.350 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.678 9.208 -1.186 1.00 0.00 H new ATOM 0 HB ILE A 73 -10.210 11.261 0.947 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.877 11.257 0.457 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.112 10.350 1.938 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -10.276 9.330 2.468 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -11.581 9.274 1.259 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -10.150 8.232 1.073 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.538 9.175 0.431 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.017 8.212 0.659 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.779 9.133 -0.845 1.00 0.00 H new ATOM 929 N GLU A 74 -11.885 9.985 -2.504 1.00 0.00 N ATOM 930 CA GLU A 74 -13.262 9.921 -2.961 1.00 0.00 C ATOM 931 C GLU A 74 -13.560 8.543 -3.556 1.00 0.00 C ATOM 932 O GLU A 74 -14.421 7.820 -3.055 1.00 0.00 O ATOM 933 CB GLU A 74 -13.557 11.030 -3.972 1.00 0.00 C ATOM 934 CG GLU A 74 -14.912 11.682 -3.694 1.00 0.00 C ATOM 935 CD GLU A 74 -14.772 13.197 -3.541 1.00 0.00 C ATOM 936 OE1 GLU A 74 -14.544 13.902 -4.535 1.00 0.00 O ATOM 937 OE2 GLU A 74 -14.908 13.637 -2.335 1.00 0.00 O ATOM 0 H GLU A 74 -11.187 9.924 -3.245 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.916 10.074 -2.103 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.771 11.784 -3.929 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -13.548 10.618 -4.981 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -15.601 11.458 -4.508 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -15.343 11.260 -2.786 1.00 0.00 H new ATOM 943 N TYR A 75 -12.832 8.221 -4.615 1.00 0.00 N ATOM 944 CA TYR A 75 -13.009 6.943 -5.283 1.00 0.00 C ATOM 945 C TYR A 75 -14.487 6.549 -5.334 1.00 0.00 C ATOM 946 O TYR A 75 -15.298 7.246 -5.942 1.00 0.00 O ATOM 947 CB TYR A 75 -12.250 5.917 -4.438 1.00 0.00 C ATOM 948 CG TYR A 75 -11.013 5.335 -5.127 1.00 0.00 C ATOM 949 CD1 TYR A 75 -11.146 4.656 -6.322 1.00 0.00 C ATOM 950 CD2 TYR A 75 -9.767 5.491 -4.557 1.00 0.00 C ATOM 951 CE1 TYR A 75 -9.982 4.108 -6.970 1.00 0.00 C ATOM 952 CE2 TYR A 75 -8.604 4.944 -5.204 1.00 0.00 C ATOM 953 CZ TYR A 75 -8.769 4.279 -6.380 1.00 0.00 C ATOM 954 OH TYR A 75 -7.670 3.762 -6.993 1.00 0.00 O ATOM 0 H TYR A 75 -12.119 8.823 -5.027 1.00 0.00 H new ATOM 0 HA TYR A 75 -12.644 6.993 -6.309 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -11.945 6.386 -3.503 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -12.927 5.102 -4.180 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -12.121 4.536 -6.770 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -9.664 6.025 -3.624 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -10.071 3.573 -7.904 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -7.623 5.058 -4.767 1.00 0.00 H new ATOM 0 HH TYR A 75 -6.862 4.155 -6.602 1.00 0.00 H new TER 963 TYR A 75