USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 782 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 91 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 96 THR OG1 : rot 180:sc= -0.0122 USER MOD Set 2.1: A 61 THR OG1 : rot -174:sc= -5.22! USER MOD Set 2.2: A 68 SER OG : rot 180:sc= -1.16! USER MOD Set 3.1: A 41 ASN : amide:sc= -0.479 K(o=-1.8,f=-3.4) USER MOD Set 3.2: A 43 THR OG1 : rot 112:sc= -1.32 USER MOD Set 4.1: A 35 TYR OH : rot -20:sc= -8.59! USER MOD Set 4.2: A 39 THR OG1 : rot 64:sc= -3.81! USER MOD Set 4.3: A 69 THR OG1 : rot 72:sc= 1.1 USER MOD Single : A 1 SER N :NH3+ -129:sc= 0.138 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= -3.06! USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -1.01 K(o=-1,f=-2.8!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 36:sc= 0.377 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -0.169 X(o=-0.17,f=-0.0065) USER MOD Single : A 25 THR OG1 : rot 94:sc= 0.0486 USER MOD Single : A 27 GLN : amide:sc=-0.00729 X(o=-0.0073,f=-0.012) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -110:sc= -2.29 USER MOD Single : A 49 GLN : amide:sc= -0.0357 X(o=-0.036,f=-0.4) USER MOD Single : A 51 MET CE :methyl -106:sc= -0.79 (180deg=-1.63!) USER MOD Single : A 56 SER OG : rot 167:sc= -3.58! USER MOD Single : A 57 THR OG1 : rot 180:sc= -1.72! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.0082 X(o=-0.0082,f=-0.039) USER MOD Single : A 70 GLN : amide:sc= -0.0117 X(o=-0.012,f=0) USER MOD Single : A 71 SER OG : rot -162:sc= -0.864 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -9.27! C(o=-9.3!,f=-4.2!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -1.63 X(o=-1.6,f=-1.5) USER MOD Single : A 82 SER OG : rot -38:sc= 0.844 USER MOD Single : A 85 THR OG1 : rot 50:sc= -1.31 USER MOD Single : A 86 TYR OH : rot 45:sc= -1.55! USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.764 USER MOD Single : A 89 GLN : amide:sc= -0.148 K(o=-0.15,f=1) USER MOD Single : A 92 TYR OH : rot 150:sc= -3.38! USER MOD Single : A 93 GLN : amide:sc= -0.252 K(o=-0.25,f=-2.2!) USER MOD Single : A 95 HIS : no HD1:sc= -0.614 K(o=-0.61,f=-0.023) USER MOD Single : A 100 SER OG : rot 30:sc= -2.17! USER MOD Single : A 101 THR OG1 : rot 160:sc= -0.497 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= -1.2 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -1.654 25.601 3.246 1.00 0.00 N ATOM 2 CA SER A 1 -1.162 26.415 2.149 1.00 0.00 C ATOM 3 C SER A 1 -0.749 25.521 0.979 1.00 0.00 C ATOM 4 O SER A 1 -0.935 24.304 1.025 1.00 0.00 O ATOM 5 CB SER A 1 0.014 27.287 2.592 1.00 0.00 C ATOM 6 OG SER A 1 1.238 26.559 2.617 1.00 0.00 O ATOM 0 H1 SER A 1 -2.579 25.961 3.558 1.00 0.00 H new ATOM 0 H2 SER A 1 -1.755 24.616 2.929 1.00 0.00 H new ATOM 0 H3 SER A 1 -0.981 25.643 4.038 1.00 0.00 H new ATOM 0 HA SER A 1 -1.967 27.076 1.827 1.00 0.00 H new ATOM 0 HB2 SER A 1 0.111 28.136 1.915 1.00 0.00 H new ATOM 0 HB3 SER A 1 -0.188 27.691 3.584 1.00 0.00 H new ATOM 0 HG SER A 1 1.965 27.151 2.903 1.00 0.00 H new ATOM 13 N ARG A 2 -0.193 26.155 -0.043 1.00 0.00 N ATOM 14 CA ARG A 2 0.250 25.431 -1.223 1.00 0.00 C ATOM 15 C ARG A 2 1.565 24.702 -0.936 1.00 0.00 C ATOM 16 O ARG A 2 2.643 25.269 -1.108 1.00 0.00 O ATOM 17 CB ARG A 2 0.448 26.377 -2.408 1.00 0.00 C ATOM 18 CG ARG A 2 -0.800 26.417 -3.293 1.00 0.00 C ATOM 19 CD ARG A 2 -0.551 25.702 -4.624 1.00 0.00 C ATOM 20 NE ARG A 2 -0.486 26.690 -5.723 1.00 0.00 N ATOM 21 CZ ARG A 2 0.019 26.427 -6.947 1.00 0.00 C ATOM 22 NH1 ARG A 2 0.505 25.203 -7.240 1.00 0.00 N ATOM 23 NH2 ARG A 2 0.028 27.385 -7.855 1.00 0.00 N ATOM 0 H ARG A 2 -0.039 27.163 -0.079 1.00 0.00 H new ATOM 0 HA ARG A 2 -0.524 24.706 -1.477 1.00 0.00 H new ATOM 0 HB2 ARG A 2 0.672 27.380 -2.044 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.306 26.053 -2.997 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -1.634 25.946 -2.773 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -1.085 27.452 -3.480 1.00 0.00 H new ATOM 0 HD2 ARG A 2 0.381 25.138 -4.575 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -1.348 24.984 -4.816 1.00 0.00 H new ATOM 0 HE ARG A 2 -0.845 27.628 -5.545 1.00 0.00 H new ATOM 0 HH11 ARG A 2 0.493 24.467 -6.534 1.00 0.00 H new ATOM 0 HH12 ARG A 2 0.885 25.014 -8.168 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -0.343 28.307 -7.627 1.00 0.00 H new ATOM 0 HH22 ARG A 2 0.406 27.203 -8.785 1.00 0.00 H new ATOM 37 N ASP A 3 1.433 23.456 -0.508 1.00 0.00 N ATOM 38 CA ASP A 3 2.597 22.644 -0.195 1.00 0.00 C ATOM 39 C ASP A 3 2.240 21.165 -0.356 1.00 0.00 C ATOM 40 O ASP A 3 1.095 20.828 -0.657 1.00 0.00 O ATOM 41 CB ASP A 3 3.052 22.866 1.248 1.00 0.00 C ATOM 42 CG ASP A 3 4.505 22.481 1.535 1.00 0.00 C ATOM 43 OD1 ASP A 3 4.778 21.504 2.248 1.00 0.00 O ATOM 44 OD2 ASP A 3 5.389 23.241 0.983 1.00 0.00 O ATOM 0 H ASP A 3 0.537 22.988 -0.370 1.00 0.00 H new ATOM 0 HA ASP A 3 3.400 22.930 -0.874 1.00 0.00 H new ATOM 0 HB2 ASP A 3 2.914 23.918 1.499 1.00 0.00 H new ATOM 0 HB3 ASP A 3 2.403 22.293 1.910 1.00 0.00 H new ATOM 50 N PHE A 4 3.240 20.323 -0.150 1.00 0.00 N ATOM 51 CA PHE A 4 3.046 18.887 -0.268 1.00 0.00 C ATOM 52 C PHE A 4 2.729 18.495 -1.712 1.00 0.00 C ATOM 53 O PHE A 4 1.849 19.080 -2.340 1.00 0.00 O ATOM 54 CB PHE A 4 1.856 18.522 0.620 1.00 0.00 C ATOM 55 CG PHE A 4 0.830 17.608 -0.056 1.00 0.00 C ATOM 56 CD1 PHE A 4 0.973 16.258 0.018 1.00 0.00 C ATOM 57 CD2 PHE A 4 -0.220 18.147 -0.731 1.00 0.00 C ATOM 58 CE1 PHE A 4 0.022 15.410 -0.609 1.00 0.00 C ATOM 59 CE2 PHE A 4 -1.170 17.298 -1.359 1.00 0.00 C ATOM 60 CZ PHE A 4 -1.029 15.948 -1.285 1.00 0.00 C ATOM 0 H PHE A 4 4.188 20.606 0.098 1.00 0.00 H new ATOM 0 HA PHE A 4 3.953 18.363 0.032 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.225 18.032 1.521 1.00 0.00 H new ATOM 0 HB3 PHE A 4 1.358 19.438 0.937 1.00 0.00 H new ATOM 0 HD1 PHE A 4 1.809 15.831 0.553 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.332 19.220 -0.790 1.00 0.00 H new ATOM 0 HE1 PHE A 4 0.133 14.337 -0.549 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -2.004 17.725 -1.895 1.00 0.00 H new ATOM 0 HZ PHE A 4 -1.751 15.303 -1.763 1.00 0.00 H new ATOM 70 N THR A 5 3.465 17.506 -2.197 1.00 0.00 N ATOM 71 CA THR A 5 3.273 17.027 -3.557 1.00 0.00 C ATOM 72 C THR A 5 2.189 15.948 -3.594 1.00 0.00 C ATOM 73 O THR A 5 1.756 15.461 -2.551 1.00 0.00 O ATOM 74 CB THR A 5 4.627 16.549 -4.084 1.00 0.00 C ATOM 75 OG1 THR A 5 4.686 17.068 -5.409 1.00 0.00 O ATOM 76 CG2 THR A 5 4.677 15.031 -4.277 1.00 0.00 C ATOM 0 H THR A 5 4.195 17.023 -1.674 1.00 0.00 H new ATOM 0 HA THR A 5 2.916 17.823 -4.211 1.00 0.00 H new ATOM 0 HB THR A 5 5.414 16.854 -3.394 1.00 0.00 H new ATOM 0 HG1 THR A 5 5.534 16.807 -5.825 1.00 0.00 H new ATOM 0 HG21 THR A 5 5.659 14.744 -4.652 1.00 0.00 H new ATOM 0 HG22 THR A 5 4.495 14.537 -3.323 1.00 0.00 H new ATOM 0 HG23 THR A 5 3.913 14.730 -4.993 1.00 0.00 H new ATOM 84 N PRO A 6 1.774 15.594 -4.840 1.00 0.00 N ATOM 85 CA PRO A 6 0.750 14.581 -5.027 1.00 0.00 C ATOM 86 C PRO A 6 1.313 13.180 -4.780 1.00 0.00 C ATOM 87 O PRO A 6 2.213 12.733 -5.490 1.00 0.00 O ATOM 88 CB PRO A 6 0.255 14.778 -6.451 1.00 0.00 C ATOM 89 CG PRO A 6 1.335 15.583 -7.159 1.00 0.00 C ATOM 90 CD PRO A 6 2.265 16.146 -6.097 1.00 0.00 C ATOM 0 HA PRO A 6 -0.071 14.678 -4.317 1.00 0.00 H new ATOM 0 HB2 PRO A 6 0.095 13.820 -6.945 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.698 15.307 -6.464 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.887 14.952 -7.855 1.00 0.00 H new ATOM 0 HG3 PRO A 6 0.890 16.388 -7.743 1.00 0.00 H new ATOM 0 HD2 PRO A 6 3.299 15.853 -6.281 1.00 0.00 H new ATOM 0 HD3 PRO A 6 2.240 17.236 -6.087 1.00 0.00 H new ATOM 98 N PRO A 7 0.744 12.505 -3.744 1.00 0.00 N ATOM 99 CA PRO A 7 1.179 11.165 -3.394 1.00 0.00 C ATOM 100 C PRO A 7 0.651 10.137 -4.399 1.00 0.00 C ATOM 101 O PRO A 7 -0.403 10.337 -5.000 1.00 0.00 O ATOM 102 CB PRO A 7 0.661 10.938 -1.984 1.00 0.00 C ATOM 103 CG PRO A 7 -0.436 11.968 -1.773 1.00 0.00 C ATOM 104 CD PRO A 7 -0.324 13.001 -2.883 1.00 0.00 C ATOM 0 HA PRO A 7 2.263 11.052 -3.428 1.00 0.00 H new ATOM 0 HB2 PRO A 7 0.274 9.926 -1.868 1.00 0.00 H new ATOM 0 HB3 PRO A 7 1.458 11.060 -1.251 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.416 11.491 -1.792 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -0.332 12.443 -0.797 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -1.262 13.097 -3.431 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -0.085 13.987 -2.484 1.00 0.00 H new ATOM 112 N THR A 8 1.409 9.060 -4.548 1.00 0.00 N ATOM 113 CA THR A 8 1.031 8.001 -5.468 1.00 0.00 C ATOM 114 C THR A 8 1.505 6.644 -4.945 1.00 0.00 C ATOM 115 O THR A 8 2.615 6.528 -4.425 1.00 0.00 O ATOM 116 CB THR A 8 1.592 8.351 -6.847 1.00 0.00 C ATOM 117 OG1 THR A 8 1.404 7.162 -7.610 1.00 0.00 O ATOM 118 CG2 THR A 8 3.109 8.547 -6.829 1.00 0.00 C ATOM 0 H THR A 8 2.283 8.898 -4.047 1.00 0.00 H new ATOM 0 HA THR A 8 -0.053 7.919 -5.553 1.00 0.00 H new ATOM 0 HB THR A 8 1.113 9.259 -7.214 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.739 7.301 -8.520 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.456 8.794 -7.832 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.363 9.359 -6.148 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.591 7.628 -6.494 1.00 0.00 H new ATOM 126 N VAL A 9 0.641 5.652 -5.098 1.00 0.00 N ATOM 127 CA VAL A 9 0.958 4.307 -4.646 1.00 0.00 C ATOM 128 C VAL A 9 0.584 3.305 -5.740 1.00 0.00 C ATOM 129 O VAL A 9 -0.374 3.520 -6.481 1.00 0.00 O ATOM 130 CB VAL A 9 0.262 4.025 -3.313 1.00 0.00 C ATOM 131 CG1 VAL A 9 -1.206 3.652 -3.530 1.00 0.00 C ATOM 132 CG2 VAL A 9 0.998 2.933 -2.532 1.00 0.00 C ATOM 0 H VAL A 9 -0.278 5.752 -5.528 1.00 0.00 H new ATOM 0 HA VAL A 9 2.028 4.207 -4.466 1.00 0.00 H new ATOM 0 HB VAL A 9 0.290 4.938 -2.719 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.678 3.456 -2.567 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.721 4.475 -4.026 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.266 2.759 -4.152 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.484 2.751 -1.588 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.015 2.015 -3.119 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.020 3.255 -2.332 1.00 0.00 H new ATOM 142 N LYS A 10 1.358 2.233 -5.806 1.00 0.00 N ATOM 143 CA LYS A 10 1.120 1.197 -6.797 1.00 0.00 C ATOM 144 C LYS A 10 1.213 -0.175 -6.126 1.00 0.00 C ATOM 145 O LYS A 10 1.721 -0.292 -5.012 1.00 0.00 O ATOM 146 CB LYS A 10 2.069 1.365 -7.986 1.00 0.00 C ATOM 147 CG LYS A 10 1.372 2.082 -9.146 1.00 0.00 C ATOM 148 CD LYS A 10 2.306 3.099 -9.802 1.00 0.00 C ATOM 149 CE LYS A 10 3.255 2.415 -10.789 1.00 0.00 C ATOM 150 NZ LYS A 10 4.130 3.414 -11.442 1.00 0.00 N ATOM 0 H LYS A 10 2.151 2.059 -5.189 1.00 0.00 H new ATOM 0 HA LYS A 10 0.114 1.285 -7.206 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.947 1.932 -7.678 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.421 0.388 -8.316 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.046 1.352 -9.887 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.477 2.587 -8.781 1.00 0.00 H new ATOM 0 HD2 LYS A 10 1.718 3.855 -10.322 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.883 3.615 -9.035 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.863 1.677 -10.266 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.680 1.878 -11.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.768 2.934 -12.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.546 4.103 -11.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 4.692 3.908 -10.720 1.00 0.00 H new ATOM 164 N ILE A 11 0.714 -1.179 -6.834 1.00 0.00 N ATOM 165 CA ILE A 11 0.735 -2.538 -6.320 1.00 0.00 C ATOM 166 C ILE A 11 1.284 -3.476 -7.398 1.00 0.00 C ATOM 167 O ILE A 11 0.743 -3.546 -8.501 1.00 0.00 O ATOM 168 CB ILE A 11 -0.650 -2.937 -5.805 1.00 0.00 C ATOM 169 CG1 ILE A 11 -0.569 -3.473 -4.375 1.00 0.00 C ATOM 170 CG2 ILE A 11 -1.323 -3.932 -6.754 1.00 0.00 C ATOM 171 CD1 ILE A 11 0.461 -4.600 -4.270 1.00 0.00 C ATOM 0 H ILE A 11 0.294 -1.078 -7.758 1.00 0.00 H new ATOM 0 HA ILE A 11 1.402 -2.612 -5.461 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.275 -2.045 -5.779 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.300 -2.665 -3.695 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.547 -3.839 -4.064 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.305 -4.199 -6.364 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.434 -3.478 -7.739 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.709 -4.829 -6.836 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.499 -4.964 -3.243 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.176 -5.416 -4.934 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.443 -4.224 -4.558 1.00 0.00 H new ATOM 183 N LEU A 12 2.352 -4.175 -7.039 1.00 0.00 N ATOM 184 CA LEU A 12 2.980 -5.106 -7.961 1.00 0.00 C ATOM 185 C LEU A 12 3.122 -6.471 -7.283 1.00 0.00 C ATOM 186 O LEU A 12 3.634 -6.563 -6.168 1.00 0.00 O ATOM 187 CB LEU A 12 4.302 -4.537 -8.480 1.00 0.00 C ATOM 188 CG LEU A 12 4.235 -3.132 -9.082 1.00 0.00 C ATOM 189 CD1 LEU A 12 5.638 -2.595 -9.378 1.00 0.00 C ATOM 190 CD2 LEU A 12 3.338 -3.107 -10.322 1.00 0.00 C ATOM 0 H LEU A 12 2.797 -4.115 -6.123 1.00 0.00 H new ATOM 0 HA LEU A 12 2.354 -5.250 -8.842 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.018 -4.525 -7.658 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.696 -5.217 -9.236 1.00 0.00 H new ATOM 0 HG LEU A 12 3.784 -2.467 -8.346 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.562 -1.595 -9.805 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.214 -2.552 -8.453 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.138 -3.255 -10.086 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.308 -2.096 -10.729 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.736 -3.789 -11.073 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.330 -3.417 -10.048 1.00 0.00 H new ATOM 202 N GLN A 13 2.661 -7.496 -7.985 1.00 0.00 N ATOM 203 CA GLN A 13 2.731 -8.851 -7.464 1.00 0.00 C ATOM 204 C GLN A 13 3.838 -9.634 -8.172 1.00 0.00 C ATOM 205 O GLN A 13 4.001 -9.523 -9.386 1.00 0.00 O ATOM 206 CB GLN A 13 1.383 -9.560 -7.598 1.00 0.00 C ATOM 207 CG GLN A 13 0.335 -8.634 -8.220 1.00 0.00 C ATOM 208 CD GLN A 13 0.447 -8.626 -9.746 1.00 0.00 C ATOM 209 OE1 GLN A 13 1.082 -9.473 -10.352 1.00 0.00 O ATOM 210 NE2 GLN A 13 -0.206 -7.626 -10.331 1.00 0.00 N ATOM 0 H GLN A 13 2.238 -7.416 -8.910 1.00 0.00 H new ATOM 0 HA GLN A 13 2.972 -8.800 -6.402 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.497 -10.452 -8.214 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.044 -9.892 -6.617 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.663 -8.960 -7.927 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.466 -7.622 -7.837 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.719 -6.951 -9.764 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -0.194 -7.534 -11.347 1.00 0.00 H new ATOM 219 N SER A 14 4.567 -10.411 -7.384 1.00 0.00 N ATOM 220 CA SER A 14 5.652 -11.214 -7.921 1.00 0.00 C ATOM 221 C SER A 14 5.562 -12.642 -7.383 1.00 0.00 C ATOM 222 O SER A 14 6.353 -13.037 -6.525 1.00 0.00 O ATOM 223 CB SER A 14 7.012 -10.602 -7.578 1.00 0.00 C ATOM 224 OG SER A 14 7.881 -10.564 -8.708 1.00 0.00 O ATOM 0 H SER A 14 4.427 -10.501 -6.378 1.00 0.00 H new ATOM 0 HA SER A 14 5.557 -11.235 -9.007 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.869 -9.591 -7.197 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.479 -11.180 -6.781 1.00 0.00 H new ATOM 0 HG SER A 14 8.738 -10.165 -8.449 1.00 0.00 H new ATOM 230 N SER A 15 4.594 -13.379 -7.905 1.00 0.00 N ATOM 231 CA SER A 15 4.390 -14.755 -7.487 1.00 0.00 C ATOM 232 C SER A 15 4.414 -15.682 -8.705 1.00 0.00 C ATOM 233 O SER A 15 3.586 -15.551 -9.606 1.00 0.00 O ATOM 234 CB SER A 15 3.072 -14.912 -6.727 1.00 0.00 C ATOM 235 OG SER A 15 1.948 -14.549 -7.525 1.00 0.00 O ATOM 0 H SER A 15 3.941 -13.049 -8.615 1.00 0.00 H new ATOM 0 HA SER A 15 5.201 -15.030 -6.813 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.964 -15.946 -6.398 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.095 -14.293 -5.830 1.00 0.00 H new ATOM 0 HG SER A 15 2.105 -14.820 -8.454 1.00 0.00 H new ATOM 241 N SER A 16 5.372 -16.596 -8.694 1.00 0.00 N ATOM 242 CA SER A 16 5.514 -17.545 -9.787 1.00 0.00 C ATOM 243 C SER A 16 6.401 -18.713 -9.355 1.00 0.00 C ATOM 244 O SER A 16 7.380 -18.519 -8.636 1.00 0.00 O ATOM 245 CB SER A 16 6.094 -16.867 -11.031 1.00 0.00 C ATOM 246 OG SER A 16 7.506 -16.691 -10.933 1.00 0.00 O ATOM 0 H SER A 16 6.058 -16.701 -7.946 1.00 0.00 H new ATOM 0 HA SER A 16 4.525 -17.926 -10.041 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.863 -17.467 -11.912 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.616 -15.897 -11.172 1.00 0.00 H new ATOM 0 HG SER A 16 7.839 -16.257 -11.746 1.00 0.00 H new ATOM 252 N ASP A 17 6.028 -19.899 -9.811 1.00 0.00 N ATOM 253 CA ASP A 17 6.778 -21.098 -9.481 1.00 0.00 C ATOM 254 C ASP A 17 8.273 -20.777 -9.489 1.00 0.00 C ATOM 255 O ASP A 17 8.719 -19.893 -10.220 1.00 0.00 O ATOM 256 CB ASP A 17 6.527 -22.206 -10.506 1.00 0.00 C ATOM 257 CG ASP A 17 5.893 -21.740 -11.819 1.00 0.00 C ATOM 258 OD1 ASP A 17 6.575 -21.603 -12.845 1.00 0.00 O ATOM 259 OD2 ASP A 17 4.625 -21.510 -11.760 1.00 0.00 O ATOM 0 H ASP A 17 5.215 -20.055 -10.407 1.00 0.00 H new ATOM 0 HA ASP A 17 6.454 -21.438 -8.497 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.475 -22.694 -10.731 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.880 -22.958 -10.055 1.00 0.00 H new ATOM 265 N GLY A 18 9.009 -21.512 -8.668 1.00 0.00 N ATOM 266 CA GLY A 18 10.445 -21.318 -8.570 1.00 0.00 C ATOM 267 C GLY A 18 10.991 -21.895 -7.264 1.00 0.00 C ATOM 268 O GLY A 18 10.392 -21.715 -6.204 1.00 0.00 O ATOM 0 H GLY A 18 8.636 -22.244 -8.064 1.00 0.00 H new ATOM 0 HA2 GLY A 18 10.938 -21.796 -9.416 1.00 0.00 H new ATOM 0 HA3 GLY A 18 10.676 -20.254 -8.626 1.00 0.00 H new ATOM 272 N GLY A 19 12.121 -22.576 -7.380 1.00 0.00 N ATOM 273 CA GLY A 19 12.753 -23.181 -6.221 1.00 0.00 C ATOM 274 C GLY A 19 12.918 -24.691 -6.412 1.00 0.00 C ATOM 275 O GLY A 19 13.162 -25.157 -7.523 1.00 0.00 O ATOM 0 H GLY A 19 12.616 -22.722 -8.260 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.728 -22.723 -6.054 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.153 -22.987 -5.332 1.00 0.00 H new ATOM 279 N GLY A 20 12.778 -25.413 -5.309 1.00 0.00 N ATOM 280 CA GLY A 20 12.909 -26.858 -5.341 1.00 0.00 C ATOM 281 C GLY A 20 12.767 -27.453 -3.937 1.00 0.00 C ATOM 282 O GLY A 20 11.738 -28.040 -3.609 1.00 0.00 O ATOM 0 H GLY A 20 12.575 -25.023 -4.389 1.00 0.00 H new ATOM 0 HA2 GLY A 20 12.149 -27.281 -5.998 1.00 0.00 H new ATOM 0 HA3 GLY A 20 13.878 -27.130 -5.759 1.00 0.00 H new ATOM 286 N HIS A 21 13.815 -27.279 -3.147 1.00 0.00 N ATOM 287 CA HIS A 21 13.822 -27.792 -1.787 1.00 0.00 C ATOM 288 C HIS A 21 12.963 -26.890 -0.897 1.00 0.00 C ATOM 289 O HIS A 21 11.956 -27.334 -0.346 1.00 0.00 O ATOM 290 CB HIS A 21 15.254 -27.945 -1.269 1.00 0.00 C ATOM 291 CG HIS A 21 15.404 -28.970 -0.172 1.00 0.00 C ATOM 292 ND1 HIS A 21 16.176 -28.753 0.956 1.00 0.00 N ATOM 293 CD2 HIS A 21 14.871 -30.219 -0.040 1.00 0.00 C ATOM 294 CE1 HIS A 21 16.106 -29.831 1.724 1.00 0.00 C ATOM 295 NE2 HIS A 21 15.297 -30.738 1.105 1.00 0.00 N ATOM 0 H HIS A 21 14.667 -26.790 -3.422 1.00 0.00 H new ATOM 0 HA HIS A 21 13.384 -28.790 -1.768 1.00 0.00 H new ATOM 0 HB2 HIS A 21 15.903 -28.220 -2.101 1.00 0.00 H new ATOM 0 HB3 HIS A 21 15.601 -26.980 -0.900 1.00 0.00 H new ATOM 0 HD2 HIS A 21 14.214 -30.703 -0.747 1.00 0.00 H new ATOM 0 HE1 HIS A 21 16.602 -29.967 2.673 1.00 0.00 H new ATOM 0 HE2 HIS A 21 15.059 -31.663 1.463 1.00 0.00 H new ATOM 303 N PHE A 22 13.392 -25.643 -0.783 1.00 0.00 N ATOM 304 CA PHE A 22 12.676 -24.674 0.031 1.00 0.00 C ATOM 305 C PHE A 22 11.299 -24.373 -0.562 1.00 0.00 C ATOM 306 O PHE A 22 11.099 -24.492 -1.771 1.00 0.00 O ATOM 307 CB PHE A 22 13.509 -23.391 0.037 1.00 0.00 C ATOM 308 CG PHE A 22 13.524 -22.667 1.385 1.00 0.00 C ATOM 309 CD1 PHE A 22 13.835 -23.349 2.520 1.00 0.00 C ATOM 310 CD2 PHE A 22 13.228 -21.342 1.447 1.00 0.00 C ATOM 311 CE1 PHE A 22 13.849 -22.675 3.771 1.00 0.00 C ATOM 312 CE2 PHE A 22 13.241 -20.669 2.698 1.00 0.00 C ATOM 313 CZ PHE A 22 13.552 -21.350 3.832 1.00 0.00 C ATOM 0 H PHE A 22 14.228 -25.280 -1.241 1.00 0.00 H new ATOM 0 HA PHE A 22 12.530 -25.068 1.037 1.00 0.00 H new ATOM 0 HB2 PHE A 22 14.533 -23.633 -0.245 1.00 0.00 H new ATOM 0 HB3 PHE A 22 13.120 -22.714 -0.724 1.00 0.00 H new ATOM 0 HD1 PHE A 22 14.071 -24.402 2.471 1.00 0.00 H new ATOM 0 HD2 PHE A 22 12.983 -20.801 0.545 1.00 0.00 H new ATOM 0 HE1 PHE A 22 14.096 -23.215 4.673 1.00 0.00 H new ATOM 0 HE2 PHE A 22 13.004 -19.617 2.748 1.00 0.00 H new ATOM 0 HZ PHE A 22 13.563 -20.838 4.783 1.00 0.00 H new ATOM 323 N PRO A 23 10.360 -23.977 0.338 1.00 0.00 N ATOM 324 CA PRO A 23 9.006 -23.656 -0.083 1.00 0.00 C ATOM 325 C PRO A 23 8.958 -22.298 -0.784 1.00 0.00 C ATOM 326 O PRO A 23 9.780 -21.424 -0.510 1.00 0.00 O ATOM 327 CB PRO A 23 8.177 -23.698 1.188 1.00 0.00 C ATOM 328 CG PRO A 23 9.167 -23.582 2.336 1.00 0.00 C ATOM 329 CD PRO A 23 10.559 -23.825 1.776 1.00 0.00 C ATOM 0 HA PRO A 23 8.617 -24.360 -0.819 1.00 0.00 H new ATOM 0 HB2 PRO A 23 7.455 -22.881 1.211 1.00 0.00 H new ATOM 0 HB3 PRO A 23 7.610 -24.626 1.254 1.00 0.00 H new ATOM 0 HG2 PRO A 23 9.107 -22.595 2.794 1.00 0.00 H new ATOM 0 HG3 PRO A 23 8.936 -24.309 3.114 1.00 0.00 H new ATOM 0 HD2 PRO A 23 11.226 -22.992 1.997 1.00 0.00 H new ATOM 0 HD3 PRO A 23 11.010 -24.718 2.210 1.00 0.00 H new ATOM 337 N PRO A 24 7.961 -22.158 -1.699 1.00 0.00 N ATOM 338 CA PRO A 24 7.795 -20.918 -2.440 1.00 0.00 C ATOM 339 C PRO A 24 7.186 -19.829 -1.557 1.00 0.00 C ATOM 340 O PRO A 24 6.645 -20.118 -0.491 1.00 0.00 O ATOM 341 CB PRO A 24 6.915 -21.284 -3.625 1.00 0.00 C ATOM 342 CG PRO A 24 6.243 -22.596 -3.256 1.00 0.00 C ATOM 343 CD PRO A 24 6.970 -23.168 -2.050 1.00 0.00 C ATOM 0 HA PRO A 24 8.743 -20.499 -2.778 1.00 0.00 H new ATOM 0 HB2 PRO A 24 6.175 -20.507 -3.817 1.00 0.00 H new ATOM 0 HB3 PRO A 24 7.508 -21.391 -4.533 1.00 0.00 H new ATOM 0 HG2 PRO A 24 5.190 -22.434 -3.026 1.00 0.00 H new ATOM 0 HG3 PRO A 24 6.283 -23.294 -4.092 1.00 0.00 H new ATOM 0 HD2 PRO A 24 6.283 -23.352 -1.224 1.00 0.00 H new ATOM 0 HD3 PRO A 24 7.443 -24.120 -2.289 1.00 0.00 H new ATOM 351 N THR A 25 7.290 -18.596 -2.034 1.00 0.00 N ATOM 352 CA THR A 25 6.757 -17.461 -1.302 1.00 0.00 C ATOM 353 C THR A 25 6.154 -16.439 -2.268 1.00 0.00 C ATOM 354 O THR A 25 6.257 -16.593 -3.483 1.00 0.00 O ATOM 355 CB THR A 25 7.878 -16.889 -0.433 1.00 0.00 C ATOM 356 OG1 THR A 25 7.654 -15.482 -0.460 1.00 0.00 O ATOM 357 CG2 THR A 25 9.257 -17.060 -1.069 1.00 0.00 C ATOM 0 H THR A 25 7.737 -18.359 -2.920 1.00 0.00 H new ATOM 0 HA THR A 25 5.940 -17.762 -0.646 1.00 0.00 H new ATOM 0 HB THR A 25 7.866 -17.376 0.542 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.118 -15.221 0.318 1.00 0.00 H new ATOM 0 HG21 THR A 25 10.016 -16.637 -0.411 1.00 0.00 H new ATOM 0 HG22 THR A 25 9.459 -18.120 -1.221 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.281 -16.545 -2.029 1.00 0.00 H new ATOM 365 N ILE A 26 5.540 -15.418 -1.689 1.00 0.00 N ATOM 366 CA ILE A 26 4.922 -14.369 -2.484 1.00 0.00 C ATOM 367 C ILE A 26 5.761 -13.094 -2.380 1.00 0.00 C ATOM 368 O ILE A 26 6.194 -12.719 -1.291 1.00 0.00 O ATOM 369 CB ILE A 26 3.460 -14.179 -2.075 1.00 0.00 C ATOM 370 CG1 ILE A 26 2.559 -14.042 -3.305 1.00 0.00 C ATOM 371 CG2 ILE A 26 3.307 -12.994 -1.119 1.00 0.00 C ATOM 372 CD1 ILE A 26 1.162 -13.559 -2.911 1.00 0.00 C ATOM 0 H ILE A 26 5.457 -15.294 -0.680 1.00 0.00 H new ATOM 0 HA ILE A 26 4.901 -14.651 -3.537 1.00 0.00 H new ATOM 0 HB ILE A 26 3.138 -15.071 -1.537 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.005 -13.340 -4.010 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.485 -15.003 -3.815 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.258 -12.881 -0.844 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.900 -13.171 -0.222 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.653 -12.084 -1.609 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.543 -13.470 -3.803 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.710 -14.275 -2.225 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.237 -12.587 -2.423 1.00 0.00 H new ATOM 384 N GLN A 27 5.964 -12.461 -3.526 1.00 0.00 N ATOM 385 CA GLN A 27 6.742 -11.236 -3.578 1.00 0.00 C ATOM 386 C GLN A 27 5.878 -10.078 -4.082 1.00 0.00 C ATOM 387 O GLN A 27 5.961 -9.698 -5.247 1.00 0.00 O ATOM 388 CB GLN A 27 7.985 -11.412 -4.453 1.00 0.00 C ATOM 389 CG GLN A 27 9.222 -11.692 -3.596 1.00 0.00 C ATOM 390 CD GLN A 27 10.415 -10.854 -4.066 1.00 0.00 C ATOM 391 OE1 GLN A 27 10.736 -10.789 -5.240 1.00 0.00 O ATOM 392 NE2 GLN A 27 11.049 -10.220 -3.084 1.00 0.00 N ATOM 0 H GLN A 27 5.602 -12.774 -4.427 1.00 0.00 H new ATOM 0 HA GLN A 27 7.078 -11.000 -2.568 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.829 -12.233 -5.152 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.146 -10.513 -5.048 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.004 -11.468 -2.552 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.473 -12.751 -3.649 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.726 -10.319 -2.121 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.858 -9.635 -3.293 1.00 0.00 H new ATOM 401 N LEU A 28 5.068 -9.550 -3.176 1.00 0.00 N ATOM 402 CA LEU A 28 4.188 -8.444 -3.513 1.00 0.00 C ATOM 403 C LEU A 28 4.846 -7.128 -3.091 1.00 0.00 C ATOM 404 O LEU A 28 4.937 -6.830 -1.902 1.00 0.00 O ATOM 405 CB LEU A 28 2.799 -8.657 -2.907 1.00 0.00 C ATOM 406 CG LEU A 28 2.313 -10.107 -2.841 1.00 0.00 C ATOM 407 CD1 LEU A 28 1.269 -10.285 -1.737 1.00 0.00 C ATOM 408 CD2 LEU A 28 1.792 -10.573 -4.203 1.00 0.00 C ATOM 0 H LEU A 28 5.003 -9.868 -2.209 1.00 0.00 H new ATOM 0 HA LEU A 28 4.035 -8.396 -4.591 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.798 -8.248 -1.897 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.079 -8.079 -3.486 1.00 0.00 H new ATOM 0 HG LEU A 28 3.162 -10.741 -2.587 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.940 -11.324 -1.711 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.708 -10.019 -0.775 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.414 -9.639 -1.937 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.453 -11.606 -4.129 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.960 -9.939 -4.511 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.591 -10.506 -4.941 1.00 0.00 H new ATOM 420 N LEU A 29 5.289 -6.378 -4.089 1.00 0.00 N ATOM 421 CA LEU A 29 5.936 -5.102 -3.837 1.00 0.00 C ATOM 422 C LEU A 29 5.076 -3.975 -4.416 1.00 0.00 C ATOM 423 O LEU A 29 4.673 -4.033 -5.576 1.00 0.00 O ATOM 424 CB LEU A 29 7.372 -5.114 -4.368 1.00 0.00 C ATOM 425 CG LEU A 29 7.644 -6.055 -5.544 1.00 0.00 C ATOM 426 CD1 LEU A 29 6.946 -5.561 -6.813 1.00 0.00 C ATOM 427 CD2 LEU A 29 9.147 -6.250 -5.753 1.00 0.00 C ATOM 0 H LEU A 29 5.212 -6.630 -5.074 1.00 0.00 H new ATOM 0 HA LEU A 29 6.018 -4.923 -2.765 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.635 -4.100 -4.671 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.039 -5.385 -3.550 1.00 0.00 H new ATOM 0 HG LEU A 29 7.224 -7.032 -5.306 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.155 -6.247 -7.634 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.870 -5.516 -6.643 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.315 -4.567 -7.068 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.313 -6.923 -6.594 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.613 -5.287 -5.961 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.587 -6.679 -4.853 1.00 0.00 H new ATOM 439 N CYS A 30 4.824 -2.979 -3.580 1.00 0.00 N ATOM 440 CA CYS A 30 4.020 -1.841 -3.994 1.00 0.00 C ATOM 441 C CYS A 30 4.958 -0.769 -4.555 1.00 0.00 C ATOM 442 O CYS A 30 6.174 -0.857 -4.394 1.00 0.00 O ATOM 443 CB CYS A 30 3.163 -1.306 -2.845 1.00 0.00 C ATOM 444 SG CYS A 30 1.826 -2.429 -2.298 1.00 0.00 S ATOM 0 H CYS A 30 5.162 -2.936 -2.619 1.00 0.00 H new ATOM 0 HA CYS A 30 3.319 -2.150 -4.769 1.00 0.00 H new ATOM 0 HB2 CYS A 30 3.811 -1.094 -1.995 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.720 -0.358 -3.151 1.00 0.00 H new ATOM 449 N LEU A 31 4.356 0.219 -5.200 1.00 0.00 N ATOM 450 CA LEU A 31 5.121 1.306 -5.785 1.00 0.00 C ATOM 451 C LEU A 31 4.555 2.643 -5.298 1.00 0.00 C ATOM 452 O LEU A 31 3.601 3.163 -5.877 1.00 0.00 O ATOM 453 CB LEU A 31 5.162 1.173 -7.308 1.00 0.00 C ATOM 454 CG LEU A 31 6.461 0.618 -7.897 1.00 0.00 C ATOM 455 CD1 LEU A 31 6.719 -0.808 -7.407 1.00 0.00 C ATOM 456 CD2 LEU A 31 6.452 0.705 -9.425 1.00 0.00 C ATOM 0 H LEU A 31 3.347 0.289 -5.330 1.00 0.00 H new ATOM 0 HA LEU A 31 6.159 1.261 -5.457 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.340 0.528 -7.619 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.979 2.155 -7.744 1.00 0.00 H new ATOM 0 HG LEU A 31 7.287 1.235 -7.544 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.648 -1.179 -7.840 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.799 -0.810 -6.320 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.894 -1.452 -7.711 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.386 0.304 -9.818 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.616 0.127 -9.817 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.348 1.746 -9.730 1.00 0.00 H new ATOM 468 N VAL A 32 5.165 3.158 -4.242 1.00 0.00 N ATOM 469 CA VAL A 32 4.733 4.423 -3.673 1.00 0.00 C ATOM 470 C VAL A 32 5.906 5.407 -3.678 1.00 0.00 C ATOM 471 O VAL A 32 6.936 5.152 -3.057 1.00 0.00 O ATOM 472 CB VAL A 32 4.149 4.197 -2.277 1.00 0.00 C ATOM 473 CG1 VAL A 32 5.258 4.100 -1.228 1.00 0.00 C ATOM 474 CG2 VAL A 32 3.147 5.295 -1.917 1.00 0.00 C ATOM 0 H VAL A 32 5.955 2.723 -3.765 1.00 0.00 H new ATOM 0 HA VAL A 32 3.938 4.861 -4.276 1.00 0.00 H new ATOM 0 HB VAL A 32 3.614 3.247 -2.287 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.816 3.939 -0.245 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.916 3.266 -1.470 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.833 5.026 -1.220 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.747 5.110 -0.920 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.647 6.263 -1.934 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.332 5.295 -2.641 1.00 0.00 H new ATOM 484 N SER A 33 5.708 6.510 -4.384 1.00 0.00 N ATOM 485 CA SER A 33 6.736 7.533 -4.476 1.00 0.00 C ATOM 486 C SER A 33 6.100 8.885 -4.803 1.00 0.00 C ATOM 487 O SER A 33 4.879 8.995 -4.899 1.00 0.00 O ATOM 488 CB SER A 33 7.780 7.169 -5.533 1.00 0.00 C ATOM 489 OG SER A 33 7.181 6.756 -6.759 1.00 0.00 O ATOM 0 H SER A 33 4.852 6.718 -4.898 1.00 0.00 H new ATOM 0 HA SER A 33 7.241 7.599 -3.512 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.424 8.029 -5.717 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.416 6.369 -5.153 1.00 0.00 H new ATOM 0 HG SER A 33 7.882 6.534 -7.407 1.00 0.00 H new ATOM 495 N GLY A 34 6.957 9.883 -4.965 1.00 0.00 N ATOM 496 CA GLY A 34 6.494 11.225 -5.279 1.00 0.00 C ATOM 497 C GLY A 34 6.016 11.948 -4.017 1.00 0.00 C ATOM 498 O GLY A 34 6.362 13.107 -3.795 1.00 0.00 O ATOM 0 H GLY A 34 7.970 9.789 -4.885 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.300 11.792 -5.745 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.681 11.173 -6.003 1.00 0.00 H new ATOM 502 N TYR A 35 5.230 11.233 -3.227 1.00 0.00 N ATOM 503 CA TYR A 35 4.702 11.794 -1.994 1.00 0.00 C ATOM 504 C TYR A 35 5.830 12.129 -1.016 1.00 0.00 C ATOM 505 O TYR A 35 6.892 11.507 -1.050 1.00 0.00 O ATOM 506 CB TYR A 35 3.818 10.706 -1.380 1.00 0.00 C ATOM 507 CG TYR A 35 4.585 9.456 -0.940 1.00 0.00 C ATOM 508 CD1 TYR A 35 5.488 9.533 0.101 1.00 0.00 C ATOM 509 CD2 TYR A 35 4.373 8.254 -1.582 1.00 0.00 C ATOM 510 CE1 TYR A 35 6.209 8.358 0.518 1.00 0.00 C ATOM 511 CE2 TYR A 35 5.094 7.079 -1.167 1.00 0.00 C ATOM 512 CZ TYR A 35 5.976 7.188 -0.138 1.00 0.00 C ATOM 513 OH TYR A 35 6.657 6.080 0.254 1.00 0.00 O ATOM 0 H TYR A 35 4.946 10.272 -3.415 1.00 0.00 H new ATOM 0 HA TYR A 35 4.154 12.714 -2.196 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.294 11.121 -0.519 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.058 10.417 -2.106 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.654 10.475 0.603 1.00 0.00 H new ATOM 0 HD2 TYR A 35 3.666 8.194 -2.396 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.918 8.404 1.332 1.00 0.00 H new ATOM 0 HE2 TYR A 35 4.938 6.132 -1.662 1.00 0.00 H new ATOM 0 HH TYR A 35 7.456 6.347 0.754 1.00 0.00 H new ATOM 523 N THR A 36 5.562 13.110 -0.167 1.00 0.00 N ATOM 524 CA THR A 36 6.540 13.534 0.819 1.00 0.00 C ATOM 525 C THR A 36 7.891 13.800 0.150 1.00 0.00 C ATOM 526 O THR A 36 8.267 13.107 -0.793 1.00 0.00 O ATOM 527 CB THR A 36 6.604 12.467 1.913 1.00 0.00 C ATOM 528 OG1 THR A 36 5.241 12.115 2.134 1.00 0.00 O ATOM 529 CG2 THR A 36 7.065 13.033 3.258 1.00 0.00 C ATOM 0 H THR A 36 4.681 13.623 -0.142 1.00 0.00 H new ATOM 0 HA THR A 36 6.250 14.477 1.282 1.00 0.00 H new ATOM 0 HB THR A 36 7.281 11.671 1.604 1.00 0.00 H new ATOM 0 HG1 THR A 36 4.957 12.443 3.013 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.093 12.234 3.999 1.00 0.00 H new ATOM 0 HG22 THR A 36 8.061 13.462 3.150 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.370 13.807 3.585 1.00 0.00 H new ATOM 537 N PRO A 37 8.601 14.832 0.678 1.00 0.00 N ATOM 538 CA PRO A 37 9.901 15.197 0.144 1.00 0.00 C ATOM 539 C PRO A 37 10.974 14.193 0.573 1.00 0.00 C ATOM 540 O PRO A 37 12.079 14.189 0.031 1.00 0.00 O ATOM 541 CB PRO A 37 10.161 16.602 0.663 1.00 0.00 C ATOM 542 CG PRO A 37 9.219 16.791 1.841 1.00 0.00 C ATOM 543 CD PRO A 37 8.187 15.675 1.796 1.00 0.00 C ATOM 0 HA PRO A 37 9.927 15.178 -0.946 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.200 16.719 0.971 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.973 17.346 -0.111 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.772 16.762 2.780 1.00 0.00 H new ATOM 0 HG3 PRO A 37 8.731 17.764 1.788 1.00 0.00 H new ATOM 0 HD2 PRO A 37 8.170 15.114 2.730 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.183 16.070 1.643 1.00 0.00 H new ATOM 551 N GLY A 38 10.609 13.366 1.542 1.00 0.00 N ATOM 552 CA GLY A 38 11.526 12.360 2.050 1.00 0.00 C ATOM 553 C GLY A 38 10.916 10.960 1.947 1.00 0.00 C ATOM 554 O GLY A 38 11.536 10.048 1.400 1.00 0.00 O ATOM 0 H GLY A 38 9.692 13.372 1.988 1.00 0.00 H new ATOM 0 HA2 GLY A 38 12.459 12.396 1.488 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.771 12.578 3.089 1.00 0.00 H new ATOM 558 N THR A 39 9.711 10.835 2.479 1.00 0.00 N ATOM 559 CA THR A 39 9.010 9.561 2.455 1.00 0.00 C ATOM 560 C THR A 39 7.880 9.554 3.486 1.00 0.00 C ATOM 561 O THR A 39 7.751 10.486 4.279 1.00 0.00 O ATOM 562 CB THR A 39 10.039 8.450 2.671 1.00 0.00 C ATOM 563 OG1 THR A 39 10.385 8.035 1.353 1.00 0.00 O ATOM 564 CG2 THR A 39 9.427 7.202 3.309 1.00 0.00 C ATOM 0 H THR A 39 9.200 11.594 2.930 1.00 0.00 H new ATOM 0 HA THR A 39 8.528 9.393 1.492 1.00 0.00 H new ATOM 0 HB THR A 39 10.846 8.821 3.303 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.824 8.774 0.882 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.200 6.444 3.440 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.003 7.460 4.279 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.642 6.811 2.662 1.00 0.00 H new ATOM 572 N ILE A 40 7.089 8.490 3.443 1.00 0.00 N ATOM 573 CA ILE A 40 5.976 8.350 4.365 1.00 0.00 C ATOM 574 C ILE A 40 6.203 7.119 5.247 1.00 0.00 C ATOM 575 O ILE A 40 7.322 6.866 5.687 1.00 0.00 O ATOM 576 CB ILE A 40 4.650 8.324 3.604 1.00 0.00 C ATOM 577 CG1 ILE A 40 4.603 7.148 2.624 1.00 0.00 C ATOM 578 CG2 ILE A 40 4.392 9.661 2.906 1.00 0.00 C ATOM 579 CD1 ILE A 40 3.625 7.426 1.482 1.00 0.00 C ATOM 0 H ILE A 40 7.198 7.719 2.785 1.00 0.00 H new ATOM 0 HA ILE A 40 5.919 9.213 5.028 1.00 0.00 H new ATOM 0 HB ILE A 40 3.846 8.176 4.325 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.599 6.967 2.219 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.304 6.242 3.151 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.443 9.616 2.372 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.353 10.458 3.649 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.196 9.864 2.199 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.610 6.576 0.800 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.626 7.582 1.889 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.941 8.319 0.942 1.00 0.00 H new ATOM 591 N ASN A 41 5.121 6.390 5.479 1.00 0.00 N ATOM 592 CA ASN A 41 5.188 5.194 6.301 1.00 0.00 C ATOM 593 C ASN A 41 4.901 3.967 5.431 1.00 0.00 C ATOM 594 O ASN A 41 4.195 4.063 4.429 1.00 0.00 O ATOM 595 CB ASN A 41 4.145 5.235 7.419 1.00 0.00 C ATOM 596 CG ASN A 41 4.470 4.209 8.508 1.00 0.00 C ATOM 597 OD1 ASN A 41 4.025 3.073 8.480 1.00 0.00 O ATOM 598 ND2 ASN A 41 5.266 4.672 9.467 1.00 0.00 N ATOM 0 H ASN A 41 4.194 6.605 5.112 1.00 0.00 H new ATOM 0 HA ASN A 41 6.184 5.141 6.740 1.00 0.00 H new ATOM 0 HB2 ASN A 41 4.111 6.234 7.854 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.156 5.033 7.007 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.539 4.065 10.240 1.00 0.00 H new ATOM 0 HD22 ASN A 41 5.603 5.634 9.430 1.00 0.00 H new ATOM 605 N ILE A 42 5.462 2.841 5.848 1.00 0.00 N ATOM 606 CA ILE A 42 5.275 1.598 5.121 1.00 0.00 C ATOM 607 C ILE A 42 4.660 0.553 6.054 1.00 0.00 C ATOM 608 O ILE A 42 5.259 0.189 7.065 1.00 0.00 O ATOM 609 CB ILE A 42 6.590 1.150 4.480 1.00 0.00 C ATOM 610 CG1 ILE A 42 7.321 2.334 3.846 1.00 0.00 C ATOM 611 CG2 ILE A 42 6.352 0.020 3.475 1.00 0.00 C ATOM 612 CD1 ILE A 42 8.838 2.150 3.929 1.00 0.00 C ATOM 0 H ILE A 42 6.046 2.764 6.681 1.00 0.00 H new ATOM 0 HA ILE A 42 4.576 1.741 4.297 1.00 0.00 H new ATOM 0 HB ILE A 42 7.236 0.754 5.264 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.020 2.436 2.803 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.035 3.256 4.352 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.302 -0.280 3.033 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.904 -0.832 3.985 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.681 0.367 2.690 1.00 0.00 H new ATOM 0 HD11 ILE A 42 9.334 3.006 3.471 1.00 0.00 H new ATOM 0 HD12 ILE A 42 9.139 2.073 4.974 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.124 1.240 3.401 1.00 0.00 H new ATOM 624 N THR A 43 3.471 0.100 5.683 1.00 0.00 N ATOM 625 CA THR A 43 2.769 -0.895 6.472 1.00 0.00 C ATOM 626 C THR A 43 1.902 -1.778 5.572 1.00 0.00 C ATOM 627 O THR A 43 1.595 -1.404 4.442 1.00 0.00 O ATOM 628 CB THR A 43 1.971 -0.163 7.556 1.00 0.00 C ATOM 629 OG1 THR A 43 2.852 0.869 7.995 1.00 0.00 O ATOM 630 CG2 THR A 43 1.752 -1.022 8.803 1.00 0.00 C ATOM 0 H THR A 43 2.977 0.405 4.845 1.00 0.00 H new ATOM 0 HA THR A 43 3.467 -1.573 6.963 1.00 0.00 H new ATOM 0 HB THR A 43 1.006 0.143 7.153 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.498 1.740 7.720 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.182 -0.456 9.539 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.201 -1.923 8.532 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.717 -1.300 9.227 1.00 0.00 H new ATOM 638 N TRP A 44 1.531 -2.931 6.109 1.00 0.00 N ATOM 639 CA TRP A 44 0.705 -3.869 5.368 1.00 0.00 C ATOM 640 C TRP A 44 -0.292 -4.496 6.345 1.00 0.00 C ATOM 641 O TRP A 44 0.094 -4.967 7.412 1.00 0.00 O ATOM 642 CB TRP A 44 1.567 -4.906 4.646 1.00 0.00 C ATOM 643 CG TRP A 44 2.623 -4.302 3.720 1.00 0.00 C ATOM 644 CD1 TRP A 44 3.617 -3.461 4.039 1.00 0.00 C ATOM 645 CD2 TRP A 44 2.752 -4.529 2.300 1.00 0.00 C ATOM 646 NE1 TRP A 44 4.372 -3.129 2.932 1.00 0.00 N ATOM 647 CE2 TRP A 44 3.831 -3.799 1.842 1.00 0.00 C ATOM 648 CE3 TRP A 44 1.986 -5.325 1.431 1.00 0.00 C ATOM 649 CZ2 TRP A 44 4.238 -3.793 0.503 1.00 0.00 C ATOM 650 CZ3 TRP A 44 2.405 -5.306 0.097 1.00 0.00 C ATOM 651 CH2 TRP A 44 3.489 -4.577 -0.380 1.00 0.00 C ATOM 0 H TRP A 44 1.787 -3.237 7.048 1.00 0.00 H new ATOM 0 HA TRP A 44 0.148 -3.356 4.584 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.064 -5.530 5.388 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.918 -5.560 4.063 1.00 0.00 H new ATOM 0 HD1 TRP A 44 3.804 -3.090 5.036 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.179 -2.506 2.917 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.140 -5.906 1.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.086 -3.213 0.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.848 -5.899 -0.613 1.00 0.00 H new ATOM 0 HH2 TRP A 44 3.751 -4.616 -1.427 1.00 0.00 H new ATOM 662 N LEU A 45 -1.555 -4.479 5.944 1.00 0.00 N ATOM 663 CA LEU A 45 -2.610 -5.039 6.771 1.00 0.00 C ATOM 664 C LEU A 45 -2.974 -6.431 6.251 1.00 0.00 C ATOM 665 O LEU A 45 -3.422 -6.575 5.114 1.00 0.00 O ATOM 666 CB LEU A 45 -3.799 -4.081 6.844 1.00 0.00 C ATOM 667 CG LEU A 45 -4.277 -3.710 8.251 1.00 0.00 C ATOM 668 CD1 LEU A 45 -4.880 -2.305 8.275 1.00 0.00 C ATOM 669 CD2 LEU A 45 -5.249 -4.759 8.794 1.00 0.00 C ATOM 0 H LEU A 45 -1.871 -4.086 5.057 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.265 -5.161 7.798 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.534 -3.164 6.318 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.634 -4.528 6.304 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.411 -3.699 8.912 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.211 -2.068 9.286 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.128 -1.581 7.960 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.731 -2.263 7.596 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.573 -4.472 9.794 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.116 -4.826 8.137 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.751 -5.728 8.838 1.00 0.00 H new ATOM 681 N GLU A 46 -2.769 -7.421 7.109 1.00 0.00 N ATOM 682 CA GLU A 46 -3.072 -8.795 6.750 1.00 0.00 C ATOM 683 C GLU A 46 -4.424 -9.211 7.330 1.00 0.00 C ATOM 684 O GLU A 46 -4.880 -8.641 8.321 1.00 0.00 O ATOM 685 CB GLU A 46 -1.962 -9.740 7.215 1.00 0.00 C ATOM 686 CG GLU A 46 -1.526 -10.674 6.085 1.00 0.00 C ATOM 687 CD GLU A 46 -2.449 -11.889 5.991 1.00 0.00 C ATOM 688 OE1 GLU A 46 -3.301 -12.092 6.871 1.00 0.00 O ATOM 689 OE2 GLU A 46 -2.262 -12.637 4.957 1.00 0.00 O ATOM 0 H GLU A 46 -2.397 -7.298 8.051 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.130 -8.861 5.664 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.107 -9.159 7.562 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.312 -10.329 8.063 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.533 -10.133 5.139 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.501 -11.004 6.256 1.00 0.00 H new ATOM 697 N ASP A 47 -5.028 -10.203 6.691 1.00 0.00 N ATOM 698 CA ASP A 47 -6.320 -10.700 7.131 1.00 0.00 C ATOM 699 C ASP A 47 -6.433 -12.188 6.789 1.00 0.00 C ATOM 700 O ASP A 47 -6.692 -12.547 5.641 1.00 0.00 O ATOM 701 CB ASP A 47 -7.463 -9.966 6.428 1.00 0.00 C ATOM 702 CG ASP A 47 -8.743 -10.785 6.247 1.00 0.00 C ATOM 703 OD1 ASP A 47 -9.277 -10.896 5.134 1.00 0.00 O ATOM 704 OD2 ASP A 47 -9.199 -11.327 7.325 1.00 0.00 O ATOM 0 H ASP A 47 -4.646 -10.676 5.872 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.395 -10.537 8.206 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.702 -9.067 6.997 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.117 -9.640 5.447 1.00 0.00 H new ATOM 710 N GLY A 48 -6.230 -13.014 7.806 1.00 0.00 N ATOM 711 CA GLY A 48 -6.305 -14.453 7.625 1.00 0.00 C ATOM 712 C GLY A 48 -5.478 -15.181 8.688 1.00 0.00 C ATOM 713 O GLY A 48 -4.784 -16.151 8.381 1.00 0.00 O ATOM 0 H GLY A 48 -6.014 -12.714 8.757 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -7.344 -14.777 7.682 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.942 -14.718 6.632 1.00 0.00 H new ATOM 717 N GLN A 49 -5.578 -14.686 9.913 1.00 0.00 N ATOM 718 CA GLN A 49 -4.846 -15.279 11.021 1.00 0.00 C ATOM 719 C GLN A 49 -3.483 -15.783 10.546 1.00 0.00 C ATOM 720 O GLN A 49 -3.156 -16.956 10.718 1.00 0.00 O ATOM 721 CB GLN A 49 -5.652 -16.406 11.669 1.00 0.00 C ATOM 722 CG GLN A 49 -6.184 -15.982 13.039 1.00 0.00 C ATOM 723 CD GLN A 49 -7.447 -16.765 13.403 1.00 0.00 C ATOM 724 OE1 GLN A 49 -8.360 -16.925 12.610 1.00 0.00 O ATOM 725 NE2 GLN A 49 -7.448 -17.242 14.644 1.00 0.00 N ATOM 0 H GLN A 49 -6.154 -13.882 10.163 1.00 0.00 H new ATOM 0 HA GLN A 49 -4.684 -14.511 11.777 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.484 -16.682 11.021 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.025 -17.291 11.776 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.418 -16.147 13.797 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.403 -14.914 13.034 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.650 -17.071 15.257 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.246 -17.779 14.984 1.00 0.00 H new ATOM 734 N VAL A 50 -2.721 -14.870 9.960 1.00 0.00 N ATOM 735 CA VAL A 50 -1.398 -15.206 9.461 1.00 0.00 C ATOM 736 C VAL A 50 -0.376 -15.039 10.587 1.00 0.00 C ATOM 737 O VAL A 50 -0.367 -14.019 11.276 1.00 0.00 O ATOM 738 CB VAL A 50 -1.073 -14.363 8.227 1.00 0.00 C ATOM 739 CG1 VAL A 50 -0.682 -12.938 8.626 1.00 0.00 C ATOM 740 CG2 VAL A 50 0.023 -15.018 7.387 1.00 0.00 C ATOM 0 H VAL A 50 -2.995 -13.898 9.820 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.363 -16.248 9.143 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.972 -14.305 7.614 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.456 -12.359 7.731 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.508 -12.470 9.162 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.197 -12.969 9.270 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.234 -14.397 6.516 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.928 -15.122 7.986 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.310 -16.003 7.059 1.00 0.00 H new ATOM 750 N MET A 51 0.462 -16.055 10.739 1.00 0.00 N ATOM 751 CA MET A 51 1.486 -16.033 11.768 1.00 0.00 C ATOM 752 C MET A 51 2.570 -15.003 11.442 1.00 0.00 C ATOM 753 O MET A 51 2.805 -14.693 10.274 1.00 0.00 O ATOM 754 CB MET A 51 2.120 -17.420 11.888 1.00 0.00 C ATOM 755 CG MET A 51 1.682 -18.114 13.178 1.00 0.00 C ATOM 756 SD MET A 51 -0.096 -18.039 13.338 1.00 0.00 S ATOM 757 CE MET A 51 -0.237 -16.886 14.693 1.00 0.00 C ATOM 0 H MET A 51 0.452 -16.899 10.166 1.00 0.00 H new ATOM 0 HA MET A 51 1.019 -15.754 12.712 1.00 0.00 H new ATOM 0 HB2 MET A 51 1.837 -18.029 11.029 1.00 0.00 H new ATOM 0 HB3 MET A 51 3.206 -17.330 11.870 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.011 -19.153 13.172 1.00 0.00 H new ATOM 0 HG3 MET A 51 2.153 -17.635 14.036 1.00 0.00 H new ATOM 0 HE1 MET A 51 -0.522 -17.422 15.598 1.00 0.00 H new ATOM 0 HE2 MET A 51 0.721 -16.391 14.851 1.00 0.00 H new ATOM 0 HE3 MET A 51 -0.997 -16.140 14.459 1.00 0.00 H new ATOM 767 N ASP A 52 3.200 -14.502 12.493 1.00 0.00 N ATOM 768 CA ASP A 52 4.253 -13.514 12.333 1.00 0.00 C ATOM 769 C ASP A 52 5.450 -14.159 11.631 1.00 0.00 C ATOM 770 O ASP A 52 6.486 -14.394 12.250 1.00 0.00 O ATOM 771 CB ASP A 52 4.729 -12.990 13.689 1.00 0.00 C ATOM 772 CG ASP A 52 5.867 -11.970 13.626 1.00 0.00 C ATOM 773 OD1 ASP A 52 5.670 -10.817 13.212 1.00 0.00 O ATOM 774 OD2 ASP A 52 7.012 -12.404 14.031 1.00 0.00 O ATOM 0 H ASP A 52 3.002 -14.762 13.459 1.00 0.00 H new ATOM 0 HA ASP A 52 3.851 -12.687 11.747 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.882 -12.535 14.203 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.053 -13.836 14.295 1.00 0.00 H new ATOM 780 N VAL A 53 5.266 -14.426 10.345 1.00 0.00 N ATOM 781 CA VAL A 53 6.318 -15.040 9.551 1.00 0.00 C ATOM 782 C VAL A 53 6.537 -14.220 8.279 1.00 0.00 C ATOM 783 O VAL A 53 7.671 -13.936 7.905 1.00 0.00 O ATOM 784 CB VAL A 53 5.974 -16.503 9.267 1.00 0.00 C ATOM 785 CG1 VAL A 53 6.010 -17.334 10.552 1.00 0.00 C ATOM 786 CG2 VAL A 53 4.615 -16.621 8.576 1.00 0.00 C ATOM 0 H VAL A 53 4.405 -14.229 9.834 1.00 0.00 H new ATOM 0 HA VAL A 53 7.259 -15.042 10.102 1.00 0.00 H new ATOM 0 HB VAL A 53 6.730 -16.900 8.590 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.762 -18.370 10.322 1.00 0.00 H new ATOM 0 HG12 VAL A 53 7.008 -17.288 10.987 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.286 -16.936 11.263 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.394 -17.671 8.385 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.842 -16.198 9.218 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.639 -16.078 7.631 1.00 0.00 H new ATOM 796 N ASP A 54 5.427 -13.859 7.650 1.00 0.00 N ATOM 797 CA ASP A 54 5.481 -13.075 6.427 1.00 0.00 C ATOM 798 C ASP A 54 5.291 -11.596 6.765 1.00 0.00 C ATOM 799 O ASP A 54 4.352 -11.232 7.471 1.00 0.00 O ATOM 800 CB ASP A 54 4.369 -13.486 5.460 1.00 0.00 C ATOM 801 CG ASP A 54 2.948 -13.228 5.959 1.00 0.00 C ATOM 802 OD1 ASP A 54 2.258 -12.314 5.482 1.00 0.00 O ATOM 803 OD2 ASP A 54 2.546 -14.020 6.894 1.00 0.00 O ATOM 0 H ASP A 54 4.486 -14.095 7.964 1.00 0.00 H new ATOM 0 HA ASP A 54 6.449 -13.249 5.958 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.510 -12.952 4.520 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.473 -14.549 5.241 1.00 0.00 H new ATOM 809 N LEU A 55 6.196 -10.781 6.244 1.00 0.00 N ATOM 810 CA LEU A 55 6.138 -9.348 6.482 1.00 0.00 C ATOM 811 C LEU A 55 6.446 -8.607 5.179 1.00 0.00 C ATOM 812 O LEU A 55 7.113 -9.144 4.297 1.00 0.00 O ATOM 813 CB LEU A 55 7.060 -8.961 7.640 1.00 0.00 C ATOM 814 CG LEU A 55 8.150 -7.938 7.317 1.00 0.00 C ATOM 815 CD1 LEU A 55 9.081 -8.457 6.220 1.00 0.00 C ATOM 816 CD2 LEU A 55 7.541 -6.582 6.958 1.00 0.00 C ATOM 0 H LEU A 55 6.974 -11.085 5.658 1.00 0.00 H new ATOM 0 HA LEU A 55 5.135 -9.053 6.789 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.447 -8.565 8.450 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.538 -9.866 8.015 1.00 0.00 H new ATOM 0 HG LEU A 55 8.756 -7.791 8.211 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.847 -7.710 6.009 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.556 -9.380 6.552 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.505 -8.651 5.315 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.338 -5.873 6.733 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.896 -6.692 6.086 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.954 -6.213 7.799 1.00 0.00 H new ATOM 828 N SER A 56 5.942 -7.383 5.101 1.00 0.00 N ATOM 829 CA SER A 56 6.152 -6.563 3.920 1.00 0.00 C ATOM 830 C SER A 56 6.774 -5.223 4.319 1.00 0.00 C ATOM 831 O SER A 56 6.272 -4.543 5.212 1.00 0.00 O ATOM 832 CB SER A 56 4.841 -6.336 3.165 1.00 0.00 C ATOM 833 OG SER A 56 3.702 -6.575 3.988 1.00 0.00 O ATOM 0 H SER A 56 5.390 -6.941 5.836 1.00 0.00 H new ATOM 0 HA SER A 56 6.835 -7.091 3.254 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.810 -5.312 2.792 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.805 -6.993 2.296 1.00 0.00 H new ATOM 0 HG SER A 56 2.901 -6.217 3.550 1.00 0.00 H new ATOM 839 N THR A 57 7.857 -4.884 3.635 1.00 0.00 N ATOM 840 CA THR A 57 8.554 -3.636 3.907 1.00 0.00 C ATOM 841 C THR A 57 8.833 -2.888 2.604 1.00 0.00 C ATOM 842 O THR A 57 8.820 -3.481 1.526 1.00 0.00 O ATOM 843 CB THR A 57 9.820 -3.966 4.702 1.00 0.00 C ATOM 844 OG1 THR A 57 9.615 -5.306 5.140 1.00 0.00 O ATOM 845 CG2 THR A 57 9.921 -3.160 5.999 1.00 0.00 C ATOM 0 H THR A 57 8.269 -5.450 2.894 1.00 0.00 H new ATOM 0 HA THR A 57 7.942 -2.963 4.507 1.00 0.00 H new ATOM 0 HB THR A 57 10.698 -3.774 4.085 1.00 0.00 H new ATOM 0 HG1 THR A 57 10.390 -5.602 5.662 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.836 -3.431 6.525 1.00 0.00 H new ATOM 0 HG22 THR A 57 9.938 -2.095 5.765 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.060 -3.379 6.631 1.00 0.00 H new ATOM 853 N ALA A 58 9.078 -1.593 2.744 1.00 0.00 N ATOM 854 CA ALA A 58 9.362 -0.756 1.591 1.00 0.00 C ATOM 855 C ALA A 58 10.634 0.054 1.852 1.00 0.00 C ATOM 856 O ALA A 58 10.997 0.288 3.002 1.00 0.00 O ATOM 857 CB ALA A 58 8.153 0.137 1.299 1.00 0.00 C ATOM 0 H ALA A 58 9.086 -1.103 3.639 1.00 0.00 H new ATOM 0 HA ALA A 58 9.538 -1.369 0.707 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.365 0.765 0.434 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.283 -0.485 1.091 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.949 0.768 2.164 1.00 0.00 H new ATOM 863 N SER A 59 11.274 0.457 0.764 1.00 0.00 N ATOM 864 CA SER A 59 12.498 1.235 0.861 1.00 0.00 C ATOM 865 C SER A 59 12.214 2.699 0.525 1.00 0.00 C ATOM 866 O SER A 59 11.133 3.031 0.044 1.00 0.00 O ATOM 867 CB SER A 59 13.580 0.677 -0.065 1.00 0.00 C ATOM 868 OG SER A 59 14.891 0.935 0.430 1.00 0.00 O ATOM 0 H SER A 59 10.968 0.260 -0.189 1.00 0.00 H new ATOM 0 HA SER A 59 12.866 1.169 1.885 1.00 0.00 H new ATOM 0 HB2 SER A 59 13.441 -0.398 -0.179 1.00 0.00 H new ATOM 0 HB3 SER A 59 13.473 1.119 -1.056 1.00 0.00 H new ATOM 0 HG SER A 59 15.553 0.562 -0.188 1.00 0.00 H new ATOM 874 N THR A 60 13.207 3.537 0.792 1.00 0.00 N ATOM 875 CA THR A 60 13.077 4.959 0.523 1.00 0.00 C ATOM 876 C THR A 60 13.917 5.350 -0.695 1.00 0.00 C ATOM 877 O THR A 60 14.990 4.791 -0.919 1.00 0.00 O ATOM 878 CB THR A 60 13.461 5.718 1.794 1.00 0.00 C ATOM 879 OG1 THR A 60 12.947 4.909 2.850 1.00 0.00 O ATOM 880 CG2 THR A 60 12.709 7.041 1.937 1.00 0.00 C ATOM 0 H THR A 60 14.103 3.258 1.191 1.00 0.00 H new ATOM 0 HA THR A 60 12.050 5.221 0.269 1.00 0.00 H new ATOM 0 HB THR A 60 14.534 5.911 1.791 1.00 0.00 H new ATOM 0 HG1 THR A 60 13.153 5.327 3.712 1.00 0.00 H new ATOM 0 HG21 THR A 60 13.019 7.539 2.856 1.00 0.00 H new ATOM 0 HG22 THR A 60 12.934 7.681 1.084 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.637 6.848 1.973 1.00 0.00 H new ATOM 888 N THR A 61 13.398 6.307 -1.449 1.00 0.00 N ATOM 889 CA THR A 61 14.087 6.779 -2.639 1.00 0.00 C ATOM 890 C THR A 61 13.995 8.302 -2.739 1.00 0.00 C ATOM 891 O THR A 61 13.083 8.912 -2.179 1.00 0.00 O ATOM 892 CB THR A 61 13.492 6.053 -3.848 1.00 0.00 C ATOM 893 OG1 THR A 61 12.168 5.727 -3.440 1.00 0.00 O ATOM 894 CG2 THR A 61 14.151 4.697 -4.097 1.00 0.00 C ATOM 0 H THR A 61 12.508 6.769 -1.260 1.00 0.00 H new ATOM 0 HA THR A 61 15.152 6.552 -2.597 1.00 0.00 H new ATOM 0 HB THR A 61 13.599 6.677 -4.735 1.00 0.00 H new ATOM 0 HG1 THR A 61 11.741 5.173 -4.127 1.00 0.00 H new ATOM 0 HG21 THR A 61 13.693 4.224 -4.965 1.00 0.00 H new ATOM 0 HG22 THR A 61 15.216 4.838 -4.281 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.015 4.060 -3.223 1.00 0.00 H new ATOM 902 N GLN A 62 14.951 8.877 -3.455 1.00 0.00 N ATOM 903 CA GLN A 62 14.989 10.316 -3.635 1.00 0.00 C ATOM 904 C GLN A 62 14.853 10.670 -5.119 1.00 0.00 C ATOM 905 O GLN A 62 15.523 10.079 -5.964 1.00 0.00 O ATOM 906 CB GLN A 62 16.270 10.910 -3.045 1.00 0.00 C ATOM 907 CG GLN A 62 17.508 10.216 -3.616 1.00 0.00 C ATOM 908 CD GLN A 62 18.591 11.235 -3.977 1.00 0.00 C ATOM 909 OE1 GLN A 62 18.916 12.131 -3.216 1.00 0.00 O ATOM 910 NE2 GLN A 62 19.129 11.049 -5.180 1.00 0.00 N ATOM 0 H GLN A 62 15.706 8.370 -3.917 1.00 0.00 H new ATOM 0 HA GLN A 62 14.146 10.751 -3.099 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.314 11.977 -3.262 1.00 0.00 H new ATOM 0 HB3 GLN A 62 16.258 10.806 -1.960 1.00 0.00 H new ATOM 0 HG2 GLN A 62 17.900 9.506 -2.887 1.00 0.00 H new ATOM 0 HG3 GLN A 62 17.232 9.644 -4.502 1.00 0.00 H new ATOM 0 HE21 GLN A 62 18.811 10.278 -5.767 1.00 0.00 H new ATOM 0 HE22 GLN A 62 19.860 11.677 -5.515 1.00 0.00 H new ATOM 919 N GLU A 63 13.983 11.633 -5.388 1.00 0.00 N ATOM 920 CA GLU A 63 13.752 12.072 -6.752 1.00 0.00 C ATOM 921 C GLU A 63 13.647 13.597 -6.810 1.00 0.00 C ATOM 922 O GLU A 63 12.599 14.137 -7.163 1.00 0.00 O ATOM 923 CB GLU A 63 12.500 11.413 -7.336 1.00 0.00 C ATOM 924 CG GLU A 63 12.642 9.890 -7.357 1.00 0.00 C ATOM 925 CD GLU A 63 11.879 9.284 -8.538 1.00 0.00 C ATOM 926 OE1 GLU A 63 10.991 8.442 -8.337 1.00 0.00 O ATOM 927 OE2 GLU A 63 12.236 9.720 -9.698 1.00 0.00 O ATOM 0 H GLU A 63 13.430 12.121 -4.683 1.00 0.00 H new ATOM 0 HA GLU A 63 14.602 11.764 -7.360 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.628 11.692 -6.745 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.330 11.780 -8.348 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.696 9.620 -7.424 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.265 9.473 -6.423 1.00 0.00 H new ATOM 935 N GLY A 64 14.744 14.248 -6.455 1.00 0.00 N ATOM 936 CA GLY A 64 14.789 15.700 -6.461 1.00 0.00 C ATOM 937 C GLY A 64 13.950 16.279 -5.319 1.00 0.00 C ATOM 938 O GLY A 64 14.347 16.210 -4.157 1.00 0.00 O ATOM 0 H GLY A 64 15.610 13.796 -6.161 1.00 0.00 H new ATOM 0 HA2 GLY A 64 15.822 16.036 -6.365 1.00 0.00 H new ATOM 0 HA3 GLY A 64 14.419 16.075 -7.415 1.00 0.00 H new ATOM 942 N GLU A 65 12.807 16.835 -5.689 1.00 0.00 N ATOM 943 CA GLU A 65 11.910 17.425 -4.710 1.00 0.00 C ATOM 944 C GLU A 65 10.827 16.422 -4.309 1.00 0.00 C ATOM 945 O GLU A 65 9.982 16.716 -3.465 1.00 0.00 O ATOM 946 CB GLU A 65 11.287 18.717 -5.244 1.00 0.00 C ATOM 947 CG GLU A 65 10.463 19.418 -4.162 1.00 0.00 C ATOM 948 CD GLU A 65 10.105 20.845 -4.584 1.00 0.00 C ATOM 949 OE1 GLU A 65 8.921 21.156 -4.773 1.00 0.00 O ATOM 950 OE2 GLU A 65 11.110 21.643 -4.711 1.00 0.00 O ATOM 0 H GLU A 65 12.481 16.890 -6.654 1.00 0.00 H new ATOM 0 HA GLU A 65 12.490 17.679 -3.823 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.073 19.385 -5.597 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.652 18.491 -6.101 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.551 18.852 -3.970 1.00 0.00 H new ATOM 0 HG3 GLU A 65 11.026 19.441 -3.229 1.00 0.00 H new ATOM 958 N LEU A 66 10.886 15.254 -4.934 1.00 0.00 N ATOM 959 CA LEU A 66 9.923 14.204 -4.651 1.00 0.00 C ATOM 960 C LEU A 66 10.593 13.112 -3.818 1.00 0.00 C ATOM 961 O LEU A 66 11.818 13.076 -3.705 1.00 0.00 O ATOM 962 CB LEU A 66 9.295 13.690 -5.949 1.00 0.00 C ATOM 963 CG LEU A 66 8.203 14.570 -6.562 1.00 0.00 C ATOM 964 CD1 LEU A 66 8.763 15.432 -7.695 1.00 0.00 C ATOM 965 CD2 LEU A 66 7.011 13.726 -7.018 1.00 0.00 C ATOM 0 H LEU A 66 11.586 15.013 -5.635 1.00 0.00 H new ATOM 0 HA LEU A 66 9.097 14.595 -4.057 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.087 13.562 -6.687 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.874 12.703 -5.759 1.00 0.00 H new ATOM 0 HG LEU A 66 7.840 15.250 -5.791 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.966 16.047 -8.112 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.552 16.076 -7.307 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.171 14.788 -8.475 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.249 14.375 -7.450 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.340 13.006 -7.767 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.593 13.195 -6.163 1.00 0.00 H new ATOM 977 N ALA A 67 9.763 12.246 -3.257 1.00 0.00 N ATOM 978 CA ALA A 67 10.261 11.154 -2.437 1.00 0.00 C ATOM 979 C ALA A 67 9.569 9.854 -2.854 1.00 0.00 C ATOM 980 O ALA A 67 8.349 9.736 -2.759 1.00 0.00 O ATOM 981 CB ALA A 67 10.041 11.484 -0.959 1.00 0.00 C ATOM 0 H ALA A 67 8.748 12.278 -3.354 1.00 0.00 H new ATOM 0 HA ALA A 67 11.333 11.020 -2.585 1.00 0.00 H new ATOM 0 HB1 ALA A 67 10.414 10.665 -0.344 1.00 0.00 H new ATOM 0 HB2 ALA A 67 10.576 12.400 -0.707 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.976 11.622 -0.772 1.00 0.00 H new ATOM 987 N SER A 68 10.380 8.908 -3.305 1.00 0.00 N ATOM 988 CA SER A 68 9.863 7.621 -3.734 1.00 0.00 C ATOM 989 C SER A 68 9.959 6.609 -2.591 1.00 0.00 C ATOM 990 O SER A 68 10.486 6.921 -1.524 1.00 0.00 O ATOM 991 CB SER A 68 10.618 7.106 -4.962 1.00 0.00 C ATOM 992 OG SER A 68 10.400 5.714 -5.179 1.00 0.00 O ATOM 0 H SER A 68 11.392 9.008 -3.382 1.00 0.00 H new ATOM 0 HA SER A 68 8.816 7.749 -4.010 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.301 7.664 -5.843 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.685 7.290 -4.835 1.00 0.00 H new ATOM 0 HG SER A 68 10.898 5.425 -5.972 1.00 0.00 H new ATOM 998 N THR A 69 9.440 5.418 -2.852 1.00 0.00 N ATOM 999 CA THR A 69 9.460 4.360 -1.856 1.00 0.00 C ATOM 1000 C THR A 69 9.042 3.029 -2.486 1.00 0.00 C ATOM 1001 O THR A 69 7.934 2.901 -3.002 1.00 0.00 O ATOM 1002 CB THR A 69 8.564 4.787 -0.693 1.00 0.00 C ATOM 1003 OG1 THR A 69 9.440 5.497 0.178 1.00 0.00 O ATOM 1004 CG2 THR A 69 8.087 3.600 0.147 1.00 0.00 C ATOM 0 H THR A 69 9.004 5.162 -3.738 1.00 0.00 H new ATOM 0 HA THR A 69 10.466 4.201 -1.468 1.00 0.00 H new ATOM 0 HB THR A 69 7.701 5.327 -1.081 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.673 6.360 -0.225 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.455 3.959 0.959 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.517 2.915 -0.481 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.949 3.078 0.562 1.00 0.00 H new ATOM 1012 N GLN A 70 9.956 2.070 -2.425 1.00 0.00 N ATOM 1013 CA GLN A 70 9.699 0.753 -2.982 1.00 0.00 C ATOM 1014 C GLN A 70 9.202 -0.198 -1.890 1.00 0.00 C ATOM 1015 O GLN A 70 9.956 -0.558 -0.987 1.00 0.00 O ATOM 1016 CB GLN A 70 10.945 0.195 -3.671 1.00 0.00 C ATOM 1017 CG GLN A 70 10.665 -1.180 -4.280 1.00 0.00 C ATOM 1018 CD GLN A 70 11.732 -1.548 -5.313 1.00 0.00 C ATOM 1019 OE1 GLN A 70 12.909 -1.672 -5.011 1.00 0.00 O ATOM 1020 NE2 GLN A 70 11.258 -1.720 -6.545 1.00 0.00 N ATOM 0 H GLN A 70 10.876 2.180 -1.998 1.00 0.00 H new ATOM 0 HA GLN A 70 8.919 0.846 -3.738 1.00 0.00 H new ATOM 0 HB2 GLN A 70 11.272 0.882 -4.451 1.00 0.00 H new ATOM 0 HB3 GLN A 70 11.760 0.119 -2.951 1.00 0.00 H new ATOM 0 HG2 GLN A 70 10.641 -1.933 -3.492 1.00 0.00 H new ATOM 0 HG3 GLN A 70 9.682 -1.180 -4.751 1.00 0.00 H new ATOM 0 HE21 GLN A 70 10.262 -1.601 -6.729 1.00 0.00 H new ATOM 0 HE22 GLN A 70 11.891 -1.971 -7.305 1.00 0.00 H new ATOM 1029 N SER A 71 7.939 -0.577 -2.008 1.00 0.00 N ATOM 1030 CA SER A 71 7.335 -1.479 -1.043 1.00 0.00 C ATOM 1031 C SER A 71 7.427 -2.921 -1.544 1.00 0.00 C ATOM 1032 O SER A 71 7.235 -3.184 -2.731 1.00 0.00 O ATOM 1033 CB SER A 71 5.876 -1.103 -0.775 1.00 0.00 C ATOM 1034 OG SER A 71 5.519 0.129 -1.396 1.00 0.00 O ATOM 0 H SER A 71 7.317 -0.276 -2.758 1.00 0.00 H new ATOM 0 HA SER A 71 7.883 -1.392 -0.105 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.224 -1.896 -1.142 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.713 -1.028 0.300 1.00 0.00 H new ATOM 0 HG SER A 71 4.701 0.478 -0.984 1.00 0.00 H new ATOM 1040 N GLU A 72 7.723 -3.820 -0.617 1.00 0.00 N ATOM 1041 CA GLU A 72 7.844 -5.229 -0.949 1.00 0.00 C ATOM 1042 C GLU A 72 7.128 -6.086 0.096 1.00 0.00 C ATOM 1043 O GLU A 72 6.951 -5.658 1.237 1.00 0.00 O ATOM 1044 CB GLU A 72 9.313 -5.637 -1.081 1.00 0.00 C ATOM 1045 CG GLU A 72 10.187 -4.433 -1.438 1.00 0.00 C ATOM 1046 CD GLU A 72 10.761 -3.782 -0.177 1.00 0.00 C ATOM 1047 OE1 GLU A 72 11.110 -2.592 -0.199 1.00 0.00 O ATOM 1048 OE2 GLU A 72 10.838 -4.557 0.850 1.00 0.00 O ATOM 0 H GLU A 72 7.883 -3.599 0.366 1.00 0.00 H new ATOM 0 HA GLU A 72 7.366 -5.396 -1.914 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.658 -6.076 -0.145 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.413 -6.404 -1.849 1.00 0.00 H new ATOM 0 HG2 GLU A 72 11.000 -4.750 -2.091 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.598 -3.703 -1.993 1.00 0.00 H new ATOM 1056 N LEU A 73 6.736 -7.277 -0.329 1.00 0.00 N ATOM 1057 CA LEU A 73 6.045 -8.197 0.558 1.00 0.00 C ATOM 1058 C LEU A 73 6.600 -9.608 0.356 1.00 0.00 C ATOM 1059 O LEU A 73 6.850 -10.025 -0.774 1.00 0.00 O ATOM 1060 CB LEU A 73 4.531 -8.098 0.357 1.00 0.00 C ATOM 1061 CG LEU A 73 3.670 -8.899 1.335 1.00 0.00 C ATOM 1062 CD1 LEU A 73 2.345 -8.185 1.614 1.00 0.00 C ATOM 1063 CD2 LEU A 73 3.457 -10.329 0.834 1.00 0.00 C ATOM 0 H LEU A 73 6.883 -7.627 -1.276 1.00 0.00 H new ATOM 0 HA LEU A 73 6.225 -7.930 1.599 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.243 -7.049 0.426 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.297 -8.427 -0.655 1.00 0.00 H new ATOM 0 HG LEU A 73 4.204 -8.966 2.283 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.753 -8.777 2.312 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.544 -7.205 2.047 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.793 -8.065 0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.842 -10.877 1.548 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.956 -10.305 -0.134 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.422 -10.826 0.730 1.00 0.00 H new ATOM 1075 N THR A 74 6.777 -10.305 1.469 1.00 0.00 N ATOM 1076 CA THR A 74 7.299 -11.660 1.429 1.00 0.00 C ATOM 1077 C THR A 74 6.501 -12.566 2.369 1.00 0.00 C ATOM 1078 O THR A 74 6.477 -12.343 3.578 1.00 0.00 O ATOM 1079 CB THR A 74 8.791 -11.603 1.759 1.00 0.00 C ATOM 1080 OG1 THR A 74 9.092 -12.913 2.236 1.00 0.00 O ATOM 1081 CG2 THR A 74 9.091 -10.694 2.952 1.00 0.00 C ATOM 0 H THR A 74 6.568 -9.956 2.404 1.00 0.00 H new ATOM 0 HA THR A 74 7.189 -12.097 0.437 1.00 0.00 H new ATOM 0 HB THR A 74 9.343 -11.252 0.887 1.00 0.00 H new ATOM 0 HG1 THR A 74 10.042 -12.965 2.472 1.00 0.00 H new ATOM 0 HG21 THR A 74 10.164 -10.689 3.145 1.00 0.00 H new ATOM 0 HG22 THR A 74 8.757 -9.680 2.730 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.566 -11.064 3.833 1.00 0.00 H new ATOM 1089 N LEU A 75 5.871 -13.573 1.779 1.00 0.00 N ATOM 1090 CA LEU A 75 5.077 -14.512 2.548 1.00 0.00 C ATOM 1091 C LEU A 75 5.233 -15.913 1.952 1.00 0.00 C ATOM 1092 O LEU A 75 5.692 -16.063 0.822 1.00 0.00 O ATOM 1093 CB LEU A 75 3.623 -14.039 2.636 1.00 0.00 C ATOM 1094 CG LEU A 75 2.664 -14.624 1.595 1.00 0.00 C ATOM 1095 CD1 LEU A 75 1.966 -15.874 2.134 1.00 0.00 C ATOM 1096 CD2 LEU A 75 1.664 -13.568 1.119 1.00 0.00 C ATOM 0 H LEU A 75 5.896 -13.757 0.776 1.00 0.00 H new ATOM 0 HA LEU A 75 5.435 -14.561 3.576 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.242 -14.281 3.628 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.609 -12.953 2.545 1.00 0.00 H new ATOM 0 HG LEU A 75 3.247 -14.931 0.726 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.291 -16.269 1.375 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.712 -16.628 2.384 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.397 -15.616 3.027 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.994 -14.008 0.380 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.082 -13.209 1.968 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.202 -12.734 0.669 1.00 0.00 H new ATOM 1108 N SER A 76 4.841 -16.903 2.740 1.00 0.00 N ATOM 1109 CA SER A 76 4.933 -18.287 2.306 1.00 0.00 C ATOM 1110 C SER A 76 3.689 -18.665 1.498 1.00 0.00 C ATOM 1111 O SER A 76 2.565 -18.399 1.922 1.00 0.00 O ATOM 1112 CB SER A 76 5.097 -19.231 3.499 1.00 0.00 C ATOM 1113 OG SER A 76 5.344 -20.572 3.089 1.00 0.00 O ATOM 0 H SER A 76 4.459 -16.774 3.677 1.00 0.00 H new ATOM 0 HA SER A 76 5.815 -18.388 1.674 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.921 -18.886 4.124 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.197 -19.200 4.112 1.00 0.00 H new ATOM 0 HG SER A 76 5.444 -21.143 3.879 1.00 0.00 H new ATOM 1119 N GLN A 77 3.932 -19.278 0.350 1.00 0.00 N ATOM 1120 CA GLN A 77 2.847 -19.695 -0.522 1.00 0.00 C ATOM 1121 C GLN A 77 1.847 -20.557 0.252 1.00 0.00 C ATOM 1122 O GLN A 77 0.658 -20.564 -0.059 1.00 0.00 O ATOM 1123 CB GLN A 77 3.382 -20.440 -1.746 1.00 0.00 C ATOM 1124 CG GLN A 77 2.869 -21.881 -1.777 1.00 0.00 C ATOM 1125 CD GLN A 77 3.852 -22.827 -1.086 1.00 0.00 C ATOM 1126 OE1 GLN A 77 3.941 -24.006 -1.392 1.00 0.00 O ATOM 1127 NE2 GLN A 77 4.585 -22.249 -0.138 1.00 0.00 N ATOM 0 H GLN A 77 4.866 -19.497 0.002 1.00 0.00 H new ATOM 0 HA GLN A 77 2.330 -18.804 -0.879 1.00 0.00 H new ATOM 0 HB2 GLN A 77 3.076 -19.921 -2.655 1.00 0.00 H new ATOM 0 HB3 GLN A 77 4.472 -20.438 -1.730 1.00 0.00 H new ATOM 0 HG2 GLN A 77 1.898 -21.936 -1.284 1.00 0.00 H new ATOM 0 HG3 GLN A 77 2.721 -22.196 -2.810 1.00 0.00 H new ATOM 0 HE21 GLN A 77 4.461 -21.258 0.069 1.00 0.00 H new ATOM 0 HE22 GLN A 77 5.271 -22.797 0.382 1.00 0.00 H new ATOM 1136 N LYS A 78 2.367 -21.263 1.245 1.00 0.00 N ATOM 1137 CA LYS A 78 1.535 -22.127 2.066 1.00 0.00 C ATOM 1138 C LYS A 78 0.367 -21.315 2.630 1.00 0.00 C ATOM 1139 O LYS A 78 -0.793 -21.685 2.454 1.00 0.00 O ATOM 1140 CB LYS A 78 2.377 -22.819 3.139 1.00 0.00 C ATOM 1141 CG LYS A 78 2.276 -24.342 3.017 1.00 0.00 C ATOM 1142 CD LYS A 78 2.778 -25.028 4.288 1.00 0.00 C ATOM 1143 CE LYS A 78 2.264 -26.467 4.373 1.00 0.00 C ATOM 1144 NZ LYS A 78 2.647 -27.079 5.666 1.00 0.00 N ATOM 0 H LYS A 78 3.355 -21.255 1.500 1.00 0.00 H new ATOM 0 HA LYS A 78 1.107 -22.928 1.464 1.00 0.00 H new ATOM 0 HB2 LYS A 78 3.418 -22.511 3.044 1.00 0.00 H new ATOM 0 HB3 LYS A 78 2.041 -22.507 4.128 1.00 0.00 H new ATOM 0 HG2 LYS A 78 1.241 -24.628 2.830 1.00 0.00 H new ATOM 0 HG3 LYS A 78 2.860 -24.681 2.161 1.00 0.00 H new ATOM 0 HD2 LYS A 78 3.868 -25.026 4.301 1.00 0.00 H new ATOM 0 HD3 LYS A 78 2.448 -24.468 5.163 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.179 -26.479 4.265 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.672 -27.054 3.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.290 -28.055 5.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 3.683 -27.085 5.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.237 -26.527 6.446 1.00 0.00 H new ATOM 1158 N HIS A 79 0.713 -20.224 3.296 1.00 0.00 N ATOM 1159 CA HIS A 79 -0.292 -19.359 3.889 1.00 0.00 C ATOM 1160 C HIS A 79 -1.271 -18.894 2.808 1.00 0.00 C ATOM 1161 O HIS A 79 -2.470 -18.783 3.055 1.00 0.00 O ATOM 1162 CB HIS A 79 0.363 -18.194 4.634 1.00 0.00 C ATOM 1163 CG HIS A 79 0.483 -18.408 6.124 1.00 0.00 C ATOM 1164 ND1 HIS A 79 1.480 -17.825 6.886 1.00 0.00 N ATOM 1165 CD2 HIS A 79 -0.278 -19.144 6.982 1.00 0.00 C ATOM 1166 CE1 HIS A 79 1.317 -18.202 8.145 1.00 0.00 C ATOM 1167 NE2 HIS A 79 0.227 -19.021 8.203 1.00 0.00 N ATOM 0 H HIS A 79 1.676 -19.919 3.438 1.00 0.00 H new ATOM 0 HA HIS A 79 -0.862 -19.916 4.633 1.00 0.00 H new ATOM 0 HB2 HIS A 79 1.357 -18.025 4.220 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -0.216 -17.289 4.453 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -1.146 -19.729 6.714 1.00 0.00 H new ATOM 0 HE1 HIS A 79 1.938 -17.912 8.980 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -0.139 -19.465 9.045 1.00 0.00 H new ATOM 1175 N TRP A 80 -0.722 -18.636 1.629 1.00 0.00 N ATOM 1176 CA TRP A 80 -1.530 -18.187 0.509 1.00 0.00 C ATOM 1177 C TRP A 80 -2.553 -19.281 0.195 1.00 0.00 C ATOM 1178 O TRP A 80 -3.691 -18.987 -0.167 1.00 0.00 O ATOM 1179 CB TRP A 80 -0.652 -17.828 -0.692 1.00 0.00 C ATOM 1180 CG TRP A 80 -1.434 -17.309 -1.900 1.00 0.00 C ATOM 1181 CD1 TRP A 80 -2.105 -18.019 -2.817 1.00 0.00 C ATOM 1182 CD2 TRP A 80 -1.598 -15.929 -2.290 1.00 0.00 C ATOM 1183 NE1 TRP A 80 -2.687 -17.204 -3.765 1.00 0.00 N ATOM 1184 CE2 TRP A 80 -2.369 -15.892 -3.434 1.00 0.00 C ATOM 1185 CE3 TRP A 80 -1.112 -14.752 -1.695 1.00 0.00 C ATOM 1186 CZ2 TRP A 80 -2.722 -14.700 -4.081 1.00 0.00 C ATOM 1187 CZ3 TRP A 80 -1.472 -13.571 -2.354 1.00 0.00 C ATOM 1188 CH2 TRP A 80 -2.248 -13.516 -3.506 1.00 0.00 C ATOM 0 H TRP A 80 0.273 -18.730 1.426 1.00 0.00 H new ATOM 0 HA TRP A 80 -2.065 -17.272 0.763 1.00 0.00 H new ATOM 0 HB2 TRP A 80 0.071 -17.071 -0.387 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -0.084 -18.709 -0.991 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -2.181 -19.096 -2.814 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -3.247 -17.508 -4.562 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -0.508 -14.758 -0.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -3.327 -14.696 -4.975 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -1.123 -12.637 -1.939 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -2.484 -12.563 -3.955 1.00 0.00 H new ATOM 1199 N LEU A 81 -2.112 -20.521 0.346 1.00 0.00 N ATOM 1200 CA LEU A 81 -2.974 -21.660 0.084 1.00 0.00 C ATOM 1201 C LEU A 81 -4.078 -21.712 1.141 1.00 0.00 C ATOM 1202 O LEU A 81 -5.212 -22.083 0.841 1.00 0.00 O ATOM 1203 CB LEU A 81 -2.150 -22.947 -0.009 1.00 0.00 C ATOM 1204 CG LEU A 81 -2.838 -24.136 -0.681 1.00 0.00 C ATOM 1205 CD1 LEU A 81 -1.976 -24.698 -1.815 1.00 0.00 C ATOM 1206 CD2 LEU A 81 -3.205 -25.210 0.345 1.00 0.00 C ATOM 0 H LEU A 81 -1.168 -20.762 0.647 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.463 -21.552 -0.884 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.232 -22.728 -0.554 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.860 -23.243 0.999 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.769 -23.785 -1.126 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.488 -25.543 -2.277 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.808 -23.923 -2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.018 -25.029 -1.414 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.693 -26.044 -0.160 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.301 -25.564 0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.883 -24.788 1.087 1.00 0.00 H new ATOM 1218 N SER A 82 -3.708 -21.335 2.357 1.00 0.00 N ATOM 1219 CA SER A 82 -4.653 -21.335 3.460 1.00 0.00 C ATOM 1220 C SER A 82 -5.569 -20.112 3.365 1.00 0.00 C ATOM 1221 O SER A 82 -6.346 -19.841 4.277 1.00 0.00 O ATOM 1222 CB SER A 82 -3.927 -21.349 4.807 1.00 0.00 C ATOM 1223 OG SER A 82 -4.826 -21.541 5.896 1.00 0.00 O ATOM 0 H SER A 82 -2.767 -21.028 2.602 1.00 0.00 H new ATOM 0 HA SER A 82 -5.257 -22.240 3.393 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.181 -22.144 4.808 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.392 -20.409 4.940 1.00 0.00 H new ATOM 0 HG SER A 82 -5.656 -21.049 5.726 1.00 0.00 H new ATOM 1229 N ASP A 83 -5.446 -19.407 2.249 1.00 0.00 N ATOM 1230 CA ASP A 83 -6.253 -18.221 2.022 1.00 0.00 C ATOM 1231 C ASP A 83 -5.806 -17.115 2.980 1.00 0.00 C ATOM 1232 O ASP A 83 -5.387 -17.392 4.102 1.00 0.00 O ATOM 1233 CB ASP A 83 -7.734 -18.502 2.283 1.00 0.00 C ATOM 1234 CG ASP A 83 -8.599 -17.261 2.510 1.00 0.00 C ATOM 1235 OD1 ASP A 83 -9.376 -16.854 1.634 1.00 0.00 O ATOM 1236 OD2 ASP A 83 -8.448 -16.695 3.661 1.00 0.00 O ATOM 0 H ASP A 83 -4.800 -19.635 1.493 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.122 -17.919 0.983 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.137 -19.057 1.436 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.817 -19.149 3.157 1.00 0.00 H new ATOM 1242 N ARG A 84 -5.913 -15.882 2.502 1.00 0.00 N ATOM 1243 CA ARG A 84 -5.524 -14.733 3.301 1.00 0.00 C ATOM 1244 C ARG A 84 -5.779 -13.438 2.529 1.00 0.00 C ATOM 1245 O ARG A 84 -6.170 -13.474 1.363 1.00 0.00 O ATOM 1246 CB ARG A 84 -4.046 -14.805 3.689 1.00 0.00 C ATOM 1247 CG ARG A 84 -3.872 -15.417 5.081 1.00 0.00 C ATOM 1248 CD ARG A 84 -2.812 -16.520 5.067 1.00 0.00 C ATOM 1249 NE ARG A 84 -3.407 -17.800 5.511 1.00 0.00 N ATOM 1250 CZ ARG A 84 -3.396 -18.236 6.788 1.00 0.00 C ATOM 1251 NH1 ARG A 84 -2.817 -17.499 7.761 1.00 0.00 N ATOM 1252 NH2 ARG A 84 -3.957 -19.397 7.073 1.00 0.00 N ATOM 0 H ARG A 84 -6.264 -15.655 1.571 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.127 -14.743 4.209 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.503 -15.401 2.956 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -3.613 -13.805 3.671 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.585 -14.641 5.790 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -4.823 -15.826 5.424 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.402 -16.629 4.063 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.984 -16.248 5.722 1.00 0.00 H new ATOM 0 HE ARG A 84 -3.853 -18.389 4.808 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -2.383 -16.604 7.533 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -2.814 -17.837 8.723 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.390 -19.950 6.333 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -3.957 -19.741 8.033 1.00 0.00 H new ATOM 1266 N THR A 85 -5.548 -12.325 3.209 1.00 0.00 N ATOM 1267 CA THR A 85 -5.748 -11.020 2.601 1.00 0.00 C ATOM 1268 C THR A 85 -4.579 -10.091 2.935 1.00 0.00 C ATOM 1269 O THR A 85 -4.422 -9.674 4.082 1.00 0.00 O ATOM 1270 CB THR A 85 -7.103 -10.484 3.066 1.00 0.00 C ATOM 1271 OG1 THR A 85 -7.980 -10.768 1.979 1.00 0.00 O ATOM 1272 CG2 THR A 85 -7.124 -8.959 3.174 1.00 0.00 C ATOM 0 H THR A 85 -5.224 -12.300 4.176 1.00 0.00 H new ATOM 0 HA THR A 85 -5.766 -11.089 1.513 1.00 0.00 H new ATOM 0 HB THR A 85 -7.353 -10.919 4.034 1.00 0.00 H new ATOM 0 HG1 THR A 85 -7.880 -11.706 1.715 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.109 -8.631 3.508 1.00 0.00 H new ATOM 0 HG22 THR A 85 -6.371 -8.635 3.892 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.907 -8.522 2.199 1.00 0.00 H new ATOM 1280 N TYR A 86 -3.790 -9.794 1.913 1.00 0.00 N ATOM 1281 CA TYR A 86 -2.641 -8.922 2.084 1.00 0.00 C ATOM 1282 C TYR A 86 -2.876 -7.567 1.416 1.00 0.00 C ATOM 1283 O TYR A 86 -3.394 -7.501 0.302 1.00 0.00 O ATOM 1284 CB TYR A 86 -1.471 -9.624 1.390 1.00 0.00 C ATOM 1285 CG TYR A 86 -1.708 -11.111 1.122 1.00 0.00 C ATOM 1286 CD1 TYR A 86 -2.505 -11.506 0.068 1.00 0.00 C ATOM 1287 CD2 TYR A 86 -1.125 -12.060 1.938 1.00 0.00 C ATOM 1288 CE1 TYR A 86 -2.727 -12.906 -0.184 1.00 0.00 C ATOM 1289 CE2 TYR A 86 -1.348 -13.460 1.689 1.00 0.00 C ATOM 1290 CZ TYR A 86 -2.138 -13.815 0.639 1.00 0.00 C ATOM 1291 OH TYR A 86 -2.350 -15.136 0.402 1.00 0.00 O ATOM 0 H TYR A 86 -3.924 -10.142 0.964 1.00 0.00 H new ATOM 0 HA TYR A 86 -2.452 -8.741 3.142 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -1.270 -9.122 0.443 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -0.578 -9.514 2.005 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -2.963 -10.764 -0.569 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -0.501 -11.752 2.764 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -3.347 -13.227 -1.008 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -0.899 -14.212 2.321 1.00 0.00 H new ATOM 0 HH TYR A 86 -2.251 -15.316 -0.556 1.00 0.00 H new ATOM 1301 N THR A 87 -2.485 -6.518 2.124 1.00 0.00 N ATOM 1302 CA THR A 87 -2.649 -5.167 1.612 1.00 0.00 C ATOM 1303 C THR A 87 -1.536 -4.258 2.143 1.00 0.00 C ATOM 1304 O THR A 87 -1.346 -4.149 3.354 1.00 0.00 O ATOM 1305 CB THR A 87 -4.053 -4.687 1.981 1.00 0.00 C ATOM 1306 OG1 THR A 87 -4.779 -5.892 2.221 1.00 0.00 O ATOM 1307 CG2 THR A 87 -4.781 -4.044 0.800 1.00 0.00 C ATOM 0 H THR A 87 -2.055 -6.575 3.047 1.00 0.00 H new ATOM 0 HA THR A 87 -2.558 -5.142 0.526 1.00 0.00 H new ATOM 0 HB THR A 87 -3.988 -3.972 2.801 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.702 -5.674 2.468 1.00 0.00 H new ATOM 0 HG21 THR A 87 -5.773 -3.721 1.116 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.214 -3.182 0.448 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.876 -4.770 -0.008 1.00 0.00 H new ATOM 1315 N CYS A 88 -0.835 -3.629 1.211 1.00 0.00 N ATOM 1316 CA CYS A 88 0.250 -2.733 1.571 1.00 0.00 C ATOM 1317 C CYS A 88 -0.344 -1.357 1.874 1.00 0.00 C ATOM 1318 O CYS A 88 -0.627 -0.583 0.961 1.00 0.00 O ATOM 1319 CB CYS A 88 1.314 -2.666 0.475 1.00 0.00 C ATOM 1320 SG CYS A 88 0.925 -1.531 -0.906 1.00 0.00 S ATOM 0 H CYS A 88 -0.997 -3.722 0.208 1.00 0.00 H new ATOM 0 HA CYS A 88 0.759 -3.111 2.458 1.00 0.00 H new ATOM 0 HB2 CYS A 88 2.259 -2.359 0.924 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.464 -3.668 0.072 1.00 0.00 H new ATOM 1325 N GLN A 89 -0.514 -1.091 3.162 1.00 0.00 N ATOM 1326 CA GLN A 89 -1.068 0.180 3.597 1.00 0.00 C ATOM 1327 C GLN A 89 0.047 1.209 3.783 1.00 0.00 C ATOM 1328 O GLN A 89 0.756 1.190 4.790 1.00 0.00 O ATOM 1329 CB GLN A 89 -1.880 0.011 4.883 1.00 0.00 C ATOM 1330 CG GLN A 89 -2.788 1.221 5.122 1.00 0.00 C ATOM 1331 CD GLN A 89 -3.411 1.172 6.517 1.00 0.00 C ATOM 1332 OE1 GLN A 89 -4.581 0.876 6.692 1.00 0.00 O ATOM 1333 NE2 GLN A 89 -2.567 1.477 7.498 1.00 0.00 N ATOM 0 H GLN A 89 -0.278 -1.734 3.918 1.00 0.00 H new ATOM 0 HA GLN A 89 -1.745 0.544 2.824 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -2.484 -0.894 4.820 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -1.205 -0.115 5.730 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.213 2.140 5.009 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -3.576 1.243 4.369 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -1.599 1.716 7.282 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -2.887 1.472 8.466 1.00 0.00 H new ATOM 1342 N VAL A 90 0.169 2.086 2.797 1.00 0.00 N ATOM 1343 CA VAL A 90 1.187 3.123 2.840 1.00 0.00 C ATOM 1344 C VAL A 90 0.587 4.397 3.440 1.00 0.00 C ATOM 1345 O VAL A 90 -0.431 4.892 2.961 1.00 0.00 O ATOM 1346 CB VAL A 90 1.773 3.339 1.442 1.00 0.00 C ATOM 1347 CG1 VAL A 90 2.324 4.759 1.293 1.00 0.00 C ATOM 1348 CG2 VAL A 90 2.850 2.297 1.133 1.00 0.00 C ATOM 0 H VAL A 90 -0.420 2.100 1.964 1.00 0.00 H new ATOM 0 HA VAL A 90 2.014 2.820 3.482 1.00 0.00 H new ATOM 0 HB VAL A 90 0.969 3.214 0.717 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.734 4.887 0.291 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.521 5.479 1.451 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.109 4.924 2.031 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.250 2.472 0.134 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.654 2.376 1.865 1.00 0.00 H new ATOM 0 HG23 VAL A 90 2.414 1.299 1.179 1.00 0.00 H new ATOM 1358 N THR A 91 1.245 4.889 4.480 1.00 0.00 N ATOM 1359 CA THR A 91 0.790 6.095 5.151 1.00 0.00 C ATOM 1360 C THR A 91 1.585 7.309 4.663 1.00 0.00 C ATOM 1361 O THR A 91 2.579 7.161 3.955 1.00 0.00 O ATOM 1362 CB THR A 91 0.897 5.865 6.659 1.00 0.00 C ATOM 1363 OG1 THR A 91 -0.415 6.136 7.145 1.00 0.00 O ATOM 1364 CG2 THR A 91 1.773 6.912 7.351 1.00 0.00 C ATOM 0 H THR A 91 2.089 4.474 4.874 1.00 0.00 H new ATOM 0 HA THR A 91 -0.252 6.311 4.914 1.00 0.00 H new ATOM 0 HB THR A 91 1.303 4.871 6.846 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.437 6.009 8.117 1.00 0.00 H new ATOM 0 HG21 THR A 91 1.815 6.702 8.420 1.00 0.00 H new ATOM 0 HG22 THR A 91 2.780 6.877 6.934 1.00 0.00 H new ATOM 0 HG23 THR A 91 1.349 7.904 7.192 1.00 0.00 H new ATOM 1372 N TYR A 92 1.113 8.481 5.060 1.00 0.00 N ATOM 1373 CA TYR A 92 1.767 9.720 4.672 1.00 0.00 C ATOM 1374 C TYR A 92 1.668 10.764 5.785 1.00 0.00 C ATOM 1375 O TYR A 92 0.780 10.692 6.632 1.00 0.00 O ATOM 1376 CB TYR A 92 1.010 10.230 3.444 1.00 0.00 C ATOM 1377 CG TYR A 92 1.064 9.283 2.244 1.00 0.00 C ATOM 1378 CD1 TYR A 92 0.446 8.049 2.308 1.00 0.00 C ATOM 1379 CD2 TYR A 92 1.731 9.660 1.095 1.00 0.00 C ATOM 1380 CE1 TYR A 92 0.496 7.159 1.178 1.00 0.00 C ATOM 1381 CE2 TYR A 92 1.781 8.768 -0.036 1.00 0.00 C ATOM 1382 CZ TYR A 92 1.161 7.561 0.063 1.00 0.00 C ATOM 1383 OH TYR A 92 1.209 6.720 -1.004 1.00 0.00 O ATOM 0 H TYR A 92 0.286 8.600 5.646 1.00 0.00 H new ATOM 0 HA TYR A 92 2.824 9.548 4.471 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -0.032 10.397 3.716 1.00 0.00 H new ATOM 0 HB3 TYR A 92 1.422 11.196 3.151 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -0.075 7.752 3.206 1.00 0.00 H new ATOM 0 HD2 TYR A 92 2.215 10.624 1.044 1.00 0.00 H new ATOM 0 HE1 TYR A 92 0.015 6.193 1.215 1.00 0.00 H new ATOM 0 HE2 TYR A 92 2.298 9.051 -0.941 1.00 0.00 H new ATOM 0 HH TYR A 92 1.261 7.243 -1.831 1.00 0.00 H new ATOM 1393 N GLN A 93 2.594 11.712 5.749 1.00 0.00 N ATOM 1394 CA GLN A 93 2.622 12.770 6.744 1.00 0.00 C ATOM 1395 C GLN A 93 1.222 13.355 6.936 1.00 0.00 C ATOM 1396 O GLN A 93 0.918 13.913 7.990 1.00 0.00 O ATOM 1397 CB GLN A 93 3.624 13.859 6.359 1.00 0.00 C ATOM 1398 CG GLN A 93 3.422 14.300 4.908 1.00 0.00 C ATOM 1399 CD GLN A 93 2.729 15.663 4.841 1.00 0.00 C ATOM 1400 OE1 GLN A 93 2.776 16.459 5.765 1.00 0.00 O ATOM 1401 NE2 GLN A 93 2.082 15.886 3.702 1.00 0.00 N ATOM 0 H GLN A 93 3.331 11.769 5.046 1.00 0.00 H new ATOM 0 HA GLN A 93 2.948 12.342 7.692 1.00 0.00 H new ATOM 0 HB2 GLN A 93 3.509 14.716 7.023 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.640 13.487 6.492 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.386 14.353 4.403 1.00 0.00 H new ATOM 0 HG3 GLN A 93 2.825 13.558 4.378 1.00 0.00 H new ATOM 0 HE21 GLN A 93 2.082 15.177 2.968 1.00 0.00 H new ATOM 0 HE22 GLN A 93 1.585 16.766 3.561 1.00 0.00 H new ATOM 1410 N GLY A 94 0.407 13.209 5.903 1.00 0.00 N ATOM 1411 CA GLY A 94 -0.954 13.716 5.944 1.00 0.00 C ATOM 1412 C GLY A 94 -1.839 13.000 4.920 1.00 0.00 C ATOM 1413 O GLY A 94 -2.719 13.613 4.320 1.00 0.00 O ATOM 0 H GLY A 94 0.663 12.746 5.031 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -1.366 13.580 6.944 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -0.953 14.787 5.743 1.00 0.00 H new ATOM 1417 N HIS A 95 -1.572 11.714 4.753 1.00 0.00 N ATOM 1418 CA HIS A 95 -2.331 10.907 3.814 1.00 0.00 C ATOM 1419 C HIS A 95 -2.155 9.425 4.147 1.00 0.00 C ATOM 1420 O HIS A 95 -1.401 9.074 5.054 1.00 0.00 O ATOM 1421 CB HIS A 95 -1.940 11.241 2.372 1.00 0.00 C ATOM 1422 CG HIS A 95 -3.078 11.136 1.387 1.00 0.00 C ATOM 1423 ND1 HIS A 95 -3.992 12.157 1.183 1.00 0.00 N ATOM 1424 CD2 HIS A 95 -3.442 10.122 0.548 1.00 0.00 C ATOM 1425 CE1 HIS A 95 -4.863 11.764 0.266 1.00 0.00 C ATOM 1426 NE2 HIS A 95 -4.519 10.504 -0.127 1.00 0.00 N ATOM 0 H HIS A 95 -0.839 11.210 5.253 1.00 0.00 H new ATOM 0 HA HIS A 95 -3.392 11.139 3.906 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -1.538 12.254 2.341 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -1.139 10.571 2.059 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -2.939 9.171 0.450 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -5.698 12.340 -0.105 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -5.010 9.946 -0.826 1.00 0.00 H new ATOM 1434 N THR A 96 -2.864 8.594 3.398 1.00 0.00 N ATOM 1435 CA THR A 96 -2.796 7.157 3.603 1.00 0.00 C ATOM 1436 C THR A 96 -3.238 6.416 2.340 1.00 0.00 C ATOM 1437 O THR A 96 -3.828 7.013 1.440 1.00 0.00 O ATOM 1438 CB THR A 96 -3.636 6.815 4.834 1.00 0.00 C ATOM 1439 OG1 THR A 96 -3.219 5.499 5.185 1.00 0.00 O ATOM 1440 CG2 THR A 96 -5.122 6.660 4.504 1.00 0.00 C ATOM 0 H THR A 96 -3.489 8.888 2.648 1.00 0.00 H new ATOM 0 HA THR A 96 -1.772 6.832 3.790 1.00 0.00 H new ATOM 0 HB THR A 96 -3.511 7.594 5.586 1.00 0.00 H new ATOM 0 HG1 THR A 96 -3.713 5.199 5.976 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.673 6.417 5.413 1.00 0.00 H new ATOM 0 HG22 THR A 96 -5.501 7.593 4.088 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.251 5.859 3.776 1.00 0.00 H new ATOM 1448 N PHE A 97 -2.938 5.126 2.312 1.00 0.00 N ATOM 1449 CA PHE A 97 -3.297 4.298 1.175 1.00 0.00 C ATOM 1450 C PHE A 97 -3.108 2.814 1.496 1.00 0.00 C ATOM 1451 O PHE A 97 -2.466 2.466 2.486 1.00 0.00 O ATOM 1452 CB PHE A 97 -2.360 4.681 0.028 1.00 0.00 C ATOM 1453 CG PHE A 97 -3.063 5.359 -1.150 1.00 0.00 C ATOM 1454 CD1 PHE A 97 -3.669 4.605 -2.104 1.00 0.00 C ATOM 1455 CD2 PHE A 97 -3.081 6.716 -1.242 1.00 0.00 C ATOM 1456 CE1 PHE A 97 -4.322 5.234 -3.198 1.00 0.00 C ATOM 1457 CE2 PHE A 97 -3.734 7.345 -2.334 1.00 0.00 C ATOM 1458 CZ PHE A 97 -4.341 6.590 -3.289 1.00 0.00 C ATOM 0 H PHE A 97 -2.450 4.634 3.060 1.00 0.00 H new ATOM 0 HA PHE A 97 -4.344 4.457 0.916 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -1.588 5.349 0.411 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -1.856 3.784 -0.331 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -3.654 3.528 -2.031 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.598 7.315 -0.484 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -4.803 4.635 -3.957 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -3.749 8.422 -2.407 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.838 7.068 -4.120 1.00 0.00 H new ATOM 1468 N GLU A 98 -3.682 1.979 0.641 1.00 0.00 N ATOM 1469 CA GLU A 98 -3.586 0.540 0.824 1.00 0.00 C ATOM 1470 C GLU A 98 -3.885 -0.181 -0.494 1.00 0.00 C ATOM 1471 O GLU A 98 -4.930 0.037 -1.102 1.00 0.00 O ATOM 1472 CB GLU A 98 -4.523 0.063 1.934 1.00 0.00 C ATOM 1473 CG GLU A 98 -3.975 -1.196 2.611 1.00 0.00 C ATOM 1474 CD GLU A 98 -4.652 -1.430 3.963 1.00 0.00 C ATOM 1475 OE1 GLU A 98 -5.278 -0.511 4.511 1.00 0.00 O ATOM 1476 OE2 GLU A 98 -4.512 -2.619 4.443 1.00 0.00 O ATOM 0 H GLU A 98 -4.214 2.271 -0.179 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.567 0.299 1.127 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -4.648 0.853 2.674 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.509 -0.143 1.519 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -4.136 -2.060 1.966 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -2.898 -1.099 2.751 1.00 0.00 H new ATOM 1484 N ASP A 99 -2.946 -1.027 -0.894 1.00 0.00 N ATOM 1485 CA ASP A 99 -3.096 -1.781 -2.126 1.00 0.00 C ATOM 1486 C ASP A 99 -2.252 -3.055 -2.045 1.00 0.00 C ATOM 1487 O ASP A 99 -1.067 -2.999 -1.720 1.00 0.00 O ATOM 1488 CB ASP A 99 -2.613 -0.971 -3.332 1.00 0.00 C ATOM 1489 CG ASP A 99 -3.679 -0.093 -3.989 1.00 0.00 C ATOM 1490 OD1 ASP A 99 -4.797 0.051 -3.470 1.00 0.00 O ATOM 1491 OD2 ASP A 99 -3.321 0.463 -5.096 1.00 0.00 O ATOM 0 H ASP A 99 -2.080 -1.206 -0.387 1.00 0.00 H new ATOM 0 HA ASP A 99 -4.153 -2.016 -2.250 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -1.785 -0.336 -3.016 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -2.220 -1.660 -4.080 1.00 0.00 H new ATOM 1497 N SER A 100 -2.895 -4.174 -2.345 1.00 0.00 N ATOM 1498 CA SER A 100 -2.220 -5.459 -2.310 1.00 0.00 C ATOM 1499 C SER A 100 -3.052 -6.509 -3.051 1.00 0.00 C ATOM 1500 O SER A 100 -3.628 -6.223 -4.099 1.00 0.00 O ATOM 1501 CB SER A 100 -1.962 -5.907 -0.870 1.00 0.00 C ATOM 1502 OG SER A 100 -1.359 -7.197 -0.811 1.00 0.00 O ATOM 0 H SER A 100 -3.878 -4.217 -2.614 1.00 0.00 H new ATOM 0 HA SER A 100 -1.256 -5.352 -2.807 1.00 0.00 H new ATOM 0 HB2 SER A 100 -1.316 -5.182 -0.375 1.00 0.00 H new ATOM 0 HB3 SER A 100 -2.903 -5.922 -0.321 1.00 0.00 H new ATOM 0 HG SER A 100 -0.811 -7.339 -1.611 1.00 0.00 H new ATOM 1508 N THR A 101 -3.086 -7.703 -2.477 1.00 0.00 N ATOM 1509 CA THR A 101 -3.838 -8.796 -3.070 1.00 0.00 C ATOM 1510 C THR A 101 -4.662 -9.518 -2.002 1.00 0.00 C ATOM 1511 O THR A 101 -4.528 -9.233 -0.812 1.00 0.00 O ATOM 1512 CB THR A 101 -2.848 -9.710 -3.795 1.00 0.00 C ATOM 1513 OG1 THR A 101 -3.674 -10.698 -4.407 1.00 0.00 O ATOM 1514 CG2 THR A 101 -1.969 -10.507 -2.827 1.00 0.00 C ATOM 0 H THR A 101 -2.605 -7.937 -1.608 1.00 0.00 H new ATOM 0 HA THR A 101 -4.560 -8.430 -3.800 1.00 0.00 H new ATOM 0 HB THR A 101 -2.215 -9.113 -4.451 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.183 -11.128 -5.138 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.285 -11.139 -3.393 1.00 0.00 H new ATOM 0 HG22 THR A 101 -1.397 -9.819 -2.205 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.599 -11.131 -2.193 1.00 0.00 H new ATOM 1522 N LYS A 102 -5.494 -10.438 -2.463 1.00 0.00 N ATOM 1523 CA LYS A 102 -6.340 -11.202 -1.563 1.00 0.00 C ATOM 1524 C LYS A 102 -6.957 -12.378 -2.325 1.00 0.00 C ATOM 1525 O LYS A 102 -7.551 -12.191 -3.386 1.00 0.00 O ATOM 1526 CB LYS A 102 -7.373 -10.291 -0.894 1.00 0.00 C ATOM 1527 CG LYS A 102 -8.273 -9.627 -1.937 1.00 0.00 C ATOM 1528 CD LYS A 102 -7.618 -8.366 -2.504 1.00 0.00 C ATOM 1529 CE LYS A 102 -7.416 -8.485 -4.016 1.00 0.00 C ATOM 1530 NZ LYS A 102 -8.618 -8.013 -4.738 1.00 0.00 N ATOM 0 H LYS A 102 -5.601 -10.672 -3.450 1.00 0.00 H new ATOM 0 HA LYS A 102 -5.749 -11.624 -0.750 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -7.981 -10.872 -0.200 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -6.864 -9.526 -0.308 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -8.478 -10.329 -2.745 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.232 -9.371 -1.485 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -8.240 -7.498 -2.284 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -6.657 -8.201 -2.017 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -6.548 -7.899 -4.320 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -7.209 -9.522 -4.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -8.464 -8.101 -5.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -9.438 -8.589 -4.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -8.798 -7.017 -4.499 1.00 0.00 H new ATOM 1544 N LYS A 103 -6.797 -13.562 -1.754 1.00 0.00 N ATOM 1545 CA LYS A 103 -7.330 -14.767 -2.365 1.00 0.00 C ATOM 1546 C LYS A 103 -7.652 -15.788 -1.273 1.00 0.00 C ATOM 1547 O LYS A 103 -7.718 -15.442 -0.094 1.00 0.00 O ATOM 1548 CB LYS A 103 -6.375 -15.294 -3.437 1.00 0.00 C ATOM 1549 CG LYS A 103 -6.753 -14.757 -4.820 1.00 0.00 C ATOM 1550 CD LYS A 103 -7.548 -15.796 -5.612 1.00 0.00 C ATOM 1551 CE LYS A 103 -8.230 -15.157 -6.824 1.00 0.00 C ATOM 1552 NZ LYS A 103 -8.218 -16.086 -7.976 1.00 0.00 N ATOM 0 H LYS A 103 -6.305 -13.713 -0.873 1.00 0.00 H new ATOM 0 HA LYS A 103 -8.264 -14.549 -2.884 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.354 -15.000 -3.195 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -6.399 -16.384 -3.447 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -7.343 -13.847 -4.712 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -5.851 -14.488 -5.369 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -6.883 -16.593 -5.943 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -8.298 -16.254 -4.967 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -9.257 -14.893 -6.573 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -7.719 -14.232 -7.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -8.685 -15.636 -8.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -7.235 -16.317 -8.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -8.726 -16.958 -7.724 1.00 0.00 H new ATOM 1566 N SER A 104 -7.845 -17.028 -1.704 1.00 0.00 N ATOM 1567 CA SER A 104 -8.157 -18.101 -0.776 1.00 0.00 C ATOM 1568 C SER A 104 -7.373 -19.360 -1.151 1.00 0.00 C ATOM 1569 O SER A 104 -7.663 -20.447 -0.654 1.00 0.00 O ATOM 1570 CB SER A 104 -9.660 -18.395 -0.761 1.00 0.00 C ATOM 1571 OG SER A 104 -10.029 -19.222 0.339 1.00 0.00 O ATOM 0 H SER A 104 -7.791 -17.312 -2.682 1.00 0.00 H new ATOM 0 HA SER A 104 -7.866 -17.785 0.226 1.00 0.00 H new ATOM 0 HB2 SER A 104 -10.213 -17.457 -0.711 1.00 0.00 H new ATOM 0 HB3 SER A 104 -9.944 -18.883 -1.693 1.00 0.00 H new ATOM 0 HG SER A 104 -10.995 -19.386 0.315 1.00 0.00 H new ATOM 1577 N ALA A 105 -6.398 -19.172 -2.025 1.00 0.00 N ATOM 1578 CA ALA A 105 -5.569 -20.279 -2.473 1.00 0.00 C ATOM 1579 C ALA A 105 -4.426 -19.740 -3.337 1.00 0.00 C ATOM 1580 O ALA A 105 -4.553 -19.656 -4.556 1.00 0.00 O ATOM 1581 CB ALA A 105 -6.435 -21.295 -3.221 1.00 0.00 C ATOM 0 H ALA A 105 -6.162 -18.269 -2.436 1.00 0.00 H new ATOM 0 HA ALA A 105 -5.124 -20.793 -1.621 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -5.814 -22.125 -3.557 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -7.213 -21.670 -2.556 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -6.896 -20.815 -4.084 1.00 0.00 H new TER 1588 ALA A 105