USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 872 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 44 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 131 LYS NZ :NH3+ -141:sc= 0.348 (180deg=-1.76) USER MOD Set 2.1: A 102 TYR OH : rot 139:sc= 0.0803 USER MOD Set 2.2: A 104 SER OG : rot -63:sc= 0.431 USER MOD Set 2.3: A 110 HIS : no HE2:sc= -4.94! C(o=-4.4!,f=-11!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= -0.0555 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 CYS SG : rot 31:sc= -0.259 USER MOD Single : A 42 THR OG1 : rot 180:sc= -1.42 USER MOD Single : A 43 MET CE :methyl 150:sc= -0.479 (180deg=-1.96) USER MOD Single : A 45 SER OG : rot 37:sc= 0.139 USER MOD Single : A 49 GLN : amide:sc= 0.357 X(o=0.36,f=-0.058) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0.13) USER MOD Single : A 57 CYS SG : rot -51:sc= -0.249 USER MOD Single : A 58 MET CE :methyl -131:sc= 0 (180deg=-0.184) USER MOD Single : A 60 SER OG : rot -57:sc= 0.189 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 76:sc= -2.58! USER MOD Single : A 64 SER OG : rot 180:sc= 0.0385 USER MOD Single : A 68 CYS SG : rot -85:sc= -0.601 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -119:sc= 0.0728 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -4.98! C(o=-5!,f=-4.5!) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.732 K(o=-0.73,f=-2.8!) USER MOD Single : A 99 ASN : amide:sc= -0.671 K(o=-0.67,f=-4.6!) USER MOD Single : A 103 ASN : amide:sc= -0.108 K(o=-0.11,f=-1.9!) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.0222 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 CYS SG : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= -0.683 K(o=-0.68,f=-0.044) USER MOD Single : A 122 ASN : amide:sc= -0.297 K(o=-0.3,f=-2.1!) USER MOD Single : A 125 ASN : amide:sc= -0.347 K(o=-0.35,f=-3!) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 THR OG1 : rot -86:sc= 0.466 USER MOD ----------------------------------------------------------------- ATOM 13 N LEU A 2 -5.204 17.739 10.337 1.00 0.00 N ATOM 14 CA LEU A 2 -5.352 16.320 10.063 1.00 0.00 C ATOM 15 C LEU A 2 -5.401 15.552 11.385 1.00 0.00 C ATOM 16 O LEU A 2 -5.365 16.153 12.458 1.00 0.00 O ATOM 17 CB LEU A 2 -4.254 15.839 9.113 1.00 0.00 C ATOM 18 CG LEU A 2 -3.605 16.914 8.240 1.00 0.00 C ATOM 19 CD1 LEU A 2 -2.183 16.513 7.841 1.00 0.00 C ATOM 20 CD2 LEU A 2 -4.475 17.230 7.021 1.00 0.00 C ATOM 0 HA LEU A 2 -6.293 16.129 9.547 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.474 15.359 9.704 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -4.675 15.074 8.460 1.00 0.00 H new ATOM 0 HG LEU A 2 -3.528 17.829 8.827 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -1.745 17.295 7.221 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -1.578 16.379 8.737 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -2.212 15.579 7.280 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -3.990 17.997 6.417 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -4.606 16.328 6.424 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.449 17.590 7.353 1.00 0.00 H new ATOM 32 N PRO A 3 -5.485 14.200 11.263 1.00 0.00 N ATOM 33 CA PRO A 3 -5.538 13.344 12.436 1.00 0.00 C ATOM 34 C PRO A 3 -4.164 13.234 13.098 1.00 0.00 C ATOM 35 O PRO A 3 -3.148 13.553 12.483 1.00 0.00 O ATOM 36 CB PRO A 3 -6.062 12.011 11.926 1.00 0.00 C ATOM 37 CG PRO A 3 -5.841 12.024 10.423 1.00 0.00 C ATOM 38 CD PRO A 3 -5.530 13.454 10.010 1.00 0.00 C ATOM 0 HA PRO A 3 -6.188 13.740 13.217 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -5.533 11.179 12.391 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.119 11.890 12.164 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -5.019 11.361 10.152 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -6.728 11.661 9.904 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -4.580 13.515 9.479 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -6.295 13.848 9.342 1.00 0.00 H new ATOM 46 N PRO A 4 -4.177 12.767 14.375 1.00 0.00 N ATOM 47 CA PRO A 4 -2.944 12.609 15.127 1.00 0.00 C ATOM 48 C PRO A 4 -2.163 11.383 14.650 1.00 0.00 C ATOM 49 O PRO A 4 -2.744 10.323 14.423 1.00 0.00 O ATOM 50 CB PRO A 4 -3.379 12.509 16.579 1.00 0.00 C ATOM 51 CG PRO A 4 -4.855 12.147 16.549 1.00 0.00 C ATOM 52 CD PRO A 4 -5.361 12.378 15.135 1.00 0.00 C ATOM 0 HA PRO A 4 -2.257 13.444 14.988 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -2.802 11.751 17.108 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -3.219 13.453 17.100 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -4.999 11.107 16.841 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -5.413 12.758 17.259 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -5.816 11.476 14.725 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -6.122 13.158 15.109 1.00 0.00 H new ATOM 60 N PRO A 5 -0.824 11.573 14.510 1.00 0.00 N ATOM 61 CA PRO A 5 0.042 10.495 14.064 1.00 0.00 C ATOM 62 C PRO A 5 0.270 9.476 15.182 1.00 0.00 C ATOM 63 O PRO A 5 0.631 9.844 16.298 1.00 0.00 O ATOM 64 CB PRO A 5 1.323 11.179 13.614 1.00 0.00 C ATOM 65 CG PRO A 5 1.305 12.557 14.254 1.00 0.00 C ATOM 66 CD PRO A 5 -0.102 12.815 14.770 1.00 0.00 C ATOM 0 HA PRO A 5 -0.393 9.917 13.249 1.00 0.00 H new ATOM 0 HB2 PRO A 5 2.200 10.613 13.929 1.00 0.00 H new ATOM 0 HB3 PRO A 5 1.365 11.253 12.527 1.00 0.00 H new ATOM 0 HG2 PRO A 5 2.026 12.608 15.070 1.00 0.00 H new ATOM 0 HG3 PRO A 5 1.591 13.318 13.528 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -0.096 13.055 15.833 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -0.564 13.657 14.256 1.00 0.00 H new ATOM 74 N GLU A 6 0.047 8.214 14.844 1.00 0.00 N ATOM 75 CA GLU A 6 0.223 7.139 15.806 1.00 0.00 C ATOM 76 C GLU A 6 1.683 6.679 15.826 1.00 0.00 C ATOM 77 O GLU A 6 2.379 6.767 14.816 1.00 0.00 O ATOM 78 CB GLU A 6 -0.716 5.971 15.501 1.00 0.00 C ATOM 79 CG GLU A 6 -1.795 5.839 16.578 1.00 0.00 C ATOM 80 CD GLU A 6 -2.044 4.371 16.927 1.00 0.00 C ATOM 81 OE1 GLU A 6 -1.113 3.756 17.493 1.00 0.00 O ATOM 82 OE2 GLU A 6 -3.159 3.896 16.621 1.00 0.00 O ATOM 0 H GLU A 6 -0.254 7.912 13.917 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.032 7.518 16.796 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.185 6.121 14.528 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -0.143 5.046 15.440 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -1.490 6.382 17.472 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -2.721 6.295 16.228 1.00 0.00 H new ATOM 89 N PRO A 7 2.112 6.184 17.017 1.00 0.00 N ATOM 90 CA PRO A 7 3.476 5.709 17.182 1.00 0.00 C ATOM 91 C PRO A 7 3.668 4.348 16.509 1.00 0.00 C ATOM 92 O PRO A 7 3.015 3.372 16.875 1.00 0.00 O ATOM 93 CB PRO A 7 3.698 5.664 18.685 1.00 0.00 C ATOM 94 CG PRO A 7 2.312 5.668 19.311 1.00 0.00 C ATOM 95 CD PRO A 7 1.316 6.064 18.234 1.00 0.00 C ATOM 0 HA PRO A 7 4.208 6.359 16.704 1.00 0.00 H new ATOM 0 HB2 PRO A 7 4.253 4.771 18.971 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.280 6.522 19.020 1.00 0.00 H new ATOM 0 HG2 PRO A 7 2.071 4.683 19.711 1.00 0.00 H new ATOM 0 HG3 PRO A 7 2.272 6.369 20.145 1.00 0.00 H new ATOM 0 HD2 PRO A 7 0.534 5.313 18.123 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.822 7.005 18.478 1.00 0.00 H new ATOM 103 N TYR A 8 4.566 4.328 15.535 1.00 0.00 N ATOM 104 CA TYR A 8 4.853 3.103 14.807 1.00 0.00 C ATOM 105 C TYR A 8 6.221 2.541 15.197 1.00 0.00 C ATOM 106 O TYR A 8 7.241 3.209 15.031 1.00 0.00 O ATOM 107 CB TYR A 8 4.875 3.488 13.327 1.00 0.00 C ATOM 108 CG TYR A 8 5.327 2.360 12.397 1.00 0.00 C ATOM 109 CD1 TYR A 8 4.578 1.205 12.299 1.00 0.00 C ATOM 110 CD2 TYR A 8 6.483 2.498 11.657 1.00 0.00 C ATOM 111 CE1 TYR A 8 5.003 0.143 11.424 1.00 0.00 C ATOM 112 CE2 TYR A 8 6.909 1.435 10.782 1.00 0.00 C ATOM 113 CZ TYR A 8 6.147 0.311 10.708 1.00 0.00 C ATOM 114 OH TYR A 8 6.549 -0.692 9.883 1.00 0.00 O ATOM 0 H TYR A 8 5.104 5.140 15.233 1.00 0.00 H new ATOM 0 HA TYR A 8 4.107 2.340 15.029 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.877 3.811 13.031 1.00 0.00 H new ATOM 0 HB3 TYR A 8 5.539 4.342 13.194 1.00 0.00 H new ATOM 0 HD1 TYR A 8 3.673 1.098 12.879 1.00 0.00 H new ATOM 0 HD2 TYR A 8 7.069 3.402 11.733 1.00 0.00 H new ATOM 0 HE1 TYR A 8 4.426 -0.766 11.338 1.00 0.00 H new ATOM 0 HE2 TYR A 8 7.813 1.529 10.198 1.00 0.00 H new ATOM 0 HH TYR A 8 7.381 -0.433 9.435 1.00 0.00 H new ATOM 207 N SER A 14 8.883 -8.119 6.828 1.00 0.00 N ATOM 208 CA SER A 14 8.928 -9.411 6.168 1.00 0.00 C ATOM 209 C SER A 14 7.979 -9.419 4.967 1.00 0.00 C ATOM 210 O SER A 14 6.764 -9.332 5.131 1.00 0.00 O ATOM 211 CB SER A 14 8.565 -10.538 7.137 1.00 0.00 C ATOM 212 OG SER A 14 9.715 -11.073 7.787 1.00 0.00 O ATOM 0 HA SER A 14 9.947 -9.581 5.820 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.867 -10.162 7.885 1.00 0.00 H new ATOM 0 HB3 SER A 14 8.053 -11.332 6.594 1.00 0.00 H new ATOM 0 HG SER A 14 9.442 -11.789 8.398 1.00 0.00 H new ATOM 218 N TYR A 15 8.571 -9.525 3.787 1.00 0.00 N ATOM 219 CA TYR A 15 7.795 -9.545 2.559 1.00 0.00 C ATOM 220 C TYR A 15 7.669 -10.969 2.013 1.00 0.00 C ATOM 221 O TYR A 15 8.598 -11.767 2.130 1.00 0.00 O ATOM 222 CB TYR A 15 8.573 -8.693 1.553 1.00 0.00 C ATOM 223 CG TYR A 15 8.657 -7.212 1.927 1.00 0.00 C ATOM 224 CD1 TYR A 15 9.673 -6.764 2.747 1.00 0.00 C ATOM 225 CD2 TYR A 15 7.717 -6.324 1.445 1.00 0.00 C ATOM 226 CE1 TYR A 15 9.753 -5.370 3.098 1.00 0.00 C ATOM 227 CE2 TYR A 15 7.797 -4.930 1.797 1.00 0.00 C ATOM 228 CZ TYR A 15 8.811 -4.522 2.606 1.00 0.00 C ATOM 229 OH TYR A 15 8.886 -3.205 2.938 1.00 0.00 O ATOM 0 H TYR A 15 9.580 -9.598 3.655 1.00 0.00 H new ATOM 0 HA TYR A 15 6.788 -9.167 2.736 1.00 0.00 H new ATOM 0 HB2 TYR A 15 9.583 -9.092 1.459 1.00 0.00 H new ATOM 0 HB3 TYR A 15 8.102 -8.784 0.574 1.00 0.00 H new ATOM 0 HD1 TYR A 15 10.408 -7.459 3.125 1.00 0.00 H new ATOM 0 HD2 TYR A 15 6.922 -6.674 0.804 1.00 0.00 H new ATOM 0 HE1 TYR A 15 10.543 -5.006 3.738 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.068 -4.224 1.427 1.00 0.00 H new ATOM 0 HH TYR A 15 8.149 -2.718 2.514 1.00 0.00 H new ATOM 239 N PRO A 16 6.482 -11.252 1.413 1.00 0.00 N ATOM 240 CA PRO A 16 6.223 -12.566 0.849 1.00 0.00 C ATOM 241 C PRO A 16 6.973 -12.753 -0.471 1.00 0.00 C ATOM 242 O PRO A 16 7.555 -13.810 -0.713 1.00 0.00 O ATOM 243 CB PRO A 16 4.713 -12.634 0.688 1.00 0.00 C ATOM 244 CG PRO A 16 4.224 -11.195 0.730 1.00 0.00 C ATOM 245 CD PRO A 16 5.359 -10.332 1.257 1.00 0.00 C ATOM 0 HA PRO A 16 6.580 -13.375 1.486 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.442 -13.111 -0.254 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.261 -13.223 1.486 1.00 0.00 H new ATOM 0 HG2 PRO A 16 3.923 -10.865 -0.264 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.348 -11.108 1.373 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.600 -9.527 0.563 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.094 -9.866 2.206 1.00 0.00 H new ATOM 253 N SER A 17 6.937 -11.712 -1.289 1.00 0.00 N ATOM 254 CA SER A 17 7.608 -11.750 -2.578 1.00 0.00 C ATOM 255 C SER A 17 9.113 -11.934 -2.380 1.00 0.00 C ATOM 256 O SER A 17 9.755 -12.671 -3.126 1.00 0.00 O ATOM 257 CB SER A 17 7.329 -10.476 -3.379 1.00 0.00 C ATOM 258 OG SER A 17 8.236 -9.428 -3.048 1.00 0.00 O ATOM 0 H SER A 17 6.454 -10.837 -1.085 1.00 0.00 H new ATOM 0 HA SER A 17 7.218 -12.596 -3.143 1.00 0.00 H new ATOM 0 HB2 SER A 17 7.401 -10.695 -4.444 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.308 -10.145 -3.190 1.00 0.00 H new ATOM 0 HG SER A 17 8.026 -8.633 -3.581 1.00 0.00 H new ATOM 264 N LYS A 18 9.633 -11.251 -1.370 1.00 0.00 N ATOM 265 CA LYS A 18 11.051 -11.330 -1.065 1.00 0.00 C ATOM 266 C LYS A 18 11.234 -11.909 0.341 1.00 0.00 C ATOM 267 O LYS A 18 11.825 -11.267 1.207 1.00 0.00 O ATOM 268 CB LYS A 18 11.718 -9.968 -1.260 1.00 0.00 C ATOM 269 CG LYS A 18 12.054 -9.729 -2.735 1.00 0.00 C ATOM 270 CD LYS A 18 12.543 -8.296 -2.959 1.00 0.00 C ATOM 271 CE LYS A 18 13.090 -8.120 -4.377 1.00 0.00 C ATOM 272 NZ LYS A 18 14.570 -8.104 -4.362 1.00 0.00 N ATOM 0 H LYS A 18 9.097 -10.641 -0.753 1.00 0.00 H new ATOM 0 HA LYS A 18 11.552 -12.006 -1.757 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.056 -9.180 -0.902 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.628 -9.916 -0.663 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.821 -10.434 -3.056 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.172 -9.917 -3.348 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.723 -7.598 -2.792 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.320 -8.055 -2.233 1.00 0.00 H new ATOM 0 HE2 LYS A 18 12.735 -8.931 -5.013 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.714 -7.191 -4.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.926 -7.984 -5.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.903 -7.316 -3.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.923 -9.001 -3.973 1.00 0.00 H new ATOM 597 N CYS A 40 1.288 -8.188 -12.991 1.00 0.00 N ATOM 598 CA CYS A 40 0.368 -7.731 -11.965 1.00 0.00 C ATOM 599 C CYS A 40 -0.750 -6.934 -12.641 1.00 0.00 C ATOM 600 O CYS A 40 -0.487 -6.103 -13.510 1.00 0.00 O ATOM 601 CB CYS A 40 1.082 -6.911 -10.889 1.00 0.00 C ATOM 602 SG CYS A 40 2.090 -5.598 -11.669 1.00 0.00 S ATOM 0 HA CYS A 40 -0.060 -8.591 -11.450 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.351 -6.467 -10.214 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.718 -7.560 -10.288 1.00 0.00 H new ATOM 0 HG CYS A 40 1.526 -5.218 -12.777 1.00 0.00 H new ATOM 608 N VAL A 41 -1.973 -7.215 -12.218 1.00 0.00 N ATOM 609 CA VAL A 41 -3.132 -6.536 -12.772 1.00 0.00 C ATOM 610 C VAL A 41 -3.645 -5.506 -11.764 1.00 0.00 C ATOM 611 O VAL A 41 -3.437 -5.654 -10.560 1.00 0.00 O ATOM 612 CB VAL A 41 -4.195 -7.559 -13.177 1.00 0.00 C ATOM 613 CG1 VAL A 41 -3.872 -8.177 -14.537 1.00 0.00 C ATOM 614 CG2 VAL A 41 -4.351 -8.640 -12.105 1.00 0.00 C ATOM 0 H VAL A 41 -2.187 -7.904 -11.497 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.860 -5.995 -13.678 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.147 -7.036 -13.266 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.644 -8.900 -14.800 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.836 -7.393 -15.294 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.906 -8.679 -14.488 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.112 -9.355 -12.417 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.401 -9.158 -11.969 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.650 -8.179 -11.164 1.00 0.00 H new ATOM 624 N THR A 42 -4.305 -4.485 -12.291 1.00 0.00 N ATOM 625 CA THR A 42 -4.848 -3.431 -11.452 1.00 0.00 C ATOM 626 C THR A 42 -6.302 -3.738 -11.087 1.00 0.00 C ATOM 627 O THR A 42 -6.969 -4.509 -11.775 1.00 0.00 O ATOM 628 CB THR A 42 -4.674 -2.102 -12.190 1.00 0.00 C ATOM 629 OG1 THR A 42 -3.266 -1.992 -12.378 1.00 0.00 O ATOM 630 CG2 THR A 42 -5.028 -0.897 -11.316 1.00 0.00 C ATOM 0 H THR A 42 -4.476 -4.366 -13.289 1.00 0.00 H new ATOM 0 HA THR A 42 -4.314 -3.364 -10.504 1.00 0.00 H new ATOM 0 HB THR A 42 -5.298 -2.098 -13.084 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.063 -1.158 -12.851 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.887 0.021 -11.887 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.068 -0.971 -10.998 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.381 -0.881 -10.439 1.00 0.00 H new ATOM 638 N MET A 43 -6.751 -3.115 -10.006 1.00 0.00 N ATOM 639 CA MET A 43 -8.114 -3.312 -9.542 1.00 0.00 C ATOM 640 C MET A 43 -8.863 -1.981 -9.465 1.00 0.00 C ATOM 641 O MET A 43 -9.923 -1.825 -10.070 1.00 0.00 O ATOM 642 CB MET A 43 -8.093 -3.967 -8.160 1.00 0.00 C ATOM 643 CG MET A 43 -8.850 -5.297 -8.172 1.00 0.00 C ATOM 644 SD MET A 43 -8.660 -6.122 -6.600 1.00 0.00 S ATOM 645 CE MET A 43 -9.168 -4.811 -5.500 1.00 0.00 C ATOM 0 H MET A 43 -6.195 -2.474 -9.439 1.00 0.00 H new ATOM 0 HA MET A 43 -8.631 -3.958 -10.252 1.00 0.00 H new ATOM 0 HB2 MET A 43 -7.062 -4.134 -7.848 1.00 0.00 H new ATOM 0 HB3 MET A 43 -8.542 -3.295 -7.428 1.00 0.00 H new ATOM 0 HG2 MET A 43 -9.907 -5.122 -8.375 1.00 0.00 H new ATOM 0 HG3 MET A 43 -8.473 -5.932 -8.973 1.00 0.00 H new ATOM 0 HE1 MET A 43 -9.617 -5.241 -4.604 1.00 0.00 H new ATOM 0 HE2 MET A 43 -8.300 -4.214 -5.220 1.00 0.00 H new ATOM 0 HE3 MET A 43 -9.898 -4.177 -6.003 1.00 0.00 H new ATOM 655 N SER A 44 -8.284 -1.055 -8.715 1.00 0.00 N ATOM 656 CA SER A 44 -8.885 0.258 -8.551 1.00 0.00 C ATOM 657 C SER A 44 -7.817 1.344 -8.699 1.00 0.00 C ATOM 658 O SER A 44 -6.622 1.053 -8.669 1.00 0.00 O ATOM 659 CB SER A 44 -9.581 0.380 -7.193 1.00 0.00 C ATOM 660 OG SER A 44 -8.700 0.867 -6.184 1.00 0.00 O ATOM 0 H SER A 44 -7.405 -1.188 -8.214 1.00 0.00 H new ATOM 0 HA SER A 44 -9.638 0.389 -9.328 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.436 1.050 -7.283 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.970 -0.594 -6.896 1.00 0.00 H new ATOM 0 HG SER A 44 -9.182 0.932 -5.333 1.00 0.00 H new ATOM 666 N SER A 45 -8.287 2.573 -8.855 1.00 0.00 N ATOM 667 CA SER A 45 -7.387 3.704 -9.008 1.00 0.00 C ATOM 668 C SER A 45 -8.062 4.981 -8.505 1.00 0.00 C ATOM 669 O SER A 45 -9.102 5.384 -9.025 1.00 0.00 O ATOM 670 CB SER A 45 -6.954 3.870 -10.466 1.00 0.00 C ATOM 671 OG SER A 45 -8.068 3.877 -11.356 1.00 0.00 O ATOM 0 H SER A 45 -9.279 2.810 -8.879 1.00 0.00 H new ATOM 0 HA SER A 45 -6.494 3.514 -8.412 1.00 0.00 H new ATOM 0 HB2 SER A 45 -6.397 4.800 -10.575 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.278 3.060 -10.738 1.00 0.00 H new ATOM 0 HG SER A 45 -8.819 4.346 -10.936 1.00 0.00 H new ATOM 677 N ALA A 46 -7.443 5.584 -7.501 1.00 0.00 N ATOM 678 CA ALA A 46 -7.971 6.808 -6.923 1.00 0.00 C ATOM 679 C ALA A 46 -6.816 7.764 -6.620 1.00 0.00 C ATOM 680 O ALA A 46 -5.728 7.330 -6.243 1.00 0.00 O ATOM 681 CB ALA A 46 -8.791 6.471 -5.675 1.00 0.00 C ATOM 0 H ALA A 46 -6.580 5.248 -7.073 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.637 7.308 -7.626 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.187 7.389 -5.241 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.616 5.813 -5.948 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.154 5.970 -4.946 1.00 0.00 H new ATOM 687 N VAL A 47 -7.090 9.048 -6.797 1.00 0.00 N ATOM 688 CA VAL A 47 -6.088 10.069 -6.549 1.00 0.00 C ATOM 689 C VAL A 47 -6.005 10.341 -5.045 1.00 0.00 C ATOM 690 O VAL A 47 -7.015 10.640 -4.408 1.00 0.00 O ATOM 691 CB VAL A 47 -6.403 11.324 -7.366 1.00 0.00 C ATOM 692 CG1 VAL A 47 -5.403 12.441 -7.064 1.00 0.00 C ATOM 693 CG2 VAL A 47 -6.436 11.007 -8.863 1.00 0.00 C ATOM 0 H VAL A 47 -7.993 9.404 -7.110 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.106 9.725 -6.873 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.393 11.675 -7.075 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.650 13.321 -7.658 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.449 12.694 -6.005 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.396 12.106 -7.314 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.662 11.915 -9.422 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.466 10.621 -9.175 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.204 10.259 -9.060 1.00 0.00 H new ATOM 703 N VAL A 48 -4.793 10.229 -4.521 1.00 0.00 N ATOM 704 CA VAL A 48 -4.567 10.458 -3.105 1.00 0.00 C ATOM 705 C VAL A 48 -3.162 11.033 -2.904 1.00 0.00 C ATOM 706 O VAL A 48 -2.341 11.009 -3.819 1.00 0.00 O ATOM 707 CB VAL A 48 -4.801 9.166 -2.320 1.00 0.00 C ATOM 708 CG1 VAL A 48 -5.573 8.147 -3.161 1.00 0.00 C ATOM 709 CG2 VAL A 48 -3.478 8.579 -1.823 1.00 0.00 C ATOM 0 H VAL A 48 -3.958 9.983 -5.052 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.277 11.189 -2.719 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.408 9.408 -1.447 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.726 7.237 -2.580 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.539 8.565 -3.442 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.004 7.912 -4.060 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.673 7.661 -1.268 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.835 8.358 -2.675 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.983 9.299 -1.171 1.00 0.00 H new ATOM 719 N GLN A 49 -2.930 11.536 -1.701 1.00 0.00 N ATOM 720 CA GLN A 49 -1.640 12.115 -1.369 1.00 0.00 C ATOM 721 C GLN A 49 -0.908 11.235 -0.353 1.00 0.00 C ATOM 722 O GLN A 49 -1.519 10.720 0.582 1.00 0.00 O ATOM 723 CB GLN A 49 -1.799 13.543 -0.841 1.00 0.00 C ATOM 724 CG GLN A 49 -2.718 14.364 -1.750 1.00 0.00 C ATOM 725 CD GLN A 49 -3.601 15.306 -0.929 1.00 0.00 C ATOM 726 OE1 GLN A 49 -3.165 16.332 -0.433 1.00 0.00 O ATOM 727 NE2 GLN A 49 -4.862 14.902 -0.815 1.00 0.00 N ATOM 0 H GLN A 49 -3.614 11.555 -0.944 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.041 12.162 -2.278 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.208 13.518 0.169 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.822 14.022 -0.777 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.118 14.942 -2.453 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.344 13.695 -2.340 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.161 14.032 -1.256 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.531 15.462 -0.287 1.00 0.00 H new ATOM 736 N LEU A 50 0.391 11.089 -0.572 1.00 0.00 N ATOM 737 CA LEU A 50 1.213 10.280 0.311 1.00 0.00 C ATOM 738 C LEU A 50 1.869 11.182 1.358 1.00 0.00 C ATOM 739 O LEU A 50 2.592 12.116 1.011 1.00 0.00 O ATOM 740 CB LEU A 50 2.211 9.448 -0.497 1.00 0.00 C ATOM 741 CG LEU A 50 2.890 8.300 0.252 1.00 0.00 C ATOM 742 CD1 LEU A 50 3.541 8.799 1.544 1.00 0.00 C ATOM 743 CD2 LEU A 50 1.908 7.156 0.510 1.00 0.00 C ATOM 0 H LEU A 50 0.894 11.518 -1.349 1.00 0.00 H new ATOM 0 HA LEU A 50 0.598 9.560 0.850 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.692 9.034 -1.362 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.985 10.115 -0.878 1.00 0.00 H new ATOM 0 HG LEU A 50 3.686 7.904 -0.379 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.017 7.964 2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.291 9.553 1.306 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.779 9.236 2.190 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.417 6.353 1.044 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.075 7.520 1.111 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.532 6.778 -0.441 1.00 0.00 H new ATOM 755 N TYR A 51 1.597 10.870 2.616 1.00 0.00 N ATOM 756 CA TYR A 51 2.152 11.641 3.716 1.00 0.00 C ATOM 757 C TYR A 51 2.772 10.723 4.771 1.00 0.00 C ATOM 758 O TYR A 51 2.334 9.587 4.946 1.00 0.00 O ATOM 759 CB TYR A 51 0.976 12.394 4.339 1.00 0.00 C ATOM 760 CG TYR A 51 0.698 13.756 3.698 1.00 0.00 C ATOM 761 CD1 TYR A 51 0.280 13.827 2.385 1.00 0.00 C ATOM 762 CD2 TYR A 51 0.865 14.912 4.433 1.00 0.00 C ATOM 763 CE1 TYR A 51 0.019 15.108 1.781 1.00 0.00 C ATOM 764 CE2 TYR A 51 0.603 16.193 3.829 1.00 0.00 C ATOM 765 CZ TYR A 51 0.194 16.228 2.533 1.00 0.00 C ATOM 766 OH TYR A 51 -0.053 17.437 1.963 1.00 0.00 O ATOM 0 H TYR A 51 0.999 10.093 2.899 1.00 0.00 H new ATOM 0 HA TYR A 51 2.934 12.311 3.359 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.081 11.777 4.260 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.172 12.537 5.402 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.149 12.922 1.810 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.192 14.856 5.461 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.308 15.178 0.754 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.729 17.105 4.393 1.00 0.00 H new ATOM 0 HH TYR A 51 0.113 18.147 2.618 1.00 0.00 H new ATOM 776 N ALA A 52 3.782 11.249 5.447 1.00 0.00 N ATOM 777 CA ALA A 52 4.467 10.491 6.481 1.00 0.00 C ATOM 778 C ALA A 52 4.485 11.305 7.776 1.00 0.00 C ATOM 779 O ALA A 52 4.753 12.505 7.756 1.00 0.00 O ATOM 780 CB ALA A 52 5.872 10.127 6.000 1.00 0.00 C ATOM 0 H ALA A 52 4.143 12.191 5.299 1.00 0.00 H new ATOM 0 HA ALA A 52 3.942 9.558 6.686 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.386 9.559 6.775 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.802 9.524 5.094 1.00 0.00 H new ATOM 0 HB3 ALA A 52 6.431 11.038 5.787 1.00 0.00 H new ATOM 786 N ALA A 53 4.197 10.619 8.873 1.00 0.00 N ATOM 787 CA ALA A 53 4.178 11.264 10.175 1.00 0.00 C ATOM 788 C ALA A 53 5.614 11.557 10.616 1.00 0.00 C ATOM 789 O ALA A 53 6.228 10.755 11.317 1.00 0.00 O ATOM 790 CB ALA A 53 3.432 10.375 11.173 1.00 0.00 C ATOM 0 H ALA A 53 3.975 9.624 8.887 1.00 0.00 H new ATOM 0 HA ALA A 53 3.648 12.215 10.125 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.417 10.858 12.150 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.409 10.221 10.829 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.938 9.413 11.252 1.00 0.00 H new ATOM 796 N ASP A 54 6.106 12.709 10.185 1.00 0.00 N ATOM 797 CA ASP A 54 7.457 13.119 10.526 1.00 0.00 C ATOM 798 C ASP A 54 7.745 12.753 11.983 1.00 0.00 C ATOM 799 O ASP A 54 6.821 12.548 12.769 1.00 0.00 O ATOM 800 CB ASP A 54 7.629 14.633 10.377 1.00 0.00 C ATOM 801 CG ASP A 54 8.587 15.070 9.267 1.00 0.00 C ATOM 802 OD1 ASP A 54 9.737 14.581 9.285 1.00 0.00 O ATOM 803 OD2 ASP A 54 8.146 15.880 8.425 1.00 0.00 O ATOM 0 H ASP A 54 5.593 13.371 9.603 1.00 0.00 H new ATOM 0 HA ASP A 54 8.143 12.610 9.850 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.652 15.077 10.188 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.986 15.038 11.324 1.00 0.00 H new ATOM 808 N ARG A 55 9.029 12.681 12.300 1.00 0.00 N ATOM 809 CA ARG A 55 9.449 12.341 13.649 1.00 0.00 C ATOM 810 C ARG A 55 9.228 13.529 14.588 1.00 0.00 C ATOM 811 O ARG A 55 10.158 13.980 15.255 1.00 0.00 O ATOM 812 CB ARG A 55 10.927 11.942 13.682 1.00 0.00 C ATOM 813 CG ARG A 55 11.098 10.516 14.209 1.00 0.00 C ATOM 814 CD ARG A 55 12.447 9.933 13.784 1.00 0.00 C ATOM 815 NE ARG A 55 12.764 8.741 14.602 1.00 0.00 N ATOM 816 CZ ARG A 55 13.190 8.793 15.871 1.00 0.00 C ATOM 817 NH1 ARG A 55 13.353 9.978 16.475 1.00 0.00 N ATOM 818 NH2 ARG A 55 13.452 7.660 16.537 1.00 0.00 N ATOM 0 H ARG A 55 9.793 12.852 11.646 1.00 0.00 H new ATOM 0 HA ARG A 55 8.848 11.494 13.980 1.00 0.00 H new ATOM 0 HB2 ARG A 55 11.350 12.016 12.680 1.00 0.00 H new ATOM 0 HB3 ARG A 55 11.481 12.636 14.314 1.00 0.00 H new ATOM 0 HG2 ARG A 55 11.024 10.515 15.296 1.00 0.00 H new ATOM 0 HG3 ARG A 55 10.291 9.886 13.834 1.00 0.00 H new ATOM 0 HD2 ARG A 55 12.419 9.663 12.728 1.00 0.00 H new ATOM 0 HD3 ARG A 55 13.229 10.683 13.901 1.00 0.00 H new ATOM 0 HE ARG A 55 12.651 7.823 14.173 1.00 0.00 H new ATOM 0 HH11 ARG A 55 13.153 10.840 15.969 1.00 0.00 H new ATOM 0 HH12 ARG A 55 13.677 10.018 17.441 1.00 0.00 H new ATOM 0 HH21 ARG A 55 13.327 6.758 16.078 1.00 0.00 H new ATOM 0 HH22 ARG A 55 13.776 7.700 17.503 1.00 0.00 H new ATOM 832 N ASN A 56 7.991 14.002 14.610 1.00 0.00 N ATOM 833 CA ASN A 56 7.635 15.128 15.456 1.00 0.00 C ATOM 834 C ASN A 56 6.162 15.480 15.237 1.00 0.00 C ATOM 835 O ASN A 56 5.797 16.654 15.226 1.00 0.00 O ATOM 836 CB ASN A 56 8.473 16.362 15.112 1.00 0.00 C ATOM 837 CG ASN A 56 9.045 17.005 16.376 1.00 0.00 C ATOM 838 OD1 ASN A 56 10.013 16.541 16.956 1.00 0.00 O ATOM 839 ND2 ASN A 56 8.396 18.098 16.769 1.00 0.00 N ATOM 0 H ASN A 56 7.222 13.626 14.055 1.00 0.00 H new ATOM 0 HA ASN A 56 7.820 14.843 16.492 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.286 16.079 14.444 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.858 17.086 14.577 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.702 18.601 17.602 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.593 18.433 16.237 1.00 0.00 H new ATOM 846 N CYS A 57 5.357 14.441 15.070 1.00 0.00 N ATOM 847 CA CYS A 57 3.932 14.626 14.852 1.00 0.00 C ATOM 848 C CYS A 57 3.743 15.794 13.883 1.00 0.00 C ATOM 849 O CYS A 57 3.601 16.940 14.305 1.00 0.00 O ATOM 850 CB CYS A 57 3.183 14.848 16.168 1.00 0.00 C ATOM 851 SG CYS A 57 1.537 15.574 15.834 1.00 0.00 S ATOM 0 H CYS A 57 5.664 13.468 15.081 1.00 0.00 H new ATOM 0 HA CYS A 57 3.507 13.722 14.417 1.00 0.00 H new ATOM 0 HB2 CYS A 57 3.072 13.902 16.697 1.00 0.00 H new ATOM 0 HB3 CYS A 57 3.757 15.510 16.816 1.00 0.00 H new ATOM 0 HG CYS A 57 1.669 16.614 15.065 1.00 0.00 H new ATOM 857 N MET A 58 3.744 15.462 12.599 1.00 0.00 N ATOM 858 CA MET A 58 3.574 16.469 11.566 1.00 0.00 C ATOM 859 C MET A 58 3.657 15.843 10.172 1.00 0.00 C ATOM 860 O MET A 58 4.712 15.865 9.540 1.00 0.00 O ATOM 861 CB MET A 58 4.657 17.538 11.711 1.00 0.00 C ATOM 862 CG MET A 58 4.038 18.923 11.909 1.00 0.00 C ATOM 863 SD MET A 58 3.168 19.420 10.432 1.00 0.00 S ATOM 864 CE MET A 58 4.546 19.926 9.416 1.00 0.00 C ATOM 0 H MET A 58 3.860 14.510 12.252 1.00 0.00 H new ATOM 0 HA MET A 58 2.589 16.920 11.683 1.00 0.00 H new ATOM 0 HB2 MET A 58 5.299 17.298 12.559 1.00 0.00 H new ATOM 0 HB3 MET A 58 5.290 17.542 10.824 1.00 0.00 H new ATOM 0 HG2 MET A 58 3.353 18.906 12.756 1.00 0.00 H new ATOM 0 HG3 MET A 58 4.817 19.648 12.143 1.00 0.00 H new ATOM 0 HE1 MET A 58 4.342 20.907 8.988 1.00 0.00 H new ATOM 0 HE2 MET A 58 5.448 19.977 10.026 1.00 0.00 H new ATOM 0 HE3 MET A 58 4.691 19.203 8.613 1.00 0.00 H new ATOM 874 N TRP A 59 2.530 15.300 9.733 1.00 0.00 N ATOM 875 CA TRP A 59 2.463 14.670 8.426 1.00 0.00 C ATOM 876 C TRP A 59 3.313 15.495 7.459 1.00 0.00 C ATOM 877 O TRP A 59 3.462 16.704 7.633 1.00 0.00 O ATOM 878 CB TRP A 59 1.011 14.518 7.966 1.00 0.00 C ATOM 879 CG TRP A 59 0.054 14.057 9.066 1.00 0.00 C ATOM 880 CD1 TRP A 59 -0.705 14.814 9.869 1.00 0.00 C ATOM 881 CD2 TRP A 59 -0.217 12.694 9.455 1.00 0.00 C ATOM 882 NE1 TRP A 59 -1.443 14.043 10.744 1.00 0.00 N ATOM 883 CE2 TRP A 59 -1.137 12.712 10.484 1.00 0.00 C ATOM 884 CE3 TRP A 59 0.297 11.485 8.953 1.00 0.00 C ATOM 885 CZ2 TRP A 59 -1.622 11.552 11.099 1.00 0.00 C ATOM 886 CZ3 TRP A 59 -0.197 10.335 9.579 1.00 0.00 C ATOM 887 CH2 TRP A 59 -1.123 10.336 10.616 1.00 0.00 C ATOM 0 H TRP A 59 1.657 15.284 10.260 1.00 0.00 H new ATOM 0 HA TRP A 59 2.865 13.657 8.464 1.00 0.00 H new ATOM 0 HB2 TRP A 59 0.663 15.474 7.573 1.00 0.00 H new ATOM 0 HB3 TRP A 59 0.974 13.803 7.144 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -0.736 15.893 9.836 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -2.093 14.386 11.451 1.00 0.00 H new ATOM 0 HE3 TRP A 59 1.016 11.447 8.148 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.342 11.593 11.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 0.167 9.379 9.232 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.456 9.403 11.047 1.00 0.00 H new ATOM 898 N SER A 60 3.851 14.810 6.460 1.00 0.00 N ATOM 899 CA SER A 60 4.682 15.464 5.464 1.00 0.00 C ATOM 900 C SER A 60 4.457 14.826 4.093 1.00 0.00 C ATOM 901 O SER A 60 4.534 13.606 3.951 1.00 0.00 O ATOM 902 CB SER A 60 6.162 15.389 5.848 1.00 0.00 C ATOM 903 OG SER A 60 6.657 14.054 5.807 1.00 0.00 O ATOM 0 H SER A 60 3.727 13.807 6.319 1.00 0.00 H new ATOM 0 HA SER A 60 4.398 16.515 5.418 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.745 16.013 5.170 1.00 0.00 H new ATOM 0 HB3 SER A 60 6.298 15.795 6.850 1.00 0.00 H new ATOM 0 HG SER A 60 6.117 13.487 6.396 1.00 0.00 H new ATOM 909 N LYS A 61 4.183 15.678 3.116 1.00 0.00 N ATOM 910 CA LYS A 61 3.946 15.213 1.760 1.00 0.00 C ATOM 911 C LYS A 61 5.268 14.751 1.146 1.00 0.00 C ATOM 912 O LYS A 61 6.285 15.433 1.267 1.00 0.00 O ATOM 913 CB LYS A 61 3.230 16.290 0.943 1.00 0.00 C ATOM 914 CG LYS A 61 2.982 15.815 -0.491 1.00 0.00 C ATOM 915 CD LYS A 61 4.045 16.367 -1.443 1.00 0.00 C ATOM 916 CE LYS A 61 3.563 17.653 -2.117 1.00 0.00 C ATOM 917 NZ LYS A 61 4.702 18.564 -2.368 1.00 0.00 N ATOM 0 H LYS A 61 4.120 16.689 3.237 1.00 0.00 H new ATOM 0 HA LYS A 61 3.278 14.352 1.763 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.281 16.540 1.417 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.829 17.200 0.930 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.990 14.726 -0.524 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.993 16.136 -0.818 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.965 16.564 -0.892 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.281 15.621 -2.202 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.067 17.414 -3.058 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.826 18.148 -1.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.358 19.432 -2.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.158 18.806 -1.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.391 18.095 -2.989 1.00 0.00 H new ATOM 931 N LYS A 62 5.212 13.595 0.500 1.00 0.00 N ATOM 932 CA LYS A 62 6.392 13.035 -0.133 1.00 0.00 C ATOM 933 C LYS A 62 6.280 13.201 -1.650 1.00 0.00 C ATOM 934 O LYS A 62 7.281 13.422 -2.330 1.00 0.00 O ATOM 935 CB LYS A 62 6.602 11.586 0.312 1.00 0.00 C ATOM 936 CG LYS A 62 8.014 11.383 0.867 1.00 0.00 C ATOM 937 CD LYS A 62 7.974 10.657 2.214 1.00 0.00 C ATOM 938 CE LYS A 62 8.260 11.623 3.366 1.00 0.00 C ATOM 939 NZ LYS A 62 9.705 11.638 3.684 1.00 0.00 N ATOM 0 H LYS A 62 4.367 13.032 0.402 1.00 0.00 H new ATOM 0 HA LYS A 62 7.285 13.575 0.182 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.867 11.325 1.073 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.439 10.915 -0.532 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.609 10.808 0.157 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.505 12.349 0.985 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.996 10.197 2.355 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.708 9.852 2.219 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.931 12.627 3.097 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.691 11.326 4.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.881 12.299 4.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.009 10.683 3.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.242 11.943 2.847 1.00 0.00 H new ATOM 953 N CYS A 63 5.052 13.088 -2.136 1.00 0.00 N ATOM 954 CA CYS A 63 4.796 13.223 -3.560 1.00 0.00 C ATOM 955 C CYS A 63 3.443 12.579 -3.867 1.00 0.00 C ATOM 956 O CYS A 63 3.366 11.376 -4.113 1.00 0.00 O ATOM 957 CB CYS A 63 5.921 12.614 -4.398 1.00 0.00 C ATOM 958 SG CYS A 63 6.966 13.941 -5.104 1.00 0.00 S ATOM 0 H CYS A 63 4.224 12.905 -1.569 1.00 0.00 H new ATOM 0 HA CYS A 63 4.764 14.279 -3.828 1.00 0.00 H new ATOM 0 HB2 CYS A 63 6.528 11.952 -3.780 1.00 0.00 H new ATOM 0 HB3 CYS A 63 5.501 12.006 -5.199 1.00 0.00 H new ATOM 0 HG CYS A 63 7.743 14.421 -4.178 1.00 0.00 H new ATOM 964 N SER A 64 2.410 13.408 -3.844 1.00 0.00 N ATOM 965 CA SER A 64 1.064 12.934 -4.118 1.00 0.00 C ATOM 966 C SER A 64 0.927 12.572 -5.597 1.00 0.00 C ATOM 967 O SER A 64 1.891 12.667 -6.355 1.00 0.00 O ATOM 968 CB SER A 64 0.021 13.985 -3.730 1.00 0.00 C ATOM 969 OG SER A 64 0.463 15.308 -4.017 1.00 0.00 O ATOM 0 H SER A 64 2.478 14.405 -3.640 1.00 0.00 H new ATOM 0 HA SER A 64 0.886 12.044 -3.515 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.908 13.789 -4.266 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.201 13.900 -2.666 1.00 0.00 H new ATOM 0 HG SER A 64 -0.231 15.949 -3.757 1.00 0.00 H new ATOM 975 N GLY A 65 -0.280 12.163 -5.965 1.00 0.00 N ATOM 976 CA GLY A 65 -0.554 11.786 -7.340 1.00 0.00 C ATOM 977 C GLY A 65 -1.672 10.744 -7.410 1.00 0.00 C ATOM 978 O GLY A 65 -2.495 10.649 -6.500 1.00 0.00 O ATOM 0 H GLY A 65 -1.078 12.085 -5.334 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.838 12.669 -7.913 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.350 11.386 -7.798 1.00 0.00 H new ATOM 982 N VAL A 66 -1.667 9.989 -8.499 1.00 0.00 N ATOM 983 CA VAL A 66 -2.671 8.957 -8.699 1.00 0.00 C ATOM 984 C VAL A 66 -2.173 7.643 -8.094 1.00 0.00 C ATOM 985 O VAL A 66 -1.077 7.185 -8.412 1.00 0.00 O ATOM 986 CB VAL A 66 -3.012 8.840 -10.186 1.00 0.00 C ATOM 987 CG1 VAL A 66 -4.272 7.999 -10.394 1.00 0.00 C ATOM 988 CG2 VAL A 66 -3.163 10.222 -10.824 1.00 0.00 C ATOM 0 H VAL A 66 -0.984 10.071 -9.252 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.597 9.220 -8.187 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.185 8.332 -10.681 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.493 7.931 -11.459 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.112 6.998 -9.992 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.111 8.467 -9.879 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.405 10.110 -11.881 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.963 10.768 -10.324 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.228 10.774 -10.722 1.00 0.00 H new ATOM 998 N ALA A 67 -3.003 7.073 -7.233 1.00 0.00 N ATOM 999 CA ALA A 67 -2.661 5.820 -6.581 1.00 0.00 C ATOM 1000 C ALA A 67 -3.662 4.742 -6.999 1.00 0.00 C ATOM 1001 O ALA A 67 -4.864 4.997 -7.059 1.00 0.00 O ATOM 1002 CB ALA A 67 -2.625 6.027 -5.066 1.00 0.00 C ATOM 0 H ALA A 67 -3.912 7.456 -6.972 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.670 5.485 -6.888 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.369 5.088 -4.576 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.877 6.781 -4.819 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.604 6.361 -4.721 1.00 0.00 H new ATOM 1008 N CYS A 68 -3.130 3.561 -7.279 1.00 0.00 N ATOM 1009 CA CYS A 68 -3.963 2.443 -7.689 1.00 0.00 C ATOM 1010 C CYS A 68 -3.473 1.188 -6.964 1.00 0.00 C ATOM 1011 O CYS A 68 -2.290 1.070 -6.651 1.00 0.00 O ATOM 1012 CB CYS A 68 -3.958 2.263 -9.209 1.00 0.00 C ATOM 1013 SG CYS A 68 -2.264 1.891 -9.790 1.00 0.00 S ATOM 0 H CYS A 68 -2.132 3.354 -7.230 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.000 2.638 -7.415 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.633 1.455 -9.490 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.326 3.168 -9.692 1.00 0.00 H new ATOM 0 HG CYS A 68 -1.614 3.002 -9.974 1.00 0.00 H new ATOM 1019 N LEU A 69 -4.409 0.283 -6.720 1.00 0.00 N ATOM 1020 CA LEU A 69 -4.088 -0.959 -6.037 1.00 0.00 C ATOM 1021 C LEU A 69 -3.933 -2.079 -7.069 1.00 0.00 C ATOM 1022 O LEU A 69 -4.911 -2.499 -7.685 1.00 0.00 O ATOM 1023 CB LEU A 69 -5.127 -1.260 -4.955 1.00 0.00 C ATOM 1024 CG LEU A 69 -4.714 -2.285 -3.896 1.00 0.00 C ATOM 1025 CD1 LEU A 69 -4.851 -1.702 -2.487 1.00 0.00 C ATOM 1026 CD2 LEU A 69 -5.500 -3.587 -4.056 1.00 0.00 C ATOM 0 H LEU A 69 -5.389 0.385 -6.983 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.135 -0.871 -5.516 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.378 -0.327 -4.451 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.036 -1.615 -5.441 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.661 -2.525 -4.045 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.551 -2.450 -1.753 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.211 -0.824 -2.393 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.888 -1.416 -2.311 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.187 -4.297 -3.291 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.566 -3.384 -3.948 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.309 -4.009 -5.043 1.00 0.00 H new ATOM 1038 N VAL A 70 -2.697 -2.528 -7.228 1.00 0.00 N ATOM 1039 CA VAL A 70 -2.402 -3.589 -8.175 1.00 0.00 C ATOM 1040 C VAL A 70 -2.199 -4.901 -7.416 1.00 0.00 C ATOM 1041 O VAL A 70 -1.619 -4.912 -6.331 1.00 0.00 O ATOM 1042 CB VAL A 70 -1.198 -3.203 -9.035 1.00 0.00 C ATOM 1043 CG1 VAL A 70 -0.834 -4.327 -10.007 1.00 0.00 C ATOM 1044 CG2 VAL A 70 -1.456 -1.893 -9.783 1.00 0.00 C ATOM 0 H VAL A 70 -1.888 -2.176 -6.716 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.238 -3.735 -8.859 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.348 -3.048 -8.370 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.025 -4.026 -10.606 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.587 -5.228 -9.445 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.681 -4.529 -10.663 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.584 -1.641 -10.387 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.325 -2.009 -10.431 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.643 -1.095 -9.065 1.00 0.00 H new ATOM 1054 N LYS A 71 -2.687 -5.978 -8.016 1.00 0.00 N ATOM 1055 CA LYS A 71 -2.565 -7.293 -7.410 1.00 0.00 C ATOM 1056 C LYS A 71 -1.783 -8.212 -8.350 1.00 0.00 C ATOM 1057 O LYS A 71 -2.103 -8.315 -9.533 1.00 0.00 O ATOM 1058 CB LYS A 71 -3.943 -7.834 -7.027 1.00 0.00 C ATOM 1059 CG LYS A 71 -4.740 -8.238 -8.270 1.00 0.00 C ATOM 1060 CD LYS A 71 -6.158 -8.674 -7.894 1.00 0.00 C ATOM 1061 CE LYS A 71 -6.334 -10.182 -8.078 1.00 0.00 C ATOM 1062 NZ LYS A 71 -7.598 -10.474 -8.790 1.00 0.00 N ATOM 0 H LYS A 71 -3.168 -5.966 -8.916 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.000 -7.234 -6.479 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.829 -8.695 -6.368 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.493 -7.076 -6.469 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.786 -7.400 -8.965 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.230 -9.052 -8.785 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.363 -8.404 -6.858 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.882 -8.142 -8.511 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -5.492 -10.586 -8.640 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.335 -10.675 -7.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.701 -11.502 -8.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.400 -10.106 -8.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.582 -10.020 -9.725 1.00 0.00 H new ATOM 1076 N ASP A 72 -0.771 -8.857 -7.789 1.00 0.00 N ATOM 1077 CA ASP A 72 0.059 -9.764 -8.561 1.00 0.00 C ATOM 1078 C ASP A 72 -0.276 -11.207 -8.179 1.00 0.00 C ATOM 1079 O ASP A 72 0.284 -11.746 -7.225 1.00 0.00 O ATOM 1080 CB ASP A 72 1.545 -9.532 -8.274 1.00 0.00 C ATOM 1081 CG ASP A 72 2.496 -9.980 -9.386 1.00 0.00 C ATOM 1082 OD1 ASP A 72 2.160 -10.984 -10.049 1.00 0.00 O ATOM 1083 OD2 ASP A 72 3.538 -9.308 -9.545 1.00 0.00 O ATOM 0 H ASP A 72 -0.507 -8.769 -6.808 1.00 0.00 H new ATOM 0 HA ASP A 72 -0.137 -9.582 -9.618 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.702 -8.470 -8.088 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.809 -10.058 -7.357 1.00 0.00 H new ATOM 1157 N SER A 77 1.056 -12.323 -4.158 1.00 0.00 N ATOM 1158 CA SER A 77 0.671 -11.252 -3.255 1.00 0.00 C ATOM 1159 C SER A 77 0.221 -10.028 -4.055 1.00 0.00 C ATOM 1160 O SER A 77 0.085 -10.097 -5.275 1.00 0.00 O ATOM 1161 CB SER A 77 1.824 -10.880 -2.320 1.00 0.00 C ATOM 1162 OG SER A 77 1.422 -10.873 -0.953 1.00 0.00 O ATOM 0 HA SER A 77 -0.160 -11.603 -2.643 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.642 -11.588 -2.454 1.00 0.00 H new ATOM 0 HB3 SER A 77 2.207 -9.896 -2.590 1.00 0.00 H new ATOM 0 HG SER A 77 1.544 -9.975 -0.581 1.00 0.00 H new ATOM 1168 N TYR A 78 0.003 -8.938 -3.336 1.00 0.00 N ATOM 1169 CA TYR A 78 -0.429 -7.701 -3.964 1.00 0.00 C ATOM 1170 C TYR A 78 0.605 -6.592 -3.760 1.00 0.00 C ATOM 1171 O TYR A 78 1.437 -6.673 -2.859 1.00 0.00 O ATOM 1172 CB TYR A 78 -1.730 -7.304 -3.263 1.00 0.00 C ATOM 1173 CG TYR A 78 -2.735 -8.448 -3.123 1.00 0.00 C ATOM 1174 CD1 TYR A 78 -2.503 -9.464 -2.218 1.00 0.00 C ATOM 1175 CD2 TYR A 78 -3.875 -8.465 -3.901 1.00 0.00 C ATOM 1176 CE1 TYR A 78 -3.449 -10.542 -2.085 1.00 0.00 C ATOM 1177 CE2 TYR A 78 -4.822 -9.542 -3.768 1.00 0.00 C ATOM 1178 CZ TYR A 78 -4.561 -10.527 -2.867 1.00 0.00 C ATOM 1179 OH TYR A 78 -5.455 -11.544 -2.742 1.00 0.00 O ATOM 0 H TYR A 78 0.117 -8.885 -2.324 1.00 0.00 H new ATOM 0 HA TYR A 78 -0.558 -7.840 -5.037 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -1.493 -6.919 -2.271 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.196 -6.490 -3.818 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -1.611 -9.451 -1.609 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -4.057 -7.671 -4.610 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -3.279 -11.343 -1.381 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -5.719 -9.567 -4.370 1.00 0.00 H new ATOM 0 HH TYR A 78 -6.201 -11.402 -3.362 1.00 0.00 H new ATOM 1189 N PHE A 79 0.518 -5.582 -4.613 1.00 0.00 N ATOM 1190 CA PHE A 79 1.436 -4.458 -4.539 1.00 0.00 C ATOM 1191 C PHE A 79 0.776 -3.175 -5.050 1.00 0.00 C ATOM 1192 O PHE A 79 0.231 -3.151 -6.152 1.00 0.00 O ATOM 1193 CB PHE A 79 2.630 -4.795 -5.434 1.00 0.00 C ATOM 1194 CG PHE A 79 3.243 -6.170 -5.164 1.00 0.00 C ATOM 1195 CD1 PHE A 79 2.589 -7.295 -5.561 1.00 0.00 C ATOM 1196 CD2 PHE A 79 4.440 -6.269 -4.527 1.00 0.00 C ATOM 1197 CE1 PHE A 79 3.158 -8.572 -5.310 1.00 0.00 C ATOM 1198 CE2 PHE A 79 5.008 -7.545 -4.275 1.00 0.00 C ATOM 1199 CZ PHE A 79 4.355 -8.671 -4.672 1.00 0.00 C ATOM 0 H PHE A 79 -0.174 -5.519 -5.359 1.00 0.00 H new ATOM 0 HA PHE A 79 1.737 -4.292 -3.505 1.00 0.00 H new ATOM 0 HB2 PHE A 79 2.314 -4.748 -6.476 1.00 0.00 H new ATOM 0 HB3 PHE A 79 3.398 -4.034 -5.299 1.00 0.00 H new ATOM 0 HD1 PHE A 79 1.638 -7.217 -6.067 1.00 0.00 H new ATOM 0 HD2 PHE A 79 4.959 -5.376 -4.212 1.00 0.00 H new ATOM 0 HE1 PHE A 79 2.640 -9.465 -5.626 1.00 0.00 H new ATOM 0 HE2 PHE A 79 5.959 -7.622 -3.768 1.00 0.00 H new ATOM 0 HZ PHE A 79 4.787 -9.642 -4.481 1.00 0.00 H new ATOM 1209 N LEU A 80 0.847 -2.142 -4.223 1.00 0.00 N ATOM 1210 CA LEU A 80 0.262 -0.860 -4.577 1.00 0.00 C ATOM 1211 C LEU A 80 1.367 0.197 -4.649 1.00 0.00 C ATOM 1212 O LEU A 80 2.313 0.165 -3.863 1.00 0.00 O ATOM 1213 CB LEU A 80 -0.869 -0.502 -3.613 1.00 0.00 C ATOM 1214 CG LEU A 80 -0.566 0.610 -2.606 1.00 0.00 C ATOM 1215 CD1 LEU A 80 -1.163 1.942 -3.066 1.00 0.00 C ATOM 1216 CD2 LEU A 80 -1.039 0.225 -1.204 1.00 0.00 C ATOM 0 H LEU A 80 1.300 -2.167 -3.310 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.197 -0.911 -5.564 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.739 -0.207 -4.199 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.146 -1.400 -3.060 1.00 0.00 H new ATOM 0 HG LEU A 80 0.515 0.740 -2.556 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.934 2.716 -2.333 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.737 2.218 -4.031 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.244 1.842 -3.162 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.811 1.033 -0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.115 0.051 -1.218 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.528 -0.684 -0.884 1.00 0.00 H new ATOM 1228 N ARG A 81 1.211 1.107 -5.599 1.00 0.00 N ATOM 1229 CA ARG A 81 2.184 2.171 -5.783 1.00 0.00 C ATOM 1230 C ARG A 81 1.486 3.454 -6.241 1.00 0.00 C ATOM 1231 O ARG A 81 0.386 3.405 -6.788 1.00 0.00 O ATOM 1232 CB ARG A 81 3.241 1.777 -6.816 1.00 0.00 C ATOM 1233 CG ARG A 81 3.397 0.257 -6.889 1.00 0.00 C ATOM 1234 CD ARG A 81 4.307 -0.146 -8.051 1.00 0.00 C ATOM 1235 NE ARG A 81 5.384 -1.038 -7.566 1.00 0.00 N ATOM 1236 CZ ARG A 81 5.220 -2.344 -7.313 1.00 0.00 C ATOM 1237 NH1 ARG A 81 4.024 -2.918 -7.500 1.00 0.00 N ATOM 1238 NH2 ARG A 81 6.254 -3.075 -6.876 1.00 0.00 N ATOM 0 H ARG A 81 0.426 1.130 -6.250 1.00 0.00 H new ATOM 0 HA ARG A 81 2.675 2.342 -4.825 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.960 2.165 -7.795 1.00 0.00 H new ATOM 0 HB3 ARG A 81 4.197 2.232 -6.555 1.00 0.00 H new ATOM 0 HG2 ARG A 81 3.812 -0.115 -5.952 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.418 -0.207 -7.011 1.00 0.00 H new ATOM 0 HD2 ARG A 81 3.724 -0.651 -8.821 1.00 0.00 H new ATOM 0 HD3 ARG A 81 4.739 0.743 -8.510 1.00 0.00 H new ATOM 0 HE ARG A 81 6.308 -0.634 -7.415 1.00 0.00 H new ATOM 0 HH11 ARG A 81 3.238 -2.361 -7.835 1.00 0.00 H new ATOM 0 HH12 ARG A 81 3.900 -3.912 -7.307 1.00 0.00 H new ATOM 0 HH21 ARG A 81 7.165 -2.638 -6.736 1.00 0.00 H new ATOM 0 HH22 ARG A 81 6.130 -4.069 -6.683 1.00 0.00 H new ATOM 1252 N ILE A 82 2.156 4.571 -6.000 1.00 0.00 N ATOM 1253 CA ILE A 82 1.615 5.865 -6.381 1.00 0.00 C ATOM 1254 C ILE A 82 2.429 6.430 -7.547 1.00 0.00 C ATOM 1255 O ILE A 82 3.645 6.256 -7.602 1.00 0.00 O ATOM 1256 CB ILE A 82 1.548 6.795 -5.169 1.00 0.00 C ATOM 1257 CG1 ILE A 82 0.390 6.413 -4.246 1.00 0.00 C ATOM 1258 CG2 ILE A 82 1.473 8.260 -5.606 1.00 0.00 C ATOM 1259 CD1 ILE A 82 0.764 6.628 -2.778 1.00 0.00 C ATOM 0 H ILE A 82 3.069 4.607 -5.546 1.00 0.00 H new ATOM 0 HA ILE A 82 0.588 5.761 -6.730 1.00 0.00 H new ATOM 0 HB ILE A 82 2.468 6.675 -4.596 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.488 7.010 -4.492 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.121 5.369 -4.407 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.426 8.900 -4.725 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.358 8.511 -6.191 1.00 0.00 H new ATOM 0 HG23 ILE A 82 0.581 8.413 -6.214 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.077 6.349 -2.144 1.00 0.00 H new ATOM 0 HD12 ILE A 82 1.627 6.011 -2.528 1.00 0.00 H new ATOM 0 HD13 ILE A 82 1.009 7.678 -2.615 1.00 0.00 H new ATOM 1271 N PHE A 83 1.724 7.095 -8.451 1.00 0.00 N ATOM 1272 CA PHE A 83 2.366 7.687 -9.613 1.00 0.00 C ATOM 1273 C PHE A 83 2.086 9.190 -9.687 1.00 0.00 C ATOM 1274 O PHE A 83 1.046 9.656 -9.224 1.00 0.00 O ATOM 1275 CB PHE A 83 1.769 7.008 -10.847 1.00 0.00 C ATOM 1276 CG PHE A 83 0.458 6.268 -10.578 1.00 0.00 C ATOM 1277 CD1 PHE A 83 0.428 5.239 -9.689 1.00 0.00 C ATOM 1278 CD2 PHE A 83 -0.677 6.638 -11.228 1.00 0.00 C ATOM 1279 CE1 PHE A 83 -0.790 4.552 -9.440 1.00 0.00 C ATOM 1280 CE2 PHE A 83 -1.895 5.952 -10.979 1.00 0.00 C ATOM 1281 CZ PHE A 83 -1.925 4.923 -10.090 1.00 0.00 C ATOM 0 H PHE A 83 0.715 7.237 -8.402 1.00 0.00 H new ATOM 0 HA PHE A 83 3.445 7.548 -9.554 1.00 0.00 H new ATOM 0 HB2 PHE A 83 1.598 7.761 -11.616 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.497 6.302 -11.248 1.00 0.00 H new ATOM 0 HD1 PHE A 83 1.330 4.944 -9.173 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -0.652 7.455 -11.934 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -0.814 3.735 -8.734 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.797 6.247 -11.495 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.851 4.400 -9.900 1.00 0.00 H new ATOM 1291 N ASP A 84 3.033 9.906 -10.273 1.00 0.00 N ATOM 1292 CA ASP A 84 2.903 11.347 -10.414 1.00 0.00 C ATOM 1293 C ASP A 84 1.992 11.658 -11.604 1.00 0.00 C ATOM 1294 O ASP A 84 1.825 10.827 -12.496 1.00 0.00 O ATOM 1295 CB ASP A 84 4.261 12.001 -10.674 1.00 0.00 C ATOM 1296 CG ASP A 84 4.340 13.489 -10.329 1.00 0.00 C ATOM 1297 OD1 ASP A 84 3.393 14.211 -10.712 1.00 0.00 O ATOM 1298 OD2 ASP A 84 5.343 13.872 -9.691 1.00 0.00 O ATOM 0 H ASP A 84 3.894 9.516 -10.656 1.00 0.00 H new ATOM 0 HA ASP A 84 2.486 11.740 -9.487 1.00 0.00 H new ATOM 0 HB2 ASP A 84 5.019 11.470 -10.099 1.00 0.00 H new ATOM 0 HB3 ASP A 84 4.513 11.874 -11.727 1.00 0.00 H new ATOM 1303 N ILE A 85 1.428 12.856 -11.579 1.00 0.00 N ATOM 1304 CA ILE A 85 0.539 13.287 -12.645 1.00 0.00 C ATOM 1305 C ILE A 85 1.273 14.286 -13.543 1.00 0.00 C ATOM 1306 O ILE A 85 0.768 14.664 -14.599 1.00 0.00 O ATOM 1307 CB ILE A 85 -0.769 13.827 -12.066 1.00 0.00 C ATOM 1308 CG1 ILE A 85 -1.706 14.305 -13.177 1.00 0.00 C ATOM 1309 CG2 ILE A 85 -0.501 14.924 -11.034 1.00 0.00 C ATOM 1310 CD1 ILE A 85 -3.164 14.276 -12.716 1.00 0.00 C ATOM 0 H ILE A 85 1.569 13.542 -10.838 1.00 0.00 H new ATOM 0 HA ILE A 85 0.258 12.441 -13.272 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.273 13.012 -11.547 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -1.435 15.318 -13.475 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -1.586 13.672 -14.056 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.448 15.290 -10.638 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.100 14.519 -10.220 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.036 15.746 -11.508 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.808 14.621 -13.525 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.439 13.257 -12.442 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -3.285 14.929 -11.852 1.00 0.00 H new ATOM 1322 N LYS A 86 2.453 14.683 -13.091 1.00 0.00 N ATOM 1323 CA LYS A 86 3.262 15.629 -13.840 1.00 0.00 C ATOM 1324 C LYS A 86 4.507 14.920 -14.374 1.00 0.00 C ATOM 1325 O LYS A 86 4.912 15.143 -15.515 1.00 0.00 O ATOM 1326 CB LYS A 86 3.574 16.860 -12.986 1.00 0.00 C ATOM 1327 CG LYS A 86 2.741 18.064 -13.435 1.00 0.00 C ATOM 1328 CD LYS A 86 3.527 19.366 -13.271 1.00 0.00 C ATOM 1329 CE LYS A 86 2.700 20.417 -12.530 1.00 0.00 C ATOM 1330 NZ LYS A 86 2.855 20.261 -11.066 1.00 0.00 N ATOM 0 H LYS A 86 2.869 14.367 -12.215 1.00 0.00 H new ATOM 0 HA LYS A 86 2.711 16.000 -14.705 1.00 0.00 H new ATOM 0 HB2 LYS A 86 3.369 16.642 -11.938 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.635 17.099 -13.060 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.449 17.940 -14.478 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.822 18.113 -12.850 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.449 19.172 -12.723 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.813 19.748 -14.251 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.017 21.416 -12.831 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.649 20.320 -12.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.287 20.983 -10.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.531 19.315 -10.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.856 20.376 -10.809 1.00 0.00 H new ATOM 1344 N ASP A 87 5.080 14.079 -13.525 1.00 0.00 N ATOM 1345 CA ASP A 87 6.271 13.335 -13.898 1.00 0.00 C ATOM 1346 C ASP A 87 5.864 11.954 -14.412 1.00 0.00 C ATOM 1347 O ASP A 87 6.675 11.245 -15.005 1.00 0.00 O ATOM 1348 CB ASP A 87 7.196 13.138 -12.695 1.00 0.00 C ATOM 1349 CG ASP A 87 8.532 12.462 -13.009 1.00 0.00 C ATOM 1350 OD1 ASP A 87 9.022 12.672 -14.140 1.00 0.00 O ATOM 1351 OD2 ASP A 87 9.032 11.750 -12.113 1.00 0.00 O ATOM 0 H ASP A 87 4.741 13.897 -12.580 1.00 0.00 H new ATOM 0 HA ASP A 87 6.795 13.901 -14.668 1.00 0.00 H new ATOM 0 HB2 ASP A 87 7.395 14.111 -12.246 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.672 12.543 -11.947 1.00 0.00 H new ATOM 1356 N GLY A 88 4.608 11.613 -14.166 1.00 0.00 N ATOM 1357 CA GLY A 88 4.083 10.328 -14.597 1.00 0.00 C ATOM 1358 C GLY A 88 5.071 9.201 -14.290 1.00 0.00 C ATOM 1359 O GLY A 88 5.367 8.377 -15.153 1.00 0.00 O ATOM 0 H GLY A 88 3.938 12.204 -13.674 1.00 0.00 H new ATOM 0 HA2 GLY A 88 3.135 10.132 -14.096 1.00 0.00 H new ATOM 0 HA3 GLY A 88 3.878 10.355 -15.667 1.00 0.00 H new ATOM 1363 N LYS A 89 5.555 9.201 -13.056 1.00 0.00 N ATOM 1364 CA LYS A 89 6.503 8.189 -12.623 1.00 0.00 C ATOM 1365 C LYS A 89 6.119 7.701 -11.225 1.00 0.00 C ATOM 1366 O LYS A 89 5.207 8.244 -10.604 1.00 0.00 O ATOM 1367 CB LYS A 89 7.934 8.721 -12.719 1.00 0.00 C ATOM 1368 CG LYS A 89 8.504 8.514 -14.124 1.00 0.00 C ATOM 1369 CD LYS A 89 10.030 8.416 -14.087 1.00 0.00 C ATOM 1370 CE LYS A 89 10.675 9.711 -14.587 1.00 0.00 C ATOM 1371 NZ LYS A 89 11.699 9.417 -15.615 1.00 0.00 N ATOM 0 H LYS A 89 5.308 9.887 -12.342 1.00 0.00 H new ATOM 0 HA LYS A 89 6.465 7.323 -13.283 1.00 0.00 H new ATOM 0 HB2 LYS A 89 7.949 9.782 -12.470 1.00 0.00 H new ATOM 0 HB3 LYS A 89 8.564 8.213 -11.989 1.00 0.00 H new ATOM 0 HG2 LYS A 89 8.088 7.605 -14.559 1.00 0.00 H new ATOM 0 HG3 LYS A 89 8.205 9.341 -14.767 1.00 0.00 H new ATOM 0 HD2 LYS A 89 10.360 8.211 -13.069 1.00 0.00 H new ATOM 0 HD3 LYS A 89 10.359 7.580 -14.704 1.00 0.00 H new ATOM 0 HE2 LYS A 89 9.911 10.367 -15.004 1.00 0.00 H new ATOM 0 HE3 LYS A 89 11.131 10.243 -13.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 12.127 10.306 -15.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 12.437 8.808 -15.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 11.254 8.929 -16.419 1.00 0.00 H new ATOM 1385 N LEU A 90 6.836 6.683 -10.770 1.00 0.00 N ATOM 1386 CA LEU A 90 6.582 6.117 -9.457 1.00 0.00 C ATOM 1387 C LEU A 90 7.041 7.105 -8.383 1.00 0.00 C ATOM 1388 O LEU A 90 8.178 7.574 -8.410 1.00 0.00 O ATOM 1389 CB LEU A 90 7.227 4.734 -9.337 1.00 0.00 C ATOM 1390 CG LEU A 90 6.287 3.587 -8.960 1.00 0.00 C ATOM 1391 CD1 LEU A 90 5.747 2.888 -10.209 1.00 0.00 C ATOM 1392 CD2 LEU A 90 6.973 2.607 -8.005 1.00 0.00 C ATOM 0 H LEU A 90 7.593 6.236 -11.288 1.00 0.00 H new ATOM 0 HA LEU A 90 5.514 5.960 -9.310 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.700 4.492 -10.288 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.020 4.788 -8.591 1.00 0.00 H new ATOM 0 HG LEU A 90 5.431 4.006 -8.431 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.082 2.077 -9.913 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.196 3.605 -10.818 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.578 2.483 -10.787 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.283 1.802 -7.753 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.858 2.190 -8.486 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.267 3.131 -7.095 1.00 0.00 H new ATOM 1404 N LEU A 91 6.132 7.394 -7.463 1.00 0.00 N ATOM 1405 CA LEU A 91 6.429 8.318 -6.382 1.00 0.00 C ATOM 1406 C LEU A 91 6.459 7.553 -5.057 1.00 0.00 C ATOM 1407 O LEU A 91 7.060 8.010 -4.086 1.00 0.00 O ATOM 1408 CB LEU A 91 5.445 9.490 -6.393 1.00 0.00 C ATOM 1409 CG LEU A 91 5.621 10.501 -7.527 1.00 0.00 C ATOM 1410 CD1 LEU A 91 4.404 11.421 -7.635 1.00 0.00 C ATOM 1411 CD2 LEU A 91 6.921 11.289 -7.362 1.00 0.00 C ATOM 0 H LEU A 91 5.190 7.004 -7.444 1.00 0.00 H new ATOM 0 HA LEU A 91 7.416 8.759 -6.519 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.433 9.089 -6.444 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.530 10.019 -5.444 1.00 0.00 H new ATOM 0 HG LEU A 91 5.694 9.952 -8.466 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.555 12.130 -8.449 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.514 10.825 -7.834 1.00 0.00 H new ATOM 0 HD13 LEU A 91 4.275 11.965 -6.699 1.00 0.00 H new ATOM 0 HD21 LEU A 91 7.022 12.001 -8.181 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.903 11.827 -6.414 1.00 0.00 H new ATOM 0 HD23 LEU A 91 7.767 10.602 -7.373 1.00 0.00 H new ATOM 1423 N TRP A 92 5.803 6.401 -5.059 1.00 0.00 N ATOM 1424 CA TRP A 92 5.747 5.569 -3.869 1.00 0.00 C ATOM 1425 C TRP A 92 5.304 4.168 -4.294 1.00 0.00 C ATOM 1426 O TRP A 92 4.526 4.017 -5.235 1.00 0.00 O ATOM 1427 CB TRP A 92 4.835 6.189 -2.809 1.00 0.00 C ATOM 1428 CG TRP A 92 4.660 5.326 -1.558 1.00 0.00 C ATOM 1429 CD1 TRP A 92 5.504 5.185 -0.527 1.00 0.00 C ATOM 1430 CD2 TRP A 92 3.528 4.486 -1.245 1.00 0.00 C ATOM 1431 NE1 TRP A 92 5.003 4.318 0.422 1.00 0.00 N ATOM 1432 CE2 TRP A 92 3.764 3.880 -0.029 1.00 0.00 C ATOM 1433 CE3 TRP A 92 2.347 4.246 -1.968 1.00 0.00 C ATOM 1434 CZ2 TRP A 92 2.861 2.995 0.574 1.00 0.00 C ATOM 1435 CZ3 TRP A 92 1.455 3.359 -1.353 1.00 0.00 C ATOM 1436 CH2 TRP A 92 1.677 2.740 -0.127 1.00 0.00 C ATOM 0 H TRP A 92 5.306 6.025 -5.866 1.00 0.00 H new ATOM 0 HA TRP A 92 6.729 5.497 -3.401 1.00 0.00 H new ATOM 0 HB2 TRP A 92 5.241 7.157 -2.516 1.00 0.00 H new ATOM 0 HB3 TRP A 92 3.856 6.374 -3.250 1.00 0.00 H new ATOM 0 HD1 TRP A 92 6.457 5.687 -0.449 1.00 0.00 H new ATOM 0 HE1 TRP A 92 5.458 4.048 1.294 1.00 0.00 H new ATOM 0 HE3 TRP A 92 2.144 4.709 -2.922 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 3.067 2.534 1.529 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 0.530 3.140 -1.866 1.00 0.00 H new ATOM 0 HH2 TRP A 92 0.939 2.066 0.282 1.00 0.00 H new ATOM 1447 N GLU A 93 5.819 3.177 -3.580 1.00 0.00 N ATOM 1448 CA GLU A 93 5.485 1.793 -3.870 1.00 0.00 C ATOM 1449 C GLU A 93 5.481 0.967 -2.583 1.00 0.00 C ATOM 1450 O GLU A 93 6.408 1.059 -1.778 1.00 0.00 O ATOM 1451 CB GLU A 93 6.451 1.201 -4.899 1.00 0.00 C ATOM 1452 CG GLU A 93 7.893 1.253 -4.391 1.00 0.00 C ATOM 1453 CD GLU A 93 8.729 2.238 -5.211 1.00 0.00 C ATOM 1454 OE1 GLU A 93 9.027 1.896 -6.375 1.00 0.00 O ATOM 1455 OE2 GLU A 93 9.050 3.310 -4.653 1.00 0.00 O ATOM 0 H GLU A 93 6.465 3.306 -2.801 1.00 0.00 H new ATOM 0 HA GLU A 93 4.484 1.763 -4.300 1.00 0.00 H new ATOM 0 HB2 GLU A 93 6.174 0.169 -5.112 1.00 0.00 H new ATOM 0 HB3 GLU A 93 6.372 1.752 -5.836 1.00 0.00 H new ATOM 0 HG2 GLU A 93 7.902 1.548 -3.342 1.00 0.00 H new ATOM 0 HG3 GLU A 93 8.338 0.259 -4.446 1.00 0.00 H new ATOM 1462 N GLN A 94 4.429 0.177 -2.427 1.00 0.00 N ATOM 1463 CA GLN A 94 4.292 -0.665 -1.251 1.00 0.00 C ATOM 1464 C GLN A 94 4.019 -2.113 -1.663 1.00 0.00 C ATOM 1465 O GLN A 94 3.205 -2.366 -2.550 1.00 0.00 O ATOM 1466 CB GLN A 94 3.191 -0.141 -0.326 1.00 0.00 C ATOM 1467 CG GLN A 94 3.502 -0.468 1.135 1.00 0.00 C ATOM 1468 CD GLN A 94 3.021 -1.874 1.498 1.00 0.00 C ATOM 1469 OE1 GLN A 94 1.835 -2.150 1.582 1.00 0.00 O ATOM 1470 NE2 GLN A 94 4.005 -2.745 1.707 1.00 0.00 N ATOM 0 H GLN A 94 3.663 0.102 -3.096 1.00 0.00 H new ATOM 0 HA GLN A 94 5.230 -0.636 -0.697 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.091 0.938 -0.448 1.00 0.00 H new ATOM 0 HB3 GLN A 94 2.235 -0.583 -0.606 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.576 -0.391 1.308 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.022 0.263 1.785 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.977 -2.447 1.620 1.00 0.00 H new ATOM 0 HE22 GLN A 94 3.788 -3.710 1.954 1.00 0.00 H new ATOM 1479 N GLU A 95 4.715 -3.024 -1.001 1.00 0.00 N ATOM 1480 CA GLU A 95 4.558 -4.441 -1.288 1.00 0.00 C ATOM 1481 C GLU A 95 3.621 -5.088 -0.267 1.00 0.00 C ATOM 1482 O GLU A 95 4.076 -5.668 0.719 1.00 0.00 O ATOM 1483 CB GLU A 95 5.913 -5.149 -1.315 1.00 0.00 C ATOM 1484 CG GLU A 95 6.767 -4.656 -2.485 1.00 0.00 C ATOM 1485 CD GLU A 95 8.202 -4.375 -2.037 1.00 0.00 C ATOM 1486 OE1 GLU A 95 8.353 -3.593 -1.073 1.00 0.00 O ATOM 1487 OE2 GLU A 95 9.117 -4.946 -2.668 1.00 0.00 O ATOM 0 H GLU A 95 5.389 -2.810 -0.266 1.00 0.00 H new ATOM 0 HA GLU A 95 4.113 -4.544 -2.277 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.439 -4.972 -0.377 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.763 -6.225 -1.398 1.00 0.00 H new ATOM 0 HG2 GLU A 95 6.770 -5.404 -3.278 1.00 0.00 H new ATOM 0 HG3 GLU A 95 6.329 -3.750 -2.903 1.00 0.00 H new ATOM 1494 N LEU A 96 2.329 -4.967 -0.537 1.00 0.00 N ATOM 1495 CA LEU A 96 1.324 -5.535 0.347 1.00 0.00 C ATOM 1496 C LEU A 96 1.818 -6.883 0.875 1.00 0.00 C ATOM 1497 O LEU A 96 1.875 -7.861 0.132 1.00 0.00 O ATOM 1498 CB LEU A 96 -0.031 -5.609 -0.361 1.00 0.00 C ATOM 1499 CG LEU A 96 -0.607 -4.279 -0.848 1.00 0.00 C ATOM 1500 CD1 LEU A 96 -1.775 -4.507 -1.810 1.00 0.00 C ATOM 1501 CD2 LEU A 96 -1.002 -3.388 0.331 1.00 0.00 C ATOM 0 H LEU A 96 1.955 -4.485 -1.354 1.00 0.00 H new ATOM 0 HA LEU A 96 1.170 -4.891 1.213 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.065 -6.276 -1.218 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.750 -6.066 0.319 1.00 0.00 H new ATOM 0 HG LEU A 96 0.170 -3.753 -1.403 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.166 -3.545 -2.141 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.429 -5.075 -2.674 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.562 -5.063 -1.301 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.409 -2.448 -0.043 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.755 -3.895 0.934 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.124 -3.185 0.944 1.00 0.00 H new ATOM 1513 N TYR A 97 2.160 -6.891 2.155 1.00 0.00 N ATOM 1514 CA TYR A 97 2.647 -8.103 2.791 1.00 0.00 C ATOM 1515 C TYR A 97 1.747 -8.508 3.961 1.00 0.00 C ATOM 1516 O TYR A 97 0.976 -7.693 4.466 1.00 0.00 O ATOM 1517 CB TYR A 97 4.040 -7.769 3.327 1.00 0.00 C ATOM 1518 CG TYR A 97 4.177 -6.339 3.855 1.00 0.00 C ATOM 1519 CD1 TYR A 97 3.432 -5.932 4.944 1.00 0.00 C ATOM 1520 CD2 TYR A 97 5.044 -5.458 3.243 1.00 0.00 C ATOM 1521 CE1 TYR A 97 3.561 -4.586 5.441 1.00 0.00 C ATOM 1522 CE2 TYR A 97 5.172 -4.112 3.740 1.00 0.00 C ATOM 1523 CZ TYR A 97 4.424 -3.743 4.815 1.00 0.00 C ATOM 1524 OH TYR A 97 4.545 -2.472 5.284 1.00 0.00 O ATOM 0 H TYR A 97 2.109 -6.078 2.769 1.00 0.00 H new ATOM 0 HA TYR A 97 2.660 -8.930 2.081 1.00 0.00 H new ATOM 0 HB2 TYR A 97 4.287 -8.466 4.128 1.00 0.00 H new ATOM 0 HB3 TYR A 97 4.770 -7.924 2.533 1.00 0.00 H new ATOM 0 HD1 TYR A 97 2.753 -6.622 5.423 1.00 0.00 H new ATOM 0 HD2 TYR A 97 5.627 -5.777 2.392 1.00 0.00 H new ATOM 0 HE1 TYR A 97 2.985 -4.254 6.292 1.00 0.00 H new ATOM 0 HE2 TYR A 97 5.846 -3.412 3.270 1.00 0.00 H new ATOM 0 HH TYR A 97 5.198 -1.983 4.740 1.00 0.00 H new ATOM 1534 N ASN A 98 1.875 -9.765 4.358 1.00 0.00 N ATOM 1535 CA ASN A 98 1.084 -10.288 5.459 1.00 0.00 C ATOM 1536 C ASN A 98 -0.382 -9.893 5.260 1.00 0.00 C ATOM 1537 O ASN A 98 -0.760 -9.414 4.192 1.00 0.00 O ATOM 1538 CB ASN A 98 1.551 -9.709 6.796 1.00 0.00 C ATOM 1539 CG ASN A 98 1.509 -10.771 7.896 1.00 0.00 C ATOM 1540 OD1 ASN A 98 1.508 -11.964 7.644 1.00 0.00 O ATOM 1541 ND2 ASN A 98 1.476 -10.272 9.129 1.00 0.00 N ATOM 0 H ASN A 98 2.515 -10.438 3.936 1.00 0.00 H new ATOM 0 HA ASN A 98 1.201 -11.372 5.474 1.00 0.00 H new ATOM 0 HB2 ASN A 98 2.566 -9.324 6.695 1.00 0.00 H new ATOM 0 HB3 ASN A 98 0.917 -8.867 7.074 1.00 0.00 H new ATOM 0 HD21 ASN A 98 1.448 -10.900 9.933 1.00 0.00 H new ATOM 0 HD22 ASN A 98 1.479 -9.262 9.271 1.00 0.00 H new ATOM 1548 N ASN A 99 -1.166 -10.110 6.305 1.00 0.00 N ATOM 1549 CA ASN A 99 -2.582 -9.783 6.258 1.00 0.00 C ATOM 1550 C ASN A 99 -2.761 -8.280 6.486 1.00 0.00 C ATOM 1551 O ASN A 99 -3.590 -7.867 7.296 1.00 0.00 O ATOM 1552 CB ASN A 99 -3.354 -10.523 7.352 1.00 0.00 C ATOM 1553 CG ASN A 99 -2.797 -10.191 8.738 1.00 0.00 C ATOM 1554 OD1 ASN A 99 -1.785 -9.525 8.885 1.00 0.00 O ATOM 1555 ND2 ASN A 99 -3.510 -10.692 9.741 1.00 0.00 N ATOM 0 H ASN A 99 -0.849 -10.508 7.189 1.00 0.00 H new ATOM 0 HA ASN A 99 -2.966 -10.081 5.282 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -4.408 -10.251 7.305 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -3.294 -11.598 7.180 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -3.220 -10.528 10.705 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -4.347 -11.241 9.547 1.00 0.00 H new ATOM 1562 N PHE A 100 -1.972 -7.505 5.758 1.00 0.00 N ATOM 1563 CA PHE A 100 -2.033 -6.058 5.871 1.00 0.00 C ATOM 1564 C PHE A 100 -3.453 -5.594 6.200 1.00 0.00 C ATOM 1565 O PHE A 100 -4.426 -6.148 5.688 1.00 0.00 O ATOM 1566 CB PHE A 100 -1.623 -5.486 4.513 1.00 0.00 C ATOM 1567 CG PHE A 100 -1.428 -3.968 4.511 1.00 0.00 C ATOM 1568 CD1 PHE A 100 -0.227 -3.436 4.865 1.00 0.00 C ATOM 1569 CD2 PHE A 100 -2.454 -3.150 4.155 1.00 0.00 C ATOM 1570 CE1 PHE A 100 -0.045 -2.028 4.864 1.00 0.00 C ATOM 1571 CE2 PHE A 100 -2.272 -1.742 4.153 1.00 0.00 C ATOM 1572 CZ PHE A 100 -1.072 -1.211 4.507 1.00 0.00 C ATOM 0 H PHE A 100 -1.286 -7.852 5.087 1.00 0.00 H new ATOM 0 HA PHE A 100 -1.374 -5.718 6.670 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -0.695 -5.962 4.195 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -2.383 -5.745 3.776 1.00 0.00 H new ATOM 0 HD1 PHE A 100 0.589 -4.085 5.147 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -3.408 -3.571 3.874 1.00 0.00 H new ATOM 0 HE1 PHE A 100 0.908 -1.606 5.146 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -3.087 -1.093 3.870 1.00 0.00 H new ATOM 0 HZ PHE A 100 -0.934 -0.140 4.505 1.00 0.00 H new ATOM 1582 N VAL A 101 -3.529 -4.581 7.051 1.00 0.00 N ATOM 1583 CA VAL A 101 -4.814 -4.036 7.454 1.00 0.00 C ATOM 1584 C VAL A 101 -4.890 -2.564 7.042 1.00 0.00 C ATOM 1585 O VAL A 101 -3.864 -1.913 6.860 1.00 0.00 O ATOM 1586 CB VAL A 101 -5.026 -4.249 8.954 1.00 0.00 C ATOM 1587 CG1 VAL A 101 -3.867 -3.658 9.760 1.00 0.00 C ATOM 1588 CG2 VAL A 101 -6.364 -3.661 9.408 1.00 0.00 C ATOM 0 H VAL A 101 -2.721 -4.123 7.473 1.00 0.00 H new ATOM 0 HA VAL A 101 -5.626 -4.558 6.948 1.00 0.00 H new ATOM 0 HB VAL A 101 -5.051 -5.323 9.140 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.042 -3.823 10.823 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.936 -4.142 9.466 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -3.797 -2.588 9.565 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.490 -3.826 10.478 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -6.380 -2.591 9.202 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.177 -4.147 8.868 1.00 0.00 H new ATOM 1598 N TYR A 102 -6.118 -2.085 6.905 1.00 0.00 N ATOM 1599 CA TYR A 102 -6.342 -0.702 6.518 1.00 0.00 C ATOM 1600 C TYR A 102 -7.141 0.045 7.589 1.00 0.00 C ATOM 1601 O TYR A 102 -8.168 -0.446 8.058 1.00 0.00 O ATOM 1602 CB TYR A 102 -7.164 -0.753 5.228 1.00 0.00 C ATOM 1603 CG TYR A 102 -6.725 0.260 4.170 1.00 0.00 C ATOM 1604 CD1 TYR A 102 -5.383 0.519 3.977 1.00 0.00 C ATOM 1605 CD2 TYR A 102 -7.671 0.917 3.409 1.00 0.00 C ATOM 1606 CE1 TYR A 102 -4.970 1.473 2.981 1.00 0.00 C ATOM 1607 CE2 TYR A 102 -7.257 1.871 2.413 1.00 0.00 C ATOM 1608 CZ TYR A 102 -5.927 2.102 2.248 1.00 0.00 C ATOM 1609 OH TYR A 102 -5.537 3.003 1.308 1.00 0.00 O ATOM 0 H TYR A 102 -6.967 -2.629 7.055 1.00 0.00 H new ATOM 0 HA TYR A 102 -5.393 -0.181 6.389 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -7.097 -1.756 4.806 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -8.212 -0.579 5.470 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -4.643 0.006 4.573 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -8.721 0.716 3.561 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -3.923 1.684 2.820 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -7.987 2.392 1.810 1.00 0.00 H new ATOM 0 HH TYR A 102 -6.088 2.896 0.504 1.00 0.00 H new ATOM 1619 N ASN A 103 -6.641 1.219 7.943 1.00 0.00 N ATOM 1620 CA ASN A 103 -7.295 2.038 8.949 1.00 0.00 C ATOM 1621 C ASN A 103 -7.848 3.304 8.290 1.00 0.00 C ATOM 1622 O ASN A 103 -7.336 3.747 7.264 1.00 0.00 O ATOM 1623 CB ASN A 103 -6.309 2.465 10.039 1.00 0.00 C ATOM 1624 CG ASN A 103 -6.165 1.375 11.104 1.00 0.00 C ATOM 1625 OD1 ASN A 103 -6.838 0.358 11.084 1.00 0.00 O ATOM 1626 ND2 ASN A 103 -5.253 1.645 12.034 1.00 0.00 N ATOM 0 H ASN A 103 -5.790 1.623 7.551 1.00 0.00 H new ATOM 0 HA ASN A 103 -8.094 1.447 9.397 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -5.336 2.674 9.593 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -6.652 3.389 10.503 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -5.083 0.981 12.789 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -4.724 2.516 11.992 1.00 0.00 H new ATOM 1633 N SER A 104 -8.885 3.849 8.907 1.00 0.00 N ATOM 1634 CA SER A 104 -9.512 5.055 8.394 1.00 0.00 C ATOM 1635 C SER A 104 -10.307 5.744 9.503 1.00 0.00 C ATOM 1636 O SER A 104 -11.532 5.642 9.550 1.00 0.00 O ATOM 1637 CB SER A 104 -10.423 4.738 7.206 1.00 0.00 C ATOM 1638 OG SER A 104 -11.285 5.828 6.889 1.00 0.00 O ATOM 0 H SER A 104 -9.307 3.478 9.758 1.00 0.00 H new ATOM 0 HA SER A 104 -8.728 5.728 8.047 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.813 4.493 6.336 1.00 0.00 H new ATOM 0 HB3 SER A 104 -11.022 3.856 7.433 1.00 0.00 H new ATOM 0 HG SER A 104 -11.882 6.004 7.646 1.00 0.00 H new ATOM 1644 N PRO A 105 -9.559 6.451 10.393 1.00 0.00 N ATOM 1645 CA PRO A 105 -10.182 7.157 11.500 1.00 0.00 C ATOM 1646 C PRO A 105 -10.873 8.434 11.015 1.00 0.00 C ATOM 1647 O PRO A 105 -11.675 9.022 11.740 1.00 0.00 O ATOM 1648 CB PRO A 105 -9.051 7.429 12.479 1.00 0.00 C ATOM 1649 CG PRO A 105 -7.765 7.282 11.682 1.00 0.00 C ATOM 1650 CD PRO A 105 -8.107 6.595 10.369 1.00 0.00 C ATOM 0 HA PRO A 105 -10.973 6.578 11.977 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -9.135 8.429 12.904 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -9.077 6.726 13.311 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.317 8.258 11.497 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -7.034 6.697 12.240 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -7.782 7.189 9.515 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.614 5.626 10.289 1.00 0.00 H new ATOM 1658 N ARG A 106 -10.537 8.825 9.795 1.00 0.00 N ATOM 1659 CA ARG A 106 -11.116 10.020 9.205 1.00 0.00 C ATOM 1660 C ARG A 106 -12.114 9.642 8.110 1.00 0.00 C ATOM 1661 O ARG A 106 -12.426 8.466 7.928 1.00 0.00 O ATOM 1662 CB ARG A 106 -10.033 10.920 8.611 1.00 0.00 C ATOM 1663 CG ARG A 106 -10.257 12.382 9.002 1.00 0.00 C ATOM 1664 CD ARG A 106 -9.748 12.655 10.419 1.00 0.00 C ATOM 1665 NE ARG A 106 -10.723 13.491 11.155 1.00 0.00 N ATOM 1666 CZ ARG A 106 -10.850 14.814 10.994 1.00 0.00 C ATOM 1667 NH1 ARG A 106 -10.066 15.461 10.121 1.00 0.00 N ATOM 1668 NH2 ARG A 106 -11.761 15.492 11.704 1.00 0.00 N ATOM 0 H ARG A 106 -9.871 8.335 9.198 1.00 0.00 H new ATOM 0 HA ARG A 106 -11.631 10.565 9.997 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -9.053 10.593 8.959 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -10.033 10.827 7.525 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.743 13.034 8.295 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -11.319 12.620 8.941 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -9.593 11.714 10.946 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -8.783 13.160 10.377 1.00 0.00 H new ATOM 0 HE ARG A 106 -11.337 13.030 11.827 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -9.372 14.946 9.579 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -10.163 16.469 9.998 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -12.359 15.000 12.368 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -11.857 16.500 11.581 1.00 0.00 H new ATOM 1682 N GLY A 107 -12.587 10.661 7.407 1.00 0.00 N ATOM 1683 CA GLY A 107 -13.543 10.450 6.334 1.00 0.00 C ATOM 1684 C GLY A 107 -12.859 9.859 5.098 1.00 0.00 C ATOM 1685 O GLY A 107 -13.258 8.803 4.609 1.00 0.00 O ATOM 0 H GLY A 107 -12.326 11.635 7.560 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -14.333 9.779 6.672 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -14.018 11.396 6.074 1.00 0.00 H new ATOM 1689 N TYR A 108 -11.842 10.566 4.629 1.00 0.00 N ATOM 1690 CA TYR A 108 -11.099 10.125 3.461 1.00 0.00 C ATOM 1691 C TYR A 108 -9.593 10.150 3.727 1.00 0.00 C ATOM 1692 O TYR A 108 -8.818 10.606 2.888 1.00 0.00 O ATOM 1693 CB TYR A 108 -11.425 11.126 2.352 1.00 0.00 C ATOM 1694 CG TYR A 108 -11.314 12.591 2.781 1.00 0.00 C ATOM 1695 CD1 TYR A 108 -12.285 13.148 3.588 1.00 0.00 C ATOM 1696 CD2 TYR A 108 -10.243 13.353 2.363 1.00 0.00 C ATOM 1697 CE1 TYR A 108 -12.181 14.526 3.993 1.00 0.00 C ATOM 1698 CE2 TYR A 108 -10.138 14.731 2.768 1.00 0.00 C ATOM 1699 CZ TYR A 108 -11.113 15.250 3.562 1.00 0.00 C ATOM 1700 OH TYR A 108 -11.014 16.550 3.946 1.00 0.00 O ATOM 0 H TYR A 108 -11.515 11.442 5.037 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.372 9.103 3.196 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -10.753 10.953 1.512 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -12.437 10.939 1.994 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -13.123 12.551 3.916 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -9.483 12.916 1.732 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -12.934 14.974 4.624 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.304 15.339 2.449 1.00 0.00 H new ATOM 0 HH TYR A 108 -10.201 16.943 3.565 1.00 0.00 H new ATOM 1710 N PHE A 109 -9.223 9.654 4.899 1.00 0.00 N ATOM 1711 CA PHE A 109 -7.824 9.614 5.286 1.00 0.00 C ATOM 1712 C PHE A 109 -7.481 8.289 5.972 1.00 0.00 C ATOM 1713 O PHE A 109 -7.851 8.069 7.124 1.00 0.00 O ATOM 1714 CB PHE A 109 -7.600 10.758 6.276 1.00 0.00 C ATOM 1715 CG PHE A 109 -6.126 11.096 6.516 1.00 0.00 C ATOM 1716 CD1 PHE A 109 -5.420 11.766 5.567 1.00 0.00 C ATOM 1717 CD2 PHE A 109 -5.525 10.725 7.678 1.00 0.00 C ATOM 1718 CE1 PHE A 109 -4.052 12.078 5.789 1.00 0.00 C ATOM 1719 CE2 PHE A 109 -4.158 11.038 7.900 1.00 0.00 C ATOM 1720 CZ PHE A 109 -3.450 11.708 6.951 1.00 0.00 C ATOM 0 H PHE A 109 -9.868 9.277 5.593 1.00 0.00 H new ATOM 0 HA PHE A 109 -7.192 9.710 4.403 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -8.111 11.648 5.908 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -8.062 10.496 7.228 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -5.899 12.061 4.645 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -6.087 10.193 8.431 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -3.490 12.609 5.035 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -3.680 10.744 8.823 1.00 0.00 H new ATOM 0 HZ PHE A 109 -2.410 11.946 7.120 1.00 0.00 H new ATOM 1730 N HIS A 110 -6.780 7.442 5.234 1.00 0.00 N ATOM 1731 CA HIS A 110 -6.385 6.144 5.756 1.00 0.00 C ATOM 1732 C HIS A 110 -4.922 6.196 6.203 1.00 0.00 C ATOM 1733 O HIS A 110 -4.072 6.735 5.496 1.00 0.00 O ATOM 1734 CB HIS A 110 -6.653 5.041 4.731 1.00 0.00 C ATOM 1735 CG HIS A 110 -8.025 5.107 4.103 1.00 0.00 C ATOM 1736 ND1 HIS A 110 -8.384 4.344 3.005 1.00 0.00 N ATOM 1737 CD2 HIS A 110 -9.120 5.850 4.431 1.00 0.00 C ATOM 1738 CE1 HIS A 110 -9.641 4.626 2.694 1.00 0.00 C ATOM 1739 NE2 HIS A 110 -10.095 5.559 3.579 1.00 0.00 N ATOM 0 H HIS A 110 -6.475 7.628 4.279 1.00 0.00 H new ATOM 0 HA HIS A 110 -6.988 5.900 6.630 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -5.901 5.100 3.944 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -6.532 4.072 5.215 1.00 0.00 H new ATOM 0 HD1 HIS A 110 -7.783 3.678 2.518 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -9.183 6.556 5.246 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -10.207 4.193 1.882 1.00 0.00 H new ATOM 1747 N THR A 111 -4.675 5.625 7.373 1.00 0.00 N ATOM 1748 CA THR A 111 -3.329 5.599 7.923 1.00 0.00 C ATOM 1749 C THR A 111 -2.825 4.158 8.030 1.00 0.00 C ATOM 1750 O THR A 111 -3.566 3.267 8.440 1.00 0.00 O ATOM 1751 CB THR A 111 -3.352 6.336 9.263 1.00 0.00 C ATOM 1752 OG1 THR A 111 -4.598 5.961 9.845 1.00 0.00 O ATOM 1753 CG2 THR A 111 -3.460 7.853 9.096 1.00 0.00 C ATOM 0 H THR A 111 -5.383 5.177 7.955 1.00 0.00 H new ATOM 0 HA THR A 111 -2.623 6.109 7.267 1.00 0.00 H new ATOM 0 HB THR A 111 -2.449 6.096 9.824 1.00 0.00 H new ATOM 0 HG1 THR A 111 -4.694 6.394 10.719 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.472 8.327 10.077 1.00 0.00 H new ATOM 0 HG22 THR A 111 -2.605 8.218 8.527 1.00 0.00 H new ATOM 0 HG23 THR A 111 -4.380 8.096 8.564 1.00 0.00 H new ATOM 1761 N PHE A 112 -1.568 3.976 7.653 1.00 0.00 N ATOM 1762 CA PHE A 112 -0.956 2.659 7.702 1.00 0.00 C ATOM 1763 C PHE A 112 0.561 2.765 7.856 1.00 0.00 C ATOM 1764 O PHE A 112 1.120 3.859 7.797 1.00 0.00 O ATOM 1765 CB PHE A 112 -1.275 1.969 6.373 1.00 0.00 C ATOM 1766 CG PHE A 112 -0.507 2.538 5.177 1.00 0.00 C ATOM 1767 CD1 PHE A 112 -0.829 3.764 4.684 1.00 0.00 C ATOM 1768 CD2 PHE A 112 0.496 1.818 4.608 1.00 0.00 C ATOM 1769 CE1 PHE A 112 -0.118 4.292 3.574 1.00 0.00 C ATOM 1770 CE2 PHE A 112 1.208 2.346 3.498 1.00 0.00 C ATOM 1771 CZ PHE A 112 0.886 3.571 3.005 1.00 0.00 C ATOM 0 H PHE A 112 -0.957 4.718 7.312 1.00 0.00 H new ATOM 0 HA PHE A 112 -1.342 2.100 8.554 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -1.050 0.906 6.464 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -2.344 2.053 6.179 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -1.625 4.336 5.137 1.00 0.00 H new ATOM 0 HD2 PHE A 112 0.751 0.845 5.000 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -0.374 5.265 3.182 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.005 1.774 3.046 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.427 3.972 2.161 1.00 0.00 H new ATOM 1781 N ALA A 113 1.187 1.614 8.053 1.00 0.00 N ATOM 1782 CA ALA A 113 2.630 1.563 8.217 1.00 0.00 C ATOM 1783 C ALA A 113 3.301 1.765 6.857 1.00 0.00 C ATOM 1784 O ALA A 113 2.806 1.283 5.839 1.00 0.00 O ATOM 1785 CB ALA A 113 3.023 0.237 8.871 1.00 0.00 C ATOM 0 H ALA A 113 0.721 0.708 8.103 1.00 0.00 H new ATOM 0 HA ALA A 113 2.970 2.363 8.874 1.00 0.00 H new ATOM 0 HB1 ALA A 113 4.105 0.199 8.994 1.00 0.00 H new ATOM 0 HB2 ALA A 113 2.544 0.156 9.847 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.700 -0.590 8.239 1.00 0.00 H new ATOM 1791 N GLY A 114 4.417 2.477 6.885 1.00 0.00 N ATOM 1792 CA GLY A 114 5.162 2.748 5.667 1.00 0.00 C ATOM 1793 C GLY A 114 6.456 1.932 5.622 1.00 0.00 C ATOM 1794 O GLY A 114 6.660 1.040 6.444 1.00 0.00 O ATOM 0 H GLY A 114 4.824 2.875 7.732 1.00 0.00 H new ATOM 0 HA2 GLY A 114 4.547 2.509 4.800 1.00 0.00 H new ATOM 0 HA3 GLY A 114 5.396 3.811 5.609 1.00 0.00 H new ATOM 1798 N ASP A 115 7.295 2.268 4.653 1.00 0.00 N ATOM 1799 CA ASP A 115 8.564 1.578 4.490 1.00 0.00 C ATOM 1800 C ASP A 115 9.157 1.279 5.868 1.00 0.00 C ATOM 1801 O ASP A 115 9.208 0.124 6.289 1.00 0.00 O ATOM 1802 CB ASP A 115 9.566 2.441 3.721 1.00 0.00 C ATOM 1803 CG ASP A 115 10.929 1.789 3.480 1.00 0.00 C ATOM 1804 OD1 ASP A 115 11.080 0.620 3.894 1.00 0.00 O ATOM 1805 OD2 ASP A 115 11.790 2.477 2.889 1.00 0.00 O ATOM 0 H ASP A 115 7.121 3.008 3.973 1.00 0.00 H new ATOM 0 HA ASP A 115 8.379 0.659 3.934 1.00 0.00 H new ATOM 0 HB2 ASP A 115 9.131 2.705 2.757 1.00 0.00 H new ATOM 0 HB3 ASP A 115 9.717 3.371 4.268 1.00 0.00 H new ATOM 1810 N THR A 116 9.592 2.339 6.534 1.00 0.00 N ATOM 1811 CA THR A 116 10.180 2.205 7.855 1.00 0.00 C ATOM 1812 C THR A 116 9.405 3.045 8.871 1.00 0.00 C ATOM 1813 O THR A 116 9.573 2.877 10.078 1.00 0.00 O ATOM 1814 CB THR A 116 11.659 2.583 7.755 1.00 0.00 C ATOM 1815 OG1 THR A 116 11.641 3.954 7.369 1.00 0.00 O ATOM 1816 CG2 THR A 116 12.367 1.878 6.596 1.00 0.00 C ATOM 0 H THR A 116 9.549 3.295 6.182 1.00 0.00 H new ATOM 0 HA THR A 116 10.116 1.178 8.214 1.00 0.00 H new ATOM 0 HB THR A 116 12.161 2.336 8.690 1.00 0.00 H new ATOM 0 HG1 THR A 116 12.561 4.282 7.283 1.00 0.00 H new ATOM 0 HG21 THR A 116 13.414 2.181 6.570 1.00 0.00 H new ATOM 0 HG22 THR A 116 12.305 0.799 6.735 1.00 0.00 H new ATOM 0 HG23 THR A 116 11.887 2.151 5.656 1.00 0.00 H new ATOM 1824 N CYS A 117 8.572 3.933 8.346 1.00 0.00 N ATOM 1825 CA CYS A 117 7.772 4.800 9.192 1.00 0.00 C ATOM 1826 C CYS A 117 6.318 4.725 8.720 1.00 0.00 C ATOM 1827 O CYS A 117 6.050 4.320 7.589 1.00 0.00 O ATOM 1828 CB CYS A 117 8.298 6.236 9.190 1.00 0.00 C ATOM 1829 SG CYS A 117 9.189 6.578 10.752 1.00 0.00 S ATOM 0 H CYS A 117 8.435 4.070 7.345 1.00 0.00 H new ATOM 0 HA CYS A 117 7.836 4.461 10.226 1.00 0.00 H new ATOM 0 HB2 CYS A 117 8.965 6.387 8.341 1.00 0.00 H new ATOM 0 HB3 CYS A 117 7.470 6.935 9.073 1.00 0.00 H new ATOM 0 HG CYS A 117 9.634 7.799 10.739 1.00 0.00 H new ATOM 1835 N GLN A 118 5.418 5.121 9.607 1.00 0.00 N ATOM 1836 CA GLN A 118 4.000 5.103 9.294 1.00 0.00 C ATOM 1837 C GLN A 118 3.652 6.247 8.341 1.00 0.00 C ATOM 1838 O GLN A 118 3.973 7.404 8.611 1.00 0.00 O ATOM 1839 CB GLN A 118 3.156 5.175 10.569 1.00 0.00 C ATOM 1840 CG GLN A 118 1.666 5.266 10.236 1.00 0.00 C ATOM 1841 CD GLN A 118 0.897 5.974 11.353 1.00 0.00 C ATOM 1842 OE1 GLN A 118 0.618 7.160 11.296 1.00 0.00 O ATOM 1843 NE2 GLN A 118 0.570 5.181 12.370 1.00 0.00 N ATOM 0 H GLN A 118 5.644 5.457 10.543 1.00 0.00 H new ATOM 0 HA GLN A 118 3.770 4.160 8.798 1.00 0.00 H new ATOM 0 HB2 GLN A 118 3.342 4.294 11.183 1.00 0.00 H new ATOM 0 HB3 GLN A 118 3.454 6.042 11.158 1.00 0.00 H new ATOM 0 HG2 GLN A 118 1.532 5.806 9.298 1.00 0.00 H new ATOM 0 HG3 GLN A 118 1.261 4.265 10.089 1.00 0.00 H new ATOM 0 HE21 GLN A 118 0.835 4.196 12.354 1.00 0.00 H new ATOM 0 HE22 GLN A 118 0.055 5.558 13.165 1.00 0.00 H new ATOM 1852 N VAL A 119 3.001 5.886 7.246 1.00 0.00 N ATOM 1853 CA VAL A 119 2.606 6.869 6.251 1.00 0.00 C ATOM 1854 C VAL A 119 1.078 6.928 6.177 1.00 0.00 C ATOM 1855 O VAL A 119 0.405 5.914 6.358 1.00 0.00 O ATOM 1856 CB VAL A 119 3.258 6.543 4.906 1.00 0.00 C ATOM 1857 CG1 VAL A 119 4.769 6.777 4.957 1.00 0.00 C ATOM 1858 CG2 VAL A 119 2.940 5.109 4.475 1.00 0.00 C ATOM 0 H VAL A 119 2.737 4.926 7.025 1.00 0.00 H new ATOM 0 HA VAL A 119 2.956 7.862 6.534 1.00 0.00 H new ATOM 0 HB VAL A 119 2.840 7.218 4.160 1.00 0.00 H new ATOM 0 HG11 VAL A 119 5.207 6.538 3.988 1.00 0.00 H new ATOM 0 HG12 VAL A 119 4.968 7.822 5.197 1.00 0.00 H new ATOM 0 HG13 VAL A 119 5.210 6.139 5.722 1.00 0.00 H new ATOM 0 HG21 VAL A 119 3.416 4.903 3.516 1.00 0.00 H new ATOM 0 HG22 VAL A 119 3.317 4.412 5.224 1.00 0.00 H new ATOM 0 HG23 VAL A 119 1.861 4.989 4.378 1.00 0.00 H new ATOM 1868 N ALA A 120 0.576 8.124 5.909 1.00 0.00 N ATOM 1869 CA ALA A 120 -0.858 8.329 5.809 1.00 0.00 C ATOM 1870 C ALA A 120 -1.215 8.711 4.372 1.00 0.00 C ATOM 1871 O ALA A 120 -0.382 9.249 3.643 1.00 0.00 O ATOM 1872 CB ALA A 120 -1.295 9.392 6.820 1.00 0.00 C ATOM 0 H ALA A 120 1.138 8.962 5.758 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.394 7.411 6.050 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -2.372 9.545 6.744 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -1.046 9.060 7.828 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -0.779 10.329 6.609 1.00 0.00 H new ATOM 1878 N LEU A 121 -2.454 8.416 4.005 1.00 0.00 N ATOM 1879 CA LEU A 121 -2.932 8.722 2.667 1.00 0.00 C ATOM 1880 C LEU A 121 -4.182 9.598 2.764 1.00 0.00 C ATOM 1881 O LEU A 121 -5.071 9.330 3.571 1.00 0.00 O ATOM 1882 CB LEU A 121 -3.143 7.435 1.868 1.00 0.00 C ATOM 1883 CG LEU A 121 -4.116 6.421 2.472 1.00 0.00 C ATOM 1884 CD1 LEU A 121 -5.218 6.056 1.476 1.00 0.00 C ATOM 1885 CD2 LEU A 121 -3.372 5.185 2.983 1.00 0.00 C ATOM 0 H LEU A 121 -3.141 7.968 4.611 1.00 0.00 H new ATOM 0 HA LEU A 121 -2.185 9.294 2.116 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -3.500 7.703 0.874 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -2.176 6.948 1.739 1.00 0.00 H new ATOM 0 HG LEU A 121 -4.601 6.884 3.332 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -5.895 5.334 1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -5.774 6.953 1.204 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -4.771 5.621 0.582 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -4.087 4.480 3.407 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -2.842 4.712 2.156 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -2.656 5.482 3.750 1.00 0.00 H new ATOM 1897 N ASN A 122 -4.211 10.626 1.930 1.00 0.00 N ATOM 1898 CA ASN A 122 -5.338 11.544 1.911 1.00 0.00 C ATOM 1899 C ASN A 122 -5.904 11.620 0.491 1.00 0.00 C ATOM 1900 O ASN A 122 -5.309 12.247 -0.384 1.00 0.00 O ATOM 1901 CB ASN A 122 -4.909 12.952 2.326 1.00 0.00 C ATOM 1902 CG ASN A 122 -6.124 13.862 2.517 1.00 0.00 C ATOM 1903 OD1 ASN A 122 -6.889 14.119 1.602 1.00 0.00 O ATOM 1904 ND2 ASN A 122 -6.258 14.333 3.753 1.00 0.00 N ATOM 0 H ASN A 122 -3.472 10.844 1.262 1.00 0.00 H new ATOM 0 HA ASN A 122 -6.086 11.175 2.612 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -4.337 12.903 3.253 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -4.250 13.374 1.567 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -7.038 14.949 3.982 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -5.581 14.078 4.472 1.00 0.00 H new ATOM 1911 N PHE A 123 -7.046 10.975 0.309 1.00 0.00 N ATOM 1912 CA PHE A 123 -7.699 10.962 -0.989 1.00 0.00 C ATOM 1913 C PHE A 123 -8.231 12.351 -1.349 1.00 0.00 C ATOM 1914 O PHE A 123 -8.365 13.212 -0.481 1.00 0.00 O ATOM 1915 CB PHE A 123 -8.875 9.989 -0.889 1.00 0.00 C ATOM 1916 CG PHE A 123 -8.471 8.557 -0.534 1.00 0.00 C ATOM 1917 CD1 PHE A 123 -8.147 7.677 -1.520 1.00 0.00 C ATOM 1918 CD2 PHE A 123 -8.433 8.163 0.767 1.00 0.00 C ATOM 1919 CE1 PHE A 123 -7.772 6.348 -1.191 1.00 0.00 C ATOM 1920 CE2 PHE A 123 -8.056 6.834 1.096 1.00 0.00 C ATOM 1921 CZ PHE A 123 -7.734 5.955 0.110 1.00 0.00 C ATOM 0 H PHE A 123 -7.536 10.457 1.038 1.00 0.00 H new ATOM 0 HA PHE A 123 -6.988 10.663 -1.760 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -9.573 10.355 -0.136 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -9.407 9.980 -1.840 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -8.175 7.990 -2.553 1.00 0.00 H new ATOM 0 HD2 PHE A 123 -8.690 8.861 1.550 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -7.517 5.649 -1.974 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -8.025 6.522 2.129 1.00 0.00 H new ATOM 0 HZ PHE A 123 -7.448 4.944 0.360 1.00 0.00 H new ATOM 1931 N ALA A 124 -8.517 12.526 -2.630 1.00 0.00 N ATOM 1932 CA ALA A 124 -9.030 13.795 -3.116 1.00 0.00 C ATOM 1933 C ALA A 124 -10.554 13.810 -2.979 1.00 0.00 C ATOM 1934 O ALA A 124 -11.149 14.859 -2.733 1.00 0.00 O ATOM 1935 CB ALA A 124 -8.572 14.013 -4.560 1.00 0.00 C ATOM 0 H ALA A 124 -8.403 11.809 -3.347 1.00 0.00 H new ATOM 0 HA ALA A 124 -8.637 14.620 -2.522 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -8.957 14.965 -4.924 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -7.483 14.024 -4.599 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -8.949 13.205 -5.187 1.00 0.00 H new ATOM 1941 N ASN A 125 -11.142 12.635 -3.145 1.00 0.00 N ATOM 1942 CA ASN A 125 -12.586 12.500 -3.043 1.00 0.00 C ATOM 1943 C ASN A 125 -12.925 11.548 -1.894 1.00 0.00 C ATOM 1944 O ASN A 125 -12.130 10.674 -1.552 1.00 0.00 O ATOM 1945 CB ASN A 125 -13.177 11.916 -4.329 1.00 0.00 C ATOM 1946 CG ASN A 125 -14.445 12.667 -4.738 1.00 0.00 C ATOM 1947 OD1 ASN A 125 -14.825 13.666 -4.149 1.00 0.00 O ATOM 1948 ND2 ASN A 125 -15.079 12.131 -5.778 1.00 0.00 N ATOM 0 H ASN A 125 -10.646 11.768 -3.349 1.00 0.00 H new ATOM 0 HA ASN A 125 -13.006 13.491 -2.870 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -12.441 11.974 -5.131 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -13.406 10.861 -4.182 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -15.937 12.558 -6.127 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -14.707 11.293 -6.226 1.00 0.00 H new ATOM 1955 N GLU A 126 -14.106 11.751 -1.329 1.00 0.00 N ATOM 1956 CA GLU A 126 -14.560 10.922 -0.225 1.00 0.00 C ATOM 1957 C GLU A 126 -15.026 9.559 -0.741 1.00 0.00 C ATOM 1958 O GLU A 126 -14.594 8.521 -0.242 1.00 0.00 O ATOM 1959 CB GLU A 126 -15.670 11.619 0.564 1.00 0.00 C ATOM 1960 CG GLU A 126 -15.560 11.307 2.057 1.00 0.00 C ATOM 1961 CD GLU A 126 -16.070 12.477 2.901 1.00 0.00 C ATOM 1962 OE1 GLU A 126 -15.818 13.629 2.485 1.00 0.00 O ATOM 1963 OE2 GLU A 126 -16.699 12.194 3.944 1.00 0.00 O ATOM 0 H GLU A 126 -14.762 12.477 -1.615 1.00 0.00 H new ATOM 0 HA GLU A 126 -13.722 10.764 0.454 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -15.610 12.696 0.409 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -16.643 11.297 0.192 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -16.134 10.410 2.288 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -14.522 11.095 2.312 1.00 0.00 H new ATOM 1970 N GLU A 127 -15.903 9.607 -1.734 1.00 0.00 N ATOM 1971 CA GLU A 127 -16.434 8.389 -2.322 1.00 0.00 C ATOM 1972 C GLU A 127 -15.291 7.465 -2.749 1.00 0.00 C ATOM 1973 O GLU A 127 -15.276 6.287 -2.397 1.00 0.00 O ATOM 1974 CB GLU A 127 -17.353 8.706 -3.503 1.00 0.00 C ATOM 1975 CG GLU A 127 -18.080 7.449 -3.984 1.00 0.00 C ATOM 1976 CD GLU A 127 -18.940 6.852 -2.868 1.00 0.00 C ATOM 1977 OE1 GLU A 127 -20.017 7.431 -2.609 1.00 0.00 O ATOM 1978 OE2 GLU A 127 -18.500 5.829 -2.299 1.00 0.00 O ATOM 0 H GLU A 127 -16.259 10.470 -2.146 1.00 0.00 H new ATOM 0 HA GLU A 127 -17.030 7.874 -1.569 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -18.081 9.462 -3.209 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -16.768 9.128 -4.321 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -18.708 7.693 -4.841 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -17.353 6.711 -4.322 1.00 0.00 H new ATOM 1985 N GLU A 128 -14.362 8.034 -3.502 1.00 0.00 N ATOM 1986 CA GLU A 128 -13.218 7.277 -3.981 1.00 0.00 C ATOM 1987 C GLU A 128 -12.466 6.652 -2.805 1.00 0.00 C ATOM 1988 O GLU A 128 -11.824 5.612 -2.955 1.00 0.00 O ATOM 1989 CB GLU A 128 -12.290 8.156 -4.820 1.00 0.00 C ATOM 1990 CG GLU A 128 -12.625 8.043 -6.309 1.00 0.00 C ATOM 1991 CD GLU A 128 -11.469 7.410 -7.085 1.00 0.00 C ATOM 1992 OE1 GLU A 128 -11.456 6.163 -7.167 1.00 0.00 O ATOM 1993 OE2 GLU A 128 -10.623 8.187 -7.577 1.00 0.00 O ATOM 0 H GLU A 128 -14.378 9.012 -3.793 1.00 0.00 H new ATOM 0 HA GLU A 128 -13.581 6.475 -4.623 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -12.380 9.194 -4.501 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -11.254 7.860 -4.653 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -13.526 7.443 -6.438 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -12.840 9.032 -6.713 1.00 0.00 H new ATOM 2000 N ALA A 129 -12.569 7.310 -1.660 1.00 0.00 N ATOM 2001 CA ALA A 129 -11.907 6.832 -0.458 1.00 0.00 C ATOM 2002 C ALA A 129 -12.733 5.704 0.161 1.00 0.00 C ATOM 2003 O ALA A 129 -12.180 4.750 0.704 1.00 0.00 O ATOM 2004 CB ALA A 129 -11.696 7.999 0.508 1.00 0.00 C ATOM 0 H ALA A 129 -13.102 8.171 -1.539 1.00 0.00 H new ATOM 0 HA ALA A 129 -10.924 6.426 -0.698 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -11.199 7.640 1.409 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -11.077 8.759 0.031 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -12.661 8.431 0.773 1.00 0.00 H new ATOM 2010 N LYS A 130 -14.047 5.851 0.057 1.00 0.00 N ATOM 2011 CA LYS A 130 -14.955 4.855 0.600 1.00 0.00 C ATOM 2012 C LYS A 130 -14.827 3.561 -0.204 1.00 0.00 C ATOM 2013 O LYS A 130 -14.721 2.477 0.370 1.00 0.00 O ATOM 2014 CB LYS A 130 -16.382 5.407 0.654 1.00 0.00 C ATOM 2015 CG LYS A 130 -17.289 4.499 1.487 1.00 0.00 C ATOM 2016 CD LYS A 130 -18.502 4.041 0.674 1.00 0.00 C ATOM 2017 CE LYS A 130 -19.699 3.761 1.586 1.00 0.00 C ATOM 2018 NZ LYS A 130 -20.965 3.883 0.829 1.00 0.00 N ATOM 0 H LYS A 130 -14.503 6.644 -0.395 1.00 0.00 H new ATOM 0 HA LYS A 130 -14.689 4.617 1.630 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -16.372 6.409 1.082 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -16.780 5.496 -0.357 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -16.726 3.630 1.828 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -17.623 5.031 2.378 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -18.767 4.807 -0.054 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -18.250 3.141 0.113 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -19.616 2.760 2.009 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -19.699 4.461 2.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -21.768 3.690 1.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -21.049 4.846 0.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -20.969 3.198 0.046 1.00 0.00 H new ATOM 2032 N LYS A 131 -14.840 3.715 -1.519 1.00 0.00 N ATOM 2033 CA LYS A 131 -14.725 2.571 -2.409 1.00 0.00 C ATOM 2034 C LYS A 131 -13.332 1.955 -2.263 1.00 0.00 C ATOM 2035 O LYS A 131 -13.149 0.762 -2.501 1.00 0.00 O ATOM 2036 CB LYS A 131 -15.075 2.971 -3.843 1.00 0.00 C ATOM 2037 CG LYS A 131 -14.131 4.060 -4.355 1.00 0.00 C ATOM 2038 CD LYS A 131 -13.174 3.504 -5.412 1.00 0.00 C ATOM 2039 CE LYS A 131 -11.749 4.009 -5.181 1.00 0.00 C ATOM 2040 NZ LYS A 131 -10.870 3.614 -6.306 1.00 0.00 N ATOM 0 H LYS A 131 -14.928 4.615 -1.991 1.00 0.00 H new ATOM 0 HA LYS A 131 -15.445 1.800 -2.134 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -15.015 2.098 -4.493 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -16.104 3.328 -3.884 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -14.711 4.879 -4.780 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -13.560 4.472 -3.523 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -13.187 2.414 -5.382 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -13.512 3.800 -6.405 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -11.754 5.094 -5.079 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -11.360 3.603 -4.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -9.937 3.341 -5.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -11.293 2.809 -6.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -10.763 4.415 -6.961 1.00 0.00 H new ATOM 2054 N PHE A 132 -12.386 2.797 -1.874 1.00 0.00 N ATOM 2055 CA PHE A 132 -11.014 2.350 -1.694 1.00 0.00 C ATOM 2056 C PHE A 132 -10.917 1.318 -0.569 1.00 0.00 C ATOM 2057 O PHE A 132 -10.446 0.202 -0.784 1.00 0.00 O ATOM 2058 CB PHE A 132 -10.189 3.581 -1.314 1.00 0.00 C ATOM 2059 CG PHE A 132 -8.835 3.663 -2.019 1.00 0.00 C ATOM 2060 CD1 PHE A 132 -8.753 4.174 -3.277 1.00 0.00 C ATOM 2061 CD2 PHE A 132 -7.711 3.226 -1.388 1.00 0.00 C ATOM 2062 CE1 PHE A 132 -7.495 4.251 -3.932 1.00 0.00 C ATOM 2063 CE2 PHE A 132 -6.453 3.303 -2.043 1.00 0.00 C ATOM 2064 CZ PHE A 132 -6.372 3.814 -3.301 1.00 0.00 C ATOM 0 H PHE A 132 -12.542 3.786 -1.678 1.00 0.00 H new ATOM 0 HA PHE A 132 -10.651 1.884 -2.610 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -10.764 4.477 -1.548 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -10.026 3.578 -0.236 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -9.645 4.521 -3.778 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -7.776 2.821 -0.389 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -7.430 4.656 -4.931 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -5.561 2.956 -1.542 1.00 0.00 H new ATOM 0 HZ PHE A 132 -5.416 3.873 -3.799 1.00 0.00 H new ATOM 2074 N ARG A 133 -11.371 1.726 0.606 1.00 0.00 N ATOM 2075 CA ARG A 133 -11.340 0.850 1.766 1.00 0.00 C ATOM 2076 C ARG A 133 -12.222 -0.377 1.527 1.00 0.00 C ATOM 2077 O ARG A 133 -11.867 -1.487 1.922 1.00 0.00 O ATOM 2078 CB ARG A 133 -11.825 1.580 3.020 1.00 0.00 C ATOM 2079 CG ARG A 133 -11.115 1.054 4.269 1.00 0.00 C ATOM 2080 CD ARG A 133 -12.043 1.093 5.485 1.00 0.00 C ATOM 2081 NE ARG A 133 -12.122 -0.249 6.104 1.00 0.00 N ATOM 2082 CZ ARG A 133 -12.956 -0.568 7.104 1.00 0.00 C ATOM 2083 NH1 ARG A 133 -13.787 0.358 7.603 1.00 0.00 N ATOM 2084 NH2 ARG A 133 -12.960 -1.810 7.603 1.00 0.00 N ATOM 0 H ARG A 133 -11.763 2.651 0.781 1.00 0.00 H new ATOM 0 HA ARG A 133 -10.307 0.537 1.918 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -11.642 2.649 2.916 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -12.902 1.450 3.127 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -10.778 0.032 4.097 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -10.226 1.653 4.466 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -11.674 1.817 6.212 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -13.037 1.423 5.184 1.00 0.00 H new ATOM 0 HE ARG A 133 -11.503 -0.977 5.747 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -13.784 1.304 7.222 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -14.422 0.116 8.364 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -12.328 -2.515 7.222 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -13.595 -2.052 8.364 1.00 0.00 H new ATOM 2098 N LYS A 134 -13.354 -0.137 0.880 1.00 0.00 N ATOM 2099 CA LYS A 134 -14.288 -1.210 0.584 1.00 0.00 C ATOM 2100 C LYS A 134 -13.590 -2.265 -0.276 1.00 0.00 C ATOM 2101 O LYS A 134 -13.759 -3.463 -0.053 1.00 0.00 O ATOM 2102 CB LYS A 134 -15.565 -0.648 -0.045 1.00 0.00 C ATOM 2103 CG LYS A 134 -16.807 -1.315 0.547 1.00 0.00 C ATOM 2104 CD LYS A 134 -17.312 -0.545 1.769 1.00 0.00 C ATOM 2105 CE LYS A 134 -17.017 -1.310 3.060 1.00 0.00 C ATOM 2106 NZ LYS A 134 -18.128 -1.148 4.025 1.00 0.00 N ATOM 0 H LYS A 134 -13.645 0.784 0.553 1.00 0.00 H new ATOM 0 HA LYS A 134 -14.604 -1.706 1.502 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -15.612 0.428 0.120 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -15.543 -0.805 -1.123 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -17.593 -1.364 -0.207 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -16.573 -2.341 0.830 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -16.838 0.436 1.807 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -18.385 -0.377 1.679 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -16.872 -2.367 2.838 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -16.089 -0.947 3.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -17.911 -1.674 4.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -18.248 -0.140 4.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -19.007 -1.516 3.608 1.00 0.00 H new ATOM 2120 N ALA A 135 -12.821 -1.782 -1.241 1.00 0.00 N ATOM 2121 CA ALA A 135 -12.097 -2.669 -2.135 1.00 0.00 C ATOM 2122 C ALA A 135 -11.045 -3.443 -1.338 1.00 0.00 C ATOM 2123 O ALA A 135 -10.946 -4.663 -1.455 1.00 0.00 O ATOM 2124 CB ALA A 135 -11.482 -1.854 -3.275 1.00 0.00 C ATOM 0 H ALA A 135 -12.684 -0.788 -1.423 1.00 0.00 H new ATOM 0 HA ALA A 135 -12.773 -3.398 -2.583 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -10.939 -2.519 -3.946 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -12.273 -1.348 -3.828 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -10.796 -1.114 -2.864 1.00 0.00 H new ATOM 2130 N VAL A 136 -10.285 -2.700 -0.546 1.00 0.00 N ATOM 2131 CA VAL A 136 -9.244 -3.300 0.270 1.00 0.00 C ATOM 2132 C VAL A 136 -9.824 -4.492 1.034 1.00 0.00 C ATOM 2133 O VAL A 136 -9.470 -5.639 0.764 1.00 0.00 O ATOM 2134 CB VAL A 136 -8.625 -2.245 1.189 1.00 0.00 C ATOM 2135 CG1 VAL A 136 -7.848 -2.901 2.333 1.00 0.00 C ATOM 2136 CG2 VAL A 136 -7.733 -1.285 0.399 1.00 0.00 C ATOM 0 H VAL A 136 -10.370 -1.688 -0.453 1.00 0.00 H new ATOM 0 HA VAL A 136 -8.437 -3.678 -0.358 1.00 0.00 H new ATOM 0 HB VAL A 136 -9.437 -1.664 1.626 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -7.418 -2.129 2.971 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -8.522 -3.524 2.921 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -7.049 -3.519 1.923 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -7.306 -0.545 1.076 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -6.930 -1.845 -0.080 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -8.327 -0.780 -0.362 1.00 0.00 H new ATOM 2146 N THR A 137 -10.705 -4.181 1.973 1.00 0.00 N ATOM 2147 CA THR A 137 -11.338 -5.211 2.778 1.00 0.00 C ATOM 2148 C THR A 137 -11.879 -6.329 1.884 1.00 0.00 C ATOM 2149 O THR A 137 -11.644 -7.507 2.147 1.00 0.00 O ATOM 2150 CB THR A 137 -12.415 -4.546 3.637 1.00 0.00 C ATOM 2151 OG1 THR A 137 -13.280 -3.924 2.690 1.00 0.00 O ATOM 2152 CG2 THR A 137 -11.867 -3.379 4.463 1.00 0.00 C ATOM 0 H THR A 137 -10.996 -3.229 2.194 1.00 0.00 H new ATOM 0 HA THR A 137 -10.620 -5.688 3.444 1.00 0.00 H new ATOM 0 HB THR A 137 -12.857 -5.287 4.303 1.00 0.00 H new ATOM 0 HG1 THR A 137 -12.932 -3.037 2.462 1.00 0.00 H new ATOM 0 HG21 THR A 137 -12.672 -2.942 5.054 1.00 0.00 H new ATOM 0 HG22 THR A 137 -11.083 -3.741 5.128 1.00 0.00 H new ATOM 0 HG23 THR A 137 -11.456 -2.622 3.795 1.00 0.00 H new ATOM 2160 N ASP A 138 -12.593 -5.919 0.846 1.00 0.00 N ATOM 2161 CA ASP A 138 -13.169 -6.870 -0.089 1.00 0.00 C ATOM 2162 C ASP A 138 -12.074 -7.814 -0.590 1.00 0.00 C ATOM 2163 O ASP A 138 -12.295 -9.018 -0.715 1.00 0.00 O ATOM 2164 CB ASP A 138 -13.770 -6.158 -1.302 1.00 0.00 C ATOM 2165 CG ASP A 138 -15.296 -6.054 -1.300 1.00 0.00 C ATOM 2166 OD1 ASP A 138 -15.802 -5.136 -0.617 1.00 0.00 O ATOM 2167 OD2 ASP A 138 -15.923 -6.893 -1.981 1.00 0.00 O ATOM 0 H ASP A 138 -12.786 -4.941 0.632 1.00 0.00 H new ATOM 0 HA ASP A 138 -13.954 -7.419 0.431 1.00 0.00 H new ATOM 0 HB2 ASP A 138 -13.352 -5.153 -1.358 1.00 0.00 H new ATOM 0 HB3 ASP A 138 -13.458 -6.684 -2.204 1.00 0.00 H new ATOM 2172 N LEU A 139 -10.915 -7.232 -0.865 1.00 0.00 N ATOM 2173 CA LEU A 139 -9.785 -8.006 -1.350 1.00 0.00 C ATOM 2174 C LEU A 139 -9.265 -8.901 -0.223 1.00 0.00 C ATOM 2175 O LEU A 139 -9.040 -10.093 -0.426 1.00 0.00 O ATOM 2176 CB LEU A 139 -8.719 -7.081 -1.942 1.00 0.00 C ATOM 2177 CG LEU A 139 -7.495 -7.773 -2.546 1.00 0.00 C ATOM 2178 CD1 LEU A 139 -6.915 -6.950 -3.699 1.00 0.00 C ATOM 2179 CD2 LEU A 139 -6.447 -8.070 -1.472 1.00 0.00 C ATOM 0 H LEU A 139 -10.735 -6.233 -0.761 1.00 0.00 H new ATOM 0 HA LEU A 139 -10.093 -8.663 -2.163 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -9.185 -6.469 -2.715 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -8.379 -6.402 -1.160 1.00 0.00 H new ATOM 0 HG LEU A 139 -7.813 -8.730 -2.959 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -6.046 -7.463 -4.111 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -7.669 -6.831 -4.477 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -6.616 -5.969 -3.331 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -5.588 -8.562 -1.928 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -6.127 -7.137 -1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -6.878 -8.723 -0.713 1.00 0.00 H new ATOM 2191 N LEU A 140 -9.089 -8.291 0.941 1.00 0.00 N ATOM 2192 CA LEU A 140 -8.598 -9.019 2.099 1.00 0.00 C ATOM 2193 C LEU A 140 -9.567 -10.157 2.428 1.00 0.00 C ATOM 2194 O LEU A 140 -9.145 -11.233 2.851 1.00 0.00 O ATOM 2195 CB LEU A 140 -8.354 -8.062 3.268 1.00 0.00 C ATOM 2196 CG LEU A 140 -6.934 -7.505 3.393 1.00 0.00 C ATOM 2197 CD1 LEU A 140 -6.874 -6.049 2.930 1.00 0.00 C ATOM 2198 CD2 LEU A 140 -6.402 -7.676 4.817 1.00 0.00 C ATOM 0 H LEU A 140 -9.277 -7.302 1.106 1.00 0.00 H new ATOM 0 HA LEU A 140 -7.632 -9.475 1.882 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -9.045 -7.224 3.176 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -8.603 -8.580 4.194 1.00 0.00 H new ATOM 0 HG LEU A 140 -6.282 -8.079 2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -5.854 -5.677 3.029 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -7.183 -5.986 1.887 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -7.542 -5.444 3.544 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -5.391 -7.272 4.879 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -7.049 -7.143 5.514 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -6.386 -8.735 5.075 1.00 0.00 H new ATOM 2210 N GLY A 141 -10.847 -9.881 2.223 1.00 0.00 N ATOM 2211 CA GLY A 141 -11.878 -10.868 2.492 1.00 0.00 C ATOM 2212 C GLY A 141 -11.753 -12.063 1.545 1.00 0.00 C ATOM 2213 O GLY A 141 -11.775 -13.212 1.984 1.00 0.00 O ATOM 0 H GLY A 141 -11.193 -8.987 1.874 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -11.800 -11.208 3.525 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -12.862 -10.412 2.380 1.00 0.00 H new ATOM 2217 N ARG A 142 -11.626 -11.751 0.263 1.00 0.00 N ATOM 2218 CA ARG A 142 -11.498 -12.786 -0.748 1.00 0.00 C ATOM 2219 C ARG A 142 -10.208 -13.580 -0.537 1.00 0.00 C ATOM 2220 O ARG A 142 -10.196 -14.802 -0.676 1.00 0.00 O ATOM 2221 CB ARG A 142 -11.493 -12.182 -2.155 1.00 0.00 C ATOM 2222 CG ARG A 142 -12.589 -12.806 -3.023 1.00 0.00 C ATOM 2223 CD ARG A 142 -12.026 -13.262 -4.371 1.00 0.00 C ATOM 2224 NE ARG A 142 -12.504 -14.626 -4.683 1.00 0.00 N ATOM 2225 CZ ARG A 142 -12.019 -15.383 -5.678 1.00 0.00 C ATOM 2226 NH1 ARG A 142 -11.042 -14.912 -6.463 1.00 0.00 N ATOM 2227 NH2 ARG A 142 -12.513 -16.611 -5.886 1.00 0.00 N ATOM 0 H ARG A 142 -11.609 -10.797 -0.098 1.00 0.00 H new ATOM 0 HA ARG A 142 -12.356 -13.451 -0.652 1.00 0.00 H new ATOM 0 HB2 ARG A 142 -11.643 -11.104 -2.093 1.00 0.00 H new ATOM 0 HB3 ARG A 142 -10.520 -12.342 -2.620 1.00 0.00 H new ATOM 0 HG2 ARG A 142 -13.030 -13.656 -2.503 1.00 0.00 H new ATOM 0 HG3 ARG A 142 -13.387 -12.081 -3.184 1.00 0.00 H new ATOM 0 HD2 ARG A 142 -12.334 -12.571 -5.156 1.00 0.00 H new ATOM 0 HD3 ARG A 142 -10.936 -13.247 -4.343 1.00 0.00 H new ATOM 0 HE ARG A 142 -13.249 -15.015 -4.105 1.00 0.00 H new ATOM 0 HH11 ARG A 142 -10.666 -13.977 -6.304 1.00 0.00 H new ATOM 0 HH12 ARG A 142 -10.673 -15.488 -7.220 1.00 0.00 H new ATOM 0 HH21 ARG A 142 -13.257 -16.969 -5.288 1.00 0.00 H new ATOM 0 HH22 ARG A 142 -12.145 -17.187 -6.643 1.00 0.00 H new