USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 873 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 35 SER OG : rot -35:sc= 0.978 USER MOD Set 1.2: A 111 ASN : amide:sc= -0.744 K(o=1.1,f=-9.4!) USER MOD Set 1.3: A 112 THR OG1 : rot 5:sc= 0.833 USER MOD Set 2.1: A 34 GLN : amide:sc= -0.527 K(o=0.8,f=-0.096) USER MOD Set 2.2: A 64 HIS : no HE2:sc= 1.13 K(o=0.8,f=-6.7!) USER MOD Set 2.3: A 104 TYR OH : rot -170:sc= 0.203 USER MOD Set 3.1: A 66 HIS : no HD1:sc= 0 X(o=0.48,f=0.38) USER MOD Set 3.2: A 98 SER OG : rot -35:sc= 0.482 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HE2:sc= 0.647 K(o=0.65,f=-2.8!) USER MOD Single : A 29 SER OG : rot 8:sc= 1.26 USER MOD Single : A 41 MET CE :methyl -163:sc= -0.0312 (180deg=-0.586) USER MOD Single : A 44 ASN : amide:sc= -0.156 X(o=-0.16,f=-0.013) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 149:sc= 1.27 USER MOD Single : A 69 THR OG1 : rot 75:sc= 1.24 USER MOD Single : A 71 MET CE :methyl -168:sc= -0.483 (180deg=-0.758) USER MOD Single : A 75 GLN : amide:sc= -0.321 X(o=-0.32,f=-0.34) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 140:sc= 0.0283 USER MOD Single : A 89 SER OG : rot -138:sc= 1.16 USER MOD Single : A 93 GLN : amide:sc= 1.18 K(o=1.2,f=-1.3) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 109 SER OG : rot -23:sc= 0.368 USER MOD Single : A 110 LYS NZ :NH3+ 161:sc= 1.25 (180deg=0.983) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= -0.0217 X(o=-0.022,f=-0.022) USER MOD Single : A 119 SER OG : rot 113:sc= 1.57 USER MOD Single : A 121 TYR OH : rot 30:sc= 0 USER MOD Single : A 134 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 136 SER OG : rot -67:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 10.001 27.826 -1.745 1.00 0.00 N ATOM 2 CA MET A 23 10.365 27.421 -0.382 1.00 0.00 C ATOM 3 C MET A 23 10.444 25.893 -0.366 1.00 0.00 C ATOM 4 O MET A 23 11.471 25.359 -0.786 1.00 0.00 O ATOM 5 CB MET A 23 9.430 28.043 0.669 1.00 0.00 C ATOM 6 CG MET A 23 9.427 29.577 0.642 1.00 0.00 C ATOM 7 SD MET A 23 8.180 30.319 1.727 1.00 0.00 S ATOM 8 CE MET A 23 8.374 32.064 1.281 1.00 0.00 C ATOM 0 HA MET A 23 11.343 27.808 -0.096 1.00 0.00 H new ATOM 0 HB2 MET A 23 8.415 27.681 0.503 1.00 0.00 H new ATOM 0 HB3 MET A 23 9.731 27.704 1.660 1.00 0.00 H new ATOM 0 HG2 MET A 23 10.413 29.939 0.934 1.00 0.00 H new ATOM 0 HG3 MET A 23 9.254 29.914 -0.380 1.00 0.00 H new ATOM 0 HE1 MET A 23 7.676 32.668 1.861 1.00 0.00 H new ATOM 0 HE2 MET A 23 9.394 32.383 1.495 1.00 0.00 H new ATOM 0 HE3 MET A 23 8.169 32.193 0.218 1.00 0.00 H new ATOM 20 N LYS A 24 9.385 25.164 0.012 1.00 0.00 N ATOM 21 CA LYS A 24 9.264 23.720 -0.200 1.00 0.00 C ATOM 22 C LYS A 24 7.836 23.403 -0.628 1.00 0.00 C ATOM 23 O LYS A 24 6.915 24.190 -0.401 1.00 0.00 O ATOM 24 CB LYS A 24 9.589 22.951 1.101 1.00 0.00 C ATOM 25 CG LYS A 24 11.013 22.384 1.209 1.00 0.00 C ATOM 26 CD LYS A 24 11.277 21.289 0.167 1.00 0.00 C ATOM 27 CE LYS A 24 12.494 20.436 0.536 1.00 0.00 C ATOM 28 NZ LYS A 24 12.763 19.390 -0.475 1.00 0.00 N ATOM 0 H LYS A 24 8.576 25.571 0.482 1.00 0.00 H new ATOM 0 HA LYS A 24 9.969 23.413 -0.972 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.420 23.618 1.946 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.882 22.127 1.199 1.00 0.00 H new ATOM 0 HG2 LYS A 24 11.735 23.190 1.078 1.00 0.00 H new ATOM 0 HG3 LYS A 24 11.166 21.978 2.209 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.398 20.650 0.080 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.436 21.747 -0.809 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.370 21.077 0.636 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.329 19.968 1.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.594 18.835 -0.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.938 18.762 -0.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.946 19.837 -1.396 1.00 0.00 H new ATOM 42 N VAL A 25 7.636 22.217 -1.188 1.00 0.00 N ATOM 43 CA VAL A 25 6.334 21.622 -1.452 1.00 0.00 C ATOM 44 C VAL A 25 6.491 20.175 -0.984 1.00 0.00 C ATOM 45 O VAL A 25 7.488 19.559 -1.376 1.00 0.00 O ATOM 46 CB VAL A 25 5.990 21.695 -2.956 1.00 0.00 C ATOM 47 CG1 VAL A 25 4.616 21.077 -3.259 1.00 0.00 C ATOM 48 CG2 VAL A 25 5.980 23.132 -3.489 1.00 0.00 C ATOM 0 H VAL A 25 8.409 21.620 -1.482 1.00 0.00 H new ATOM 0 HA VAL A 25 5.521 22.137 -0.941 1.00 0.00 H new ATOM 0 HB VAL A 25 6.777 21.128 -3.454 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.412 21.149 -4.327 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.614 20.029 -2.959 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.845 21.614 -2.706 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.733 23.125 -4.551 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.236 23.716 -2.947 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.964 23.579 -3.349 1.00 0.00 H new ATOM 58 N PRO A 26 5.564 19.606 -0.191 1.00 0.00 N ATOM 59 CA PRO A 26 5.569 18.179 0.097 1.00 0.00 C ATOM 60 C PRO A 26 5.455 17.457 -1.248 1.00 0.00 C ATOM 61 O PRO A 26 4.439 17.631 -1.924 1.00 0.00 O ATOM 62 CB PRO A 26 4.374 17.919 1.014 1.00 0.00 C ATOM 63 CG PRO A 26 3.432 19.092 0.751 1.00 0.00 C ATOM 64 CD PRO A 26 4.352 20.230 0.317 1.00 0.00 C ATOM 0 HA PRO A 26 6.470 17.824 0.597 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.896 16.966 0.784 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.677 17.879 2.060 1.00 0.00 H new ATOM 0 HG2 PRO A 26 2.705 18.851 -0.025 1.00 0.00 H new ATOM 0 HG3 PRO A 26 2.868 19.357 1.645 1.00 0.00 H new ATOM 0 HD2 PRO A 26 3.878 20.841 -0.451 1.00 0.00 H new ATOM 0 HD3 PRO A 26 4.576 20.889 1.155 1.00 0.00 H new ATOM 72 N PRO A 27 6.481 16.735 -1.726 1.00 0.00 N ATOM 73 CA PRO A 27 6.455 16.243 -3.094 1.00 0.00 C ATOM 74 C PRO A 27 5.353 15.206 -3.334 1.00 0.00 C ATOM 75 O PRO A 27 4.831 15.126 -4.451 1.00 0.00 O ATOM 76 CB PRO A 27 7.829 15.604 -3.329 1.00 0.00 C ATOM 77 CG PRO A 27 8.722 16.083 -2.186 1.00 0.00 C ATOM 78 CD PRO A 27 7.741 16.414 -1.067 1.00 0.00 C ATOM 0 HA PRO A 27 6.244 17.064 -3.780 1.00 0.00 H new ATOM 0 HB2 PRO A 27 7.756 14.516 -3.337 1.00 0.00 H new ATOM 0 HB3 PRO A 27 8.238 15.903 -4.294 1.00 0.00 H new ATOM 0 HG2 PRO A 27 9.429 15.312 -1.882 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.307 16.956 -2.475 1.00 0.00 H new ATOM 0 HD2 PRO A 27 7.623 15.570 -0.388 1.00 0.00 H new ATOM 0 HD3 PRO A 27 8.096 17.255 -0.471 1.00 0.00 H new ATOM 86 N HIS A 28 4.969 14.476 -2.273 1.00 0.00 N ATOM 87 CA HIS A 28 4.129 13.274 -2.292 1.00 0.00 C ATOM 88 C HIS A 28 4.877 12.221 -3.134 1.00 0.00 C ATOM 89 O HIS A 28 5.887 12.526 -3.779 1.00 0.00 O ATOM 90 CB HIS A 28 2.691 13.505 -2.802 1.00 0.00 C ATOM 91 CG HIS A 28 1.905 14.653 -2.200 1.00 0.00 C ATOM 92 ND1 HIS A 28 2.245 15.987 -2.226 1.00 0.00 N ATOM 93 CD2 HIS A 28 0.642 14.574 -1.672 1.00 0.00 C ATOM 94 CE1 HIS A 28 1.226 16.694 -1.723 1.00 0.00 C ATOM 95 NE2 HIS A 28 0.213 15.878 -1.376 1.00 0.00 N ATOM 0 H HIS A 28 5.255 14.726 -1.326 1.00 0.00 H new ATOM 0 HA HIS A 28 3.979 12.934 -1.267 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.738 13.660 -3.880 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.125 12.588 -2.636 1.00 0.00 H new ATOM 0 HD1 HIS A 28 3.125 16.371 -2.570 1.00 0.00 H new ATOM 0 HD2 HIS A 28 0.076 13.668 -1.512 1.00 0.00 H new ATOM 0 HE1 HIS A 28 1.218 17.768 -1.611 1.00 0.00 H new ATOM 103 N SER A 29 4.463 10.960 -3.138 1.00 0.00 N ATOM 104 CA SER A 29 5.025 9.971 -4.055 1.00 0.00 C ATOM 105 C SER A 29 3.997 8.905 -4.366 1.00 0.00 C ATOM 106 O SER A 29 4.347 7.738 -4.478 1.00 0.00 O ATOM 107 CB SER A 29 6.342 9.418 -3.496 1.00 0.00 C ATOM 108 OG SER A 29 7.338 10.386 -3.780 1.00 0.00 O ATOM 0 H SER A 29 3.740 10.596 -2.517 1.00 0.00 H new ATOM 0 HA SER A 29 5.274 10.441 -5.007 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.265 9.244 -2.423 1.00 0.00 H new ATOM 0 HB3 SER A 29 6.588 8.462 -3.957 1.00 0.00 H new ATOM 0 HG SER A 29 6.916 11.193 -4.141 1.00 0.00 H new ATOM 114 N ILE A 30 2.749 9.337 -4.555 1.00 0.00 N ATOM 115 CA ILE A 30 1.565 8.543 -4.836 1.00 0.00 C ATOM 116 C ILE A 30 1.938 7.358 -5.716 1.00 0.00 C ATOM 117 O ILE A 30 1.662 6.223 -5.383 1.00 0.00 O ATOM 118 CB ILE A 30 0.509 9.452 -5.528 1.00 0.00 C ATOM 119 CG1 ILE A 30 0.231 10.782 -4.789 1.00 0.00 C ATOM 120 CG2 ILE A 30 -0.818 8.730 -5.834 1.00 0.00 C ATOM 121 CD1 ILE A 30 -0.367 10.590 -3.397 1.00 0.00 C ATOM 0 H ILE A 30 2.529 10.332 -4.511 1.00 0.00 H new ATOM 0 HA ILE A 30 1.140 8.150 -3.912 1.00 0.00 H new ATOM 0 HB ILE A 30 0.983 9.705 -6.476 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.162 11.342 -4.702 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.450 11.386 -5.388 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.507 9.424 -6.316 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.629 7.887 -6.498 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.258 8.368 -4.905 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.536 11.563 -2.936 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.314 10.057 -3.478 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.322 10.012 -2.781 1.00 0.00 H new ATOM 133 N GLU A 31 2.516 7.606 -6.876 1.00 0.00 N ATOM 134 CA GLU A 31 2.805 6.575 -7.855 1.00 0.00 C ATOM 135 C GLU A 31 3.870 5.560 -7.418 1.00 0.00 C ATOM 136 O GLU A 31 3.717 4.360 -7.639 1.00 0.00 O ATOM 137 CB GLU A 31 3.049 7.287 -9.174 1.00 0.00 C ATOM 138 CG GLU A 31 1.709 7.971 -9.542 1.00 0.00 C ATOM 139 CD GLU A 31 1.697 8.622 -10.918 1.00 0.00 C ATOM 140 OE1 GLU A 31 2.771 9.026 -11.416 1.00 0.00 O ATOM 141 OE2 GLU A 31 0.592 8.783 -11.492 1.00 0.00 O ATOM 0 H GLU A 31 2.802 8.540 -7.169 1.00 0.00 H new ATOM 0 HA GLU A 31 1.955 5.903 -7.973 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.849 8.021 -9.079 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.353 6.582 -9.948 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.911 7.230 -9.496 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.483 8.729 -8.792 1.00 0.00 H new ATOM 148 N ALA A 32 4.939 6.015 -6.769 1.00 0.00 N ATOM 149 CA ALA A 32 5.891 5.103 -6.136 1.00 0.00 C ATOM 150 C ALA A 32 5.218 4.322 -5.000 1.00 0.00 C ATOM 151 O ALA A 32 5.431 3.121 -4.899 1.00 0.00 O ATOM 152 CB ALA A 32 7.131 5.840 -5.626 1.00 0.00 C ATOM 0 H ALA A 32 5.168 7.004 -6.667 1.00 0.00 H new ATOM 0 HA ALA A 32 6.222 4.396 -6.896 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.813 5.127 -5.163 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.631 6.331 -6.461 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.833 6.588 -4.891 1.00 0.00 H new ATOM 158 N GLU A 33 4.394 4.974 -4.176 1.00 0.00 N ATOM 159 CA GLU A 33 3.596 4.362 -3.116 1.00 0.00 C ATOM 160 C GLU A 33 2.718 3.261 -3.725 1.00 0.00 C ATOM 161 O GLU A 33 2.738 2.125 -3.251 1.00 0.00 O ATOM 162 CB GLU A 33 2.739 5.429 -2.398 1.00 0.00 C ATOM 163 CG GLU A 33 3.488 6.501 -1.591 1.00 0.00 C ATOM 164 CD GLU A 33 2.627 7.749 -1.341 1.00 0.00 C ATOM 165 OE1 GLU A 33 1.419 7.596 -1.042 1.00 0.00 O ATOM 166 OE2 GLU A 33 3.157 8.883 -1.441 1.00 0.00 O ATOM 0 H GLU A 33 4.261 5.984 -4.233 1.00 0.00 H new ATOM 0 HA GLU A 33 4.255 3.918 -2.370 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.130 5.934 -3.148 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.054 4.915 -1.724 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.801 6.081 -0.635 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.394 6.788 -2.125 1.00 0.00 H new ATOM 173 N GLN A 34 2.010 3.570 -4.818 1.00 0.00 N ATOM 174 CA GLN A 34 1.206 2.638 -5.587 1.00 0.00 C ATOM 175 C GLN A 34 2.056 1.430 -5.995 1.00 0.00 C ATOM 176 O GLN A 34 1.582 0.304 -5.877 1.00 0.00 O ATOM 177 CB GLN A 34 0.610 3.296 -6.850 1.00 0.00 C ATOM 178 CG GLN A 34 -0.591 4.231 -6.662 1.00 0.00 C ATOM 179 CD GLN A 34 -1.221 4.553 -8.015 1.00 0.00 C ATOM 180 OE1 GLN A 34 -0.689 5.327 -8.813 1.00 0.00 O ATOM 181 NE2 GLN A 34 -2.331 3.915 -8.338 1.00 0.00 N ATOM 0 H GLN A 34 1.987 4.516 -5.198 1.00 0.00 H new ATOM 0 HA GLN A 34 0.379 2.318 -4.953 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.403 3.861 -7.341 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.314 2.502 -7.535 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.329 3.762 -6.011 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -0.272 5.151 -6.172 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.764 3.276 -7.671 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.755 4.061 -9.254 1.00 0.00 H new ATOM 190 N SER A 35 3.277 1.639 -6.493 1.00 0.00 N ATOM 191 CA SER A 35 4.164 0.559 -6.911 1.00 0.00 C ATOM 192 C SER A 35 4.820 -0.204 -5.760 1.00 0.00 C ATOM 193 O SER A 35 5.238 -1.340 -5.961 1.00 0.00 O ATOM 194 CB SER A 35 5.228 1.098 -7.858 1.00 0.00 C ATOM 195 OG SER A 35 4.629 1.487 -9.085 1.00 0.00 O ATOM 0 H SER A 35 3.677 2.569 -6.617 1.00 0.00 H new ATOM 0 HA SER A 35 3.530 -0.167 -7.420 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.734 1.950 -7.404 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.986 0.336 -8.039 1.00 0.00 H new ATOM 0 HG SER A 35 3.891 0.878 -9.296 1.00 0.00 H new ATOM 201 N VAL A 36 4.924 0.361 -4.558 1.00 0.00 N ATOM 202 CA VAL A 36 5.316 -0.431 -3.396 1.00 0.00 C ATOM 203 C VAL A 36 4.185 -1.426 -3.156 1.00 0.00 C ATOM 204 O VAL A 36 4.426 -2.626 -3.105 1.00 0.00 O ATOM 205 CB VAL A 36 5.608 0.452 -2.163 1.00 0.00 C ATOM 206 CG1 VAL A 36 5.818 -0.383 -0.893 1.00 0.00 C ATOM 207 CG2 VAL A 36 6.878 1.284 -2.365 1.00 0.00 C ATOM 0 H VAL A 36 4.746 1.347 -4.366 1.00 0.00 H new ATOM 0 HA VAL A 36 6.253 -0.958 -3.578 1.00 0.00 H new ATOM 0 HB VAL A 36 4.736 1.095 -2.048 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.020 0.279 -0.051 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.920 -0.966 -0.688 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.663 -1.057 -1.036 1.00 0.00 H new ATOM 0 HG21 VAL A 36 7.057 1.895 -1.480 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.727 0.619 -2.525 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.755 1.931 -3.234 1.00 0.00 H new ATOM 217 N LEU A 37 2.944 -0.950 -3.061 1.00 0.00 N ATOM 218 CA LEU A 37 1.787 -1.800 -2.798 1.00 0.00 C ATOM 219 C LEU A 37 1.588 -2.824 -3.917 1.00 0.00 C ATOM 220 O LEU A 37 1.290 -3.987 -3.652 1.00 0.00 O ATOM 221 CB LEU A 37 0.542 -0.925 -2.626 1.00 0.00 C ATOM 222 CG LEU A 37 0.666 0.076 -1.463 1.00 0.00 C ATOM 223 CD1 LEU A 37 -0.575 0.958 -1.429 1.00 0.00 C ATOM 224 CD2 LEU A 37 0.892 -0.599 -0.107 1.00 0.00 C ATOM 0 H LEU A 37 2.714 0.038 -3.165 1.00 0.00 H new ATOM 0 HA LEU A 37 1.960 -2.358 -1.878 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.359 -0.378 -3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.324 -1.565 -2.457 1.00 0.00 H new ATOM 0 HG LEU A 37 1.553 0.683 -1.644 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.493 1.669 -0.607 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.662 1.500 -2.371 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.459 0.337 -1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.971 0.162 0.670 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.053 -1.259 0.115 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.813 -1.181 -0.139 1.00 0.00 H new ATOM 236 N GLY A 38 1.777 -2.399 -5.163 1.00 0.00 N ATOM 237 CA GLY A 38 1.819 -3.263 -6.328 1.00 0.00 C ATOM 238 C GLY A 38 2.875 -4.346 -6.167 1.00 0.00 C ATOM 239 O GLY A 38 2.563 -5.532 -6.283 1.00 0.00 O ATOM 0 H GLY A 38 1.909 -1.414 -5.392 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.842 -3.722 -6.480 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.034 -2.670 -7.217 1.00 0.00 H new ATOM 243 N GLY A 39 4.107 -3.948 -5.850 1.00 0.00 N ATOM 244 CA GLY A 39 5.226 -4.846 -5.649 1.00 0.00 C ATOM 245 C GLY A 39 4.970 -5.839 -4.522 1.00 0.00 C ATOM 246 O GLY A 39 5.379 -6.992 -4.635 1.00 0.00 O ATOM 0 H GLY A 39 4.352 -2.966 -5.725 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.424 -5.390 -6.573 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.120 -4.265 -5.423 1.00 0.00 H new ATOM 250 N LEU A 40 4.289 -5.420 -3.459 1.00 0.00 N ATOM 251 CA LEU A 40 3.947 -6.263 -2.324 1.00 0.00 C ATOM 252 C LEU A 40 2.925 -7.325 -2.718 1.00 0.00 C ATOM 253 O LEU A 40 3.081 -8.483 -2.337 1.00 0.00 O ATOM 254 CB LEU A 40 3.411 -5.394 -1.179 1.00 0.00 C ATOM 255 CG LEU A 40 4.484 -4.574 -0.440 1.00 0.00 C ATOM 256 CD1 LEU A 40 3.798 -3.667 0.585 1.00 0.00 C ATOM 257 CD2 LEU A 40 5.511 -5.464 0.255 1.00 0.00 C ATOM 0 H LEU A 40 3.953 -4.462 -3.364 1.00 0.00 H new ATOM 0 HA LEU A 40 4.847 -6.779 -1.989 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.662 -4.711 -1.579 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.904 -6.037 -0.459 1.00 0.00 H new ATOM 0 HG LEU A 40 5.023 -3.977 -1.176 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.550 -3.082 1.114 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.109 -2.995 0.073 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.245 -4.278 1.299 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.248 -4.841 0.763 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.008 -6.099 0.984 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.012 -6.088 -0.485 1.00 0.00 H new ATOM 269 N MET A 41 1.900 -6.973 -3.499 1.00 0.00 N ATOM 270 CA MET A 41 0.988 -7.981 -4.043 1.00 0.00 C ATOM 271 C MET A 41 1.731 -8.927 -4.989 1.00 0.00 C ATOM 272 O MET A 41 1.361 -10.099 -5.086 1.00 0.00 O ATOM 273 CB MET A 41 -0.200 -7.316 -4.758 1.00 0.00 C ATOM 274 CG MET A 41 -1.216 -6.752 -3.760 1.00 0.00 C ATOM 275 SD MET A 41 -2.598 -5.821 -4.474 1.00 0.00 S ATOM 276 CE MET A 41 -1.836 -4.194 -4.631 1.00 0.00 C ATOM 0 H MET A 41 1.683 -6.013 -3.765 1.00 0.00 H new ATOM 0 HA MET A 41 0.596 -8.568 -3.212 1.00 0.00 H new ATOM 0 HB2 MET A 41 0.164 -6.514 -5.400 1.00 0.00 H new ATOM 0 HB3 MET A 41 -0.690 -8.044 -5.404 1.00 0.00 H new ATOM 0 HG2 MET A 41 -1.623 -7.580 -3.179 1.00 0.00 H new ATOM 0 HG3 MET A 41 -0.688 -6.102 -3.062 1.00 0.00 H new ATOM 0 HE1 MET A 41 -2.612 -3.440 -4.764 1.00 0.00 H new ATOM 0 HE2 MET A 41 -1.265 -3.971 -3.730 1.00 0.00 H new ATOM 0 HE3 MET A 41 -1.170 -4.186 -5.494 1.00 0.00 H new ATOM 286 N LEU A 42 2.764 -8.448 -5.688 1.00 0.00 N ATOM 287 CA LEU A 42 3.596 -9.230 -6.596 1.00 0.00 C ATOM 288 C LEU A 42 4.462 -10.240 -5.846 1.00 0.00 C ATOM 289 O LEU A 42 4.396 -11.439 -6.119 1.00 0.00 O ATOM 290 CB LEU A 42 4.418 -8.286 -7.496 1.00 0.00 C ATOM 291 CG LEU A 42 3.829 -8.246 -8.918 1.00 0.00 C ATOM 292 CD1 LEU A 42 4.092 -6.900 -9.591 1.00 0.00 C ATOM 293 CD2 LEU A 42 4.413 -9.389 -9.751 1.00 0.00 C ATOM 0 H LEU A 42 3.051 -7.471 -5.633 1.00 0.00 H new ATOM 0 HA LEU A 42 2.950 -9.824 -7.242 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.424 -7.283 -7.070 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.454 -8.622 -7.535 1.00 0.00 H new ATOM 0 HG LEU A 42 2.748 -8.371 -8.847 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.664 -6.904 -10.593 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.634 -6.104 -9.004 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.167 -6.730 -9.657 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.994 -9.357 -10.757 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.496 -9.282 -9.806 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.165 -10.343 -9.285 1.00 0.00 H new ATOM 305 N ASP A 43 5.241 -9.782 -4.876 1.00 0.00 N ATOM 306 CA ASP A 43 6.249 -10.551 -4.141 1.00 0.00 C ATOM 307 C ASP A 43 6.153 -10.240 -2.660 1.00 0.00 C ATOM 308 O ASP A 43 6.884 -9.421 -2.110 1.00 0.00 O ATOM 309 CB ASP A 43 7.639 -10.295 -4.723 1.00 0.00 C ATOM 310 CG ASP A 43 8.762 -11.068 -4.025 1.00 0.00 C ATOM 311 OD1 ASP A 43 8.523 -12.183 -3.494 1.00 0.00 O ATOM 312 OD2 ASP A 43 9.932 -10.633 -4.138 1.00 0.00 O ATOM 0 H ASP A 43 5.188 -8.814 -4.560 1.00 0.00 H new ATOM 0 HA ASP A 43 6.061 -11.619 -4.253 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.633 -10.560 -5.780 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.855 -9.228 -4.663 1.00 0.00 H new ATOM 317 N ASN A 44 5.199 -10.915 -2.026 1.00 0.00 N ATOM 318 CA ASN A 44 4.759 -10.640 -0.657 1.00 0.00 C ATOM 319 C ASN A 44 5.859 -10.715 0.392 1.00 0.00 C ATOM 320 O ASN A 44 5.725 -10.083 1.436 1.00 0.00 O ATOM 321 CB ASN A 44 3.601 -11.533 -0.215 1.00 0.00 C ATOM 322 CG ASN A 44 3.889 -13.006 -0.364 1.00 0.00 C ATOM 323 OD1 ASN A 44 4.420 -13.660 0.533 1.00 0.00 O ATOM 324 ND2 ASN A 44 3.499 -13.540 -1.500 1.00 0.00 N ATOM 0 H ASN A 44 4.696 -11.689 -2.459 1.00 0.00 H new ATOM 0 HA ASN A 44 4.424 -9.604 -0.712 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.366 -11.320 0.828 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.716 -11.283 -0.799 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.632 -14.537 -1.667 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.063 -12.957 -2.215 1.00 0.00 H new ATOM 331 N GLU A 45 6.947 -11.444 0.143 1.00 0.00 N ATOM 332 CA GLU A 45 8.036 -11.529 1.123 1.00 0.00 C ATOM 333 C GLU A 45 8.808 -10.212 1.211 1.00 0.00 C ATOM 334 O GLU A 45 9.493 -9.958 2.205 1.00 0.00 O ATOM 335 CB GLU A 45 9.002 -12.668 0.791 1.00 0.00 C ATOM 336 CG GLU A 45 8.314 -13.970 0.359 1.00 0.00 C ATOM 337 CD GLU A 45 9.311 -15.125 0.352 1.00 0.00 C ATOM 338 OE1 GLU A 45 9.539 -15.712 1.435 1.00 0.00 O ATOM 339 OE2 GLU A 45 9.876 -15.435 -0.726 1.00 0.00 O ATOM 0 H GLU A 45 7.099 -11.977 -0.713 1.00 0.00 H new ATOM 0 HA GLU A 45 7.575 -11.733 2.090 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.671 -12.342 -0.006 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.622 -12.870 1.665 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.492 -14.196 1.038 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.883 -13.848 -0.635 1.00 0.00 H new ATOM 346 N ARG A 46 8.638 -9.318 0.232 1.00 0.00 N ATOM 347 CA ARG A 46 9.233 -7.990 0.275 1.00 0.00 C ATOM 348 C ARG A 46 8.500 -7.115 1.282 1.00 0.00 C ATOM 349 O ARG A 46 8.972 -6.012 1.534 1.00 0.00 O ATOM 350 CB ARG A 46 9.209 -7.355 -1.126 1.00 0.00 C ATOM 351 CG ARG A 46 10.119 -8.118 -2.102 1.00 0.00 C ATOM 352 CD ARG A 46 11.578 -7.698 -1.891 1.00 0.00 C ATOM 353 NE ARG A 46 12.558 -8.743 -2.211 1.00 0.00 N ATOM 354 CZ ARG A 46 12.975 -9.108 -3.421 1.00 0.00 C ATOM 355 NH1 ARG A 46 12.167 -9.068 -4.474 1.00 0.00 N ATOM 356 NH2 ARG A 46 14.239 -9.449 -3.584 1.00 0.00 N ATOM 0 H ARG A 46 8.086 -9.499 -0.606 1.00 0.00 H new ATOM 0 HA ARG A 46 10.272 -8.076 0.594 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.188 -7.349 -1.507 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.532 -6.316 -1.062 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.014 -9.192 -1.947 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.817 -7.914 -3.129 1.00 0.00 H new ATOM 0 HD2 ARG A 46 11.784 -6.822 -2.506 1.00 0.00 H new ATOM 0 HD3 ARG A 46 11.711 -7.397 -0.852 1.00 0.00 H new ATOM 0 HE ARG A 46 12.963 -9.244 -1.420 1.00 0.00 H new ATOM 0 HH11 ARG A 46 11.203 -8.752 -4.366 1.00 0.00 H new ATOM 0 HH12 ARG A 46 12.510 -9.353 -5.391 1.00 0.00 H new ATOM 0 HH21 ARG A 46 14.879 -9.430 -2.790 1.00 0.00 H new ATOM 0 HH22 ARG A 46 14.576 -9.732 -4.504 1.00 0.00 H new ATOM 370 N TRP A 47 7.421 -7.605 1.909 1.00 0.00 N ATOM 371 CA TRP A 47 6.795 -6.952 3.044 1.00 0.00 C ATOM 372 C TRP A 47 7.849 -6.528 4.044 1.00 0.00 C ATOM 373 O TRP A 47 7.879 -5.371 4.419 1.00 0.00 O ATOM 374 CB TRP A 47 5.768 -7.864 3.720 1.00 0.00 C ATOM 375 CG TRP A 47 5.171 -7.204 4.917 1.00 0.00 C ATOM 376 CD1 TRP A 47 5.595 -7.348 6.192 1.00 0.00 C ATOM 377 CD2 TRP A 47 4.193 -6.128 4.943 1.00 0.00 C ATOM 378 NE1 TRP A 47 4.905 -6.479 7.010 1.00 0.00 N ATOM 379 CE2 TRP A 47 4.057 -5.674 6.285 1.00 0.00 C ATOM 380 CE3 TRP A 47 3.467 -5.441 3.950 1.00 0.00 C ATOM 381 CZ2 TRP A 47 3.230 -4.598 6.626 1.00 0.00 C ATOM 382 CZ3 TRP A 47 2.623 -4.367 4.279 1.00 0.00 C ATOM 383 CH2 TRP A 47 2.495 -3.959 5.615 1.00 0.00 C ATOM 0 H TRP A 47 6.962 -8.473 1.633 1.00 0.00 H new ATOM 0 HA TRP A 47 6.269 -6.071 2.675 1.00 0.00 H new ATOM 0 HB2 TRP A 47 4.981 -8.119 3.011 1.00 0.00 H new ATOM 0 HB3 TRP A 47 6.245 -8.798 4.016 1.00 0.00 H new ATOM 0 HD1 TRP A 47 6.358 -8.038 6.520 1.00 0.00 H new ATOM 0 HE1 TRP A 47 5.010 -6.438 8.024 1.00 0.00 H new ATOM 0 HE3 TRP A 47 3.561 -5.745 2.918 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 3.158 -4.264 7.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 2.073 -3.855 3.503 1.00 0.00 H new ATOM 0 HH2 TRP A 47 1.827 -3.149 5.867 1.00 0.00 H new ATOM 394 N ASP A 48 8.712 -7.446 4.466 1.00 0.00 N ATOM 395 CA ASP A 48 9.714 -7.170 5.491 1.00 0.00 C ATOM 396 C ASP A 48 10.770 -6.165 5.059 1.00 0.00 C ATOM 397 O ASP A 48 11.356 -5.482 5.896 1.00 0.00 O ATOM 398 CB ASP A 48 10.404 -8.484 5.842 1.00 0.00 C ATOM 399 CG ASP A 48 9.626 -9.267 6.891 1.00 0.00 C ATOM 400 OD1 ASP A 48 8.658 -9.971 6.519 1.00 0.00 O ATOM 401 OD2 ASP A 48 10.007 -9.253 8.083 1.00 0.00 O ATOM 0 H ASP A 48 8.737 -8.401 4.108 1.00 0.00 H new ATOM 0 HA ASP A 48 9.195 -6.731 6.343 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.512 -9.090 4.942 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.409 -8.280 6.212 1.00 0.00 H new ATOM 406 N ASP A 49 11.073 -6.116 3.768 1.00 0.00 N ATOM 407 CA ASP A 49 12.132 -5.263 3.227 1.00 0.00 C ATOM 408 C ASP A 49 11.572 -3.843 3.144 1.00 0.00 C ATOM 409 O ASP A 49 12.189 -2.887 3.603 1.00 0.00 O ATOM 410 CB ASP A 49 12.615 -5.794 1.864 1.00 0.00 C ATOM 411 CG ASP A 49 12.823 -4.697 0.821 1.00 0.00 C ATOM 412 OD1 ASP A 49 13.809 -3.943 0.994 1.00 0.00 O ATOM 413 OD2 ASP A 49 12.106 -4.659 -0.198 1.00 0.00 O ATOM 0 H ASP A 49 10.590 -6.669 3.060 1.00 0.00 H new ATOM 0 HA ASP A 49 13.011 -5.265 3.872 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.552 -6.333 2.004 1.00 0.00 H new ATOM 0 HB3 ASP A 49 11.888 -6.512 1.484 1.00 0.00 H new ATOM 418 N VAL A 50 10.336 -3.718 2.675 1.00 0.00 N ATOM 419 CA VAL A 50 9.569 -2.490 2.679 1.00 0.00 C ATOM 420 C VAL A 50 9.313 -2.056 4.129 1.00 0.00 C ATOM 421 O VAL A 50 9.532 -0.890 4.435 1.00 0.00 O ATOM 422 CB VAL A 50 8.291 -2.772 1.871 1.00 0.00 C ATOM 423 CG1 VAL A 50 7.262 -1.645 1.997 1.00 0.00 C ATOM 424 CG2 VAL A 50 8.615 -2.956 0.375 1.00 0.00 C ATOM 0 H VAL A 50 9.826 -4.502 2.267 1.00 0.00 H new ATOM 0 HA VAL A 50 10.091 -1.654 2.214 1.00 0.00 H new ATOM 0 HB VAL A 50 7.869 -3.687 2.286 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.378 -1.892 1.409 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.980 -1.525 3.043 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.695 -0.715 1.629 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.695 -3.154 -0.175 1.00 0.00 H new ATOM 0 HG22 VAL A 50 9.080 -2.049 -0.011 1.00 0.00 H new ATOM 0 HG23 VAL A 50 9.299 -3.795 0.252 1.00 0.00 H new ATOM 434 N ALA A 51 8.900 -2.943 5.036 1.00 0.00 N ATOM 435 CA ALA A 51 8.592 -2.616 6.427 1.00 0.00 C ATOM 436 C ALA A 51 9.824 -2.168 7.221 1.00 0.00 C ATOM 437 O ALA A 51 9.712 -1.545 8.278 1.00 0.00 O ATOM 438 CB ALA A 51 7.890 -3.786 7.123 1.00 0.00 C ATOM 0 H ALA A 51 8.768 -3.931 4.818 1.00 0.00 H new ATOM 0 HA ALA A 51 7.911 -1.765 6.401 1.00 0.00 H new ATOM 0 HB1 ALA A 51 7.672 -3.517 8.156 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.959 -4.013 6.603 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.539 -4.662 7.105 1.00 0.00 H new ATOM 444 N GLU A 52 11.016 -2.438 6.702 1.00 0.00 N ATOM 445 CA GLU A 52 12.262 -1.919 7.224 1.00 0.00 C ATOM 446 C GLU A 52 12.382 -0.432 6.870 1.00 0.00 C ATOM 447 O GLU A 52 12.901 0.364 7.655 1.00 0.00 O ATOM 448 CB GLU A 52 13.414 -2.726 6.595 1.00 0.00 C ATOM 449 CG GLU A 52 14.244 -3.486 7.624 1.00 0.00 C ATOM 450 CD GLU A 52 15.366 -2.622 8.187 1.00 0.00 C ATOM 451 OE1 GLU A 52 16.470 -2.588 7.588 1.00 0.00 O ATOM 452 OE2 GLU A 52 15.177 -1.948 9.224 1.00 0.00 O ATOM 0 H GLU A 52 11.139 -3.039 5.887 1.00 0.00 H new ATOM 0 HA GLU A 52 12.300 -2.014 8.309 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.003 -3.433 5.875 1.00 0.00 H new ATOM 0 HB3 GLU A 52 14.064 -2.049 6.041 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.599 -3.821 8.436 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.667 -4.379 7.164 1.00 0.00 H new ATOM 459 N ARG A 53 11.883 -0.032 5.698 1.00 0.00 N ATOM 460 CA ARG A 53 11.964 1.339 5.193 1.00 0.00 C ATOM 461 C ARG A 53 10.801 2.158 5.730 1.00 0.00 C ATOM 462 O ARG A 53 11.000 3.334 6.030 1.00 0.00 O ATOM 463 CB ARG A 53 11.962 1.362 3.645 1.00 0.00 C ATOM 464 CG ARG A 53 13.305 1.070 2.947 1.00 0.00 C ATOM 465 CD ARG A 53 14.053 -0.122 3.550 1.00 0.00 C ATOM 466 NE ARG A 53 15.044 -0.712 2.639 1.00 0.00 N ATOM 467 CZ ARG A 53 16.060 -1.502 3.005 1.00 0.00 C ATOM 468 NH1 ARG A 53 16.304 -1.749 4.290 1.00 0.00 N ATOM 469 NH2 ARG A 53 16.840 -2.034 2.073 1.00 0.00 N ATOM 0 H ARG A 53 11.401 -0.666 5.061 1.00 0.00 H new ATOM 0 HA ARG A 53 12.901 1.776 5.537 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.231 0.633 3.295 1.00 0.00 H new ATOM 0 HB3 ARG A 53 11.616 2.343 3.320 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.123 0.879 1.889 1.00 0.00 H new ATOM 0 HG3 ARG A 53 13.938 1.955 3.007 1.00 0.00 H new ATOM 0 HD2 ARG A 53 14.555 0.198 4.463 1.00 0.00 H new ATOM 0 HD3 ARG A 53 13.331 -0.888 3.835 1.00 0.00 H new ATOM 0 HE ARG A 53 14.949 -0.502 1.645 1.00 0.00 H new ATOM 0 HH11 ARG A 53 15.713 -1.334 5.010 1.00 0.00 H new ATOM 0 HH12 ARG A 53 17.082 -2.353 4.554 1.00 0.00 H new ATOM 0 HH21 ARG A 53 16.663 -1.839 1.088 1.00 0.00 H new ATOM 0 HH22 ARG A 53 17.617 -2.638 2.342 1.00 0.00 H new ATOM 483 N VAL A 54 9.612 1.576 5.837 1.00 0.00 N ATOM 484 CA VAL A 54 8.389 2.299 6.113 1.00 0.00 C ATOM 485 C VAL A 54 7.464 1.507 7.037 1.00 0.00 C ATOM 486 O VAL A 54 7.661 0.318 7.254 1.00 0.00 O ATOM 487 CB VAL A 54 7.688 2.589 4.772 1.00 0.00 C ATOM 488 CG1 VAL A 54 8.428 3.633 3.930 1.00 0.00 C ATOM 489 CG2 VAL A 54 7.428 1.372 3.872 1.00 0.00 C ATOM 0 H VAL A 54 9.475 0.571 5.732 1.00 0.00 H new ATOM 0 HA VAL A 54 8.630 3.230 6.626 1.00 0.00 H new ATOM 0 HB VAL A 54 6.721 2.965 5.106 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.889 3.797 2.997 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.489 4.570 4.483 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.434 3.276 3.709 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.931 1.695 2.957 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.376 0.896 3.621 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.792 0.660 4.398 1.00 0.00 H new ATOM 499 N VAL A 55 6.424 2.154 7.545 1.00 0.00 N ATOM 500 CA VAL A 55 5.298 1.556 8.249 1.00 0.00 C ATOM 501 C VAL A 55 4.026 2.226 7.717 1.00 0.00 C ATOM 502 O VAL A 55 4.102 3.186 6.948 1.00 0.00 O ATOM 503 CB VAL A 55 5.458 1.687 9.778 1.00 0.00 C ATOM 504 CG1 VAL A 55 6.621 0.828 10.297 1.00 0.00 C ATOM 505 CG2 VAL A 55 5.649 3.132 10.252 1.00 0.00 C ATOM 0 H VAL A 55 6.339 3.168 7.473 1.00 0.00 H new ATOM 0 HA VAL A 55 5.244 0.483 8.064 1.00 0.00 H new ATOM 0 HB VAL A 55 4.517 1.326 10.194 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.705 0.944 11.378 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.435 -0.219 10.058 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.549 1.149 9.824 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.755 3.148 11.337 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.545 3.550 9.794 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.783 3.727 9.963 1.00 0.00 H new ATOM 515 N ALA A 56 2.845 1.757 8.132 1.00 0.00 N ATOM 516 CA ALA A 56 1.575 2.276 7.632 1.00 0.00 C ATOM 517 C ALA A 56 1.467 3.797 7.755 1.00 0.00 C ATOM 518 O ALA A 56 0.894 4.430 6.873 1.00 0.00 O ATOM 519 CB ALA A 56 0.409 1.620 8.376 1.00 0.00 C ATOM 0 H ALA A 56 2.746 1.011 8.820 1.00 0.00 H new ATOM 0 HA ALA A 56 1.531 2.030 6.571 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.533 2.014 7.995 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.440 0.541 8.222 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.489 1.837 9.441 1.00 0.00 H new ATOM 525 N ASP A 57 2.007 4.385 8.827 1.00 0.00 N ATOM 526 CA ASP A 57 1.863 5.819 9.089 1.00 0.00 C ATOM 527 C ASP A 57 2.509 6.686 8.010 1.00 0.00 C ATOM 528 O ASP A 57 2.057 7.802 7.748 1.00 0.00 O ATOM 529 CB ASP A 57 2.484 6.178 10.441 1.00 0.00 C ATOM 530 CG ASP A 57 1.959 7.529 10.933 1.00 0.00 C ATOM 531 OD1 ASP A 57 0.723 7.655 11.122 1.00 0.00 O ATOM 532 OD2 ASP A 57 2.763 8.460 11.172 1.00 0.00 O ATOM 0 H ASP A 57 2.551 3.886 9.531 1.00 0.00 H new ATOM 0 HA ASP A 57 0.792 6.023 9.091 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.251 5.403 11.172 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.570 6.215 10.350 1.00 0.00 H new ATOM 537 N ASP A 58 3.563 6.168 7.380 1.00 0.00 N ATOM 538 CA ASP A 58 4.353 6.850 6.364 1.00 0.00 C ATOM 539 C ASP A 58 3.547 7.050 5.082 1.00 0.00 C ATOM 540 O ASP A 58 3.793 8.000 4.330 1.00 0.00 O ATOM 541 CB ASP A 58 5.615 6.032 6.055 1.00 0.00 C ATOM 542 CG ASP A 58 6.587 5.972 7.230 1.00 0.00 C ATOM 543 OD1 ASP A 58 6.868 7.020 7.846 1.00 0.00 O ATOM 544 OD2 ASP A 58 7.060 4.870 7.571 1.00 0.00 O ATOM 0 H ASP A 58 3.900 5.225 7.573 1.00 0.00 H new ATOM 0 HA ASP A 58 4.632 7.830 6.750 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.326 5.018 5.777 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.121 6.466 5.193 1.00 0.00 H new ATOM 549 N PHE A 59 2.549 6.200 4.831 1.00 0.00 N ATOM 550 CA PHE A 59 1.638 6.331 3.713 1.00 0.00 C ATOM 551 C PHE A 59 0.553 7.340 4.095 1.00 0.00 C ATOM 552 O PHE A 59 -0.569 6.971 4.423 1.00 0.00 O ATOM 553 CB PHE A 59 1.067 4.957 3.338 1.00 0.00 C ATOM 554 CG PHE A 59 2.095 3.991 2.781 1.00 0.00 C ATOM 555 CD1 PHE A 59 2.839 3.180 3.657 1.00 0.00 C ATOM 556 CD2 PHE A 59 2.320 3.905 1.393 1.00 0.00 C ATOM 557 CE1 PHE A 59 3.793 2.284 3.149 1.00 0.00 C ATOM 558 CE2 PHE A 59 3.245 2.976 0.881 1.00 0.00 C ATOM 559 CZ PHE A 59 3.984 2.167 1.761 1.00 0.00 C ATOM 0 H PHE A 59 2.355 5.388 5.417 1.00 0.00 H new ATOM 0 HA PHE A 59 2.153 6.703 2.827 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.608 4.513 4.221 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.275 5.093 2.601 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.676 3.247 4.723 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.781 4.554 0.719 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.382 1.683 3.826 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.387 2.885 -0.186 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.698 1.456 1.372 1.00 0.00 H new ATOM 569 N TYR A 60 0.872 8.634 4.013 1.00 0.00 N ATOM 570 CA TYR A 60 -0.076 9.741 4.189 1.00 0.00 C ATOM 571 C TYR A 60 -1.364 9.549 3.371 1.00 0.00 C ATOM 572 O TYR A 60 -2.454 9.984 3.768 1.00 0.00 O ATOM 573 CB TYR A 60 0.626 11.037 3.752 1.00 0.00 C ATOM 574 CG TYR A 60 -0.306 12.201 3.473 1.00 0.00 C ATOM 575 CD1 TYR A 60 -0.947 12.847 4.543 1.00 0.00 C ATOM 576 CD2 TYR A 60 -0.564 12.609 2.148 1.00 0.00 C ATOM 577 CE1 TYR A 60 -1.812 13.928 4.310 1.00 0.00 C ATOM 578 CE2 TYR A 60 -1.430 13.691 1.907 1.00 0.00 C ATOM 579 CZ TYR A 60 -2.061 14.351 2.988 1.00 0.00 C ATOM 580 OH TYR A 60 -2.916 15.383 2.770 1.00 0.00 O ATOM 0 H TYR A 60 1.822 8.951 3.817 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.373 9.781 5.237 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.331 11.332 4.529 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.209 10.833 2.854 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -0.773 12.509 5.554 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.098 12.093 1.321 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -2.285 14.433 5.139 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.614 14.019 0.894 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.982 15.556 1.808 1.00 0.00 H new ATOM 590 N THR A 61 -1.216 8.947 2.197 1.00 0.00 N ATOM 591 CA THR A 61 -2.217 8.823 1.169 1.00 0.00 C ATOM 592 C THR A 61 -3.259 7.781 1.580 1.00 0.00 C ATOM 593 O THR A 61 -2.951 6.595 1.656 1.00 0.00 O ATOM 594 CB THR A 61 -1.513 8.543 -0.135 1.00 0.00 C ATOM 595 OG1 THR A 61 -0.332 9.321 -0.248 1.00 0.00 O ATOM 596 CG2 THR A 61 -2.413 8.828 -1.327 1.00 0.00 C ATOM 0 H THR A 61 -0.335 8.508 1.931 1.00 0.00 H new ATOM 0 HA THR A 61 -2.784 9.744 1.030 1.00 0.00 H new ATOM 0 HB THR A 61 -1.253 7.484 -0.136 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.332 8.833 -0.779 1.00 0.00 H new ATOM 0 HG21 THR A 61 -1.873 8.615 -2.250 1.00 0.00 H new ATOM 0 HG22 THR A 61 -3.300 8.197 -1.272 1.00 0.00 H new ATOM 0 HG23 THR A 61 -2.712 9.876 -1.315 1.00 0.00 H new ATOM 604 N ARG A 62 -4.493 8.202 1.868 1.00 0.00 N ATOM 605 CA ARG A 62 -5.548 7.362 2.445 1.00 0.00 C ATOM 606 C ARG A 62 -5.675 5.952 1.859 1.00 0.00 C ATOM 607 O ARG A 62 -5.634 5.014 2.654 1.00 0.00 O ATOM 608 CB ARG A 62 -6.897 8.080 2.359 1.00 0.00 C ATOM 609 CG ARG A 62 -7.161 8.979 3.572 1.00 0.00 C ATOM 610 CD ARG A 62 -8.436 9.814 3.391 1.00 0.00 C ATOM 611 NE ARG A 62 -9.526 9.064 2.750 1.00 0.00 N ATOM 612 CZ ARG A 62 -10.279 8.089 3.265 1.00 0.00 C ATOM 613 NH1 ARG A 62 -10.255 7.787 4.558 1.00 0.00 N ATOM 614 NH2 ARG A 62 -11.054 7.386 2.454 1.00 0.00 N ATOM 0 H ARG A 62 -4.795 9.162 1.702 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.243 7.211 3.480 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.927 8.682 1.451 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.694 7.341 2.278 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.252 8.365 4.468 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -6.310 9.642 3.726 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.771 10.171 4.365 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -8.205 10.694 2.791 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.734 9.322 1.785 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.648 8.306 5.192 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.844 7.036 4.917 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -11.068 7.593 1.455 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.637 6.637 2.828 1.00 0.00 H new ATOM 628 N PRO A 63 -5.862 5.731 0.542 1.00 0.00 N ATOM 629 CA PRO A 63 -6.007 4.376 0.017 1.00 0.00 C ATOM 630 C PRO A 63 -4.726 3.571 0.234 1.00 0.00 C ATOM 631 O PRO A 63 -4.798 2.381 0.525 1.00 0.00 O ATOM 632 CB PRO A 63 -6.342 4.544 -1.471 1.00 0.00 C ATOM 633 CG PRO A 63 -5.763 5.912 -1.822 1.00 0.00 C ATOM 634 CD PRO A 63 -5.984 6.703 -0.535 1.00 0.00 C ATOM 0 HA PRO A 63 -6.792 3.819 0.528 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.895 3.754 -2.074 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -7.417 4.508 -1.646 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.707 5.851 -2.085 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.277 6.365 -2.670 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.246 7.499 -0.431 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.966 7.176 -0.528 1.00 0.00 H new ATOM 642 N HIS A 64 -3.557 4.209 0.145 1.00 0.00 N ATOM 643 CA HIS A 64 -2.290 3.546 0.386 1.00 0.00 C ATOM 644 C HIS A 64 -2.171 3.149 1.864 1.00 0.00 C ATOM 645 O HIS A 64 -1.762 2.032 2.166 1.00 0.00 O ATOM 646 CB HIS A 64 -1.130 4.441 -0.097 1.00 0.00 C ATOM 647 CG HIS A 64 -1.219 4.874 -1.546 1.00 0.00 C ATOM 648 ND1 HIS A 64 -0.491 5.891 -2.127 1.00 0.00 N ATOM 649 CD2 HIS A 64 -1.982 4.309 -2.534 1.00 0.00 C ATOM 650 CE1 HIS A 64 -0.808 5.939 -3.434 1.00 0.00 C ATOM 651 NE2 HIS A 64 -1.728 5.004 -3.714 1.00 0.00 N ATOM 0 H HIS A 64 -3.470 5.196 -0.096 1.00 0.00 H new ATOM 0 HA HIS A 64 -2.237 2.621 -0.188 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -1.091 5.331 0.531 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -0.192 3.906 0.050 1.00 0.00 H new ATOM 0 HD1 HIS A 64 0.172 6.501 -1.649 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -2.658 3.475 -2.419 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -0.385 6.628 -4.150 1.00 0.00 H new ATOM 659 N ARG A 65 -2.605 4.019 2.780 1.00 0.00 N ATOM 660 CA ARG A 65 -2.624 3.792 4.221 1.00 0.00 C ATOM 661 C ARG A 65 -3.503 2.608 4.574 1.00 0.00 C ATOM 662 O ARG A 65 -3.072 1.725 5.314 1.00 0.00 O ATOM 663 CB ARG A 65 -3.105 5.068 4.930 1.00 0.00 C ATOM 664 CG ARG A 65 -2.408 5.222 6.286 1.00 0.00 C ATOM 665 CD ARG A 65 -2.613 6.611 6.891 1.00 0.00 C ATOM 666 NE ARG A 65 -4.035 6.943 7.065 1.00 0.00 N ATOM 667 CZ ARG A 65 -4.494 8.081 7.588 1.00 0.00 C ATOM 668 NH1 ARG A 65 -3.656 9.023 8.004 1.00 0.00 N ATOM 669 NH2 ARG A 65 -5.801 8.264 7.701 1.00 0.00 N ATOM 0 H ARG A 65 -2.967 4.938 2.523 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.614 3.557 4.558 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -2.898 5.938 4.307 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.185 5.028 5.072 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.789 4.468 6.975 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.341 5.034 6.167 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.110 6.661 7.857 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.145 7.357 6.249 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.721 6.252 6.763 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -2.649 8.881 7.925 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.019 9.889 8.402 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -6.446 7.538 7.389 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.162 9.131 8.100 1.00 0.00 H new ATOM 683 N HIS A 66 -4.730 2.598 4.052 1.00 0.00 N ATOM 684 CA HIS A 66 -5.650 1.492 4.145 1.00 0.00 C ATOM 685 C HIS A 66 -4.989 0.195 3.735 1.00 0.00 C ATOM 686 O HIS A 66 -4.948 -0.728 4.547 1.00 0.00 O ATOM 687 CB HIS A 66 -6.847 1.764 3.223 1.00 0.00 C ATOM 688 CG HIS A 66 -7.884 2.694 3.762 1.00 0.00 C ATOM 689 ND1 HIS A 66 -8.352 3.855 3.191 1.00 0.00 N ATOM 690 CD2 HIS A 66 -8.665 2.400 4.830 1.00 0.00 C ATOM 691 CE1 HIS A 66 -9.401 4.260 3.925 1.00 0.00 C ATOM 692 NE2 HIS A 66 -9.612 3.423 4.958 1.00 0.00 N ATOM 0 H HIS A 66 -5.112 3.392 3.538 1.00 0.00 H new ATOM 0 HA HIS A 66 -5.977 1.396 5.180 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -6.473 2.172 2.284 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -7.325 0.813 2.989 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -8.573 1.533 5.467 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -9.994 5.138 3.715 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -10.319 3.516 5.687 1.00 0.00 H new ATOM 700 N ILE A 67 -4.505 0.126 2.494 1.00 0.00 N ATOM 701 CA ILE A 67 -3.922 -1.082 1.945 1.00 0.00 C ATOM 702 C ILE A 67 -2.786 -1.527 2.859 1.00 0.00 C ATOM 703 O ILE A 67 -2.829 -2.659 3.322 1.00 0.00 O ATOM 704 CB ILE A 67 -3.494 -0.857 0.480 1.00 0.00 C ATOM 705 CG1 ILE A 67 -4.740 -0.670 -0.414 1.00 0.00 C ATOM 706 CG2 ILE A 67 -2.671 -2.054 -0.023 1.00 0.00 C ATOM 707 CD1 ILE A 67 -4.416 -0.027 -1.765 1.00 0.00 C ATOM 0 H ILE A 67 -4.510 0.913 1.846 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.652 -1.891 1.911 1.00 0.00 H new ATOM 0 HB ILE A 67 -2.880 0.042 0.431 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.208 -1.640 -0.582 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.468 -0.051 0.111 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.375 -1.883 -1.058 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.780 -2.169 0.595 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.273 -2.961 0.037 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.332 0.078 -2.347 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.974 0.956 -1.603 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.711 -0.657 -2.308 1.00 0.00 H new ATOM 719 N PHE A 68 -1.820 -0.658 3.169 1.00 0.00 N ATOM 720 CA PHE A 68 -0.680 -1.044 3.988 1.00 0.00 C ATOM 721 C PHE A 68 -1.126 -1.519 5.376 1.00 0.00 C ATOM 722 O PHE A 68 -0.552 -2.468 5.896 1.00 0.00 O ATOM 723 CB PHE A 68 0.337 0.103 4.077 1.00 0.00 C ATOM 724 CG PHE A 68 1.747 -0.366 4.395 1.00 0.00 C ATOM 725 CD1 PHE A 68 2.181 -0.507 5.725 1.00 0.00 C ATOM 726 CD2 PHE A 68 2.631 -0.688 3.349 1.00 0.00 C ATOM 727 CE1 PHE A 68 3.495 -0.922 6.008 1.00 0.00 C ATOM 728 CE2 PHE A 68 3.939 -1.116 3.630 1.00 0.00 C ATOM 729 CZ PHE A 68 4.379 -1.224 4.959 1.00 0.00 C ATOM 0 H PHE A 68 -1.809 0.315 2.863 1.00 0.00 H new ATOM 0 HA PHE A 68 -0.185 -1.888 3.507 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.347 0.645 3.131 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.014 0.807 4.844 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.500 -0.295 6.536 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.302 -0.606 2.324 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.824 -1.009 7.033 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.609 -1.363 2.820 1.00 0.00 H new ATOM 0 HZ PHE A 68 5.390 -1.537 5.173 1.00 0.00 H new ATOM 739 N THR A 69 -2.149 -0.911 5.988 1.00 0.00 N ATOM 740 CA THR A 69 -2.643 -1.374 7.283 1.00 0.00 C ATOM 741 C THR A 69 -3.275 -2.762 7.179 1.00 0.00 C ATOM 742 O THR A 69 -3.146 -3.565 8.106 1.00 0.00 O ATOM 743 CB THR A 69 -3.619 -0.317 7.824 1.00 0.00 C ATOM 744 OG1 THR A 69 -2.986 0.948 7.913 1.00 0.00 O ATOM 745 CG2 THR A 69 -4.186 -0.657 9.201 1.00 0.00 C ATOM 0 H THR A 69 -2.645 -0.104 5.609 1.00 0.00 H new ATOM 0 HA THR A 69 -1.816 -1.486 7.984 1.00 0.00 H new ATOM 0 HB THR A 69 -4.444 -0.296 7.112 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.901 1.335 7.017 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.866 0.133 9.519 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.726 -1.602 9.149 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.370 -0.744 9.919 1.00 0.00 H new ATOM 753 N GLU A 70 -3.968 -3.064 6.084 1.00 0.00 N ATOM 754 CA GLU A 70 -4.685 -4.311 5.955 1.00 0.00 C ATOM 755 C GLU A 70 -3.676 -5.405 5.574 1.00 0.00 C ATOM 756 O GLU A 70 -3.703 -6.493 6.137 1.00 0.00 O ATOM 757 CB GLU A 70 -5.788 -4.092 4.912 1.00 0.00 C ATOM 758 CG GLU A 70 -7.134 -4.641 5.389 1.00 0.00 C ATOM 759 CD GLU A 70 -7.109 -6.081 5.875 1.00 0.00 C ATOM 760 OE1 GLU A 70 -6.809 -6.976 5.065 1.00 0.00 O ATOM 761 OE2 GLU A 70 -7.508 -6.303 7.042 1.00 0.00 O ATOM 0 H GLU A 70 -4.043 -2.451 5.272 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.163 -4.635 6.879 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.883 -3.027 4.701 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.507 -4.578 3.978 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.501 -4.008 6.197 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.851 -4.562 4.572 1.00 0.00 H new ATOM 768 N MET A 71 -2.710 -5.079 4.707 1.00 0.00 N ATOM 769 CA MET A 71 -1.548 -5.902 4.400 1.00 0.00 C ATOM 770 C MET A 71 -0.801 -6.253 5.684 1.00 0.00 C ATOM 771 O MET A 71 -0.519 -7.428 5.910 1.00 0.00 O ATOM 772 CB MET A 71 -0.590 -5.176 3.447 1.00 0.00 C ATOM 773 CG MET A 71 -1.070 -5.081 2.001 1.00 0.00 C ATOM 774 SD MET A 71 0.209 -4.383 0.923 1.00 0.00 S ATOM 775 CE MET A 71 -0.401 -4.919 -0.691 1.00 0.00 C ATOM 0 H MET A 71 -2.722 -4.203 4.185 1.00 0.00 H new ATOM 0 HA MET A 71 -1.904 -6.811 3.916 1.00 0.00 H new ATOM 0 HB2 MET A 71 -0.420 -4.168 3.825 1.00 0.00 H new ATOM 0 HB3 MET A 71 0.372 -5.689 3.462 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.348 -6.072 1.643 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.966 -4.462 1.953 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.372 -4.760 -1.443 1.00 0.00 H new ATOM 0 HE2 MET A 71 -0.655 -5.978 -0.650 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.288 -4.343 -0.954 1.00 0.00 H new ATOM 785 N ALA A 72 -0.508 -5.259 6.531 1.00 0.00 N ATOM 786 CA ALA A 72 0.151 -5.473 7.810 1.00 0.00 C ATOM 787 C ALA A 72 -0.651 -6.473 8.634 1.00 0.00 C ATOM 788 O ALA A 72 -0.102 -7.475 9.086 1.00 0.00 O ATOM 789 CB ALA A 72 0.323 -4.145 8.560 1.00 0.00 C ATOM 0 H ALA A 72 -0.726 -4.281 6.340 1.00 0.00 H new ATOM 0 HA ALA A 72 1.147 -5.882 7.638 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.818 -4.327 9.514 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.929 -3.465 7.961 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.655 -3.698 8.738 1.00 0.00 H new ATOM 795 N ARG A 73 -1.957 -6.238 8.801 1.00 0.00 N ATOM 796 CA ARG A 73 -2.811 -7.156 9.557 1.00 0.00 C ATOM 797 C ARG A 73 -2.804 -8.572 8.996 1.00 0.00 C ATOM 798 O ARG A 73 -2.786 -9.523 9.783 1.00 0.00 O ATOM 799 CB ARG A 73 -4.252 -6.629 9.608 1.00 0.00 C ATOM 800 CG ARG A 73 -4.432 -5.624 10.742 1.00 0.00 C ATOM 801 CD ARG A 73 -5.911 -5.253 10.890 1.00 0.00 C ATOM 802 NE ARG A 73 -6.137 -4.621 12.195 1.00 0.00 N ATOM 803 CZ ARG A 73 -5.910 -3.344 12.504 1.00 0.00 C ATOM 804 NH1 ARG A 73 -5.828 -2.413 11.556 1.00 0.00 N ATOM 805 NH2 ARG A 73 -5.768 -3.014 13.781 1.00 0.00 N ATOM 0 H ARG A 73 -2.442 -5.424 8.424 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.396 -7.204 10.564 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.504 -6.158 8.658 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.942 -7.462 9.744 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.061 -6.047 11.675 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.843 -4.729 10.541 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -6.207 -4.574 10.091 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -6.530 -6.145 10.796 1.00 0.00 H new ATOM 0 HE ARG A 73 -6.503 -5.216 12.938 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.939 -2.672 10.576 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.654 -1.441 11.810 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.833 -3.731 14.503 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.594 -2.043 14.041 1.00 0.00 H new ATOM 819 N LEU A 74 -2.867 -8.734 7.679 1.00 0.00 N ATOM 820 CA LEU A 74 -2.855 -10.028 7.031 1.00 0.00 C ATOM 821 C LEU A 74 -1.540 -10.724 7.290 1.00 0.00 C ATOM 822 O LEU A 74 -1.554 -11.853 7.775 1.00 0.00 O ATOM 823 CB LEU A 74 -3.053 -9.824 5.519 1.00 0.00 C ATOM 824 CG LEU A 74 -4.506 -9.654 5.059 1.00 0.00 C ATOM 825 CD1 LEU A 74 -4.528 -9.048 3.651 1.00 0.00 C ATOM 826 CD2 LEU A 74 -5.229 -11.006 5.018 1.00 0.00 C ATOM 0 H LEU A 74 -2.929 -7.953 7.026 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.659 -10.648 7.429 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.488 -8.944 5.212 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.622 -10.678 4.996 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.013 -8.999 5.767 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.560 -8.927 3.323 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.035 -8.076 3.666 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.004 -9.710 2.962 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.258 -10.859 4.689 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.717 -11.671 4.323 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.227 -11.450 6.013 1.00 0.00 H new ATOM 838 N GLN A 75 -0.424 -10.063 6.997 1.00 0.00 N ATOM 839 CA GLN A 75 0.895 -10.633 7.178 1.00 0.00 C ATOM 840 C GLN A 75 1.089 -11.034 8.630 1.00 0.00 C ATOM 841 O GLN A 75 1.585 -12.121 8.922 1.00 0.00 O ATOM 842 CB GLN A 75 1.946 -9.592 6.777 1.00 0.00 C ATOM 843 CG GLN A 75 3.350 -10.196 6.653 1.00 0.00 C ATOM 844 CD GLN A 75 3.392 -11.372 5.691 1.00 0.00 C ATOM 845 OE1 GLN A 75 3.380 -12.524 6.116 1.00 0.00 O ATOM 846 NE2 GLN A 75 3.421 -11.114 4.396 1.00 0.00 N ATOM 0 H GLN A 75 -0.416 -9.113 6.626 1.00 0.00 H new ATOM 0 HA GLN A 75 1.002 -11.520 6.554 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.662 -9.141 5.826 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.962 -8.792 7.517 1.00 0.00 H new ATOM 0 HG2 GLN A 75 4.044 -9.427 6.314 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.691 -10.522 7.636 1.00 0.00 H new ATOM 0 HE21 GLN A 75 3.430 -10.148 4.069 1.00 0.00 H new ATOM 0 HE22 GLN A 75 3.434 -11.881 3.723 1.00 0.00 H new ATOM 855 N GLU A 76 0.644 -10.173 9.542 1.00 0.00 N ATOM 856 CA GLU A 76 0.743 -10.433 10.960 1.00 0.00 C ATOM 857 C GLU A 76 -0.045 -11.687 11.343 1.00 0.00 C ATOM 858 O GLU A 76 0.439 -12.494 12.148 1.00 0.00 O ATOM 859 CB GLU A 76 0.315 -9.185 11.747 1.00 0.00 C ATOM 860 CG GLU A 76 0.766 -9.240 13.205 1.00 0.00 C ATOM 861 CD GLU A 76 2.287 -9.160 13.329 1.00 0.00 C ATOM 862 OE1 GLU A 76 2.840 -8.046 13.464 1.00 0.00 O ATOM 863 OE2 GLU A 76 2.963 -10.215 13.350 1.00 0.00 O ATOM 0 H GLU A 76 0.207 -9.281 9.311 1.00 0.00 H new ATOM 0 HA GLU A 76 1.780 -10.641 11.223 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.733 -8.297 11.272 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.770 -9.087 11.707 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.312 -8.418 13.758 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.412 -10.164 13.661 1.00 0.00 H new ATOM 870 N SER A 77 -1.205 -11.921 10.723 1.00 0.00 N ATOM 871 CA SER A 77 -1.967 -13.151 10.912 1.00 0.00 C ATOM 872 C SER A 77 -1.536 -14.281 9.960 1.00 0.00 C ATOM 873 O SER A 77 -2.161 -15.344 9.947 1.00 0.00 O ATOM 874 CB SER A 77 -3.452 -12.840 10.911 1.00 0.00 C ATOM 875 OG SER A 77 -3.789 -12.189 12.131 1.00 0.00 O ATOM 0 H SER A 77 -1.639 -11.262 10.077 1.00 0.00 H new ATOM 0 HA SER A 77 -1.735 -13.563 11.894 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.703 -12.203 10.063 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.029 -13.758 10.802 1.00 0.00 H new ATOM 0 HG SER A 77 -4.747 -11.983 12.138 1.00 0.00 H new ATOM 881 N GLY A 78 -0.427 -14.121 9.234 1.00 0.00 N ATOM 882 CA GLY A 78 0.190 -15.170 8.439 1.00 0.00 C ATOM 883 C GLY A 78 -0.643 -15.482 7.207 1.00 0.00 C ATOM 884 O GLY A 78 -0.774 -16.648 6.824 1.00 0.00 O ATOM 0 H GLY A 78 0.074 -13.234 9.186 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.191 -14.861 8.137 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.303 -16.070 9.043 1.00 0.00 H new ATOM 888 N SER A 79 -1.238 -14.451 6.622 1.00 0.00 N ATOM 889 CA SER A 79 -2.022 -14.521 5.407 1.00 0.00 C ATOM 890 C SER A 79 -1.247 -13.748 4.339 1.00 0.00 C ATOM 891 O SER A 79 -0.654 -12.716 4.662 1.00 0.00 O ATOM 892 CB SER A 79 -3.389 -13.877 5.656 1.00 0.00 C ATOM 893 OG SER A 79 -4.058 -14.460 6.762 1.00 0.00 O ATOM 0 H SER A 79 -1.182 -13.506 7.001 1.00 0.00 H new ATOM 0 HA SER A 79 -2.186 -15.550 5.087 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.260 -12.809 5.832 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.006 -13.980 4.764 1.00 0.00 H new ATOM 0 HG SER A 79 -4.925 -14.021 6.889 1.00 0.00 H new ATOM 899 N PRO A 80 -1.244 -14.200 3.075 1.00 0.00 N ATOM 900 CA PRO A 80 -0.527 -13.489 2.039 1.00 0.00 C ATOM 901 C PRO A 80 -1.198 -12.151 1.786 1.00 0.00 C ATOM 902 O PRO A 80 -2.419 -12.009 1.854 1.00 0.00 O ATOM 903 CB PRO A 80 -0.583 -14.365 0.790 1.00 0.00 C ATOM 904 CG PRO A 80 -1.834 -15.212 1.014 1.00 0.00 C ATOM 905 CD PRO A 80 -1.915 -15.367 2.530 1.00 0.00 C ATOM 0 HA PRO A 80 0.507 -13.294 2.324 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -0.659 -13.767 -0.118 1.00 0.00 H new ATOM 0 HB3 PRO A 80 0.309 -14.983 0.691 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -2.723 -14.723 0.616 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -1.754 -16.180 0.519 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -2.951 -15.416 2.865 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -1.430 -16.287 2.857 1.00 0.00 H new ATOM 913 N ILE A 81 -0.382 -11.202 1.359 1.00 0.00 N ATOM 914 CA ILE A 81 -0.822 -9.891 0.913 1.00 0.00 C ATOM 915 C ILE A 81 -0.988 -9.887 -0.613 1.00 0.00 C ATOM 916 O ILE A 81 -0.920 -8.834 -1.240 1.00 0.00 O ATOM 917 CB ILE A 81 0.108 -8.812 1.504 1.00 0.00 C ATOM 918 CG1 ILE A 81 1.564 -8.968 1.036 1.00 0.00 C ATOM 919 CG2 ILE A 81 0.016 -8.876 3.044 1.00 0.00 C ATOM 920 CD1 ILE A 81 2.494 -7.883 1.576 1.00 0.00 C ATOM 0 H ILE A 81 0.629 -11.325 1.312 1.00 0.00 H new ATOM 0 HA ILE A 81 -1.814 -9.642 1.291 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.221 -7.837 1.146 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.936 -9.944 1.349 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.592 -8.951 -0.054 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.668 -8.119 3.479 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.012 -8.692 3.355 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.327 -9.863 3.386 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.505 -8.054 1.207 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.146 -6.906 1.242 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.495 -7.914 2.666 1.00 0.00 H new ATOM 932 N ASP A 82 -1.233 -11.064 -1.211 1.00 0.00 N ATOM 933 CA ASP A 82 -1.605 -11.178 -2.621 1.00 0.00 C ATOM 934 C ASP A 82 -2.942 -10.492 -2.888 1.00 0.00 C ATOM 935 O ASP A 82 -3.810 -10.451 -2.013 1.00 0.00 O ATOM 936 CB ASP A 82 -1.690 -12.650 -3.063 1.00 0.00 C ATOM 937 CG ASP A 82 -1.276 -12.833 -4.526 1.00 0.00 C ATOM 938 OD1 ASP A 82 -1.832 -12.135 -5.399 1.00 0.00 O ATOM 939 OD2 ASP A 82 -0.433 -13.712 -4.824 1.00 0.00 O ATOM 0 H ASP A 82 -1.177 -11.960 -0.727 1.00 0.00 H new ATOM 0 HA ASP A 82 -0.825 -10.684 -3.200 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.048 -13.258 -2.426 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -2.709 -13.012 -2.926 1.00 0.00 H new ATOM 944 N LEU A 83 -3.101 -10.002 -4.116 1.00 0.00 N ATOM 945 CA LEU A 83 -4.162 -9.128 -4.598 1.00 0.00 C ATOM 946 C LEU A 83 -5.541 -9.643 -4.188 1.00 0.00 C ATOM 947 O LEU A 83 -6.271 -8.924 -3.508 1.00 0.00 O ATOM 948 CB LEU A 83 -3.931 -8.893 -6.110 1.00 0.00 C ATOM 949 CG LEU A 83 -5.068 -8.346 -7.004 1.00 0.00 C ATOM 950 CD1 LEU A 83 -5.739 -9.475 -7.765 1.00 0.00 C ATOM 951 CD2 LEU A 83 -6.051 -7.400 -6.314 1.00 0.00 C ATOM 0 H LEU A 83 -2.436 -10.226 -4.857 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.131 -8.146 -4.126 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.090 -8.206 -6.204 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -3.615 -9.844 -6.538 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.588 -7.689 -7.729 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -6.536 -9.070 -8.388 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -5.004 -9.976 -8.395 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.159 -10.191 -7.058 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -6.807 -7.076 -7.029 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -6.534 -7.918 -5.486 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -5.514 -6.531 -5.934 1.00 0.00 H new ATOM 963 N ILE A 84 -5.907 -10.879 -4.533 1.00 0.00 N ATOM 964 CA ILE A 84 -7.213 -11.409 -4.245 1.00 0.00 C ATOM 965 C ILE A 84 -7.433 -11.510 -2.731 1.00 0.00 C ATOM 966 O ILE A 84 -8.519 -11.194 -2.240 1.00 0.00 O ATOM 967 CB ILE A 84 -7.309 -12.774 -4.946 1.00 0.00 C ATOM 968 CG1 ILE A 84 -6.735 -12.828 -6.387 1.00 0.00 C ATOM 969 CG2 ILE A 84 -8.793 -13.159 -5.027 1.00 0.00 C ATOM 970 CD1 ILE A 84 -5.219 -12.825 -6.644 1.00 0.00 C ATOM 0 H ILE A 84 -5.294 -11.532 -5.021 1.00 0.00 H new ATOM 0 HA ILE A 84 -8.000 -10.753 -4.616 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.703 -13.457 -4.350 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -7.135 -13.728 -6.855 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.150 -11.977 -6.927 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -8.892 -14.126 -5.521 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.208 -13.221 -4.021 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -9.334 -12.404 -5.597 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -5.032 -12.867 -7.717 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.782 -11.914 -6.235 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.767 -13.692 -6.162 1.00 0.00 H new ATOM 982 N THR A 85 -6.397 -11.909 -1.988 1.00 0.00 N ATOM 983 CA THR A 85 -6.440 -12.045 -0.545 1.00 0.00 C ATOM 984 C THR A 85 -6.795 -10.707 0.085 1.00 0.00 C ATOM 985 O THR A 85 -7.755 -10.619 0.851 1.00 0.00 O ATOM 986 CB THR A 85 -5.111 -12.581 0.022 1.00 0.00 C ATOM 987 OG1 THR A 85 -4.503 -13.497 -0.871 1.00 0.00 O ATOM 988 CG2 THR A 85 -5.355 -13.259 1.376 1.00 0.00 C ATOM 0 H THR A 85 -5.490 -12.149 -2.389 1.00 0.00 H new ATOM 0 HA THR A 85 -7.209 -12.776 -0.296 1.00 0.00 H new ATOM 0 HB THR A 85 -4.435 -11.736 0.154 1.00 0.00 H new ATOM 0 HG1 THR A 85 -3.535 -13.346 -0.885 1.00 0.00 H new ATOM 0 HG21 THR A 85 -4.411 -13.635 1.770 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.777 -12.536 2.074 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.051 -14.088 1.248 1.00 0.00 H new ATOM 996 N LEU A 86 -6.023 -9.685 -0.276 1.00 0.00 N ATOM 997 CA LEU A 86 -6.132 -8.312 0.179 1.00 0.00 C ATOM 998 C LEU A 86 -7.509 -7.762 -0.104 1.00 0.00 C ATOM 999 O LEU A 86 -8.139 -7.210 0.790 1.00 0.00 O ATOM 1000 CB LEU A 86 -5.089 -7.472 -0.570 1.00 0.00 C ATOM 1001 CG LEU A 86 -5.168 -5.960 -0.289 1.00 0.00 C ATOM 1002 CD1 LEU A 86 -4.774 -5.618 1.152 1.00 0.00 C ATOM 1003 CD2 LEU A 86 -4.272 -5.233 -1.291 1.00 0.00 C ATOM 0 H LEU A 86 -5.256 -9.808 -0.937 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.961 -8.274 1.255 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.094 -7.827 -0.302 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.209 -7.637 -1.641 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.201 -5.633 -0.407 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.845 -4.541 1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.446 -6.126 1.843 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.750 -5.943 1.336 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.316 -4.160 -1.106 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.245 -5.579 -1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.616 -5.441 -2.304 1.00 0.00 H new ATOM 1015 N ALA A 87 -7.941 -7.879 -1.353 1.00 0.00 N ATOM 1016 CA ALA A 87 -9.200 -7.315 -1.800 1.00 0.00 C ATOM 1017 C ALA A 87 -10.341 -7.866 -0.950 1.00 0.00 C ATOM 1018 O ALA A 87 -11.101 -7.104 -0.355 1.00 0.00 O ATOM 1019 CB ALA A 87 -9.407 -7.623 -3.280 1.00 0.00 C ATOM 0 H ALA A 87 -7.424 -8.369 -2.083 1.00 0.00 H new ATOM 0 HA ALA A 87 -9.183 -6.232 -1.681 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -10.354 -7.197 -3.611 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -8.592 -7.189 -3.859 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -9.423 -8.703 -3.428 1.00 0.00 H new ATOM 1025 N GLU A 88 -10.436 -9.193 -0.864 1.00 0.00 N ATOM 1026 CA GLU A 88 -11.480 -9.857 -0.093 1.00 0.00 C ATOM 1027 C GLU A 88 -11.338 -9.587 1.417 1.00 0.00 C ATOM 1028 O GLU A 88 -12.333 -9.586 2.145 1.00 0.00 O ATOM 1029 CB GLU A 88 -11.482 -11.358 -0.415 1.00 0.00 C ATOM 1030 CG GLU A 88 -11.870 -11.664 -1.879 1.00 0.00 C ATOM 1031 CD GLU A 88 -11.890 -13.164 -2.205 1.00 0.00 C ATOM 1032 OE1 GLU A 88 -12.020 -13.995 -1.273 1.00 0.00 O ATOM 1033 OE2 GLU A 88 -11.897 -13.539 -3.403 1.00 0.00 O ATOM 0 H GLU A 88 -9.792 -9.834 -1.327 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.446 -9.442 -0.382 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.492 -11.768 -0.215 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -12.178 -11.866 0.253 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.855 -11.243 -2.081 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.167 -11.165 -2.545 1.00 0.00 H new ATOM 1040 N SER A 89 -10.126 -9.314 1.908 1.00 0.00 N ATOM 1041 CA SER A 89 -9.892 -8.954 3.295 1.00 0.00 C ATOM 1042 C SER A 89 -10.399 -7.534 3.570 1.00 0.00 C ATOM 1043 O SER A 89 -11.130 -7.305 4.534 1.00 0.00 O ATOM 1044 CB SER A 89 -8.403 -9.141 3.590 1.00 0.00 C ATOM 1045 OG SER A 89 -8.138 -9.082 4.972 1.00 0.00 O ATOM 0 H SER A 89 -9.277 -9.339 1.343 1.00 0.00 H new ATOM 0 HA SER A 89 -10.451 -9.600 3.972 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.071 -10.101 3.196 1.00 0.00 H new ATOM 0 HB3 SER A 89 -7.830 -8.370 3.076 1.00 0.00 H new ATOM 0 HG SER A 89 -7.322 -8.561 5.127 1.00 0.00 H new ATOM 1051 N LEU A 90 -10.092 -6.582 2.689 1.00 0.00 N ATOM 1052 CA LEU A 90 -10.634 -5.230 2.728 1.00 0.00 C ATOM 1053 C LEU A 90 -12.157 -5.257 2.606 1.00 0.00 C ATOM 1054 O LEU A 90 -12.815 -4.386 3.168 1.00 0.00 O ATOM 1055 CB LEU A 90 -10.033 -4.369 1.606 1.00 0.00 C ATOM 1056 CG LEU A 90 -8.695 -3.692 1.957 1.00 0.00 C ATOM 1057 CD1 LEU A 90 -8.035 -3.195 0.670 1.00 0.00 C ATOM 1058 CD2 LEU A 90 -8.861 -2.487 2.910 1.00 0.00 C ATOM 0 H LEU A 90 -9.447 -6.735 1.914 1.00 0.00 H new ATOM 0 HA LEU A 90 -10.366 -4.788 3.688 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.887 -4.995 0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -10.754 -3.598 1.333 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.084 -4.438 2.465 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.087 -2.714 0.910 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.856 -4.039 0.004 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.692 -2.477 0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.884 -2.052 3.120 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.498 -1.737 2.441 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.318 -2.820 3.842 1.00 0.00 H new ATOM 1070 N GLU A 91 -12.752 -6.222 1.906 1.00 0.00 N ATOM 1071 CA GLU A 91 -14.201 -6.410 1.929 1.00 0.00 C ATOM 1072 C GLU A 91 -14.711 -6.842 3.300 1.00 0.00 C ATOM 1073 O GLU A 91 -15.759 -6.340 3.710 1.00 0.00 O ATOM 1074 CB GLU A 91 -14.681 -7.426 0.890 1.00 0.00 C ATOM 1075 CG GLU A 91 -14.614 -6.892 -0.534 1.00 0.00 C ATOM 1076 CD GLU A 91 -15.242 -7.888 -1.502 1.00 0.00 C ATOM 1077 OE1 GLU A 91 -14.609 -8.915 -1.831 1.00 0.00 O ATOM 1078 OE2 GLU A 91 -16.402 -7.663 -1.920 1.00 0.00 O ATOM 0 H GLU A 91 -12.252 -6.886 1.315 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.612 -5.431 1.685 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -14.074 -8.328 0.964 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -15.708 -7.713 1.117 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -15.134 -5.936 -0.596 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -13.576 -6.709 -0.813 1.00 0.00 H new ATOM 1085 N ARG A 92 -14.014 -7.726 4.025 1.00 0.00 N ATOM 1086 CA ARG A 92 -14.366 -8.014 5.416 1.00 0.00 C ATOM 1087 C ARG A 92 -14.226 -6.766 6.285 1.00 0.00 C ATOM 1088 O ARG A 92 -15.062 -6.559 7.169 1.00 0.00 O ATOM 1089 CB ARG A 92 -13.553 -9.192 5.975 1.00 0.00 C ATOM 1090 CG ARG A 92 -14.001 -10.517 5.340 1.00 0.00 C ATOM 1091 CD ARG A 92 -13.325 -11.725 6.004 1.00 0.00 C ATOM 1092 NE ARG A 92 -11.949 -11.921 5.522 1.00 0.00 N ATOM 1093 CZ ARG A 92 -11.576 -12.510 4.379 1.00 0.00 C ATOM 1094 NH1 ARG A 92 -12.468 -13.052 3.557 1.00 0.00 N ATOM 1095 NH2 ARG A 92 -10.285 -12.546 4.076 1.00 0.00 N ATOM 0 H ARG A 92 -13.211 -8.248 3.674 1.00 0.00 H new ATOM 0 HA ARG A 92 -15.413 -8.315 5.437 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.492 -9.032 5.781 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -13.675 -9.243 7.057 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -15.083 -10.614 5.426 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -13.765 -10.508 4.276 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -13.314 -11.585 7.085 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -13.910 -12.623 5.805 1.00 0.00 H new ATOM 0 HE ARG A 92 -11.201 -11.572 6.121 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -13.460 -13.025 3.791 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -12.161 -13.495 2.691 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -9.601 -12.130 4.708 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -9.976 -12.989 3.211 1.00 0.00 H new ATOM 1109 N GLN A 93 -13.268 -5.885 5.992 1.00 0.00 N ATOM 1110 CA GLN A 93 -13.164 -4.592 6.664 1.00 0.00 C ATOM 1111 C GLN A 93 -14.261 -3.629 6.184 1.00 0.00 C ATOM 1112 O GLN A 93 -14.496 -2.623 6.847 1.00 0.00 O ATOM 1113 CB GLN A 93 -11.790 -3.942 6.402 1.00 0.00 C ATOM 1114 CG GLN A 93 -10.566 -4.738 6.881 1.00 0.00 C ATOM 1115 CD GLN A 93 -10.281 -4.628 8.379 1.00 0.00 C ATOM 1116 OE1 GLN A 93 -11.137 -4.278 9.189 1.00 0.00 O ATOM 1117 NE2 GLN A 93 -9.062 -4.906 8.809 1.00 0.00 N ATOM 0 H GLN A 93 -12.548 -6.047 5.288 1.00 0.00 H new ATOM 0 HA GLN A 93 -13.284 -4.777 7.732 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.690 -3.770 5.330 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -11.775 -2.965 6.884 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -10.711 -5.788 6.628 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -9.689 -4.396 6.332 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -8.342 -5.198 8.148 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -8.842 -4.829 9.802 1.00 0.00 H new ATOM 1126 N GLY A 94 -14.946 -3.891 5.062 1.00 0.00 N ATOM 1127 CA GLY A 94 -15.914 -2.969 4.476 1.00 0.00 C ATOM 1128 C GLY A 94 -15.239 -1.736 3.865 1.00 0.00 C ATOM 1129 O GLY A 94 -15.872 -0.685 3.741 1.00 0.00 O ATOM 0 H GLY A 94 -14.839 -4.758 4.535 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -16.487 -3.486 3.707 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -16.622 -2.652 5.242 1.00 0.00 H new ATOM 1133 N GLN A 95 -13.957 -1.847 3.504 1.00 0.00 N ATOM 1134 CA GLN A 95 -13.082 -0.745 3.110 1.00 0.00 C ATOM 1135 C GLN A 95 -12.548 -0.897 1.683 1.00 0.00 C ATOM 1136 O GLN A 95 -11.846 0.001 1.226 1.00 0.00 O ATOM 1137 CB GLN A 95 -11.935 -0.591 4.125 1.00 0.00 C ATOM 1138 CG GLN A 95 -12.452 -0.095 5.481 1.00 0.00 C ATOM 1139 CD GLN A 95 -11.332 0.233 6.465 1.00 0.00 C ATOM 1140 OE1 GLN A 95 -10.351 -0.494 6.605 1.00 0.00 O ATOM 1141 NE2 GLN A 95 -11.463 1.326 7.192 1.00 0.00 N ATOM 0 H GLN A 95 -13.482 -2.749 3.478 1.00 0.00 H new ATOM 0 HA GLN A 95 -13.681 0.166 3.114 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -11.430 -1.548 4.254 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -11.195 0.110 3.737 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -13.064 0.794 5.327 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -13.099 -0.856 5.917 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -12.280 1.925 7.070 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -10.747 1.573 7.876 1.00 0.00 H new ATOM 1150 N LEU A 96 -12.870 -1.982 0.963 1.00 0.00 N ATOM 1151 CA LEU A 96 -12.370 -2.206 -0.397 1.00 0.00 C ATOM 1152 C LEU A 96 -12.674 -1.009 -1.295 1.00 0.00 C ATOM 1153 O LEU A 96 -11.774 -0.471 -1.940 1.00 0.00 O ATOM 1154 CB LEU A 96 -12.907 -3.516 -0.992 1.00 0.00 C ATOM 1155 CG LEU A 96 -12.408 -3.731 -2.438 1.00 0.00 C ATOM 1156 CD1 LEU A 96 -10.882 -3.709 -2.581 1.00 0.00 C ATOM 1157 CD2 LEU A 96 -12.894 -5.069 -2.970 1.00 0.00 C ATOM 0 H LEU A 96 -13.481 -2.723 1.307 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.286 -2.308 -0.339 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -12.593 -4.354 -0.370 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -13.997 -3.501 -0.981 1.00 0.00 H new ATOM 0 HG LEU A 96 -12.814 -2.894 -3.006 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -10.612 -3.867 -3.625 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -10.499 -2.744 -2.249 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -10.448 -4.501 -1.970 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -12.535 -5.207 -3.990 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -12.512 -5.872 -2.339 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -13.984 -5.089 -2.963 1.00 0.00 H new ATOM 1169 N ASP A 97 -13.925 -0.556 -1.337 1.00 0.00 N ATOM 1170 CA ASP A 97 -14.248 0.555 -2.223 1.00 0.00 C ATOM 1171 C ASP A 97 -13.589 1.858 -1.749 1.00 0.00 C ATOM 1172 O ASP A 97 -13.199 2.689 -2.568 1.00 0.00 O ATOM 1173 CB ASP A 97 -15.757 0.693 -2.392 1.00 0.00 C ATOM 1174 CG ASP A 97 -16.040 1.300 -3.761 1.00 0.00 C ATOM 1175 OD1 ASP A 97 -16.068 2.543 -3.888 1.00 0.00 O ATOM 1176 OD2 ASP A 97 -16.200 0.508 -4.721 1.00 0.00 O ATOM 0 H ASP A 97 -14.703 -0.925 -0.790 1.00 0.00 H new ATOM 0 HA ASP A 97 -13.834 0.339 -3.208 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -16.238 -0.281 -2.303 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -16.169 1.325 -1.605 1.00 0.00 H new ATOM 1181 N SER A 98 -13.355 2.006 -0.440 1.00 0.00 N ATOM 1182 CA SER A 98 -12.611 3.116 0.147 1.00 0.00 C ATOM 1183 C SER A 98 -11.116 3.098 -0.213 1.00 0.00 C ATOM 1184 O SER A 98 -10.443 4.083 0.113 1.00 0.00 O ATOM 1185 CB SER A 98 -12.803 3.151 1.674 1.00 0.00 C ATOM 1186 OG SER A 98 -12.301 4.369 2.199 1.00 0.00 O ATOM 0 H SER A 98 -13.688 1.337 0.255 1.00 0.00 H new ATOM 0 HA SER A 98 -13.022 4.028 -0.286 1.00 0.00 H new ATOM 0 HB2 SER A 98 -13.860 3.049 1.918 1.00 0.00 H new ATOM 0 HB3 SER A 98 -12.287 2.308 2.133 1.00 0.00 H new ATOM 0 HG SER A 98 -11.507 4.641 1.693 1.00 0.00 H new ATOM 1192 N VAL A 99 -10.570 2.062 -0.866 1.00 0.00 N ATOM 1193 CA VAL A 99 -9.214 2.121 -1.422 1.00 0.00 C ATOM 1194 C VAL A 99 -9.234 2.367 -2.934 1.00 0.00 C ATOM 1195 O VAL A 99 -8.172 2.493 -3.542 1.00 0.00 O ATOM 1196 CB VAL A 99 -8.322 0.937 -0.992 1.00 0.00 C ATOM 1197 CG1 VAL A 99 -8.467 0.658 0.508 1.00 0.00 C ATOM 1198 CG2 VAL A 99 -8.510 -0.379 -1.756 1.00 0.00 C ATOM 0 H VAL A 99 -11.048 1.174 -1.021 1.00 0.00 H new ATOM 0 HA VAL A 99 -8.730 2.991 -0.979 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.320 1.281 -1.246 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.828 -0.181 0.786 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -8.171 1.542 1.073 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -9.505 0.414 0.734 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -7.827 -1.130 -1.360 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -9.537 -0.724 -1.638 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -8.300 -0.219 -2.814 1.00 0.00 H new ATOM 1208 N GLY A 100 -10.417 2.465 -3.545 1.00 0.00 N ATOM 1209 CA GLY A 100 -10.608 2.580 -4.984 1.00 0.00 C ATOM 1210 C GLY A 100 -11.223 1.323 -5.592 1.00 0.00 C ATOM 1211 O GLY A 100 -11.443 1.281 -6.804 1.00 0.00 O ATOM 0 H GLY A 100 -11.297 2.466 -3.029 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -11.251 3.434 -5.195 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.648 2.778 -5.460 1.00 0.00 H new ATOM 1215 N GLY A 101 -11.543 0.314 -4.782 1.00 0.00 N ATOM 1216 CA GLY A 101 -12.188 -0.894 -5.252 1.00 0.00 C ATOM 1217 C GLY A 101 -11.186 -1.884 -5.834 1.00 0.00 C ATOM 1218 O GLY A 101 -9.981 -1.617 -5.910 1.00 0.00 O ATOM 0 H GLY A 101 -11.358 0.320 -3.779 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -12.725 -1.363 -4.428 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -12.928 -0.639 -6.010 1.00 0.00 H new ATOM 1222 N PHE A 102 -11.694 -3.042 -6.264 1.00 0.00 N ATOM 1223 CA PHE A 102 -10.875 -4.094 -6.845 1.00 0.00 C ATOM 1224 C PHE A 102 -10.142 -3.567 -8.074 1.00 0.00 C ATOM 1225 O PHE A 102 -8.971 -3.878 -8.246 1.00 0.00 O ATOM 1226 CB PHE A 102 -11.707 -5.340 -7.195 1.00 0.00 C ATOM 1227 CG PHE A 102 -10.844 -6.584 -7.345 1.00 0.00 C ATOM 1228 CD1 PHE A 102 -9.967 -6.720 -8.437 1.00 0.00 C ATOM 1229 CD2 PHE A 102 -10.845 -7.571 -6.343 1.00 0.00 C ATOM 1230 CE1 PHE A 102 -9.028 -7.763 -8.465 1.00 0.00 C ATOM 1231 CE2 PHE A 102 -9.937 -8.643 -6.394 1.00 0.00 C ATOM 1232 CZ PHE A 102 -8.997 -8.716 -7.434 1.00 0.00 C ATOM 0 H PHE A 102 -12.687 -3.271 -6.216 1.00 0.00 H new ATOM 0 HA PHE A 102 -10.141 -4.399 -6.099 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -12.451 -5.508 -6.417 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -12.251 -5.163 -8.123 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -10.017 -6.019 -9.257 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -11.550 -7.505 -5.527 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -8.326 -7.833 -9.283 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -9.963 -9.410 -5.634 1.00 0.00 H new ATOM 0 HZ PHE A 102 -8.255 -9.500 -7.441 1.00 0.00 H new ATOM 1242 N ALA A 103 -10.794 -2.764 -8.922 1.00 0.00 N ATOM 1243 CA ALA A 103 -10.175 -2.248 -10.138 1.00 0.00 C ATOM 1244 C ALA A 103 -8.872 -1.502 -9.843 1.00 0.00 C ATOM 1245 O ALA A 103 -7.882 -1.707 -10.543 1.00 0.00 O ATOM 1246 CB ALA A 103 -11.166 -1.348 -10.882 1.00 0.00 C ATOM 0 H ALA A 103 -11.757 -2.458 -8.783 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.917 -3.095 -10.773 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.699 -0.965 -11.789 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -12.053 -1.924 -11.146 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -11.452 -0.514 -10.241 1.00 0.00 H new ATOM 1252 N TYR A 104 -8.850 -0.684 -8.787 1.00 0.00 N ATOM 1253 CA TYR A 104 -7.642 0.014 -8.382 1.00 0.00 C ATOM 1254 C TYR A 104 -6.583 -0.992 -7.946 1.00 0.00 C ATOM 1255 O TYR A 104 -5.461 -0.935 -8.441 1.00 0.00 O ATOM 1256 CB TYR A 104 -7.980 1.024 -7.278 1.00 0.00 C ATOM 1257 CG TYR A 104 -6.869 2.000 -6.939 1.00 0.00 C ATOM 1258 CD1 TYR A 104 -6.649 3.114 -7.768 1.00 0.00 C ATOM 1259 CD2 TYR A 104 -6.102 1.839 -5.769 1.00 0.00 C ATOM 1260 CE1 TYR A 104 -5.690 4.080 -7.426 1.00 0.00 C ATOM 1261 CE2 TYR A 104 -5.137 2.801 -5.420 1.00 0.00 C ATOM 1262 CZ TYR A 104 -4.934 3.930 -6.244 1.00 0.00 C ATOM 1263 OH TYR A 104 -4.034 4.874 -5.875 1.00 0.00 O ATOM 0 H TYR A 104 -9.662 -0.493 -8.200 1.00 0.00 H new ATOM 0 HA TYR A 104 -7.229 0.571 -9.223 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -8.860 1.590 -7.582 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -8.250 0.476 -6.375 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -7.223 3.227 -8.676 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -6.255 0.975 -5.139 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -5.531 4.936 -8.066 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -4.551 2.676 -4.521 1.00 0.00 H new ATOM 0 HH TYR A 104 -3.495 4.538 -5.129 1.00 0.00 H new ATOM 1273 N LEU A 105 -6.927 -1.951 -7.078 1.00 0.00 N ATOM 1274 CA LEU A 105 -5.979 -2.977 -6.641 1.00 0.00 C ATOM 1275 C LEU A 105 -5.447 -3.804 -7.817 1.00 0.00 C ATOM 1276 O LEU A 105 -4.271 -4.166 -7.825 1.00 0.00 O ATOM 1277 CB LEU A 105 -6.605 -3.924 -5.607 1.00 0.00 C ATOM 1278 CG LEU A 105 -7.048 -3.293 -4.280 1.00 0.00 C ATOM 1279 CD1 LEU A 105 -7.584 -4.394 -3.362 1.00 0.00 C ATOM 1280 CD2 LEU A 105 -5.891 -2.576 -3.582 1.00 0.00 C ATOM 0 H LEU A 105 -7.856 -2.036 -6.665 1.00 0.00 H new ATOM 0 HA LEU A 105 -5.148 -2.443 -6.181 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.472 -4.402 -6.063 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.885 -4.712 -5.386 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.822 -2.556 -4.493 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -7.902 -3.956 -2.416 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -8.433 -4.884 -3.839 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.799 -5.128 -3.177 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.243 -2.142 -2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.094 -3.289 -3.374 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.510 -1.785 -4.228 1.00 0.00 H new ATOM 1292 N ALA A 106 -6.285 -4.096 -8.815 1.00 0.00 N ATOM 1293 CA ALA A 106 -5.892 -4.855 -9.987 1.00 0.00 C ATOM 1294 C ALA A 106 -4.859 -4.083 -10.801 1.00 0.00 C ATOM 1295 O ALA A 106 -3.957 -4.700 -11.368 1.00 0.00 O ATOM 1296 CB ALA A 106 -7.119 -5.166 -10.848 1.00 0.00 C ATOM 0 H ALA A 106 -7.263 -3.806 -8.825 1.00 0.00 H new ATOM 0 HA ALA A 106 -5.444 -5.793 -9.660 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -6.813 -5.736 -11.725 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -7.833 -5.750 -10.267 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.586 -4.234 -11.166 1.00 0.00 H new ATOM 1302 N GLU A 107 -4.993 -2.759 -10.870 1.00 0.00 N ATOM 1303 CA GLU A 107 -4.033 -1.899 -11.541 1.00 0.00 C ATOM 1304 C GLU A 107 -2.749 -1.814 -10.714 1.00 0.00 C ATOM 1305 O GLU A 107 -1.671 -2.020 -11.270 1.00 0.00 O ATOM 1306 CB GLU A 107 -4.698 -0.538 -11.821 1.00 0.00 C ATOM 1307 CG GLU A 107 -3.800 0.438 -12.589 1.00 0.00 C ATOM 1308 CD GLU A 107 -4.607 1.595 -13.187 1.00 0.00 C ATOM 1309 OE1 GLU A 107 -4.999 2.536 -12.454 1.00 0.00 O ATOM 1310 OE2 GLU A 107 -4.804 1.603 -14.430 1.00 0.00 O ATOM 0 H GLU A 107 -5.778 -2.255 -10.457 1.00 0.00 H new ATOM 0 HA GLU A 107 -3.735 -2.308 -12.507 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -5.613 -0.701 -12.390 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -4.988 -0.083 -10.874 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -3.036 0.834 -11.920 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -3.281 -0.094 -13.386 1.00 0.00 H new ATOM 1317 N LEU A 108 -2.850 -1.607 -9.393 1.00 0.00 N ATOM 1318 CA LEU A 108 -1.699 -1.582 -8.489 1.00 0.00 C ATOM 1319 C LEU A 108 -0.843 -2.823 -8.692 1.00 0.00 C ATOM 1320 O LEU A 108 0.351 -2.717 -8.962 1.00 0.00 O ATOM 1321 CB LEU A 108 -2.105 -1.527 -7.004 1.00 0.00 C ATOM 1322 CG LEU A 108 -2.781 -0.254 -6.479 1.00 0.00 C ATOM 1323 CD1 LEU A 108 -2.940 -0.372 -4.961 1.00 0.00 C ATOM 1324 CD2 LEU A 108 -1.981 1.003 -6.781 1.00 0.00 C ATOM 0 H LEU A 108 -3.741 -1.451 -8.922 1.00 0.00 H new ATOM 0 HA LEU A 108 -1.145 -0.675 -8.731 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.778 -2.363 -6.813 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.208 -1.696 -6.408 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.744 -0.165 -6.982 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.420 0.527 -4.574 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.555 -1.241 -4.726 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.959 -0.486 -4.500 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.507 1.872 -6.387 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.999 0.930 -6.314 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -1.863 1.109 -7.859 1.00 0.00 H new ATOM 1336 N SER A 109 -1.461 -4.001 -8.581 1.00 0.00 N ATOM 1337 CA SER A 109 -0.786 -5.286 -8.524 1.00 0.00 C ATOM 1338 C SER A 109 0.003 -5.578 -9.796 1.00 0.00 C ATOM 1339 O SER A 109 0.791 -6.523 -9.778 1.00 0.00 O ATOM 1340 CB SER A 109 -1.817 -6.390 -8.256 1.00 0.00 C ATOM 1341 OG SER A 109 -1.185 -7.645 -8.060 1.00 0.00 O ATOM 0 H SER A 109 -2.476 -4.082 -8.527 1.00 0.00 H new ATOM 0 HA SER A 109 -0.063 -5.255 -7.709 1.00 0.00 H new ATOM 0 HB2 SER A 109 -2.406 -6.135 -7.375 1.00 0.00 H new ATOM 0 HB3 SER A 109 -2.510 -6.456 -9.095 1.00 0.00 H new ATOM 0 HG SER A 109 -0.301 -7.635 -8.482 1.00 0.00 H new ATOM 1347 N LYS A 110 -0.202 -4.831 -10.888 1.00 0.00 N ATOM 1348 CA LYS A 110 0.573 -5.021 -12.113 1.00 0.00 C ATOM 1349 C LYS A 110 1.189 -3.719 -12.627 1.00 0.00 C ATOM 1350 O LYS A 110 1.757 -3.732 -13.720 1.00 0.00 O ATOM 1351 CB LYS A 110 -0.245 -5.784 -13.173 1.00 0.00 C ATOM 1352 CG LYS A 110 -0.564 -7.239 -12.768 1.00 0.00 C ATOM 1353 CD LYS A 110 -1.919 -7.403 -12.060 1.00 0.00 C ATOM 1354 CE LYS A 110 -3.014 -7.625 -13.106 1.00 0.00 C ATOM 1355 NZ LYS A 110 -4.343 -7.167 -12.670 1.00 0.00 N ATOM 0 H LYS A 110 -0.900 -4.089 -10.945 1.00 0.00 H new ATOM 0 HA LYS A 110 1.428 -5.653 -11.871 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -1.179 -5.252 -13.354 1.00 0.00 H new ATOM 0 HB3 LYS A 110 0.306 -5.789 -14.113 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -0.552 -7.865 -13.660 1.00 0.00 H new ATOM 0 HG3 LYS A 110 0.225 -7.605 -12.111 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -1.882 -8.247 -11.371 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -2.142 -6.516 -11.467 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -2.741 -7.103 -14.023 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -3.065 -8.687 -13.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -4.957 -7.042 -13.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -4.762 -7.874 -12.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -4.251 -6.261 -12.169 1.00 0.00 H new ATOM 1369 N ASN A 111 1.186 -2.622 -11.858 1.00 0.00 N ATOM 1370 CA ASN A 111 1.835 -1.373 -12.292 1.00 0.00 C ATOM 1371 C ASN A 111 3.328 -1.334 -12.016 1.00 0.00 C ATOM 1372 O ASN A 111 4.011 -0.353 -12.303 1.00 0.00 O ATOM 1373 CB ASN A 111 1.172 -0.121 -11.679 1.00 0.00 C ATOM 1374 CG ASN A 111 1.510 0.146 -10.205 1.00 0.00 C ATOM 1375 OD1 ASN A 111 2.503 -0.305 -9.642 1.00 0.00 O ATOM 1376 ND2 ASN A 111 0.706 0.933 -9.526 1.00 0.00 N ATOM 0 H ASN A 111 0.746 -2.571 -10.939 1.00 0.00 H new ATOM 0 HA ASN A 111 1.695 -1.359 -13.373 1.00 0.00 H new ATOM 0 HB2 ASN A 111 1.466 0.749 -12.265 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.091 -0.219 -11.775 1.00 0.00 H new ATOM 0 HD21 ASN A 111 0.913 1.157 -8.553 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -0.126 1.320 -9.972 1.00 0.00 H new ATOM 1383 N THR A 112 3.808 -2.407 -11.428 1.00 0.00 N ATOM 1384 CA THR A 112 5.132 -2.540 -10.864 1.00 0.00 C ATOM 1385 C THR A 112 5.944 -3.460 -11.777 1.00 0.00 C ATOM 1386 O THR A 112 5.414 -4.489 -12.217 1.00 0.00 O ATOM 1387 CB THR A 112 5.020 -3.098 -9.437 1.00 0.00 C ATOM 1388 OG1 THR A 112 4.130 -2.315 -8.668 1.00 0.00 O ATOM 1389 CG2 THR A 112 6.367 -3.091 -8.711 1.00 0.00 C ATOM 0 H THR A 112 3.254 -3.257 -11.325 1.00 0.00 H new ATOM 0 HA THR A 112 5.638 -1.577 -10.800 1.00 0.00 H new ATOM 0 HB THR A 112 4.661 -4.122 -9.537 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.720 -1.631 -9.238 1.00 0.00 H new ATOM 0 HG21 THR A 112 6.241 -3.494 -7.706 1.00 0.00 H new ATOM 0 HG22 THR A 112 7.080 -3.705 -9.261 1.00 0.00 H new ATOM 0 HG23 THR A 112 6.741 -2.069 -8.648 1.00 0.00 H new ATOM 1397 N PRO A 113 7.215 -3.128 -12.055 1.00 0.00 N ATOM 1398 CA PRO A 113 8.124 -3.997 -12.784 1.00 0.00 C ATOM 1399 C PRO A 113 8.564 -5.153 -11.878 1.00 0.00 C ATOM 1400 O PRO A 113 9.660 -5.124 -11.317 1.00 0.00 O ATOM 1401 CB PRO A 113 9.274 -3.078 -13.204 1.00 0.00 C ATOM 1402 CG PRO A 113 9.338 -2.035 -12.094 1.00 0.00 C ATOM 1403 CD PRO A 113 7.878 -1.878 -11.700 1.00 0.00 C ATOM 0 HA PRO A 113 7.682 -4.472 -13.660 1.00 0.00 H new ATOM 0 HB2 PRO A 113 10.212 -3.627 -13.291 1.00 0.00 H new ATOM 0 HB3 PRO A 113 9.083 -2.618 -14.173 1.00 0.00 H new ATOM 0 HG2 PRO A 113 9.950 -2.371 -11.257 1.00 0.00 H new ATOM 0 HG3 PRO A 113 9.766 -1.096 -12.445 1.00 0.00 H new ATOM 0 HD2 PRO A 113 7.784 -1.679 -10.633 1.00 0.00 H new ATOM 0 HD3 PRO A 113 7.424 -1.036 -12.223 1.00 0.00 H new ATOM 1411 N SER A 114 7.699 -6.153 -11.710 1.00 0.00 N ATOM 1412 CA SER A 114 7.858 -7.304 -10.826 1.00 0.00 C ATOM 1413 C SER A 114 8.330 -6.885 -9.424 1.00 0.00 C ATOM 1414 O SER A 114 7.510 -6.463 -8.604 1.00 0.00 O ATOM 1415 CB SER A 114 8.746 -8.358 -11.503 1.00 0.00 C ATOM 1416 OG SER A 114 8.264 -8.642 -12.803 1.00 0.00 O ATOM 0 H SER A 114 6.816 -6.181 -12.219 1.00 0.00 H new ATOM 0 HA SER A 114 6.888 -7.772 -10.658 1.00 0.00 H new ATOM 0 HB2 SER A 114 9.773 -7.997 -11.559 1.00 0.00 H new ATOM 0 HB3 SER A 114 8.761 -9.270 -10.906 1.00 0.00 H new ATOM 0 HG SER A 114 8.839 -9.314 -13.226 1.00 0.00 H new ATOM 1422 N ALA A 115 9.637 -6.939 -9.159 1.00 0.00 N ATOM 1423 CA ALA A 115 10.253 -6.540 -7.906 1.00 0.00 C ATOM 1424 C ALA A 115 11.554 -5.770 -8.154 1.00 0.00 C ATOM 1425 O ALA A 115 12.452 -5.820 -7.310 1.00 0.00 O ATOM 1426 CB ALA A 115 10.471 -7.797 -7.057 1.00 0.00 C ATOM 0 H ALA A 115 10.316 -7.276 -9.842 1.00 0.00 H new ATOM 0 HA ALA A 115 9.599 -5.857 -7.363 1.00 0.00 H new ATOM 0 HB1 ALA A 115 10.934 -7.520 -6.110 1.00 0.00 H new ATOM 0 HB2 ALA A 115 9.512 -8.278 -6.866 1.00 0.00 H new ATOM 0 HB3 ALA A 115 11.123 -8.488 -7.591 1.00 0.00 H new ATOM 1432 N ALA A 116 11.686 -5.101 -9.306 1.00 0.00 N ATOM 1433 CA ALA A 116 12.919 -4.507 -9.816 1.00 0.00 C ATOM 1434 C ALA A 116 13.721 -3.777 -8.741 1.00 0.00 C ATOM 1435 O ALA A 116 14.871 -4.145 -8.505 1.00 0.00 O ATOM 1436 CB ALA A 116 12.615 -3.588 -11.005 1.00 0.00 C ATOM 0 H ALA A 116 10.896 -4.955 -9.935 1.00 0.00 H new ATOM 0 HA ALA A 116 13.552 -5.327 -10.156 1.00 0.00 H new ATOM 0 HB1 ALA A 116 13.543 -3.152 -11.375 1.00 0.00 H new ATOM 0 HB2 ALA A 116 12.143 -4.166 -11.800 1.00 0.00 H new ATOM 0 HB3 ALA A 116 11.942 -2.792 -10.687 1.00 0.00 H new ATOM 1442 N ASN A 117 13.136 -2.754 -8.105 1.00 0.00 N ATOM 1443 CA ASN A 117 13.775 -1.966 -7.050 1.00 0.00 C ATOM 1444 C ASN A 117 12.724 -1.562 -6.003 1.00 0.00 C ATOM 1445 O ASN A 117 12.612 -0.384 -5.667 1.00 0.00 O ATOM 1446 CB ASN A 117 14.494 -0.718 -7.619 1.00 0.00 C ATOM 1447 CG ASN A 117 15.525 -0.948 -8.718 1.00 0.00 C ATOM 1448 OD1 ASN A 117 15.390 -0.405 -9.812 1.00 0.00 O ATOM 1449 ND2 ASN A 117 16.567 -1.716 -8.480 1.00 0.00 N ATOM 0 H ASN A 117 12.186 -2.447 -8.316 1.00 0.00 H new ATOM 0 HA ASN A 117 14.538 -2.583 -6.576 1.00 0.00 H new ATOM 0 HB2 ASN A 117 13.735 -0.038 -8.005 1.00 0.00 H new ATOM 0 HB3 ASN A 117 14.989 -0.208 -6.793 1.00 0.00 H new ATOM 0 HD21 ASN A 117 17.268 -1.863 -9.206 1.00 0.00 H new ATOM 0 HD22 ASN A 117 16.673 -2.164 -7.570 1.00 0.00 H new ATOM 1456 N ILE A 118 11.912 -2.502 -5.500 1.00 0.00 N ATOM 1457 CA ILE A 118 10.815 -2.187 -4.566 1.00 0.00 C ATOM 1458 C ILE A 118 11.319 -1.458 -3.329 1.00 0.00 C ATOM 1459 O ILE A 118 10.762 -0.435 -2.942 1.00 0.00 O ATOM 1460 CB ILE A 118 10.023 -3.457 -4.202 1.00 0.00 C ATOM 1461 CG1 ILE A 118 8.642 -3.056 -3.629 1.00 0.00 C ATOM 1462 CG2 ILE A 118 10.769 -4.449 -3.302 1.00 0.00 C ATOM 1463 CD1 ILE A 118 7.792 -4.219 -3.105 1.00 0.00 C ATOM 0 H ILE A 118 11.993 -3.494 -5.724 1.00 0.00 H new ATOM 0 HA ILE A 118 10.132 -1.506 -5.073 1.00 0.00 H new ATOM 0 HB ILE A 118 9.884 -4.017 -5.127 1.00 0.00 H new ATOM 0 HG12 ILE A 118 8.795 -2.344 -2.818 1.00 0.00 H new ATOM 0 HG13 ILE A 118 8.080 -2.537 -4.406 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.131 -5.309 -3.101 1.00 0.00 H new ATOM 0 HG22 ILE A 118 11.679 -4.781 -3.802 1.00 0.00 H new ATOM 0 HG23 ILE A 118 11.029 -3.963 -2.362 1.00 0.00 H new ATOM 0 HD11 ILE A 118 6.845 -3.835 -2.725 1.00 0.00 H new ATOM 0 HD12 ILE A 118 7.600 -4.923 -3.915 1.00 0.00 H new ATOM 0 HD13 ILE A 118 8.326 -4.727 -2.302 1.00 0.00 H new ATOM 1475 N SER A 119 12.420 -1.950 -2.779 1.00 0.00 N ATOM 1476 CA SER A 119 13.103 -1.347 -1.639 1.00 0.00 C ATOM 1477 C SER A 119 13.385 0.136 -1.890 1.00 0.00 C ATOM 1478 O SER A 119 13.194 0.984 -1.021 1.00 0.00 O ATOM 1479 CB SER A 119 14.405 -2.109 -1.374 1.00 0.00 C ATOM 1480 OG SER A 119 14.853 -1.905 -0.055 1.00 0.00 O ATOM 0 H SER A 119 12.875 -2.798 -3.119 1.00 0.00 H new ATOM 0 HA SER A 119 12.460 -1.413 -0.762 1.00 0.00 H new ATOM 0 HB2 SER A 119 14.248 -3.174 -1.547 1.00 0.00 H new ATOM 0 HB3 SER A 119 15.171 -1.781 -2.076 1.00 0.00 H new ATOM 0 HG SER A 119 14.799 -2.747 0.443 1.00 0.00 H new ATOM 1486 N ALA A 120 13.815 0.459 -3.108 1.00 0.00 N ATOM 1487 CA ALA A 120 14.117 1.819 -3.511 1.00 0.00 C ATOM 1488 C ALA A 120 12.851 2.641 -3.744 1.00 0.00 C ATOM 1489 O ALA A 120 12.908 3.855 -3.591 1.00 0.00 O ATOM 1490 CB ALA A 120 14.976 1.806 -4.772 1.00 0.00 C ATOM 0 H ALA A 120 13.963 -0.229 -3.847 1.00 0.00 H new ATOM 0 HA ALA A 120 14.667 2.292 -2.698 1.00 0.00 H new ATOM 0 HB1 ALA A 120 15.200 2.830 -5.070 1.00 0.00 H new ATOM 0 HB2 ALA A 120 15.907 1.274 -4.573 1.00 0.00 H new ATOM 0 HB3 ALA A 120 14.436 1.304 -5.575 1.00 0.00 H new ATOM 1496 N TYR A 121 11.721 2.053 -4.155 1.00 0.00 N ATOM 1497 CA TYR A 121 10.457 2.770 -4.158 1.00 0.00 C ATOM 1498 C TYR A 121 10.071 3.080 -2.711 1.00 0.00 C ATOM 1499 O TYR A 121 9.704 4.213 -2.417 1.00 0.00 O ATOM 1500 CB TYR A 121 9.351 1.958 -4.843 1.00 0.00 C ATOM 1501 CG TYR A 121 9.460 1.679 -6.332 1.00 0.00 C ATOM 1502 CD1 TYR A 121 9.923 2.659 -7.238 1.00 0.00 C ATOM 1503 CD2 TYR A 121 8.976 0.452 -6.826 1.00 0.00 C ATOM 1504 CE1 TYR A 121 9.922 2.403 -8.624 1.00 0.00 C ATOM 1505 CE2 TYR A 121 8.974 0.190 -8.205 1.00 0.00 C ATOM 1506 CZ TYR A 121 9.440 1.166 -9.111 1.00 0.00 C ATOM 1507 OH TYR A 121 9.350 0.914 -10.444 1.00 0.00 O ATOM 0 H TYR A 121 11.664 1.090 -4.486 1.00 0.00 H new ATOM 0 HA TYR A 121 10.574 3.695 -4.723 1.00 0.00 H new ATOM 0 HB2 TYR A 121 9.283 0.998 -4.332 1.00 0.00 H new ATOM 0 HB3 TYR A 121 8.408 2.477 -4.673 1.00 0.00 H new ATOM 0 HD1 TYR A 121 10.279 3.609 -6.867 1.00 0.00 H new ATOM 0 HD2 TYR A 121 8.604 -0.293 -6.138 1.00 0.00 H new ATOM 0 HE1 TYR A 121 10.289 3.150 -9.313 1.00 0.00 H new ATOM 0 HE2 TYR A 121 8.615 -0.760 -8.573 1.00 0.00 H new ATOM 0 HH TYR A 121 10.045 1.415 -10.919 1.00 0.00 H new ATOM 1517 N ALA A 122 10.190 2.106 -1.802 1.00 0.00 N ATOM 1518 CA ALA A 122 9.902 2.312 -0.388 1.00 0.00 C ATOM 1519 C ALA A 122 10.798 3.399 0.218 1.00 0.00 C ATOM 1520 O ALA A 122 10.329 4.156 1.058 1.00 0.00 O ATOM 1521 CB ALA A 122 10.015 0.991 0.376 1.00 0.00 C ATOM 0 H ALA A 122 10.488 1.158 -2.030 1.00 0.00 H new ATOM 0 HA ALA A 122 8.875 2.667 -0.297 1.00 0.00 H new ATOM 0 HB1 ALA A 122 9.797 1.161 1.430 1.00 0.00 H new ATOM 0 HB2 ALA A 122 9.303 0.273 -0.031 1.00 0.00 H new ATOM 0 HB3 ALA A 122 11.026 0.597 0.273 1.00 0.00 H new ATOM 1527 N ASP A 123 12.047 3.532 -0.228 1.00 0.00 N ATOM 1528 CA ASP A 123 12.965 4.593 0.204 1.00 0.00 C ATOM 1529 C ASP A 123 12.483 5.981 -0.237 1.00 0.00 C ATOM 1530 O ASP A 123 12.687 6.977 0.459 1.00 0.00 O ATOM 1531 CB ASP A 123 14.360 4.324 -0.373 1.00 0.00 C ATOM 1532 CG ASP A 123 15.518 4.915 0.441 1.00 0.00 C ATOM 1533 OD1 ASP A 123 15.326 5.437 1.558 1.00 0.00 O ATOM 1534 OD2 ASP A 123 16.672 4.766 -0.033 1.00 0.00 O ATOM 0 H ASP A 123 12.459 2.896 -0.911 1.00 0.00 H new ATOM 0 HA ASP A 123 12.999 4.585 1.293 1.00 0.00 H new ATOM 0 HB2 ASP A 123 14.503 3.246 -0.453 1.00 0.00 H new ATOM 0 HB3 ASP A 123 14.403 4.727 -1.385 1.00 0.00 H new ATOM 1539 N ILE A 124 11.814 6.073 -1.392 1.00 0.00 N ATOM 1540 CA ILE A 124 11.114 7.296 -1.799 1.00 0.00 C ATOM 1541 C ILE A 124 9.987 7.563 -0.797 1.00 0.00 C ATOM 1542 O ILE A 124 9.921 8.669 -0.257 1.00 0.00 O ATOM 1543 CB ILE A 124 10.588 7.258 -3.258 1.00 0.00 C ATOM 1544 CG1 ILE A 124 11.701 7.005 -4.296 1.00 0.00 C ATOM 1545 CG2 ILE A 124 9.918 8.597 -3.607 1.00 0.00 C ATOM 1546 CD1 ILE A 124 11.151 6.669 -5.688 1.00 0.00 C ATOM 0 H ILE A 124 11.743 5.310 -2.065 1.00 0.00 H new ATOM 0 HA ILE A 124 11.831 8.117 -1.789 1.00 0.00 H new ATOM 0 HB ILE A 124 9.881 6.430 -3.304 1.00 0.00 H new ATOM 0 HG12 ILE A 124 12.335 7.889 -4.365 1.00 0.00 H new ATOM 0 HG13 ILE A 124 12.332 6.186 -3.952 1.00 0.00 H new ATOM 0 HG21 ILE A 124 9.551 8.564 -4.633 1.00 0.00 H new ATOM 0 HG22 ILE A 124 9.084 8.774 -2.928 1.00 0.00 H new ATOM 0 HG23 ILE A 124 10.644 9.404 -3.508 1.00 0.00 H new ATOM 0 HD11 ILE A 124 11.980 6.501 -6.376 1.00 0.00 H new ATOM 0 HD12 ILE A 124 10.540 5.769 -5.630 1.00 0.00 H new ATOM 0 HD13 ILE A 124 10.542 7.498 -6.049 1.00 0.00 H new ATOM 1558 N VAL A 125 9.101 6.586 -0.557 1.00 0.00 N ATOM 1559 CA VAL A 125 7.961 6.740 0.352 1.00 0.00 C ATOM 1560 C VAL A 125 8.453 7.200 1.725 1.00 0.00 C ATOM 1561 O VAL A 125 7.933 8.181 2.264 1.00 0.00 O ATOM 1562 CB VAL A 125 7.134 5.439 0.454 1.00 0.00 C ATOM 1563 CG1 VAL A 125 5.916 5.637 1.372 1.00 0.00 C ATOM 1564 CG2 VAL A 125 6.650 4.962 -0.922 1.00 0.00 C ATOM 0 H VAL A 125 9.157 5.664 -0.990 1.00 0.00 H new ATOM 0 HA VAL A 125 7.296 7.502 -0.054 1.00 0.00 H new ATOM 0 HB VAL A 125 7.792 4.679 0.875 1.00 0.00 H new ATOM 0 HG11 VAL A 125 5.348 4.708 1.429 1.00 0.00 H new ATOM 0 HG12 VAL A 125 6.254 5.917 2.370 1.00 0.00 H new ATOM 0 HG13 VAL A 125 5.281 6.426 0.969 1.00 0.00 H new ATOM 0 HG21 VAL A 125 6.073 4.045 -0.807 1.00 0.00 H new ATOM 0 HG22 VAL A 125 6.023 5.731 -1.374 1.00 0.00 H new ATOM 0 HG23 VAL A 125 7.510 4.771 -1.564 1.00 0.00 H new ATOM 1574 N ARG A 126 9.479 6.530 2.258 1.00 0.00 N ATOM 1575 CA ARG A 126 10.119 6.896 3.506 1.00 0.00 C ATOM 1576 C ARG A 126 10.512 8.354 3.454 1.00 0.00 C ATOM 1577 O ARG A 126 10.139 9.097 4.346 1.00 0.00 O ATOM 1578 CB ARG A 126 11.335 6.009 3.793 1.00 0.00 C ATOM 1579 CG ARG A 126 11.870 6.342 5.191 1.00 0.00 C ATOM 1580 CD ARG A 126 13.177 5.607 5.465 1.00 0.00 C ATOM 1581 NE ARG A 126 13.741 5.992 6.767 1.00 0.00 N ATOM 1582 CZ ARG A 126 13.265 5.626 7.964 1.00 0.00 C ATOM 1583 NH1 ARG A 126 12.217 4.813 8.072 1.00 0.00 N ATOM 1584 NH2 ARG A 126 13.836 6.089 9.067 1.00 0.00 N ATOM 0 H ARG A 126 9.889 5.705 1.820 1.00 0.00 H new ATOM 0 HA ARG A 126 9.413 6.742 4.322 1.00 0.00 H new ATOM 0 HB2 ARG A 126 11.056 4.957 3.736 1.00 0.00 H new ATOM 0 HB3 ARG A 126 12.109 6.175 3.043 1.00 0.00 H new ATOM 0 HG2 ARG A 126 12.028 7.417 5.277 1.00 0.00 H new ATOM 0 HG3 ARG A 126 11.130 6.067 5.943 1.00 0.00 H new ATOM 0 HD2 ARG A 126 13.003 4.531 5.445 1.00 0.00 H new ATOM 0 HD3 ARG A 126 13.895 5.829 4.675 1.00 0.00 H new ATOM 0 HE ARG A 126 14.567 6.590 6.758 1.00 0.00 H new ATOM 0 HH11 ARG A 126 11.760 4.456 7.233 1.00 0.00 H new ATOM 0 HH12 ARG A 126 11.871 4.547 8.994 1.00 0.00 H new ATOM 0 HH21 ARG A 126 14.634 6.721 9.002 1.00 0.00 H new ATOM 0 HH22 ARG A 126 13.477 5.813 9.981 1.00 0.00 H new ATOM 1598 N GLU A 127 11.253 8.792 2.438 1.00 0.00 N ATOM 1599 CA GLU A 127 11.745 10.160 2.431 1.00 0.00 C ATOM 1600 C GLU A 127 10.614 11.182 2.391 1.00 0.00 C ATOM 1601 O GLU A 127 10.733 12.275 2.935 1.00 0.00 O ATOM 1602 CB GLU A 127 12.662 10.398 1.246 1.00 0.00 C ATOM 1603 CG GLU A 127 13.735 11.421 1.656 1.00 0.00 C ATOM 1604 CD GLU A 127 14.368 12.134 0.472 1.00 0.00 C ATOM 1605 OE1 GLU A 127 13.620 12.711 -0.354 1.00 0.00 O ATOM 1606 OE2 GLU A 127 15.612 12.196 0.388 1.00 0.00 O ATOM 0 H GLU A 127 11.519 8.231 1.628 1.00 0.00 H new ATOM 0 HA GLU A 127 12.297 10.292 3.362 1.00 0.00 H new ATOM 0 HB2 GLU A 127 13.129 9.464 0.935 1.00 0.00 H new ATOM 0 HB3 GLU A 127 12.092 10.768 0.394 1.00 0.00 H new ATOM 0 HG2 GLU A 127 13.287 12.161 2.320 1.00 0.00 H new ATOM 0 HG3 GLU A 127 14.514 10.913 2.224 1.00 0.00 H new ATOM 1613 N ARG A 128 9.502 10.857 1.736 1.00 0.00 N ATOM 1614 CA ARG A 128 8.315 11.716 1.833 1.00 0.00 C ATOM 1615 C ARG A 128 7.827 11.826 3.272 1.00 0.00 C ATOM 1616 O ARG A 128 7.508 12.941 3.687 1.00 0.00 O ATOM 1617 CB ARG A 128 7.165 11.273 0.919 1.00 0.00 C ATOM 1618 CG ARG A 128 7.524 11.187 -0.565 1.00 0.00 C ATOM 1619 CD ARG A 128 8.040 12.498 -1.174 1.00 0.00 C ATOM 1620 NE ARG A 128 9.069 12.234 -2.194 1.00 0.00 N ATOM 1621 CZ ARG A 128 10.394 12.307 -2.019 1.00 0.00 C ATOM 1622 NH1 ARG A 128 10.911 12.712 -0.863 1.00 0.00 N ATOM 1623 NH2 ARG A 128 11.200 11.974 -3.016 1.00 0.00 N ATOM 0 H ARG A 128 9.393 10.031 1.148 1.00 0.00 H new ATOM 0 HA ARG A 128 8.636 12.698 1.486 1.00 0.00 H new ATOM 0 HB2 ARG A 128 6.811 10.297 1.250 1.00 0.00 H new ATOM 0 HB3 ARG A 128 6.335 11.970 1.038 1.00 0.00 H new ATOM 0 HG2 ARG A 128 8.283 10.416 -0.698 1.00 0.00 H new ATOM 0 HG3 ARG A 128 6.643 10.865 -1.121 1.00 0.00 H new ATOM 0 HD2 ARG A 128 7.211 13.047 -1.621 1.00 0.00 H new ATOM 0 HD3 ARG A 128 8.454 13.130 -0.389 1.00 0.00 H new ATOM 0 HE ARG A 128 8.740 11.970 -3.123 1.00 0.00 H new ATOM 0 HH11 ARG A 128 10.296 12.973 -0.093 1.00 0.00 H new ATOM 0 HH12 ARG A 128 11.923 12.762 -0.747 1.00 0.00 H new ATOM 0 HH21 ARG A 128 10.809 11.666 -3.906 1.00 0.00 H new ATOM 0 HH22 ARG A 128 12.211 12.026 -2.893 1.00 0.00 H new ATOM 1637 N ALA A 129 7.792 10.730 4.029 1.00 0.00 N ATOM 1638 CA ALA A 129 7.446 10.763 5.443 1.00 0.00 C ATOM 1639 C ALA A 129 8.525 11.452 6.292 1.00 0.00 C ATOM 1640 O ALA A 129 8.178 12.120 7.267 1.00 0.00 O ATOM 1641 CB ALA A 129 7.176 9.351 5.948 1.00 0.00 C ATOM 0 H ALA A 129 8.003 9.796 3.676 1.00 0.00 H new ATOM 0 HA ALA A 129 6.539 11.359 5.546 1.00 0.00 H new ATOM 0 HB1 ALA A 129 6.918 9.386 7.006 1.00 0.00 H new ATOM 0 HB2 ALA A 129 6.349 8.916 5.387 1.00 0.00 H new ATOM 0 HB3 ALA A 129 8.068 8.739 5.812 1.00 0.00 H new ATOM 1647 N VAL A 130 9.799 11.368 5.901 1.00 0.00 N ATOM 1648 CA VAL A 130 10.898 12.109 6.509 1.00 0.00 C ATOM 1649 C VAL A 130 10.632 13.598 6.320 1.00 0.00 C ATOM 1650 O VAL A 130 10.667 14.347 7.284 1.00 0.00 O ATOM 1651 CB VAL A 130 12.266 11.663 5.949 1.00 0.00 C ATOM 1652 CG1 VAL A 130 13.404 12.591 6.386 1.00 0.00 C ATOM 1653 CG2 VAL A 130 12.626 10.227 6.369 1.00 0.00 C ATOM 0 H VAL A 130 10.098 10.767 5.133 1.00 0.00 H new ATOM 0 HA VAL A 130 10.948 11.896 7.577 1.00 0.00 H new ATOM 0 HB VAL A 130 12.159 11.708 4.865 1.00 0.00 H new ATOM 0 HG11 VAL A 130 14.345 12.235 5.967 1.00 0.00 H new ATOM 0 HG12 VAL A 130 13.207 13.602 6.029 1.00 0.00 H new ATOM 0 HG13 VAL A 130 13.471 12.597 7.474 1.00 0.00 H new ATOM 0 HG21 VAL A 130 13.596 9.958 5.951 1.00 0.00 H new ATOM 0 HG22 VAL A 130 12.670 10.166 7.456 1.00 0.00 H new ATOM 0 HG23 VAL A 130 11.868 9.538 5.997 1.00 0.00 H new ATOM 1663 N VAL A 131 10.309 14.048 5.110 1.00 0.00 N ATOM 1664 CA VAL A 131 9.936 15.437 4.850 1.00 0.00 C ATOM 1665 C VAL A 131 8.633 15.781 5.591 1.00 0.00 C ATOM 1666 O VAL A 131 8.424 16.938 5.948 1.00 0.00 O ATOM 1667 CB VAL A 131 9.862 15.665 3.322 1.00 0.00 C ATOM 1668 CG1 VAL A 131 9.294 17.036 2.920 1.00 0.00 C ATOM 1669 CG2 VAL A 131 11.264 15.556 2.692 1.00 0.00 C ATOM 0 H VAL A 131 10.298 13.457 4.278 1.00 0.00 H new ATOM 0 HA VAL A 131 10.691 16.121 5.237 1.00 0.00 H new ATOM 0 HB VAL A 131 9.186 14.891 2.957 1.00 0.00 H new ATOM 0 HG11 VAL A 131 9.275 17.118 1.833 1.00 0.00 H new ATOM 0 HG12 VAL A 131 8.281 17.138 3.309 1.00 0.00 H new ATOM 0 HG13 VAL A 131 9.923 17.825 3.332 1.00 0.00 H new ATOM 0 HG21 VAL A 131 11.193 15.719 1.617 1.00 0.00 H new ATOM 0 HG22 VAL A 131 11.920 16.308 3.131 1.00 0.00 H new ATOM 0 HG23 VAL A 131 11.672 14.563 2.882 1.00 0.00 H new ATOM 1679 N ARG A 132 7.753 14.806 5.853 1.00 0.00 N ATOM 1680 CA ARG A 132 6.534 15.024 6.623 1.00 0.00 C ATOM 1681 C ARG A 132 6.819 15.378 8.073 1.00 0.00 C ATOM 1682 O ARG A 132 6.146 16.253 8.610 1.00 0.00 O ATOM 1683 CB ARG A 132 5.575 13.826 6.476 1.00 0.00 C ATOM 1684 CG ARG A 132 4.136 14.138 6.892 1.00 0.00 C ATOM 1685 CD ARG A 132 3.433 15.025 5.861 1.00 0.00 C ATOM 1686 NE ARG A 132 2.773 16.180 6.485 1.00 0.00 N ATOM 1687 CZ ARG A 132 1.553 16.210 7.024 1.00 0.00 C ATOM 1688 NH1 ARG A 132 0.773 15.133 7.024 1.00 0.00 N ATOM 1689 NH2 ARG A 132 1.122 17.343 7.567 1.00 0.00 N ATOM 0 H ARG A 132 7.872 13.844 5.534 1.00 0.00 H new ATOM 0 HA ARG A 132 6.029 15.896 6.207 1.00 0.00 H new ATOM 0 HB2 ARG A 132 5.580 13.493 5.438 1.00 0.00 H new ATOM 0 HB3 ARG A 132 5.947 12.998 7.079 1.00 0.00 H new ATOM 0 HG2 ARG A 132 3.581 13.208 7.012 1.00 0.00 H new ATOM 0 HG3 ARG A 132 4.136 14.636 7.862 1.00 0.00 H new ATOM 0 HD2 ARG A 132 4.160 15.375 5.129 1.00 0.00 H new ATOM 0 HD3 ARG A 132 2.694 14.435 5.319 1.00 0.00 H new ATOM 0 HE ARG A 132 3.304 17.051 6.509 1.00 0.00 H new ATOM 0 HH11 ARG A 132 1.104 14.263 6.607 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -0.157 15.177 7.441 1.00 0.00 H new ATOM 0 HH21 ARG A 132 1.721 18.169 7.567 1.00 0.00 H new ATOM 0 HH22 ARG A 132 0.192 17.387 7.984 1.00 0.00 H new ATOM 1703 N GLU A 133 7.776 14.724 8.719 1.00 0.00 N ATOM 1704 CA GLU A 133 8.217 15.094 10.063 1.00 0.00 C ATOM 1705 C GLU A 133 9.108 16.336 9.980 1.00 0.00 C ATOM 1706 O GLU A 133 8.849 17.353 10.630 1.00 0.00 O ATOM 1707 CB GLU A 133 8.859 13.916 10.818 1.00 0.00 C ATOM 1708 CG GLU A 133 10.031 13.213 10.124 1.00 0.00 C ATOM 1709 CD GLU A 133 10.606 12.050 10.929 1.00 0.00 C ATOM 1710 OE1 GLU A 133 10.934 12.244 12.121 1.00 0.00 O ATOM 1711 OE2 GLU A 133 10.820 10.957 10.356 1.00 0.00 O ATOM 0 H GLU A 133 8.270 13.922 8.328 1.00 0.00 H new ATOM 0 HA GLU A 133 7.346 15.352 10.666 1.00 0.00 H new ATOM 0 HB2 GLU A 133 9.205 14.279 11.786 1.00 0.00 H new ATOM 0 HB3 GLU A 133 8.085 13.174 11.014 1.00 0.00 H new ATOM 0 HG2 GLU A 133 9.700 12.844 9.153 1.00 0.00 H new ATOM 0 HG3 GLU A 133 10.821 13.940 9.936 1.00 0.00 H new ATOM 1718 N MET A 134 10.130 16.290 9.135 1.00 0.00 N ATOM 1719 CA MET A 134 11.073 17.357 8.848 1.00 0.00 C ATOM 1720 C MET A 134 10.458 18.328 7.831 1.00 0.00 C ATOM 1721 O MET A 134 11.064 18.591 6.785 1.00 0.00 O ATOM 1722 CB MET A 134 12.422 16.779 8.358 1.00 0.00 C ATOM 1723 CG MET A 134 13.038 15.674 9.234 1.00 0.00 C ATOM 1724 SD MET A 134 12.990 15.910 11.039 1.00 0.00 S ATOM 1725 CE MET A 134 13.727 14.335 11.558 1.00 0.00 C ATOM 0 H MET A 134 10.333 15.448 8.597 1.00 0.00 H new ATOM 0 HA MET A 134 11.281 17.913 9.762 1.00 0.00 H new ATOM 0 HB2 MET A 134 12.281 16.382 7.352 1.00 0.00 H new ATOM 0 HB3 MET A 134 13.139 17.597 8.281 1.00 0.00 H new ATOM 0 HG2 MET A 134 12.529 14.738 9.003 1.00 0.00 H new ATOM 0 HG3 MET A 134 14.080 15.551 8.938 1.00 0.00 H new ATOM 0 HE1 MET A 134 13.780 14.299 12.646 1.00 0.00 H new ATOM 0 HE2 MET A 134 13.113 13.510 11.197 1.00 0.00 H new ATOM 0 HE3 MET A 134 14.731 14.249 11.143 1.00 0.00 H new ATOM 1735 N ILE A 135 9.268 18.873 8.136 1.00 0.00 N ATOM 1736 CA ILE A 135 8.638 19.965 7.393 1.00 0.00 C ATOM 1737 C ILE A 135 9.710 21.033 7.189 1.00 0.00 C ATOM 1738 O ILE A 135 10.190 21.649 8.147 1.00 0.00 O ATOM 1739 CB ILE A 135 7.382 20.517 8.110 1.00 0.00 C ATOM 1740 CG1 ILE A 135 6.254 19.481 8.293 1.00 0.00 C ATOM 1741 CG2 ILE A 135 6.818 21.762 7.400 1.00 0.00 C ATOM 1742 CD1 ILE A 135 5.611 18.952 7.001 1.00 0.00 C ATOM 0 H ILE A 135 8.708 18.555 8.927 1.00 0.00 H new ATOM 0 HA ILE A 135 8.269 19.609 6.431 1.00 0.00 H new ATOM 0 HB ILE A 135 7.735 20.789 9.105 1.00 0.00 H new ATOM 0 HG12 ILE A 135 6.653 18.634 8.851 1.00 0.00 H new ATOM 0 HG13 ILE A 135 5.473 19.928 8.908 1.00 0.00 H new ATOM 0 HG21 ILE A 135 5.937 22.118 7.935 1.00 0.00 H new ATOM 0 HG22 ILE A 135 7.575 22.546 7.385 1.00 0.00 H new ATOM 0 HG23 ILE A 135 6.542 21.504 6.378 1.00 0.00 H new ATOM 0 HD11 ILE A 135 4.832 18.231 7.251 1.00 0.00 H new ATOM 0 HD12 ILE A 135 5.173 19.782 6.446 1.00 0.00 H new ATOM 0 HD13 ILE A 135 6.371 18.467 6.388 1.00 0.00 H new ATOM 1754 N SER A 136 10.145 21.173 5.944 1.00 0.00 N ATOM 1755 CA SER A 136 11.300 21.954 5.539 1.00 0.00 C ATOM 1756 C SER A 136 10.840 23.169 4.757 1.00 0.00 C ATOM 1757 O SER A 136 11.701 23.936 4.291 1.00 0.00 O ATOM 1758 CB SER A 136 12.316 21.057 4.801 1.00 0.00 C ATOM 1759 OG SER A 136 11.795 19.768 4.473 1.00 0.00 O ATOM 1760 OXT SER A 136 9.615 23.410 4.659 1.00 0.00 O ATOM 0 H SER A 136 9.679 20.724 5.155 1.00 0.00 H new ATOM 0 HA SER A 136 11.835 22.340 6.407 1.00 0.00 H new ATOM 0 HB2 SER A 136 12.634 21.557 3.886 1.00 0.00 H new ATOM 0 HB3 SER A 136 13.203 20.936 5.423 1.00 0.00 H new ATOM 0 HG SER A 136 11.638 19.259 5.296 1.00 0.00 H new TER 1766 SER A 136