USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 704 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -57:sc= 0.0677 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 18:sc= 1.21 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 CYS SG : rot 180:sc= -1.78 USER MOD Single : A 27 GLN : amide:sc= -0.781 K(o=-0.78,f=-4.6!) USER MOD Single : A 32 GLN : amide:sc= -0.923 X(o=-0.92,f=-1.1) USER MOD Single : A 33 CYS SG : rot 180:sc= -5.23! USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -25:sc= 0.298 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN :FLIP amide:sc= 0 F(o=-0.71,f=0) USER MOD Single : A 50 GLN : amide:sc= -0.0191 X(o=-0.019,f=-0.32) USER MOD Single : A 53 GLN :FLIP amide:sc= -0.371 F(o=-1.5,f=-0.37) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 31:sc= 0.203 USER MOD Single : A 67 HIS : no HD1:sc= -0.196 X(o=-0.2,f=-0.013) USER MOD Single : A 69 GLN : amide:sc= -2.19! C(o=-2.2!,f=-7.8!) USER MOD Single : A 76 HIS : no HD1:sc= -0.609 X(o=-0.61,f=-0.38) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -1.07 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 CYS SG : rot 96:sc= 0.0317 USER MOD Single : A 85 ASN : amide:sc= -5.34! C(o=-5.3!,f=-23!) USER MOD Single : A 89 GLN : amide:sc= -0.506 X(o=-0.51,f=-0.022) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 CYS SG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HE2:sc= -1.31 K(o=-1.3,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 31.289 11.679 -10.513 1.00 0.00 N ATOM 2 CA GLY A 1 31.222 11.147 -9.165 1.00 0.00 C ATOM 3 C GLY A 1 30.195 10.041 -9.028 1.00 0.00 C ATOM 4 O GLY A 1 30.205 9.078 -9.794 1.00 0.00 O ATOM 0 H1 GLY A 1 32.005 12.432 -10.554 1.00 0.00 H new ATOM 0 H2 GLY A 1 31.548 10.919 -11.174 1.00 0.00 H new ATOM 0 H3 GLY A 1 30.362 12.068 -10.779 1.00 0.00 H new ATOM 0 HA2 GLY A 1 32.202 10.766 -8.879 1.00 0.00 H new ATOM 0 HA3 GLY A 1 30.979 11.952 -8.472 1.00 0.00 H new ATOM 8 N SER A 2 29.306 10.179 -8.049 1.00 0.00 N ATOM 9 CA SER A 2 28.270 9.181 -7.811 1.00 0.00 C ATOM 10 C SER A 2 28.877 7.786 -7.694 1.00 0.00 C ATOM 11 O SER A 2 28.362 6.823 -8.262 1.00 0.00 O ATOM 12 CB SER A 2 27.238 9.207 -8.940 1.00 0.00 C ATOM 13 OG SER A 2 26.044 8.549 -8.554 1.00 0.00 O ATOM 0 H SER A 2 29.283 10.972 -7.408 1.00 0.00 H new ATOM 0 HA SER A 2 27.775 9.424 -6.871 1.00 0.00 H new ATOM 0 HB2 SER A 2 27.017 10.239 -9.211 1.00 0.00 H new ATOM 0 HB3 SER A 2 27.652 8.726 -9.826 1.00 0.00 H new ATOM 0 HG SER A 2 26.250 7.630 -8.282 1.00 0.00 H new ATOM 19 N SER A 3 29.976 7.685 -6.953 1.00 0.00 N ATOM 20 CA SER A 3 30.657 6.410 -6.764 1.00 0.00 C ATOM 21 C SER A 3 29.996 5.601 -5.651 1.00 0.00 C ATOM 22 O SER A 3 30.673 5.018 -4.806 1.00 0.00 O ATOM 23 CB SER A 3 32.133 6.639 -6.435 1.00 0.00 C ATOM 24 OG SER A 3 32.814 7.225 -7.531 1.00 0.00 O ATOM 0 H SER A 3 30.414 8.472 -6.474 1.00 0.00 H new ATOM 0 HA SER A 3 30.583 5.846 -7.694 1.00 0.00 H new ATOM 0 HB2 SER A 3 32.218 7.286 -5.562 1.00 0.00 H new ATOM 0 HB3 SER A 3 32.603 5.690 -6.176 1.00 0.00 H new ATOM 0 HG SER A 3 33.755 7.363 -7.295 1.00 0.00 H new ATOM 30 N GLY A 4 28.667 5.573 -5.658 1.00 0.00 N ATOM 31 CA GLY A 4 27.935 4.834 -4.645 1.00 0.00 C ATOM 32 C GLY A 4 26.563 5.420 -4.378 1.00 0.00 C ATOM 33 O GLY A 4 26.441 6.587 -4.006 1.00 0.00 O ATOM 0 H GLY A 4 28.084 6.049 -6.347 1.00 0.00 H new ATOM 0 HA2 GLY A 4 27.828 3.797 -4.963 1.00 0.00 H new ATOM 0 HA3 GLY A 4 28.510 4.826 -3.719 1.00 0.00 H new ATOM 37 N SER A 5 25.527 4.609 -4.570 1.00 0.00 N ATOM 38 CA SER A 5 24.156 5.055 -4.352 1.00 0.00 C ATOM 39 C SER A 5 23.903 5.330 -2.873 1.00 0.00 C ATOM 40 O SER A 5 24.140 4.474 -2.022 1.00 0.00 O ATOM 41 CB SER A 5 23.168 4.006 -4.864 1.00 0.00 C ATOM 42 OG SER A 5 22.947 4.150 -6.256 1.00 0.00 O ATOM 0 H SER A 5 25.611 3.640 -4.876 1.00 0.00 H new ATOM 0 HA SER A 5 24.009 5.982 -4.906 1.00 0.00 H new ATOM 0 HB2 SER A 5 23.552 3.008 -4.655 1.00 0.00 H new ATOM 0 HB3 SER A 5 22.222 4.102 -4.331 1.00 0.00 H new ATOM 0 HG SER A 5 22.313 3.467 -6.559 1.00 0.00 H new ATOM 48 N SER A 6 23.419 6.532 -2.575 1.00 0.00 N ATOM 49 CA SER A 6 23.136 6.923 -1.199 1.00 0.00 C ATOM 50 C SER A 6 21.721 6.516 -0.799 1.00 0.00 C ATOM 51 O SER A 6 20.751 6.849 -1.478 1.00 0.00 O ATOM 52 CB SER A 6 23.312 8.433 -1.029 1.00 0.00 C ATOM 53 OG SER A 6 24.665 8.763 -0.769 1.00 0.00 O ATOM 0 H SER A 6 23.215 7.252 -3.268 1.00 0.00 H new ATOM 0 HA SER A 6 23.842 6.407 -0.548 1.00 0.00 H new ATOM 0 HB2 SER A 6 22.976 8.945 -1.931 1.00 0.00 H new ATOM 0 HB3 SER A 6 22.685 8.785 -0.210 1.00 0.00 H new ATOM 0 HG SER A 6 24.751 9.734 -0.666 1.00 0.00 H new ATOM 59 N GLY A 7 21.612 5.792 0.311 1.00 0.00 N ATOM 60 CA GLY A 7 20.313 5.350 0.784 1.00 0.00 C ATOM 61 C GLY A 7 20.140 3.848 0.684 1.00 0.00 C ATOM 62 O GLY A 7 20.049 3.298 -0.413 1.00 0.00 O ATOM 0 H GLY A 7 22.400 5.504 0.891 1.00 0.00 H new ATOM 0 HA2 GLY A 7 20.183 5.659 1.821 1.00 0.00 H new ATOM 0 HA3 GLY A 7 19.532 5.842 0.204 1.00 0.00 H new ATOM 66 N MET A 8 20.095 3.181 1.833 1.00 0.00 N ATOM 67 CA MET A 8 19.932 1.732 1.870 1.00 0.00 C ATOM 68 C MET A 8 18.483 1.341 1.601 1.00 0.00 C ATOM 69 O MET A 8 17.559 2.084 1.933 1.00 0.00 O ATOM 70 CB MET A 8 20.379 1.181 3.225 1.00 0.00 C ATOM 71 CG MET A 8 19.431 1.526 4.363 1.00 0.00 C ATOM 72 SD MET A 8 20.145 1.195 5.985 1.00 0.00 S ATOM 73 CE MET A 8 18.994 2.066 7.046 1.00 0.00 C ATOM 0 H MET A 8 20.169 3.621 2.750 1.00 0.00 H new ATOM 0 HA MET A 8 20.557 1.301 1.088 1.00 0.00 H new ATOM 0 HB2 MET A 8 20.471 0.097 3.155 1.00 0.00 H new ATOM 0 HB3 MET A 8 21.370 1.570 3.458 1.00 0.00 H new ATOM 0 HG2 MET A 8 19.159 2.580 4.298 1.00 0.00 H new ATOM 0 HG3 MET A 8 18.511 0.952 4.251 1.00 0.00 H new ATOM 0 HE1 MET A 8 19.302 1.955 8.086 1.00 0.00 H new ATOM 0 HE2 MET A 8 18.984 3.123 6.782 1.00 0.00 H new ATOM 0 HE3 MET A 8 17.995 1.651 6.917 1.00 0.00 H new ATOM 83 N GLU A 9 18.291 0.172 0.999 1.00 0.00 N ATOM 84 CA GLU A 9 16.953 -0.315 0.685 1.00 0.00 C ATOM 85 C GLU A 9 16.454 -1.269 1.767 1.00 0.00 C ATOM 86 O GLU A 9 17.197 -1.637 2.677 1.00 0.00 O ATOM 87 CB GLU A 9 16.948 -1.020 -0.673 1.00 0.00 C ATOM 88 CG GLU A 9 17.277 -0.101 -1.837 1.00 0.00 C ATOM 89 CD GLU A 9 17.879 -0.843 -3.014 1.00 0.00 C ATOM 90 OE1 GLU A 9 17.199 -1.734 -3.564 1.00 0.00 O ATOM 91 OE2 GLU A 9 19.030 -0.533 -3.385 1.00 0.00 O ATOM 0 H GLU A 9 19.045 -0.455 0.719 1.00 0.00 H new ATOM 0 HA GLU A 9 16.282 0.543 0.643 1.00 0.00 H new ATOM 0 HB2 GLU A 9 17.669 -1.837 -0.651 1.00 0.00 H new ATOM 0 HB3 GLU A 9 15.967 -1.465 -0.838 1.00 0.00 H new ATOM 0 HG2 GLU A 9 16.370 0.409 -2.160 1.00 0.00 H new ATOM 0 HG3 GLU A 9 17.973 0.668 -1.502 1.00 0.00 H new ATOM 98 N VAL A 10 15.189 -1.665 1.662 1.00 0.00 N ATOM 99 CA VAL A 10 14.590 -2.575 2.630 1.00 0.00 C ATOM 100 C VAL A 10 13.495 -3.419 1.986 1.00 0.00 C ATOM 101 O VAL A 10 13.013 -3.103 0.899 1.00 0.00 O ATOM 102 CB VAL A 10 13.996 -1.810 3.827 1.00 0.00 C ATOM 103 CG1 VAL A 10 15.076 -1.503 4.853 1.00 0.00 C ATOM 104 CG2 VAL A 10 13.316 -0.533 3.358 1.00 0.00 C ATOM 0 H VAL A 10 14.560 -1.369 0.916 1.00 0.00 H new ATOM 0 HA VAL A 10 15.387 -3.228 2.986 1.00 0.00 H new ATOM 0 HB VAL A 10 13.245 -2.441 4.303 1.00 0.00 H new ATOM 0 HG11 VAL A 10 14.638 -0.962 5.692 1.00 0.00 H new ATOM 0 HG12 VAL A 10 15.513 -2.435 5.211 1.00 0.00 H new ATOM 0 HG13 VAL A 10 15.852 -0.891 4.393 1.00 0.00 H new ATOM 0 HG21 VAL A 10 12.902 -0.005 4.217 1.00 0.00 H new ATOM 0 HG22 VAL A 10 14.045 0.104 2.857 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.514 -0.782 2.664 1.00 0.00 H new ATOM 114 N ALA A 11 13.107 -4.493 2.666 1.00 0.00 N ATOM 115 CA ALA A 11 12.066 -5.381 2.162 1.00 0.00 C ATOM 116 C ALA A 11 10.678 -4.824 2.458 1.00 0.00 C ATOM 117 O ALA A 11 10.463 -4.119 3.444 1.00 0.00 O ATOM 118 CB ALA A 11 12.220 -6.769 2.764 1.00 0.00 C ATOM 0 H ALA A 11 13.498 -4.769 3.567 1.00 0.00 H new ATOM 0 HA ALA A 11 12.176 -5.452 1.080 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.436 -7.422 2.379 1.00 0.00 H new ATOM 0 HB2 ALA A 11 13.195 -7.176 2.496 1.00 0.00 H new ATOM 0 HB3 ALA A 11 12.139 -6.706 3.849 1.00 0.00 H new ATOM 124 N PRO A 12 9.712 -5.146 1.586 1.00 0.00 N ATOM 125 CA PRO A 12 8.327 -4.687 1.733 1.00 0.00 C ATOM 126 C PRO A 12 7.620 -5.349 2.911 1.00 0.00 C ATOM 127 O PRO A 12 7.980 -6.452 3.323 1.00 0.00 O ATOM 128 CB PRO A 12 7.673 -5.104 0.413 1.00 0.00 C ATOM 129 CG PRO A 12 8.489 -6.254 -0.067 1.00 0.00 C ATOM 130 CD PRO A 12 9.896 -5.982 0.388 1.00 0.00 C ATOM 0 HA PRO A 12 8.271 -3.617 1.932 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.632 -5.391 0.560 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.679 -4.286 -0.308 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.120 -7.193 0.345 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.440 -6.341 -1.152 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.429 -6.904 0.620 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.473 -5.464 -0.378 1.00 0.00 H new ATOM 138 N SER A 13 6.611 -4.670 3.447 1.00 0.00 N ATOM 139 CA SER A 13 5.855 -5.192 4.580 1.00 0.00 C ATOM 140 C SER A 13 4.622 -4.335 4.851 1.00 0.00 C ATOM 141 O SER A 13 4.466 -3.253 4.283 1.00 0.00 O ATOM 142 CB SER A 13 6.738 -5.246 5.828 1.00 0.00 C ATOM 143 OG SER A 13 7.529 -6.421 5.842 1.00 0.00 O ATOM 0 H SER A 13 6.298 -3.758 3.115 1.00 0.00 H new ATOM 0 HA SER A 13 5.527 -6.202 4.333 1.00 0.00 H new ATOM 0 HB2 SER A 13 7.384 -4.369 5.859 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.114 -5.213 6.721 1.00 0.00 H new ATOM 0 HG SER A 13 7.557 -6.807 4.942 1.00 0.00 H new ATOM 149 N PHE A 14 3.748 -4.826 5.723 1.00 0.00 N ATOM 150 CA PHE A 14 2.528 -4.106 6.071 1.00 0.00 C ATOM 151 C PHE A 14 2.448 -3.865 7.575 1.00 0.00 C ATOM 152 O PHE A 14 2.305 -4.804 8.358 1.00 0.00 O ATOM 153 CB PHE A 14 1.299 -4.888 5.602 1.00 0.00 C ATOM 154 CG PHE A 14 1.038 -4.766 4.128 1.00 0.00 C ATOM 155 CD1 PHE A 14 0.602 -3.568 3.585 1.00 0.00 C ATOM 156 CD2 PHE A 14 1.228 -5.849 3.285 1.00 0.00 C ATOM 157 CE1 PHE A 14 0.360 -3.453 2.229 1.00 0.00 C ATOM 158 CE2 PHE A 14 0.988 -5.740 1.928 1.00 0.00 C ATOM 159 CZ PHE A 14 0.554 -4.540 1.399 1.00 0.00 C ATOM 0 H PHE A 14 3.861 -5.719 6.202 1.00 0.00 H new ATOM 0 HA PHE A 14 2.550 -3.140 5.568 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.430 -5.940 5.854 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.424 -4.536 6.148 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.450 -2.714 4.229 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.568 -6.790 3.693 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.019 -2.514 1.819 1.00 0.00 H new ATOM 0 HE2 PHE A 14 1.140 -6.592 1.282 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.367 -4.452 0.339 1.00 0.00 H new ATOM 169 N SER A 15 2.543 -2.600 7.972 1.00 0.00 N ATOM 170 CA SER A 15 2.486 -2.235 9.383 1.00 0.00 C ATOM 171 C SER A 15 1.059 -2.337 9.913 1.00 0.00 C ATOM 172 O SER A 15 0.827 -2.843 11.011 1.00 0.00 O ATOM 173 CB SER A 15 3.017 -0.815 9.586 1.00 0.00 C ATOM 174 OG SER A 15 2.851 -0.395 10.929 1.00 0.00 O ATOM 0 H SER A 15 2.660 -1.811 7.337 1.00 0.00 H new ATOM 0 HA SER A 15 3.113 -2.932 9.939 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.073 -0.776 9.318 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.494 -0.129 8.920 1.00 0.00 H new ATOM 0 HG SER A 15 3.200 0.515 11.033 1.00 0.00 H new ATOM 180 N SER A 16 0.105 -1.851 9.124 1.00 0.00 N ATOM 181 CA SER A 16 -1.299 -1.883 9.515 1.00 0.00 C ATOM 182 C SER A 16 -2.168 -2.405 8.374 1.00 0.00 C ATOM 183 O SER A 16 -2.814 -1.632 7.666 1.00 0.00 O ATOM 184 CB SER A 16 -1.767 -0.487 9.929 1.00 0.00 C ATOM 185 OG SER A 16 -1.372 -0.190 11.257 1.00 0.00 O ATOM 0 H SER A 16 0.279 -1.431 8.211 1.00 0.00 H new ATOM 0 HA SER A 16 -1.399 -2.559 10.364 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.352 0.256 9.248 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.852 -0.424 9.846 1.00 0.00 H new ATOM 0 HG SER A 16 -1.682 0.708 11.497 1.00 0.00 H new ATOM 191 N VAL A 17 -2.179 -3.723 8.203 1.00 0.00 N ATOM 192 CA VAL A 17 -2.969 -4.350 7.150 1.00 0.00 C ATOM 193 C VAL A 17 -4.376 -3.767 7.097 1.00 0.00 C ATOM 194 O VAL A 17 -4.794 -3.041 8.000 1.00 0.00 O ATOM 195 CB VAL A 17 -3.064 -5.874 7.352 1.00 0.00 C ATOM 196 CG1 VAL A 17 -1.696 -6.521 7.189 1.00 0.00 C ATOM 197 CG2 VAL A 17 -3.655 -6.195 8.716 1.00 0.00 C ATOM 0 H VAL A 17 -1.650 -4.377 8.780 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.459 -4.147 6.208 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.726 -6.283 6.589 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.783 -7.598 7.335 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.316 -6.320 6.187 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.008 -6.109 7.928 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.715 -7.276 8.841 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.020 -5.774 9.496 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.654 -5.766 8.790 1.00 0.00 H new ATOM 207 N LEU A 18 -5.105 -4.090 6.034 1.00 0.00 N ATOM 208 CA LEU A 18 -6.468 -3.599 5.863 1.00 0.00 C ATOM 209 C LEU A 18 -7.409 -4.240 6.877 1.00 0.00 C ATOM 210 O LEU A 18 -7.241 -5.401 7.249 1.00 0.00 O ATOM 211 CB LEU A 18 -6.959 -3.884 4.442 1.00 0.00 C ATOM 212 CG LEU A 18 -6.275 -3.096 3.324 1.00 0.00 C ATOM 213 CD1 LEU A 18 -6.425 -3.818 1.994 1.00 0.00 C ATOM 214 CD2 LEU A 18 -6.846 -1.689 3.237 1.00 0.00 C ATOM 0 H LEU A 18 -4.775 -4.690 5.278 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.464 -2.522 6.030 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.830 -4.947 4.241 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.029 -3.680 4.401 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.212 -3.021 3.555 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.932 -3.243 1.210 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.967 -4.805 2.062 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.483 -3.925 1.755 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.347 -1.143 2.436 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.915 -1.742 3.029 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.686 -1.172 4.183 1.00 0.00 H new ATOM 226 N LYS A 19 -8.402 -3.475 7.320 1.00 0.00 N ATOM 227 CA LYS A 19 -9.373 -3.969 8.289 1.00 0.00 C ATOM 228 C LYS A 19 -10.794 -3.844 7.747 1.00 0.00 C ATOM 229 O LYS A 19 -11.097 -2.932 6.978 1.00 0.00 O ATOM 230 CB LYS A 19 -9.249 -3.197 9.605 1.00 0.00 C ATOM 231 CG LYS A 19 -8.051 -3.610 10.442 1.00 0.00 C ATOM 232 CD LYS A 19 -8.400 -4.740 11.396 1.00 0.00 C ATOM 233 CE LYS A 19 -8.271 -6.098 10.724 1.00 0.00 C ATOM 234 NZ LYS A 19 -8.067 -7.190 11.715 1.00 0.00 N ATOM 0 H LYS A 19 -8.555 -2.511 7.023 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.163 -5.023 8.471 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.179 -2.132 9.386 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.158 -3.343 10.189 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.239 -3.924 9.786 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.689 -2.752 11.009 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.743 -4.699 12.265 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.419 -4.608 11.760 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.169 -6.301 10.140 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.434 -6.080 10.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.984 -8.099 11.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.197 -7.010 12.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.878 -7.224 12.366 1.00 0.00 H new ATOM 248 N ASP A 20 -11.660 -4.766 8.154 1.00 0.00 N ATOM 249 CA ASP A 20 -13.049 -4.757 7.711 1.00 0.00 C ATOM 250 C ASP A 20 -13.675 -3.381 7.911 1.00 0.00 C ATOM 251 O ASP A 20 -13.351 -2.674 8.866 1.00 0.00 O ATOM 252 CB ASP A 20 -13.855 -5.813 8.469 1.00 0.00 C ATOM 253 CG ASP A 20 -15.198 -6.091 7.823 1.00 0.00 C ATOM 254 OD1 ASP A 20 -16.091 -5.223 7.914 1.00 0.00 O ATOM 255 OD2 ASP A 20 -15.356 -7.177 7.226 1.00 0.00 O ATOM 0 H ASP A 20 -11.425 -5.528 8.789 1.00 0.00 H new ATOM 0 HA ASP A 20 -13.066 -4.992 6.647 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -13.280 -6.738 8.518 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -14.011 -5.480 9.495 1.00 0.00 H new ATOM 260 N CYS A 21 -14.572 -3.007 7.005 1.00 0.00 N ATOM 261 CA CYS A 21 -15.243 -1.714 7.082 1.00 0.00 C ATOM 262 C CYS A 21 -16.653 -1.798 6.508 1.00 0.00 C ATOM 263 O CYS A 21 -16.894 -2.500 5.526 1.00 0.00 O ATOM 264 CB CYS A 21 -14.436 -0.653 6.332 1.00 0.00 C ATOM 265 SG CYS A 21 -14.386 -0.892 4.540 1.00 0.00 S ATOM 0 H CYS A 21 -14.851 -3.580 6.209 1.00 0.00 H new ATOM 0 HA CYS A 21 -15.315 -1.431 8.132 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -14.860 0.328 6.545 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -13.416 -0.650 6.716 1.00 0.00 H new ATOM 0 HG CYS A 21 -13.683 0.056 3.995 1.00 0.00 H new ATOM 271 N ALA A 22 -17.583 -1.078 7.127 1.00 0.00 N ATOM 272 CA ALA A 22 -18.969 -1.071 6.678 1.00 0.00 C ATOM 273 C ALA A 22 -19.322 0.252 6.006 1.00 0.00 C ATOM 274 O ALA A 22 -18.930 1.321 6.473 1.00 0.00 O ATOM 275 CB ALA A 22 -19.905 -1.336 7.848 1.00 0.00 C ATOM 0 H ALA A 22 -17.401 -0.492 7.942 1.00 0.00 H new ATOM 0 HA ALA A 22 -19.090 -1.866 5.943 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -20.937 -1.328 7.497 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -19.677 -2.309 8.283 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -19.772 -0.561 8.603 1.00 0.00 H new ATOM 281 N VAL A 23 -20.063 0.172 4.905 1.00 0.00 N ATOM 282 CA VAL A 23 -20.469 1.364 4.169 1.00 0.00 C ATOM 283 C VAL A 23 -21.824 1.161 3.500 1.00 0.00 C ATOM 284 O VAL A 23 -22.189 0.041 3.141 1.00 0.00 O ATOM 285 CB VAL A 23 -19.430 1.741 3.096 1.00 0.00 C ATOM 286 CG1 VAL A 23 -19.574 0.845 1.875 1.00 0.00 C ATOM 287 CG2 VAL A 23 -19.570 3.206 2.712 1.00 0.00 C ATOM 0 H VAL A 23 -20.394 -0.705 4.503 1.00 0.00 H new ATOM 0 HA VAL A 23 -20.543 2.175 4.894 1.00 0.00 H new ATOM 0 HB VAL A 23 -18.433 1.591 3.511 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -18.832 1.126 1.128 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -19.420 -0.194 2.166 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -20.573 0.960 1.455 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -18.829 3.456 1.953 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -20.569 3.384 2.315 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -19.412 3.829 3.592 1.00 0.00 H new ATOM 297 N ILE A 24 -22.565 2.252 3.335 1.00 0.00 N ATOM 298 CA ILE A 24 -23.879 2.194 2.708 1.00 0.00 C ATOM 299 C ILE A 24 -23.773 2.354 1.195 1.00 0.00 C ATOM 300 O ILE A 24 -22.859 3.008 0.693 1.00 0.00 O ATOM 301 CB ILE A 24 -24.817 3.282 3.263 1.00 0.00 C ATOM 302 CG1 ILE A 24 -25.253 2.931 4.687 1.00 0.00 C ATOM 303 CG2 ILE A 24 -26.028 3.450 2.359 1.00 0.00 C ATOM 304 CD1 ILE A 24 -24.215 3.261 5.737 1.00 0.00 C ATOM 0 H ILE A 24 -22.277 3.186 3.627 1.00 0.00 H new ATOM 0 HA ILE A 24 -24.296 1.214 2.940 1.00 0.00 H new ATOM 0 HB ILE A 24 -24.276 4.228 3.291 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -26.174 3.466 4.918 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -25.482 1.866 4.736 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -26.681 4.222 2.765 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -25.700 3.740 1.361 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -26.573 2.508 2.302 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -24.593 2.985 6.722 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -23.300 2.706 5.531 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -24.003 4.330 5.716 1.00 0.00 H new ATOM 316 N GLU A 25 -24.716 1.754 0.474 1.00 0.00 N ATOM 317 CA GLU A 25 -24.728 1.832 -0.982 1.00 0.00 C ATOM 318 C GLU A 25 -24.764 3.284 -1.449 1.00 0.00 C ATOM 319 O GLU A 25 -25.507 4.103 -0.911 1.00 0.00 O ATOM 320 CB GLU A 25 -25.933 1.074 -1.545 1.00 0.00 C ATOM 321 CG GLU A 25 -26.084 1.204 -3.051 1.00 0.00 C ATOM 322 CD GLU A 25 -26.860 2.442 -3.455 1.00 0.00 C ATOM 323 OE1 GLU A 25 -27.600 2.982 -2.607 1.00 0.00 O ATOM 324 OE2 GLU A 25 -26.727 2.871 -4.621 1.00 0.00 O ATOM 0 H GLU A 25 -25.480 1.210 0.874 1.00 0.00 H new ATOM 0 HA GLU A 25 -23.812 1.372 -1.353 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -25.841 0.019 -1.287 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -26.840 1.441 -1.064 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -25.096 1.233 -3.510 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -26.590 0.320 -3.439 1.00 0.00 H new ATOM 331 N GLY A 26 -23.952 3.596 -2.455 1.00 0.00 N ATOM 332 CA GLY A 26 -23.905 4.949 -2.978 1.00 0.00 C ATOM 333 C GLY A 26 -22.858 5.801 -2.288 1.00 0.00 C ATOM 334 O GLY A 26 -22.376 6.782 -2.854 1.00 0.00 O ATOM 0 H GLY A 26 -23.326 2.936 -2.917 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -23.695 4.915 -4.047 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -24.883 5.415 -2.860 1.00 0.00 H new ATOM 338 N GLN A 27 -22.506 5.426 -1.062 1.00 0.00 N ATOM 339 CA GLN A 27 -21.511 6.165 -0.294 1.00 0.00 C ATOM 340 C GLN A 27 -20.117 5.971 -0.881 1.00 0.00 C ATOM 341 O GLN A 27 -19.913 5.130 -1.757 1.00 0.00 O ATOM 342 CB GLN A 27 -21.529 5.717 1.168 1.00 0.00 C ATOM 343 CG GLN A 27 -22.769 6.164 1.926 1.00 0.00 C ATOM 344 CD GLN A 27 -22.742 7.640 2.271 1.00 0.00 C ATOM 345 OE1 GLN A 27 -22.436 8.481 1.425 1.00 0.00 O ATOM 346 NE2 GLN A 27 -23.063 7.963 3.518 1.00 0.00 N ATOM 0 H GLN A 27 -22.895 4.616 -0.580 1.00 0.00 H new ATOM 0 HA GLN A 27 -21.762 7.224 -0.345 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -21.462 4.630 1.207 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -20.645 6.109 1.671 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -23.653 5.951 1.326 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -22.859 5.582 2.843 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -23.310 7.233 4.186 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -23.062 8.941 3.808 1.00 0.00 H new ATOM 355 N ASP A 28 -19.161 6.754 -0.392 1.00 0.00 N ATOM 356 CA ASP A 28 -17.785 6.667 -0.868 1.00 0.00 C ATOM 357 C ASP A 28 -16.841 6.285 0.268 1.00 0.00 C ATOM 358 O ASP A 28 -16.819 6.933 1.315 1.00 0.00 O ATOM 359 CB ASP A 28 -17.351 7.998 -1.483 1.00 0.00 C ATOM 360 CG ASP A 28 -17.470 9.153 -0.508 1.00 0.00 C ATOM 361 OD1 ASP A 28 -18.605 9.625 -0.283 1.00 0.00 O ATOM 362 OD2 ASP A 28 -16.430 9.584 0.032 1.00 0.00 O ATOM 0 H ASP A 28 -19.313 7.455 0.333 1.00 0.00 H new ATOM 0 HA ASP A 28 -17.738 5.891 -1.632 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -16.318 7.918 -1.823 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -17.961 8.205 -2.362 1.00 0.00 H new ATOM 367 N PHE A 29 -16.062 5.230 0.054 1.00 0.00 N ATOM 368 CA PHE A 29 -15.117 4.760 1.061 1.00 0.00 C ATOM 369 C PHE A 29 -13.696 4.741 0.506 1.00 0.00 C ATOM 370 O PHE A 29 -13.478 4.423 -0.663 1.00 0.00 O ATOM 371 CB PHE A 29 -15.507 3.361 1.543 1.00 0.00 C ATOM 372 CG PHE A 29 -15.229 2.281 0.537 1.00 0.00 C ATOM 373 CD1 PHE A 29 -13.933 1.850 0.304 1.00 0.00 C ATOM 374 CD2 PHE A 29 -16.264 1.696 -0.174 1.00 0.00 C ATOM 375 CE1 PHE A 29 -13.674 0.857 -0.621 1.00 0.00 C ATOM 376 CE2 PHE A 29 -16.011 0.702 -1.101 1.00 0.00 C ATOM 377 CZ PHE A 29 -14.715 0.281 -1.324 1.00 0.00 C ATOM 0 H PHE A 29 -16.066 4.684 -0.808 1.00 0.00 H new ATOM 0 HA PHE A 29 -15.150 5.450 1.904 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -14.965 3.138 2.462 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -16.569 3.353 1.789 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -13.116 2.295 0.852 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -17.280 2.020 -0.002 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.659 0.531 -0.794 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -16.826 0.255 -1.650 1.00 0.00 H new ATOM 0 HZ PHE A 29 -14.515 -0.497 -2.046 1.00 0.00 H new ATOM 387 N VAL A 30 -12.732 5.086 1.353 1.00 0.00 N ATOM 388 CA VAL A 30 -11.331 5.108 0.949 1.00 0.00 C ATOM 389 C VAL A 30 -10.490 4.192 1.830 1.00 0.00 C ATOM 390 O VAL A 30 -10.124 4.553 2.950 1.00 0.00 O ATOM 391 CB VAL A 30 -10.752 6.534 1.010 1.00 0.00 C ATOM 392 CG1 VAL A 30 -9.304 6.544 0.545 1.00 0.00 C ATOM 393 CG2 VAL A 30 -11.595 7.487 0.176 1.00 0.00 C ATOM 0 H VAL A 30 -12.895 5.354 2.323 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.293 4.752 -0.080 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.778 6.873 2.046 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.913 7.560 0.595 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.711 5.894 1.189 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -9.249 6.185 -0.483 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -11.172 8.490 0.230 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.603 7.152 -0.861 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -12.615 7.502 0.561 1.00 0.00 H new ATOM 403 N LEU A 31 -10.186 3.004 1.319 1.00 0.00 N ATOM 404 CA LEU A 31 -9.386 2.034 2.059 1.00 0.00 C ATOM 405 C LEU A 31 -7.979 2.567 2.310 1.00 0.00 C ATOM 406 O LEU A 31 -7.201 2.753 1.375 1.00 0.00 O ATOM 407 CB LEU A 31 -9.315 0.712 1.293 1.00 0.00 C ATOM 408 CG LEU A 31 -10.637 -0.036 1.121 1.00 0.00 C ATOM 409 CD1 LEU A 31 -10.505 -1.115 0.057 1.00 0.00 C ATOM 410 CD2 LEU A 31 -11.084 -0.641 2.444 1.00 0.00 C ATOM 0 H LEU A 31 -10.481 2.689 0.395 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.866 1.863 3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.901 0.910 0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.613 0.055 1.806 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.395 0.676 0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.456 -1.637 -0.052 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.232 -0.657 -0.894 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.733 -1.825 0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.027 -1.170 2.302 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.326 -1.339 2.799 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.220 0.152 3.179 1.00 0.00 H new ATOM 422 N GLN A 32 -7.660 2.807 3.577 1.00 0.00 N ATOM 423 CA GLN A 32 -6.345 3.316 3.950 1.00 0.00 C ATOM 424 C GLN A 32 -5.542 2.255 4.695 1.00 0.00 C ATOM 425 O GLN A 32 -6.030 1.650 5.650 1.00 0.00 O ATOM 426 CB GLN A 32 -6.487 4.568 4.818 1.00 0.00 C ATOM 427 CG GLN A 32 -5.171 5.285 5.071 1.00 0.00 C ATOM 428 CD GLN A 32 -5.318 6.455 6.024 1.00 0.00 C ATOM 429 OE1 GLN A 32 -6.280 6.531 6.788 1.00 0.00 O ATOM 430 NE2 GLN A 32 -4.362 7.376 5.983 1.00 0.00 N ATOM 0 H GLN A 32 -8.293 2.658 4.363 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.811 3.575 3.036 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.180 5.258 4.336 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.929 4.289 5.775 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.449 4.578 5.479 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.768 5.642 4.123 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -3.582 7.273 5.334 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -4.408 8.186 6.601 1.00 0.00 H new ATOM 439 N CYS A 33 -4.309 2.034 4.252 1.00 0.00 N ATOM 440 CA CYS A 33 -3.438 1.045 4.876 1.00 0.00 C ATOM 441 C CYS A 33 -1.991 1.529 4.895 1.00 0.00 C ATOM 442 O CYS A 33 -1.582 2.325 4.050 1.00 0.00 O ATOM 443 CB CYS A 33 -3.532 -0.289 4.134 1.00 0.00 C ATOM 444 SG CYS A 33 -2.971 -0.220 2.417 1.00 0.00 S ATOM 0 H CYS A 33 -3.890 2.527 3.463 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.769 0.904 5.905 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.940 -1.032 4.669 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.567 -0.631 4.153 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.087 -1.396 1.875 1.00 0.00 H new ATOM 450 N SER A 34 -1.223 1.044 5.865 1.00 0.00 N ATOM 451 CA SER A 34 0.176 1.432 5.998 1.00 0.00 C ATOM 452 C SER A 34 1.096 0.327 5.486 1.00 0.00 C ATOM 453 O SER A 34 1.050 -0.807 5.963 1.00 0.00 O ATOM 454 CB SER A 34 0.504 1.748 7.458 1.00 0.00 C ATOM 455 OG SER A 34 -0.410 2.688 7.994 1.00 0.00 O ATOM 0 H SER A 34 -1.546 0.382 6.570 1.00 0.00 H new ATOM 0 HA SER A 34 0.338 2.326 5.396 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.475 0.831 8.047 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.518 2.141 7.529 1.00 0.00 H new ATOM 0 HG SER A 34 -0.180 2.872 8.929 1.00 0.00 H new ATOM 461 N VAL A 35 1.933 0.668 4.511 1.00 0.00 N ATOM 462 CA VAL A 35 2.866 -0.293 3.934 1.00 0.00 C ATOM 463 C VAL A 35 4.281 0.271 3.892 1.00 0.00 C ATOM 464 O VAL A 35 4.495 1.407 3.468 1.00 0.00 O ATOM 465 CB VAL A 35 2.444 -0.697 2.508 1.00 0.00 C ATOM 466 CG1 VAL A 35 2.207 0.537 1.651 1.00 0.00 C ATOM 467 CG2 VAL A 35 3.495 -1.599 1.878 1.00 0.00 C ATOM 0 H VAL A 35 1.984 1.602 4.104 1.00 0.00 H new ATOM 0 HA VAL A 35 2.849 -1.175 4.575 1.00 0.00 H new ATOM 0 HB VAL A 35 1.508 -1.253 2.568 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.910 0.232 0.648 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.417 1.142 2.095 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.124 1.123 1.595 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.181 -1.875 0.871 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.447 -1.070 1.829 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.611 -2.499 2.482 1.00 0.00 H new ATOM 477 N ARG A 36 5.245 -0.530 4.336 1.00 0.00 N ATOM 478 CA ARG A 36 6.641 -0.110 4.350 1.00 0.00 C ATOM 479 C ARG A 36 7.426 -0.794 3.236 1.00 0.00 C ATOM 480 O ARG A 36 6.873 -1.575 2.462 1.00 0.00 O ATOM 481 CB ARG A 36 7.277 -0.426 5.705 1.00 0.00 C ATOM 482 CG ARG A 36 6.631 -1.601 6.421 1.00 0.00 C ATOM 483 CD ARG A 36 7.254 -1.829 7.790 1.00 0.00 C ATOM 484 NE ARG A 36 8.584 -2.424 7.693 1.00 0.00 N ATOM 485 CZ ARG A 36 9.695 -1.717 7.518 1.00 0.00 C ATOM 486 NH1 ARG A 36 9.635 -0.396 7.422 1.00 0.00 N ATOM 487 NH2 ARG A 36 10.868 -2.331 7.440 1.00 0.00 N ATOM 0 H ARG A 36 5.084 -1.473 4.691 1.00 0.00 H new ATOM 0 HA ARG A 36 6.672 0.967 4.184 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.336 -0.638 5.559 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.213 0.456 6.342 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.562 -1.418 6.532 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.739 -2.501 5.816 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.319 -0.880 8.321 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.608 -2.480 8.379 1.00 0.00 H new ATOM 0 HE ARG A 36 8.664 -3.438 7.763 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.735 0.079 7.483 1.00 0.00 H new ATOM 0 HH12 ARG A 36 10.489 0.145 7.288 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.918 -3.347 7.514 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.720 -1.787 7.306 1.00 0.00 H new ATOM 501 N GLY A 37 8.720 -0.496 3.160 1.00 0.00 N ATOM 502 CA GLY A 37 9.560 -1.090 2.137 1.00 0.00 C ATOM 503 C GLY A 37 10.382 -0.059 1.390 1.00 0.00 C ATOM 504 O GLY A 37 10.131 1.142 1.497 1.00 0.00 O ATOM 0 H GLY A 37 9.201 0.147 3.789 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.228 -1.818 2.597 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.935 -1.634 1.429 1.00 0.00 H new ATOM 508 N THR A 38 11.369 -0.526 0.632 1.00 0.00 N ATOM 509 CA THR A 38 12.233 0.364 -0.133 1.00 0.00 C ATOM 510 C THR A 38 13.009 -0.404 -1.197 1.00 0.00 C ATOM 511 O THR A 38 13.705 -1.378 -0.911 1.00 0.00 O ATOM 512 CB THR A 38 13.229 1.102 0.781 1.00 0.00 C ATOM 513 OG1 THR A 38 12.526 1.773 1.832 1.00 0.00 O ATOM 514 CG2 THR A 38 14.048 2.109 -0.013 1.00 0.00 C ATOM 0 H THR A 38 11.590 -1.517 0.532 1.00 0.00 H new ATOM 0 HA THR A 38 11.585 1.095 -0.617 1.00 0.00 H new ATOM 0 HB THR A 38 13.907 0.365 1.212 1.00 0.00 H new ATOM 0 HG1 THR A 38 11.608 1.959 1.544 1.00 0.00 H new ATOM 0 HG21 THR A 38 14.744 2.618 0.653 1.00 0.00 H new ATOM 0 HG22 THR A 38 14.605 1.590 -0.793 1.00 0.00 H new ATOM 0 HG23 THR A 38 13.382 2.841 -0.469 1.00 0.00 H new ATOM 522 N PRO A 39 12.888 0.043 -2.456 1.00 0.00 N ATOM 523 CA PRO A 39 12.061 1.201 -2.809 1.00 0.00 C ATOM 524 C PRO A 39 10.571 0.915 -2.664 1.00 0.00 C ATOM 525 O PRO A 39 10.170 -0.215 -2.385 1.00 0.00 O ATOM 526 CB PRO A 39 12.417 1.457 -4.276 1.00 0.00 C ATOM 527 CG PRO A 39 12.877 0.136 -4.790 1.00 0.00 C ATOM 528 CD PRO A 39 13.549 -0.547 -3.632 1.00 0.00 C ATOM 0 HA PRO A 39 12.251 2.052 -2.155 1.00 0.00 H new ATOM 0 HB2 PRO A 39 11.555 1.821 -4.835 1.00 0.00 H new ATOM 0 HB3 PRO A 39 13.198 2.212 -4.368 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.037 -0.454 -5.157 1.00 0.00 H new ATOM 0 HG3 PRO A 39 13.568 0.261 -5.624 1.00 0.00 H new ATOM 0 HD2 PRO A 39 13.413 -1.628 -3.669 1.00 0.00 H new ATOM 0 HD3 PRO A 39 14.623 -0.361 -3.624 1.00 0.00 H new ATOM 536 N VAL A 40 9.754 1.946 -2.856 1.00 0.00 N ATOM 537 CA VAL A 40 8.306 1.805 -2.749 1.00 0.00 C ATOM 538 C VAL A 40 7.804 0.640 -3.594 1.00 0.00 C ATOM 539 O VAL A 40 7.990 0.596 -4.810 1.00 0.00 O ATOM 540 CB VAL A 40 7.583 3.092 -3.186 1.00 0.00 C ATOM 541 CG1 VAL A 40 6.075 2.887 -3.175 1.00 0.00 C ATOM 542 CG2 VAL A 40 7.977 4.256 -2.290 1.00 0.00 C ATOM 0 H VAL A 40 10.070 2.888 -3.086 1.00 0.00 H new ATOM 0 HA VAL A 40 8.083 1.611 -1.700 1.00 0.00 H new ATOM 0 HB VAL A 40 7.887 3.330 -4.205 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.580 3.807 -3.487 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.812 2.083 -3.862 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.751 2.624 -2.168 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.456 5.157 -2.614 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.704 4.030 -1.259 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.053 4.416 -2.354 1.00 0.00 H new ATOM 552 N PRO A 41 7.149 -0.329 -2.936 1.00 0.00 N ATOM 553 CA PRO A 41 6.604 -1.513 -3.607 1.00 0.00 C ATOM 554 C PRO A 41 5.413 -1.177 -4.498 1.00 0.00 C ATOM 555 O PRO A 41 4.708 -0.195 -4.264 1.00 0.00 O ATOM 556 CB PRO A 41 6.168 -2.410 -2.446 1.00 0.00 C ATOM 557 CG PRO A 41 5.910 -1.471 -1.319 1.00 0.00 C ATOM 558 CD PRO A 41 6.890 -0.343 -1.486 1.00 0.00 C ATOM 0 HA PRO A 41 7.333 -1.977 -4.271 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.274 -2.979 -2.700 1.00 0.00 H new ATOM 0 HB3 PRO A 41 6.944 -3.132 -2.190 1.00 0.00 H new ATOM 0 HG2 PRO A 41 4.884 -1.103 -1.345 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.047 -1.968 -0.358 1.00 0.00 H new ATOM 0 HD2 PRO A 41 6.475 0.604 -1.143 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.803 -0.516 -0.916 1.00 0.00 H new ATOM 566 N ARG A 42 5.193 -1.999 -5.519 1.00 0.00 N ATOM 567 CA ARG A 42 4.087 -1.788 -6.445 1.00 0.00 C ATOM 568 C ARG A 42 2.747 -1.997 -5.747 1.00 0.00 C ATOM 569 O ARG A 42 2.479 -3.069 -5.204 1.00 0.00 O ATOM 570 CB ARG A 42 4.206 -2.737 -7.639 1.00 0.00 C ATOM 571 CG ARG A 42 5.056 -2.187 -8.773 1.00 0.00 C ATOM 572 CD ARG A 42 6.505 -2.010 -8.347 1.00 0.00 C ATOM 573 NE ARG A 42 6.742 -0.702 -7.743 1.00 0.00 N ATOM 574 CZ ARG A 42 6.789 0.430 -8.436 1.00 0.00 C ATOM 575 NH1 ARG A 42 6.616 0.415 -9.750 1.00 0.00 N ATOM 576 NH2 ARG A 42 7.010 1.582 -7.814 1.00 0.00 N ATOM 0 H ARG A 42 5.766 -2.817 -5.726 1.00 0.00 H new ATOM 0 HA ARG A 42 4.135 -0.759 -6.801 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.634 -3.681 -7.301 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.208 -2.957 -8.018 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.007 -2.862 -9.627 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.652 -1.229 -9.100 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.772 -2.791 -7.635 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.155 -2.132 -9.213 1.00 0.00 H new ATOM 0 HE ARG A 42 6.879 -0.655 -6.733 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.446 -0.468 -10.232 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.653 1.286 -10.279 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.144 1.598 -6.803 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.046 2.451 -8.347 1.00 0.00 H new ATOM 590 N ILE A 43 1.909 -0.966 -5.766 1.00 0.00 N ATOM 591 CA ILE A 43 0.597 -1.037 -5.136 1.00 0.00 C ATOM 592 C ILE A 43 -0.468 -1.482 -6.132 1.00 0.00 C ATOM 593 O ILE A 43 -0.894 -0.709 -6.991 1.00 0.00 O ATOM 594 CB ILE A 43 0.186 0.321 -4.535 1.00 0.00 C ATOM 595 CG1 ILE A 43 1.310 0.876 -3.658 1.00 0.00 C ATOM 596 CG2 ILE A 43 -1.098 0.179 -3.733 1.00 0.00 C ATOM 597 CD1 ILE A 43 1.780 -0.092 -2.594 1.00 0.00 C ATOM 0 H ILE A 43 2.116 -0.072 -6.211 1.00 0.00 H new ATOM 0 HA ILE A 43 0.672 -1.772 -4.335 1.00 0.00 H new ATOM 0 HB ILE A 43 0.006 1.022 -5.350 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.155 1.145 -4.292 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.967 1.792 -3.178 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.375 1.147 -3.315 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.896 -0.177 -4.384 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.945 -0.535 -2.924 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.577 0.368 -2.010 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.947 -0.343 -1.937 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.154 -1.000 -3.068 1.00 0.00 H new ATOM 609 N THR A 44 -0.897 -2.735 -6.011 1.00 0.00 N ATOM 610 CA THR A 44 -1.913 -3.284 -6.900 1.00 0.00 C ATOM 611 C THR A 44 -3.038 -3.941 -6.109 1.00 0.00 C ATOM 612 O THR A 44 -2.814 -4.904 -5.376 1.00 0.00 O ATOM 613 CB THR A 44 -1.311 -4.318 -7.870 1.00 0.00 C ATOM 614 OG1 THR A 44 -0.275 -3.712 -8.651 1.00 0.00 O ATOM 615 CG2 THR A 44 -2.382 -4.884 -8.790 1.00 0.00 C ATOM 0 H THR A 44 -0.556 -3.388 -5.306 1.00 0.00 H new ATOM 0 HA THR A 44 -2.315 -2.449 -7.474 1.00 0.00 H new ATOM 0 HB THR A 44 -0.891 -5.134 -7.282 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.104 -4.376 -9.264 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.933 -5.612 -9.466 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.154 -5.370 -8.194 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.827 -4.076 -9.371 1.00 0.00 H new ATOM 623 N TRP A 45 -4.248 -3.415 -6.263 1.00 0.00 N ATOM 624 CA TRP A 45 -5.410 -3.952 -5.563 1.00 0.00 C ATOM 625 C TRP A 45 -6.122 -4.999 -6.413 1.00 0.00 C ATOM 626 O TRP A 45 -6.207 -4.868 -7.635 1.00 0.00 O ATOM 627 CB TRP A 45 -6.379 -2.826 -5.201 1.00 0.00 C ATOM 628 CG TRP A 45 -5.745 -1.734 -4.393 1.00 0.00 C ATOM 629 CD1 TRP A 45 -4.788 -0.854 -4.812 1.00 0.00 C ATOM 630 CD2 TRP A 45 -6.022 -1.408 -3.027 1.00 0.00 C ATOM 631 NE1 TRP A 45 -4.454 -0.001 -3.789 1.00 0.00 N ATOM 632 CE2 TRP A 45 -5.197 -0.319 -2.683 1.00 0.00 C ATOM 633 CE3 TRP A 45 -6.888 -1.928 -2.062 1.00 0.00 C ATOM 634 CZ2 TRP A 45 -5.214 0.256 -1.415 1.00 0.00 C ATOM 635 CZ3 TRP A 45 -6.903 -1.357 -0.803 1.00 0.00 C ATOM 636 CH2 TRP A 45 -6.071 -0.274 -0.489 1.00 0.00 C ATOM 0 H TRP A 45 -4.450 -2.618 -6.866 1.00 0.00 H new ATOM 0 HA TRP A 45 -5.062 -4.430 -4.647 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -6.788 -2.400 -6.117 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -7.217 -3.243 -4.642 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -4.357 -0.832 -5.802 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -3.764 0.748 -3.844 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -7.534 -2.761 -2.295 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -4.574 1.091 -1.171 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -7.567 -1.752 -0.049 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -6.107 0.151 0.503 1.00 0.00 H new ATOM 647 N LEU A 46 -6.632 -6.037 -5.760 1.00 0.00 N ATOM 648 CA LEU A 46 -7.338 -7.107 -6.457 1.00 0.00 C ATOM 649 C LEU A 46 -8.639 -7.457 -5.742 1.00 0.00 C ATOM 650 O LEU A 46 -8.663 -7.624 -4.522 1.00 0.00 O ATOM 651 CB LEU A 46 -6.449 -8.348 -6.560 1.00 0.00 C ATOM 652 CG LEU A 46 -5.159 -8.185 -7.364 1.00 0.00 C ATOM 653 CD1 LEU A 46 -4.087 -9.134 -6.851 1.00 0.00 C ATOM 654 CD2 LEU A 46 -5.419 -8.421 -8.845 1.00 0.00 C ATOM 0 H LEU A 46 -6.570 -6.161 -4.749 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.580 -6.756 -7.460 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.187 -8.667 -5.551 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.033 -9.152 -7.007 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.802 -7.163 -7.237 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.176 -9.004 -7.435 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.880 -8.917 -5.803 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.435 -10.162 -6.947 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.489 -8.301 -9.401 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.801 -9.431 -8.991 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.153 -7.700 -9.205 1.00 0.00 H new ATOM 666 N LEU A 47 -9.718 -7.568 -6.509 1.00 0.00 N ATOM 667 CA LEU A 47 -11.023 -7.901 -5.949 1.00 0.00 C ATOM 668 C LEU A 47 -11.545 -9.212 -6.527 1.00 0.00 C ATOM 669 O LEU A 47 -11.650 -9.368 -7.743 1.00 0.00 O ATOM 670 CB LEU A 47 -12.021 -6.775 -6.226 1.00 0.00 C ATOM 671 CG LEU A 47 -13.485 -7.083 -5.909 1.00 0.00 C ATOM 672 CD1 LEU A 47 -13.750 -6.942 -4.418 1.00 0.00 C ATOM 673 CD2 LEU A 47 -14.406 -6.169 -6.705 1.00 0.00 C ATOM 0 H LEU A 47 -9.715 -7.432 -7.520 1.00 0.00 H new ATOM 0 HA LEU A 47 -10.909 -8.020 -4.872 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -11.721 -5.901 -5.648 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -11.948 -6.502 -7.279 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.690 -8.114 -6.197 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -14.797 -7.165 -4.212 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -13.116 -7.637 -3.868 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -13.528 -5.922 -4.104 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -15.444 -6.402 -6.467 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -14.199 -5.130 -6.448 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.235 -6.320 -7.771 1.00 0.00 H new ATOM 685 N ASN A 48 -11.874 -10.152 -5.647 1.00 0.00 N ATOM 686 CA ASN A 48 -12.387 -11.450 -6.070 1.00 0.00 C ATOM 687 C ASN A 48 -11.389 -12.160 -6.978 1.00 0.00 C ATOM 688 O ASN A 48 -11.773 -12.918 -7.868 1.00 0.00 O ATOM 689 CB ASN A 48 -13.724 -11.281 -6.796 1.00 0.00 C ATOM 690 CG ASN A 48 -14.907 -11.343 -5.850 1.00 0.00 C ATOM 691 OD1 ASN A 48 -15.091 -10.290 -5.063 1.00 0.00 O flip ATOM 692 ND2 ASN A 48 -15.647 -12.327 -5.828 1.00 0.00 N flip ATOM 0 H ASN A 48 -11.794 -10.039 -4.636 1.00 0.00 H new ATOM 0 HA ASN A 48 -12.539 -12.060 -5.180 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -13.731 -10.326 -7.320 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -13.825 -12.060 -7.552 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -15.467 -13.114 -6.451 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -16.440 -12.355 -5.187 1.00 0.00 H new ATOM 699 N GLY A 49 -10.103 -11.909 -6.747 1.00 0.00 N ATOM 700 CA GLY A 49 -9.069 -12.533 -7.551 1.00 0.00 C ATOM 701 C GLY A 49 -8.952 -11.910 -8.928 1.00 0.00 C ATOM 702 O GLY A 49 -8.662 -12.600 -9.905 1.00 0.00 O ATOM 0 H GLY A 49 -9.760 -11.285 -6.017 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.112 -12.450 -7.035 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.285 -13.596 -7.654 1.00 0.00 H new ATOM 706 N GLN A 50 -9.180 -10.602 -9.006 1.00 0.00 N ATOM 707 CA GLN A 50 -9.100 -9.888 -10.275 1.00 0.00 C ATOM 708 C GLN A 50 -8.586 -8.467 -10.068 1.00 0.00 C ATOM 709 O GLN A 50 -8.931 -7.791 -9.099 1.00 0.00 O ATOM 710 CB GLN A 50 -10.472 -9.853 -10.951 1.00 0.00 C ATOM 711 CG GLN A 50 -11.050 -11.232 -11.225 1.00 0.00 C ATOM 712 CD GLN A 50 -10.527 -11.840 -12.511 1.00 0.00 C ATOM 713 OE1 GLN A 50 -10.533 -11.199 -13.562 1.00 0.00 O ATOM 714 NE2 GLN A 50 -10.070 -13.085 -12.435 1.00 0.00 N ATOM 0 H GLN A 50 -9.421 -10.016 -8.206 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.398 -10.419 -10.919 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -11.165 -9.297 -10.320 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.391 -9.309 -11.892 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -10.812 -11.893 -10.392 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -12.137 -11.162 -11.276 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -10.084 -13.580 -11.543 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.705 -13.546 -13.269 1.00 0.00 H new ATOM 723 N PRO A 51 -7.740 -8.002 -10.999 1.00 0.00 N ATOM 724 CA PRO A 51 -7.161 -6.657 -10.941 1.00 0.00 C ATOM 725 C PRO A 51 -8.196 -5.567 -11.197 1.00 0.00 C ATOM 726 O PRO A 51 -9.019 -5.682 -12.105 1.00 0.00 O ATOM 727 CB PRO A 51 -6.114 -6.673 -12.058 1.00 0.00 C ATOM 728 CG PRO A 51 -6.597 -7.707 -13.014 1.00 0.00 C ATOM 729 CD PRO A 51 -7.285 -8.753 -12.181 1.00 0.00 C ATOM 0 HA PRO A 51 -6.751 -6.433 -9.956 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -6.032 -5.698 -12.538 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -5.126 -6.922 -11.671 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.283 -7.275 -13.742 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.767 -8.138 -13.574 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.120 -9.207 -12.715 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.605 -9.560 -11.907 1.00 0.00 H new ATOM 737 N ILE A 52 -8.150 -4.512 -10.391 1.00 0.00 N ATOM 738 CA ILE A 52 -9.084 -3.402 -10.532 1.00 0.00 C ATOM 739 C ILE A 52 -8.569 -2.374 -11.534 1.00 0.00 C ATOM 740 O ILE A 52 -7.477 -1.829 -11.373 1.00 0.00 O ATOM 741 CB ILE A 52 -9.337 -2.704 -9.183 1.00 0.00 C ATOM 742 CG1 ILE A 52 -9.517 -3.742 -8.073 1.00 0.00 C ATOM 743 CG2 ILE A 52 -10.558 -1.801 -9.274 1.00 0.00 C ATOM 744 CD1 ILE A 52 -9.647 -3.135 -6.693 1.00 0.00 C ATOM 0 H ILE A 52 -7.476 -4.402 -9.633 1.00 0.00 H new ATOM 0 HA ILE A 52 -10.021 -3.823 -10.896 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.471 -2.088 -8.942 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -10.405 -4.338 -8.284 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.666 -4.424 -8.083 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.724 -1.315 -8.313 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -10.394 -1.043 -10.040 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -11.433 -2.397 -9.535 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -9.772 -3.929 -5.957 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.749 -2.563 -6.461 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -10.514 -2.475 -6.666 1.00 0.00 H new ATOM 756 N GLN A 53 -9.363 -2.114 -12.568 1.00 0.00 N ATOM 757 CA GLN A 53 -8.987 -1.151 -13.596 1.00 0.00 C ATOM 758 C GLN A 53 -9.323 0.271 -13.158 1.00 0.00 C ATOM 759 O GLN A 53 -8.485 1.170 -13.235 1.00 0.00 O ATOM 760 CB GLN A 53 -9.699 -1.473 -14.911 1.00 0.00 C ATOM 761 CG GLN A 53 -9.116 -2.674 -15.639 1.00 0.00 C ATOM 762 CD GLN A 53 -9.170 -3.942 -14.809 1.00 0.00 C ATOM 763 OE1 GLN A 53 -10.298 -4.641 -14.870 1.00 0.00 O flip ATOM 764 NE2 GLN A 53 -8.210 -4.289 -14.122 1.00 0.00 N flip ATOM 0 H GLN A 53 -10.270 -2.557 -12.716 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.910 -1.221 -13.747 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.754 -1.658 -14.708 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -9.649 -0.602 -15.565 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.662 -2.830 -16.570 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.081 -2.464 -15.908 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.363 -3.721 -14.105 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -8.261 -5.145 -13.569 1.00 0.00 H new ATOM 773 N TYR A 54 -10.554 0.469 -12.698 1.00 0.00 N ATOM 774 CA TYR A 54 -11.001 1.782 -12.250 1.00 0.00 C ATOM 775 C TYR A 54 -10.590 2.033 -10.803 1.00 0.00 C ATOM 776 O TYR A 54 -11.368 2.559 -10.007 1.00 0.00 O ATOM 777 CB TYR A 54 -12.520 1.902 -12.389 1.00 0.00 C ATOM 778 CG TYR A 54 -13.269 0.679 -11.909 1.00 0.00 C ATOM 779 CD1 TYR A 54 -13.434 -0.427 -12.733 1.00 0.00 C ATOM 780 CD2 TYR A 54 -13.813 0.632 -10.631 1.00 0.00 C ATOM 781 CE1 TYR A 54 -14.119 -1.545 -12.298 1.00 0.00 C ATOM 782 CE2 TYR A 54 -14.499 -0.483 -10.188 1.00 0.00 C ATOM 783 CZ TYR A 54 -14.649 -1.569 -11.025 1.00 0.00 C ATOM 784 OH TYR A 54 -15.331 -2.681 -10.588 1.00 0.00 O ATOM 0 H TYR A 54 -11.260 -0.264 -12.626 1.00 0.00 H new ATOM 0 HA TYR A 54 -10.525 2.534 -12.879 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -12.861 2.771 -11.826 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -12.768 2.083 -13.435 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -13.020 -0.413 -13.730 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -13.698 1.481 -9.973 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -14.239 -2.396 -12.952 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -14.915 -0.504 -9.192 1.00 0.00 H new ATOM 0 HH TYR A 54 -15.639 -2.536 -9.669 1.00 0.00 H new ATOM 794 N ALA A 55 -9.361 1.654 -10.469 1.00 0.00 N ATOM 795 CA ALA A 55 -8.844 1.840 -9.119 1.00 0.00 C ATOM 796 C ALA A 55 -7.959 3.079 -9.036 1.00 0.00 C ATOM 797 O ALA A 55 -6.770 3.027 -9.352 1.00 0.00 O ATOM 798 CB ALA A 55 -8.071 0.607 -8.675 1.00 0.00 C ATOM 0 H ALA A 55 -8.705 1.216 -11.115 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.692 1.985 -8.449 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.691 0.760 -7.665 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.731 -0.260 -8.687 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.236 0.436 -9.355 1.00 0.00 H new ATOM 804 N ARG A 56 -8.547 4.192 -8.609 1.00 0.00 N ATOM 805 CA ARG A 56 -7.811 5.445 -8.486 1.00 0.00 C ATOM 806 C ARG A 56 -7.001 5.476 -7.194 1.00 0.00 C ATOM 807 O ARG A 56 -7.013 6.467 -6.465 1.00 0.00 O ATOM 808 CB ARG A 56 -8.775 6.633 -8.524 1.00 0.00 C ATOM 809 CG ARG A 56 -9.585 6.719 -9.807 1.00 0.00 C ATOM 810 CD ARG A 56 -10.399 8.002 -9.867 1.00 0.00 C ATOM 811 NE ARG A 56 -11.620 7.914 -9.071 1.00 0.00 N ATOM 812 CZ ARG A 56 -12.488 8.911 -8.943 1.00 0.00 C ATOM 813 NH1 ARG A 56 -12.270 10.066 -9.557 1.00 0.00 N ATOM 814 NH2 ARG A 56 -13.576 8.754 -8.201 1.00 0.00 N ATOM 0 H ARG A 56 -9.530 4.252 -8.343 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.122 5.516 -9.328 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.458 6.563 -7.677 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.207 7.555 -8.400 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.915 6.671 -10.665 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.252 5.860 -9.876 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.792 8.833 -9.509 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.657 8.219 -10.903 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.817 7.038 -8.586 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.434 10.190 -10.129 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.938 10.831 -9.457 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -13.747 7.867 -7.728 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -14.242 9.521 -8.104 1.00 0.00 H new ATOM 828 N SER A 57 -6.297 4.382 -6.917 1.00 0.00 N ATOM 829 CA SER A 57 -5.484 4.282 -5.711 1.00 0.00 C ATOM 830 C SER A 57 -4.372 5.327 -5.717 1.00 0.00 C ATOM 831 O SER A 57 -3.936 5.782 -6.775 1.00 0.00 O ATOM 832 CB SER A 57 -4.882 2.880 -5.592 1.00 0.00 C ATOM 833 OG SER A 57 -4.079 2.573 -6.718 1.00 0.00 O ATOM 0 H SER A 57 -6.274 3.553 -7.511 1.00 0.00 H new ATOM 0 HA SER A 57 -6.128 4.468 -4.851 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.282 2.814 -4.685 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.681 2.144 -5.500 1.00 0.00 H new ATOM 0 HG SER A 57 -3.705 1.673 -6.617 1.00 0.00 H new ATOM 839 N THR A 58 -3.916 5.703 -4.526 1.00 0.00 N ATOM 840 CA THR A 58 -2.857 6.695 -4.392 1.00 0.00 C ATOM 841 C THR A 58 -1.936 6.361 -3.223 1.00 0.00 C ATOM 842 O THR A 58 -2.378 6.281 -2.076 1.00 0.00 O ATOM 843 CB THR A 58 -3.433 8.109 -4.189 1.00 0.00 C ATOM 844 OG1 THR A 58 -4.316 8.121 -3.062 1.00 0.00 O ATOM 845 CG2 THR A 58 -4.180 8.571 -5.431 1.00 0.00 C ATOM 0 H THR A 58 -4.264 5.335 -3.641 1.00 0.00 H new ATOM 0 HA THR A 58 -2.285 6.674 -5.320 1.00 0.00 H new ATOM 0 HB THR A 58 -2.604 8.793 -4.007 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.677 9.024 -2.939 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.578 9.572 -5.265 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.497 8.588 -6.281 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.000 7.884 -5.639 1.00 0.00 H new ATOM 853 N CYS A 59 -0.656 6.169 -3.521 1.00 0.00 N ATOM 854 CA CYS A 59 0.327 5.844 -2.493 1.00 0.00 C ATOM 855 C CYS A 59 1.108 7.085 -2.076 1.00 0.00 C ATOM 856 O CYS A 59 1.847 7.662 -2.874 1.00 0.00 O ATOM 857 CB CYS A 59 1.288 4.768 -3.001 1.00 0.00 C ATOM 858 SG CYS A 59 2.221 5.246 -4.474 1.00 0.00 S ATOM 0 H CYS A 59 -0.275 6.233 -4.465 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.206 5.463 -1.622 1.00 0.00 H new ATOM 0 HB2 CYS A 59 1.990 4.518 -2.205 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.720 3.864 -3.221 1.00 0.00 H new ATOM 0 HG CYS A 59 2.418 6.531 -4.465 1.00 0.00 H new ATOM 864 N GLU A 60 0.938 7.492 -0.822 1.00 0.00 N ATOM 865 CA GLU A 60 1.626 8.667 -0.301 1.00 0.00 C ATOM 866 C GLU A 60 2.342 8.342 1.007 1.00 0.00 C ATOM 867 O GLU A 60 1.772 7.719 1.901 1.00 0.00 O ATOM 868 CB GLU A 60 0.634 9.811 -0.081 1.00 0.00 C ATOM 869 CG GLU A 60 0.371 10.636 -1.329 1.00 0.00 C ATOM 870 CD GLU A 60 -0.943 11.391 -1.264 1.00 0.00 C ATOM 871 OE1 GLU A 60 -1.043 12.338 -0.456 1.00 0.00 O ATOM 872 OE2 GLU A 60 -1.871 11.034 -2.019 1.00 0.00 O ATOM 0 H GLU A 60 0.330 7.026 -0.149 1.00 0.00 H new ATOM 0 HA GLU A 60 2.369 8.977 -1.036 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.309 9.399 0.278 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.015 10.465 0.703 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.187 11.345 -1.469 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.366 9.980 -2.199 1.00 0.00 H new ATOM 879 N ALA A 61 3.596 8.770 1.110 1.00 0.00 N ATOM 880 CA ALA A 61 4.391 8.527 2.307 1.00 0.00 C ATOM 881 C ALA A 61 4.141 7.127 2.857 1.00 0.00 C ATOM 882 O ALA A 61 3.900 6.952 4.051 1.00 0.00 O ATOM 883 CB ALA A 61 4.083 9.575 3.367 1.00 0.00 C ATOM 0 H ALA A 61 4.083 9.287 0.378 1.00 0.00 H new ATOM 0 HA ALA A 61 5.444 8.600 2.035 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.684 9.381 4.256 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.319 10.566 2.978 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.025 9.530 3.627 1.00 0.00 H new ATOM 889 N GLY A 62 4.199 6.131 1.977 1.00 0.00 N ATOM 890 CA GLY A 62 3.975 4.759 2.394 1.00 0.00 C ATOM 891 C GLY A 62 2.563 4.528 2.895 1.00 0.00 C ATOM 892 O GLY A 62 2.336 3.689 3.767 1.00 0.00 O ATOM 0 H GLY A 62 4.397 6.250 0.984 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.174 4.091 1.556 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.683 4.502 3.182 1.00 0.00 H new ATOM 896 N VAL A 63 1.612 5.275 2.344 1.00 0.00 N ATOM 897 CA VAL A 63 0.214 5.147 2.740 1.00 0.00 C ATOM 898 C VAL A 63 -0.665 4.794 1.546 1.00 0.00 C ATOM 899 O VAL A 63 -1.119 5.674 0.815 1.00 0.00 O ATOM 900 CB VAL A 63 -0.307 6.446 3.382 1.00 0.00 C ATOM 901 CG1 VAL A 63 -1.756 6.283 3.817 1.00 0.00 C ATOM 902 CG2 VAL A 63 0.570 6.849 4.558 1.00 0.00 C ATOM 0 H VAL A 63 1.784 5.975 1.622 1.00 0.00 H new ATOM 0 HA VAL A 63 0.164 4.342 3.474 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.264 7.241 2.638 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.107 7.211 4.268 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.372 6.046 2.949 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.829 5.475 4.545 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.187 7.769 4.999 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.562 6.057 5.306 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.591 7.010 4.212 1.00 0.00 H new ATOM 912 N ALA A 64 -0.903 3.501 1.355 1.00 0.00 N ATOM 913 CA ALA A 64 -1.731 3.031 0.251 1.00 0.00 C ATOM 914 C ALA A 64 -3.191 3.420 0.456 1.00 0.00 C ATOM 915 O ALA A 64 -3.769 3.161 1.511 1.00 0.00 O ATOM 916 CB ALA A 64 -1.600 1.523 0.098 1.00 0.00 C ATOM 0 H ALA A 64 -0.534 2.760 1.951 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.380 3.509 -0.664 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.224 1.186 -0.730 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.560 1.267 -0.103 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.923 1.035 1.018 1.00 0.00 H new ATOM 922 N GLU A 65 -3.781 4.043 -0.560 1.00 0.00 N ATOM 923 CA GLU A 65 -5.174 4.468 -0.489 1.00 0.00 C ATOM 924 C GLU A 65 -5.942 4.023 -1.729 1.00 0.00 C ATOM 925 O GLU A 65 -5.385 3.947 -2.825 1.00 0.00 O ATOM 926 CB GLU A 65 -5.259 5.989 -0.340 1.00 0.00 C ATOM 927 CG GLU A 65 -4.811 6.494 1.021 1.00 0.00 C ATOM 928 CD GLU A 65 -5.937 6.507 2.037 1.00 0.00 C ATOM 929 OE1 GLU A 65 -6.623 5.473 2.175 1.00 0.00 O ATOM 930 OE2 GLU A 65 -6.131 7.551 2.694 1.00 0.00 O ATOM 0 H GLU A 65 -3.316 4.264 -1.441 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.627 3.999 0.385 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.646 6.456 -1.111 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.287 6.306 -0.515 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.001 5.864 1.390 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.409 7.502 0.916 1.00 0.00 H new ATOM 937 N LEU A 66 -7.225 3.730 -1.550 1.00 0.00 N ATOM 938 CA LEU A 66 -8.072 3.292 -2.654 1.00 0.00 C ATOM 939 C LEU A 66 -9.414 4.018 -2.632 1.00 0.00 C ATOM 940 O LEU A 66 -10.315 3.656 -1.875 1.00 0.00 O ATOM 941 CB LEU A 66 -8.296 1.780 -2.582 1.00 0.00 C ATOM 942 CG LEU A 66 -9.088 1.164 -3.736 1.00 0.00 C ATOM 943 CD1 LEU A 66 -8.288 1.229 -5.027 1.00 0.00 C ATOM 944 CD2 LEU A 66 -9.467 -0.274 -3.413 1.00 0.00 C ATOM 0 H LEU A 66 -7.702 3.788 -0.650 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.564 3.534 -3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.323 1.291 -2.533 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.814 1.553 -1.650 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.004 1.739 -3.872 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.868 0.786 -5.837 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.067 2.269 -5.266 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.355 0.678 -4.905 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.030 -0.697 -4.245 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.563 -0.861 -3.251 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.080 -0.295 -2.512 1.00 0.00 H new ATOM 956 N HIS A 67 -9.540 5.042 -3.470 1.00 0.00 N ATOM 957 CA HIS A 67 -10.773 5.817 -3.549 1.00 0.00 C ATOM 958 C HIS A 67 -11.831 5.073 -4.357 1.00 0.00 C ATOM 959 O HIS A 67 -11.687 4.889 -5.566 1.00 0.00 O ATOM 960 CB HIS A 67 -10.501 7.184 -4.179 1.00 0.00 C ATOM 961 CG HIS A 67 -9.672 8.086 -3.318 1.00 0.00 C ATOM 962 ND1 HIS A 67 -10.008 9.399 -3.061 1.00 0.00 N ATOM 963 CD2 HIS A 67 -8.516 7.858 -2.652 1.00 0.00 C ATOM 964 CE1 HIS A 67 -9.094 9.939 -2.276 1.00 0.00 C ATOM 965 NE2 HIS A 67 -8.178 9.025 -2.012 1.00 0.00 N ATOM 0 H HIS A 67 -8.804 5.354 -4.103 1.00 0.00 H new ATOM 0 HA HIS A 67 -11.149 5.960 -2.536 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -9.995 7.041 -5.134 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -11.452 7.672 -4.392 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.962 6.931 -2.628 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.095 10.956 -1.912 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -7.353 9.163 -1.428 1.00 0.00 H new ATOM 974 N ILE A 68 -12.893 4.646 -3.681 1.00 0.00 N ATOM 975 CA ILE A 68 -13.975 3.923 -4.337 1.00 0.00 C ATOM 976 C ILE A 68 -15.309 4.636 -4.144 1.00 0.00 C ATOM 977 O ILE A 68 -15.961 4.485 -3.112 1.00 0.00 O ATOM 978 CB ILE A 68 -14.094 2.483 -3.803 1.00 0.00 C ATOM 979 CG1 ILE A 68 -12.780 1.727 -4.015 1.00 0.00 C ATOM 980 CG2 ILE A 68 -15.244 1.758 -4.486 1.00 0.00 C ATOM 981 CD1 ILE A 68 -12.405 1.564 -5.471 1.00 0.00 C ATOM 0 H ILE A 68 -13.027 4.788 -2.680 1.00 0.00 H new ATOM 0 HA ILE A 68 -13.734 3.890 -5.399 1.00 0.00 H new ATOM 0 HB ILE A 68 -14.300 2.524 -2.733 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -11.979 2.256 -3.499 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -12.859 0.742 -3.556 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -15.315 0.742 -4.098 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -16.176 2.288 -4.289 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -15.066 1.724 -5.561 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -11.464 1.020 -5.546 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -13.187 1.009 -5.988 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.293 2.546 -5.930 1.00 0.00 H new ATOM 993 N GLN A 69 -15.709 5.411 -5.147 1.00 0.00 N ATOM 994 CA GLN A 69 -16.967 6.147 -5.088 1.00 0.00 C ATOM 995 C GLN A 69 -18.130 5.273 -5.545 1.00 0.00 C ATOM 996 O GLN A 69 -17.941 4.310 -6.288 1.00 0.00 O ATOM 997 CB GLN A 69 -16.887 7.405 -5.954 1.00 0.00 C ATOM 998 CG GLN A 69 -16.613 7.117 -7.421 1.00 0.00 C ATOM 999 CD GLN A 69 -16.279 8.369 -8.209 1.00 0.00 C ATOM 1000 OE1 GLN A 69 -15.987 9.418 -7.635 1.00 0.00 O ATOM 1001 NE2 GLN A 69 -16.320 8.265 -9.532 1.00 0.00 N ATOM 0 H GLN A 69 -15.181 5.546 -6.009 1.00 0.00 H new ATOM 0 HA GLN A 69 -17.141 6.439 -4.052 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -17.824 7.955 -5.869 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -16.101 8.053 -5.567 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -15.786 6.411 -7.501 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -17.486 6.637 -7.862 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -16.567 7.376 -9.966 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -16.104 9.074 -10.114 1.00 0.00 H new ATOM 1010 N ASP A 70 -19.333 5.616 -5.097 1.00 0.00 N ATOM 1011 CA ASP A 70 -20.528 4.864 -5.461 1.00 0.00 C ATOM 1012 C ASP A 70 -20.382 3.394 -5.078 1.00 0.00 C ATOM 1013 O ASP A 70 -20.590 2.504 -5.902 1.00 0.00 O ATOM 1014 CB ASP A 70 -20.798 4.988 -6.961 1.00 0.00 C ATOM 1015 CG ASP A 70 -21.519 6.274 -7.315 1.00 0.00 C ATOM 1016 OD1 ASP A 70 -21.111 7.341 -6.811 1.00 0.00 O ATOM 1017 OD2 ASP A 70 -22.491 6.213 -8.096 1.00 0.00 O ATOM 0 H ASP A 70 -19.506 6.410 -4.481 1.00 0.00 H new ATOM 0 HA ASP A 70 -21.372 5.283 -4.912 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -19.853 4.944 -7.502 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -21.394 4.138 -7.291 1.00 0.00 H new ATOM 1022 N ALA A 71 -20.022 3.148 -3.822 1.00 0.00 N ATOM 1023 CA ALA A 71 -19.849 1.787 -3.330 1.00 0.00 C ATOM 1024 C ALA A 71 -21.137 0.983 -3.474 1.00 0.00 C ATOM 1025 O ALA A 71 -22.013 1.034 -2.609 1.00 0.00 O ATOM 1026 CB ALA A 71 -19.395 1.805 -1.878 1.00 0.00 C ATOM 0 H ALA A 71 -19.845 3.874 -3.127 1.00 0.00 H new ATOM 0 HA ALA A 71 -19.081 1.303 -3.934 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -19.270 0.782 -1.523 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -18.446 2.335 -1.800 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -20.144 2.311 -1.269 1.00 0.00 H new ATOM 1032 N LEU A 72 -21.247 0.243 -4.571 1.00 0.00 N ATOM 1033 CA LEU A 72 -22.430 -0.572 -4.829 1.00 0.00 C ATOM 1034 C LEU A 72 -22.366 -1.885 -4.055 1.00 0.00 C ATOM 1035 O LEU A 72 -21.295 -2.355 -3.669 1.00 0.00 O ATOM 1036 CB LEU A 72 -22.562 -0.855 -6.326 1.00 0.00 C ATOM 1037 CG LEU A 72 -23.158 0.270 -7.172 1.00 0.00 C ATOM 1038 CD1 LEU A 72 -22.773 0.101 -8.634 1.00 0.00 C ATOM 1039 CD2 LEU A 72 -24.671 0.309 -7.019 1.00 0.00 C ATOM 0 H LEU A 72 -20.532 0.190 -5.297 1.00 0.00 H new ATOM 0 HA LEU A 72 -23.305 -0.016 -4.492 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -21.574 -1.093 -6.719 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -23.179 -1.745 -6.454 1.00 0.00 H new ATOM 0 HG LEU A 72 -22.752 1.218 -6.818 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -23.206 0.911 -9.220 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -21.687 0.125 -8.729 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -23.149 -0.854 -9.001 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -25.078 1.116 -7.628 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -25.094 -0.641 -7.345 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -24.927 0.480 -5.973 1.00 0.00 H new ATOM 1051 N PRO A 73 -23.539 -2.493 -3.824 1.00 0.00 N ATOM 1052 CA PRO A 73 -23.642 -3.762 -3.097 1.00 0.00 C ATOM 1053 C PRO A 73 -23.079 -4.934 -3.893 1.00 0.00 C ATOM 1054 O PRO A 73 -23.004 -6.056 -3.393 1.00 0.00 O ATOM 1055 CB PRO A 73 -25.149 -3.930 -2.890 1.00 0.00 C ATOM 1056 CG PRO A 73 -25.773 -3.152 -3.997 1.00 0.00 C ATOM 1057 CD PRO A 73 -24.854 -1.990 -4.255 1.00 0.00 C ATOM 0 HA PRO A 73 -23.069 -3.748 -2.170 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -25.440 -4.980 -2.931 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -25.459 -3.551 -1.916 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -25.886 -3.766 -4.890 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -26.769 -2.808 -3.719 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -24.851 -1.706 -5.307 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -25.152 -1.108 -3.688 1.00 0.00 H new ATOM 1065 N GLU A 74 -22.685 -4.666 -5.134 1.00 0.00 N ATOM 1066 CA GLU A 74 -22.129 -5.700 -5.999 1.00 0.00 C ATOM 1067 C GLU A 74 -20.619 -5.811 -5.812 1.00 0.00 C ATOM 1068 O GLU A 74 -20.023 -6.852 -6.091 1.00 0.00 O ATOM 1069 CB GLU A 74 -22.453 -5.399 -7.464 1.00 0.00 C ATOM 1070 CG GLU A 74 -21.698 -4.203 -8.020 1.00 0.00 C ATOM 1071 CD GLU A 74 -22.005 -3.949 -9.483 1.00 0.00 C ATOM 1072 OE1 GLU A 74 -23.201 -3.903 -9.840 1.00 0.00 O ATOM 1073 OE2 GLU A 74 -21.048 -3.797 -10.272 1.00 0.00 O ATOM 0 H GLU A 74 -22.740 -3.742 -5.563 1.00 0.00 H new ATOM 0 HA GLU A 74 -22.582 -6.652 -5.723 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -22.221 -6.277 -8.067 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -23.524 -5.220 -7.561 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -21.952 -3.316 -7.440 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -20.627 -4.366 -7.900 1.00 0.00 H new ATOM 1080 N ASP A 75 -20.006 -4.731 -5.340 1.00 0.00 N ATOM 1081 CA ASP A 75 -18.565 -4.707 -5.115 1.00 0.00 C ATOM 1082 C ASP A 75 -18.194 -5.524 -3.882 1.00 0.00 C ATOM 1083 O ASP A 75 -17.099 -6.082 -3.801 1.00 0.00 O ATOM 1084 CB ASP A 75 -18.078 -3.266 -4.954 1.00 0.00 C ATOM 1085 CG ASP A 75 -16.565 -3.161 -4.978 1.00 0.00 C ATOM 1086 OD1 ASP A 75 -15.895 -4.173 -4.683 1.00 0.00 O ATOM 1087 OD2 ASP A 75 -16.052 -2.067 -5.293 1.00 0.00 O ATOM 0 H ASP A 75 -20.484 -3.861 -5.106 1.00 0.00 H new ATOM 0 HA ASP A 75 -18.078 -5.152 -5.983 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -18.495 -2.653 -5.753 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -18.453 -2.862 -4.014 1.00 0.00 H new ATOM 1092 N HIS A 76 -19.112 -5.589 -2.923 1.00 0.00 N ATOM 1093 CA HIS A 76 -18.880 -6.338 -1.692 1.00 0.00 C ATOM 1094 C HIS A 76 -18.132 -7.637 -1.979 1.00 0.00 C ATOM 1095 O HIS A 76 -18.713 -8.603 -2.473 1.00 0.00 O ATOM 1096 CB HIS A 76 -20.208 -6.643 -0.998 1.00 0.00 C ATOM 1097 CG HIS A 76 -20.183 -7.899 -0.183 1.00 0.00 C ATOM 1098 ND1 HIS A 76 -20.885 -9.035 -0.528 1.00 0.00 N ATOM 1099 CD2 HIS A 76 -19.533 -8.195 0.967 1.00 0.00 C ATOM 1100 CE1 HIS A 76 -20.669 -9.974 0.375 1.00 0.00 C ATOM 1101 NE2 HIS A 76 -19.852 -9.490 1.293 1.00 0.00 N ATOM 0 H HIS A 76 -20.023 -5.133 -2.974 1.00 0.00 H new ATOM 0 HA HIS A 76 -18.266 -5.724 -1.032 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -20.472 -5.806 -0.352 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -20.992 -6.724 -1.751 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -18.884 -7.535 1.524 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -21.089 -10.969 0.365 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -19.513 -9.996 2.111 1.00 0.00 H new ATOM 1110 N GLY A 77 -16.840 -7.652 -1.668 1.00 0.00 N ATOM 1111 CA GLY A 77 -16.034 -8.836 -1.900 1.00 0.00 C ATOM 1112 C GLY A 77 -14.798 -8.878 -1.024 1.00 0.00 C ATOM 1113 O GLY A 77 -14.868 -8.604 0.175 1.00 0.00 O ATOM 0 H GLY A 77 -16.337 -6.865 -1.259 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -16.637 -9.724 -1.714 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -15.734 -8.868 -2.947 1.00 0.00 H new ATOM 1117 N THR A 78 -13.662 -9.223 -1.621 1.00 0.00 N ATOM 1118 CA THR A 78 -12.406 -9.303 -0.887 1.00 0.00 C ATOM 1119 C THR A 78 -11.294 -8.557 -1.617 1.00 0.00 C ATOM 1120 O THR A 78 -10.888 -8.945 -2.712 1.00 0.00 O ATOM 1121 CB THR A 78 -11.972 -10.765 -0.673 1.00 0.00 C ATOM 1122 OG1 THR A 78 -13.083 -11.543 -0.215 1.00 0.00 O ATOM 1123 CG2 THR A 78 -10.837 -10.850 0.337 1.00 0.00 C ATOM 0 H THR A 78 -13.586 -9.452 -2.612 1.00 0.00 H new ATOM 0 HA THR A 78 -12.577 -8.837 0.083 1.00 0.00 H new ATOM 0 HB THR A 78 -11.620 -11.160 -1.626 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.800 -12.472 -0.083 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.547 -11.892 0.472 1.00 0.00 H new ATOM 0 HG22 THR A 78 -9.982 -10.280 -0.027 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.167 -10.439 1.291 1.00 0.00 H new ATOM 1131 N TYR A 79 -10.805 -7.485 -1.003 1.00 0.00 N ATOM 1132 CA TYR A 79 -9.741 -6.684 -1.595 1.00 0.00 C ATOM 1133 C TYR A 79 -8.369 -7.211 -1.185 1.00 0.00 C ATOM 1134 O TYR A 79 -8.189 -7.712 -0.075 1.00 0.00 O ATOM 1135 CB TYR A 79 -9.883 -5.220 -1.176 1.00 0.00 C ATOM 1136 CG TYR A 79 -10.955 -4.473 -1.936 1.00 0.00 C ATOM 1137 CD1 TYR A 79 -12.272 -4.467 -1.493 1.00 0.00 C ATOM 1138 CD2 TYR A 79 -10.651 -3.773 -3.097 1.00 0.00 C ATOM 1139 CE1 TYR A 79 -13.255 -3.787 -2.186 1.00 0.00 C ATOM 1140 CE2 TYR A 79 -11.628 -3.089 -3.795 1.00 0.00 C ATOM 1141 CZ TYR A 79 -12.928 -3.099 -3.336 1.00 0.00 C ATOM 1142 OH TYR A 79 -13.904 -2.419 -4.027 1.00 0.00 O ATOM 0 H TYR A 79 -11.129 -7.151 -0.095 1.00 0.00 H new ATOM 0 HA TYR A 79 -9.828 -6.755 -2.679 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -10.108 -5.176 -0.110 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -8.928 -4.715 -1.321 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -12.532 -5.003 -0.592 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -9.634 -3.763 -3.460 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -14.274 -3.794 -1.829 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -11.374 -2.549 -4.695 1.00 0.00 H new ATOM 0 HH TYR A 79 -13.508 -1.987 -4.813 1.00 0.00 H new ATOM 1152 N THR A 80 -7.403 -7.095 -2.091 1.00 0.00 N ATOM 1153 CA THR A 80 -6.047 -7.560 -1.826 1.00 0.00 C ATOM 1154 C THR A 80 -5.014 -6.615 -2.430 1.00 0.00 C ATOM 1155 O THR A 80 -4.858 -6.549 -3.650 1.00 0.00 O ATOM 1156 CB THR A 80 -5.820 -8.977 -2.386 1.00 0.00 C ATOM 1157 OG1 THR A 80 -6.759 -9.889 -1.807 1.00 0.00 O ATOM 1158 CG2 THR A 80 -4.403 -9.451 -2.099 1.00 0.00 C ATOM 0 H THR A 80 -7.535 -6.683 -3.015 1.00 0.00 H new ATOM 0 HA THR A 80 -5.926 -7.582 -0.743 1.00 0.00 H new ATOM 0 HB THR A 80 -5.964 -8.944 -3.466 1.00 0.00 H new ATOM 0 HG1 THR A 80 -6.609 -10.787 -2.169 1.00 0.00 H new ATOM 0 HG21 THR A 80 -4.266 -10.454 -2.504 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.690 -8.771 -2.565 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.236 -9.468 -1.022 1.00 0.00 H new ATOM 1166 N CYS A 81 -4.312 -5.887 -1.570 1.00 0.00 N ATOM 1167 CA CYS A 81 -3.293 -4.945 -2.020 1.00 0.00 C ATOM 1168 C CYS A 81 -1.907 -5.582 -1.980 1.00 0.00 C ATOM 1169 O CYS A 81 -1.328 -5.767 -0.909 1.00 0.00 O ATOM 1170 CB CYS A 81 -3.313 -3.686 -1.152 1.00 0.00 C ATOM 1171 SG CYS A 81 -2.634 -2.219 -1.962 1.00 0.00 S ATOM 0 H CYS A 81 -4.429 -5.930 -0.558 1.00 0.00 H new ATOM 0 HA CYS A 81 -3.518 -4.671 -3.051 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -4.341 -3.480 -0.854 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -2.749 -3.878 -0.240 1.00 0.00 H new ATOM 0 HG CYS A 81 -3.601 -1.524 -2.483 1.00 0.00 H new ATOM 1177 N LEU A 82 -1.382 -5.918 -3.153 1.00 0.00 N ATOM 1178 CA LEU A 82 -0.065 -6.537 -3.252 1.00 0.00 C ATOM 1179 C LEU A 82 1.033 -5.478 -3.280 1.00 0.00 C ATOM 1180 O LEU A 82 0.879 -4.426 -3.900 1.00 0.00 O ATOM 1181 CB LEU A 82 0.018 -7.407 -4.508 1.00 0.00 C ATOM 1182 CG LEU A 82 1.416 -7.884 -4.903 1.00 0.00 C ATOM 1183 CD1 LEU A 82 2.048 -8.680 -3.771 1.00 0.00 C ATOM 1184 CD2 LEU A 82 1.355 -8.717 -6.175 1.00 0.00 C ATOM 0 H LEU A 82 -1.848 -5.772 -4.049 1.00 0.00 H new ATOM 0 HA LEU A 82 0.082 -7.164 -2.373 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.615 -8.282 -4.362 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.402 -6.846 -5.343 1.00 0.00 H new ATOM 0 HG LEU A 82 2.037 -7.009 -5.095 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.042 -9.011 -4.070 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.126 -8.052 -2.884 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.429 -9.548 -3.547 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.359 -9.048 -6.442 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.718 -9.586 -6.011 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.945 -8.114 -6.985 1.00 0.00 H new ATOM 1196 N ALA A 83 2.142 -5.766 -2.607 1.00 0.00 N ATOM 1197 CA ALA A 83 3.268 -4.841 -2.558 1.00 0.00 C ATOM 1198 C ALA A 83 4.596 -5.590 -2.584 1.00 0.00 C ATOM 1199 O ALA A 83 4.992 -6.202 -1.593 1.00 0.00 O ATOM 1200 CB ALA A 83 3.178 -3.965 -1.317 1.00 0.00 C ATOM 0 H ALA A 83 2.285 -6.632 -2.088 1.00 0.00 H new ATOM 0 HA ALA A 83 3.222 -4.205 -3.442 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.025 -3.279 -1.293 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.250 -3.394 -1.341 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.195 -4.593 -0.426 1.00 0.00 H new ATOM 1206 N GLU A 84 5.277 -5.538 -3.725 1.00 0.00 N ATOM 1207 CA GLU A 84 6.560 -6.214 -3.879 1.00 0.00 C ATOM 1208 C GLU A 84 7.586 -5.293 -4.532 1.00 0.00 C ATOM 1209 O GLU A 84 7.243 -4.463 -5.373 1.00 0.00 O ATOM 1210 CB GLU A 84 6.395 -7.486 -4.714 1.00 0.00 C ATOM 1211 CG GLU A 84 6.060 -7.217 -6.172 1.00 0.00 C ATOM 1212 CD GLU A 84 5.765 -8.487 -6.946 1.00 0.00 C ATOM 1213 OE1 GLU A 84 4.618 -8.976 -6.867 1.00 0.00 O ATOM 1214 OE2 GLU A 84 6.679 -8.991 -7.630 1.00 0.00 O ATOM 0 H GLU A 84 4.962 -5.036 -4.555 1.00 0.00 H new ATOM 0 HA GLU A 84 6.920 -6.484 -2.886 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.316 -8.067 -4.663 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.607 -8.099 -4.276 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.197 -6.554 -6.226 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.893 -6.695 -6.642 1.00 0.00 H new ATOM 1221 N ASN A 85 8.846 -5.446 -4.138 1.00 0.00 N ATOM 1222 CA ASN A 85 9.922 -4.627 -4.684 1.00 0.00 C ATOM 1223 C ASN A 85 11.131 -5.486 -5.041 1.00 0.00 C ATOM 1224 O ASN A 85 11.085 -6.712 -4.945 1.00 0.00 O ATOM 1225 CB ASN A 85 10.328 -3.546 -3.681 1.00 0.00 C ATOM 1226 CG ASN A 85 11.006 -4.122 -2.453 1.00 0.00 C ATOM 1227 OD1 ASN A 85 11.310 -5.314 -2.400 1.00 0.00 O ATOM 1228 ND2 ASN A 85 11.247 -3.275 -1.458 1.00 0.00 N ATOM 0 H ASN A 85 9.147 -6.129 -3.443 1.00 0.00 H new ATOM 0 HA ASN A 85 9.556 -4.150 -5.593 1.00 0.00 H new ATOM 0 HB2 ASN A 85 11.001 -2.839 -4.166 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.444 -2.987 -3.376 1.00 0.00 H new ATOM 0 HD21 ASN A 85 11.701 -3.605 -0.606 1.00 0.00 H new ATOM 0 HD22 ASN A 85 10.978 -2.295 -1.546 1.00 0.00 H new ATOM 1235 N ALA A 86 12.214 -4.832 -5.451 1.00 0.00 N ATOM 1236 CA ALA A 86 13.436 -5.535 -5.819 1.00 0.00 C ATOM 1237 C ALA A 86 14.023 -6.279 -4.624 1.00 0.00 C ATOM 1238 O ALA A 86 14.885 -7.145 -4.781 1.00 0.00 O ATOM 1239 CB ALA A 86 14.456 -4.559 -6.388 1.00 0.00 C ATOM 0 H ALA A 86 12.269 -3.817 -5.536 1.00 0.00 H new ATOM 0 HA ALA A 86 13.186 -6.270 -6.584 1.00 0.00 H new ATOM 0 HB1 ALA A 86 15.364 -5.098 -6.659 1.00 0.00 H new ATOM 0 HB2 ALA A 86 14.043 -4.076 -7.274 1.00 0.00 H new ATOM 0 HB3 ALA A 86 14.693 -3.803 -5.640 1.00 0.00 H new ATOM 1245 N LEU A 87 13.552 -5.935 -3.430 1.00 0.00 N ATOM 1246 CA LEU A 87 14.031 -6.570 -2.207 1.00 0.00 C ATOM 1247 C LEU A 87 13.205 -7.810 -1.878 1.00 0.00 C ATOM 1248 O LEU A 87 13.657 -8.938 -2.068 1.00 0.00 O ATOM 1249 CB LEU A 87 13.976 -5.582 -1.041 1.00 0.00 C ATOM 1250 CG LEU A 87 15.183 -4.656 -0.888 1.00 0.00 C ATOM 1251 CD1 LEU A 87 16.327 -5.380 -0.197 1.00 0.00 C ATOM 1252 CD2 LEU A 87 15.625 -4.128 -2.245 1.00 0.00 C ATOM 0 H LEU A 87 12.839 -5.220 -3.283 1.00 0.00 H new ATOM 0 HA LEU A 87 15.065 -6.877 -2.367 1.00 0.00 H new ATOM 0 HB2 LEU A 87 13.083 -4.967 -1.154 1.00 0.00 H new ATOM 0 HB3 LEU A 87 13.858 -6.148 -0.117 1.00 0.00 H new ATOM 0 HG LEU A 87 14.890 -3.808 -0.268 1.00 0.00 H new ATOM 0 HD11 LEU A 87 17.177 -4.705 -0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 87 16.006 -5.708 0.792 1.00 0.00 H new ATOM 0 HD13 LEU A 87 16.620 -6.247 -0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.485 -3.471 -2.117 1.00 0.00 H new ATOM 0 HD22 LEU A 87 15.900 -4.964 -2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 87 14.807 -3.571 -2.703 1.00 0.00 H new ATOM 1264 N GLY A 88 11.989 -7.591 -1.385 1.00 0.00 N ATOM 1265 CA GLY A 88 11.119 -8.700 -1.040 1.00 0.00 C ATOM 1266 C GLY A 88 9.756 -8.593 -1.695 1.00 0.00 C ATOM 1267 O GLY A 88 9.596 -7.896 -2.697 1.00 0.00 O ATOM 0 H GLY A 88 11.592 -6.666 -1.219 1.00 0.00 H new ATOM 0 HA2 GLY A 88 11.591 -9.635 -1.341 1.00 0.00 H new ATOM 0 HA3 GLY A 88 10.997 -8.739 0.042 1.00 0.00 H new ATOM 1271 N GLN A 89 8.773 -9.286 -1.130 1.00 0.00 N ATOM 1272 CA GLN A 89 7.418 -9.268 -1.669 1.00 0.00 C ATOM 1273 C GLN A 89 6.404 -9.669 -0.603 1.00 0.00 C ATOM 1274 O GLN A 89 6.566 -10.686 0.072 1.00 0.00 O ATOM 1275 CB GLN A 89 7.312 -10.207 -2.871 1.00 0.00 C ATOM 1276 CG GLN A 89 7.669 -11.649 -2.550 1.00 0.00 C ATOM 1277 CD GLN A 89 7.302 -12.604 -3.669 1.00 0.00 C ATOM 1278 OE1 GLN A 89 8.113 -13.432 -4.085 1.00 0.00 O ATOM 1279 NE2 GLN A 89 6.074 -12.495 -4.162 1.00 0.00 N ATOM 0 H GLN A 89 8.889 -9.867 -0.300 1.00 0.00 H new ATOM 0 HA GLN A 89 7.195 -8.251 -1.992 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.295 -10.171 -3.261 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.969 -9.846 -3.662 1.00 0.00 H new ATOM 0 HG2 GLN A 89 8.739 -11.719 -2.354 1.00 0.00 H new ATOM 0 HG3 GLN A 89 7.157 -11.951 -1.637 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.434 -11.794 -3.787 1.00 0.00 H new ATOM 0 HE22 GLN A 89 5.770 -13.112 -4.915 1.00 0.00 H new ATOM 1288 N VAL A 90 5.356 -8.864 -0.457 1.00 0.00 N ATOM 1289 CA VAL A 90 4.314 -9.136 0.526 1.00 0.00 C ATOM 1290 C VAL A 90 2.930 -8.860 -0.050 1.00 0.00 C ATOM 1291 O VAL A 90 2.779 -8.059 -0.973 1.00 0.00 O ATOM 1292 CB VAL A 90 4.507 -8.289 1.798 1.00 0.00 C ATOM 1293 CG1 VAL A 90 5.931 -8.424 2.317 1.00 0.00 C ATOM 1294 CG2 VAL A 90 4.166 -6.832 1.524 1.00 0.00 C ATOM 0 H VAL A 90 5.206 -8.018 -1.007 1.00 0.00 H new ATOM 0 HA VAL A 90 4.392 -10.192 0.786 1.00 0.00 H new ATOM 0 HB VAL A 90 3.829 -8.658 2.567 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.050 -7.819 3.216 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.135 -9.468 2.553 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.630 -8.081 1.554 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.308 -6.248 2.433 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.818 -6.447 0.740 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.127 -6.756 1.202 1.00 0.00 H new ATOM 1304 N SER A 91 1.921 -9.527 0.502 1.00 0.00 N ATOM 1305 CA SER A 91 0.549 -9.356 0.041 1.00 0.00 C ATOM 1306 C SER A 91 -0.429 -9.417 1.211 1.00 0.00 C ATOM 1307 O SER A 91 -0.256 -10.210 2.138 1.00 0.00 O ATOM 1308 CB SER A 91 0.196 -10.432 -0.989 1.00 0.00 C ATOM 1309 OG SER A 91 -0.068 -11.673 -0.360 1.00 0.00 O ATOM 0 H SER A 91 2.029 -10.191 1.269 1.00 0.00 H new ATOM 0 HA SER A 91 0.469 -8.375 -0.427 1.00 0.00 H new ATOM 0 HB2 SER A 91 -0.676 -10.119 -1.562 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.018 -10.547 -1.696 1.00 0.00 H new ATOM 0 HG SER A 91 -0.293 -12.343 -1.039 1.00 0.00 H new ATOM 1315 N CYS A 92 -1.455 -8.575 1.160 1.00 0.00 N ATOM 1316 CA CYS A 92 -2.460 -8.531 2.216 1.00 0.00 C ATOM 1317 C CYS A 92 -3.865 -8.459 1.626 1.00 0.00 C ATOM 1318 O CYS A 92 -4.039 -8.143 0.449 1.00 0.00 O ATOM 1319 CB CYS A 92 -2.217 -7.331 3.132 1.00 0.00 C ATOM 1320 SG CYS A 92 -2.990 -5.799 2.563 1.00 0.00 S ATOM 0 H CYS A 92 -1.613 -7.914 0.399 1.00 0.00 H new ATOM 0 HA CYS A 92 -2.377 -9.447 2.801 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -2.592 -7.566 4.128 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -1.143 -7.170 3.225 1.00 0.00 H new ATOM 0 HG CYS A 92 -2.729 -4.843 3.404 1.00 0.00 H new ATOM 1326 N SER A 93 -4.864 -8.755 2.451 1.00 0.00 N ATOM 1327 CA SER A 93 -6.254 -8.729 2.010 1.00 0.00 C ATOM 1328 C SER A 93 -7.167 -8.220 3.121 1.00 0.00 C ATOM 1329 O SER A 93 -6.742 -8.062 4.265 1.00 0.00 O ATOM 1330 CB SER A 93 -6.697 -10.125 1.569 1.00 0.00 C ATOM 1331 OG SER A 93 -6.905 -10.971 2.687 1.00 0.00 O ATOM 0 H SER A 93 -4.737 -9.016 3.429 1.00 0.00 H new ATOM 0 HA SER A 93 -6.328 -8.048 1.162 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.617 -10.052 0.988 1.00 0.00 H new ATOM 0 HB3 SER A 93 -5.941 -10.560 0.915 1.00 0.00 H new ATOM 0 HG SER A 93 -7.189 -11.857 2.379 1.00 0.00 H new ATOM 1337 N ALA A 94 -8.425 -7.966 2.774 1.00 0.00 N ATOM 1338 CA ALA A 94 -9.399 -7.477 3.741 1.00 0.00 C ATOM 1339 C ALA A 94 -10.818 -7.860 3.333 1.00 0.00 C ATOM 1340 O ALA A 94 -11.049 -8.315 2.213 1.00 0.00 O ATOM 1341 CB ALA A 94 -9.282 -5.967 3.892 1.00 0.00 C ATOM 0 H ALA A 94 -8.793 -8.091 1.831 1.00 0.00 H new ATOM 0 HA ALA A 94 -9.185 -7.945 4.702 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -10.016 -5.616 4.618 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.280 -5.712 4.237 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -9.466 -5.490 2.930 1.00 0.00 H new ATOM 1347 N TRP A 95 -11.762 -7.675 4.248 1.00 0.00 N ATOM 1348 CA TRP A 95 -13.158 -8.002 3.982 1.00 0.00 C ATOM 1349 C TRP A 95 -14.045 -6.771 4.134 1.00 0.00 C ATOM 1350 O TRP A 95 -14.305 -6.314 5.247 1.00 0.00 O ATOM 1351 CB TRP A 95 -13.633 -9.107 4.927 1.00 0.00 C ATOM 1352 CG TRP A 95 -15.028 -9.575 4.641 1.00 0.00 C ATOM 1353 CD1 TRP A 95 -16.173 -8.836 4.723 1.00 0.00 C ATOM 1354 CD2 TRP A 95 -15.424 -10.888 4.230 1.00 0.00 C ATOM 1355 NE1 TRP A 95 -17.258 -9.610 4.387 1.00 0.00 N ATOM 1356 CE2 TRP A 95 -16.825 -10.872 4.080 1.00 0.00 C ATOM 1357 CE3 TRP A 95 -14.732 -12.074 3.972 1.00 0.00 C ATOM 1358 CZ2 TRP A 95 -17.543 -11.998 3.684 1.00 0.00 C ATOM 1359 CZ3 TRP A 95 -15.447 -13.190 3.580 1.00 0.00 C ATOM 1360 CH2 TRP A 95 -16.840 -13.146 3.438 1.00 0.00 C ATOM 0 H TRP A 95 -11.587 -7.300 5.180 1.00 0.00 H new ATOM 0 HA TRP A 95 -13.232 -8.355 2.954 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -12.951 -9.954 4.855 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -13.583 -8.744 5.953 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -16.219 -7.796 5.010 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -18.228 -9.295 4.369 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -13.658 -12.118 4.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -18.617 -11.966 3.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -14.922 -14.112 3.380 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -17.369 -14.035 3.128 1.00 0.00 H new ATOM 1371 N VAL A 96 -14.507 -6.238 3.007 1.00 0.00 N ATOM 1372 CA VAL A 96 -15.366 -5.060 3.015 1.00 0.00 C ATOM 1373 C VAL A 96 -16.812 -5.432 2.705 1.00 0.00 C ATOM 1374 O VAL A 96 -17.084 -6.196 1.779 1.00 0.00 O ATOM 1375 CB VAL A 96 -14.888 -4.009 1.995 1.00 0.00 C ATOM 1376 CG1 VAL A 96 -15.844 -2.827 1.959 1.00 0.00 C ATOM 1377 CG2 VAL A 96 -13.475 -3.553 2.324 1.00 0.00 C ATOM 0 H VAL A 96 -14.301 -6.603 2.077 1.00 0.00 H new ATOM 0 HA VAL A 96 -15.310 -4.635 4.017 1.00 0.00 H new ATOM 0 HB VAL A 96 -14.877 -4.466 1.006 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -15.490 -2.095 1.233 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -16.838 -3.171 1.672 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -15.890 -2.366 2.946 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -13.153 -2.811 1.594 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.458 -3.113 3.321 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -12.800 -4.408 2.294 1.00 0.00 H new ATOM 1387 N THR A 97 -17.739 -4.885 3.486 1.00 0.00 N ATOM 1388 CA THR A 97 -19.157 -5.160 3.296 1.00 0.00 C ATOM 1389 C THR A 97 -19.941 -3.871 3.073 1.00 0.00 C ATOM 1390 O THR A 97 -19.688 -2.858 3.725 1.00 0.00 O ATOM 1391 CB THR A 97 -19.752 -5.907 4.505 1.00 0.00 C ATOM 1392 OG1 THR A 97 -18.922 -7.022 4.848 1.00 0.00 O ATOM 1393 CG2 THR A 97 -21.162 -6.391 4.202 1.00 0.00 C ATOM 0 H THR A 97 -17.532 -4.249 4.256 1.00 0.00 H new ATOM 0 HA THR A 97 -19.241 -5.792 2.412 1.00 0.00 H new ATOM 0 HB THR A 97 -19.796 -5.215 5.346 1.00 0.00 H new ATOM 0 HG1 THR A 97 -19.306 -7.491 5.618 1.00 0.00 H new ATOM 0 HG21 THR A 97 -21.561 -6.915 5.070 1.00 0.00 H new ATOM 0 HG22 THR A 97 -21.798 -5.537 3.970 1.00 0.00 H new ATOM 0 HG23 THR A 97 -21.139 -7.068 3.348 1.00 0.00 H new ATOM 1401 N VAL A 98 -20.896 -3.917 2.149 1.00 0.00 N ATOM 1402 CA VAL A 98 -21.719 -2.753 1.842 1.00 0.00 C ATOM 1403 C VAL A 98 -23.165 -2.975 2.270 1.00 0.00 C ATOM 1404 O VAL A 98 -23.848 -3.861 1.755 1.00 0.00 O ATOM 1405 CB VAL A 98 -21.685 -2.424 0.338 1.00 0.00 C ATOM 1406 CG1 VAL A 98 -22.526 -1.191 0.042 1.00 0.00 C ATOM 1407 CG2 VAL A 98 -20.252 -2.226 -0.131 1.00 0.00 C ATOM 0 H VAL A 98 -21.119 -4.748 1.600 1.00 0.00 H new ATOM 0 HA VAL A 98 -21.303 -1.914 2.400 1.00 0.00 H new ATOM 0 HB VAL A 98 -22.110 -3.265 -0.210 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -22.490 -0.974 -1.026 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -23.558 -1.374 0.340 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -22.133 -0.340 0.599 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -20.246 -1.994 -1.196 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -19.799 -1.403 0.422 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -19.682 -3.138 0.045 1.00 0.00 H new ATOM 1417 N HIS A 99 -23.627 -2.163 3.216 1.00 0.00 N ATOM 1418 CA HIS A 99 -24.994 -2.269 3.714 1.00 0.00 C ATOM 1419 C HIS A 99 -25.990 -2.318 2.559 1.00 0.00 C ATOM 1420 O HIS A 99 -27.076 -1.743 2.639 1.00 0.00 O ATOM 1421 CB HIS A 99 -25.318 -1.090 4.632 1.00 0.00 C ATOM 1422 CG HIS A 99 -24.537 -1.095 5.910 1.00 0.00 C ATOM 1423 ND1 HIS A 99 -24.706 -2.047 6.892 1.00 0.00 N ATOM 1424 CD2 HIS A 99 -23.576 -0.256 6.363 1.00 0.00 C ATOM 1425 CE1 HIS A 99 -23.885 -1.793 7.895 1.00 0.00 C ATOM 1426 NE2 HIS A 99 -23.188 -0.711 7.599 1.00 0.00 N ATOM 0 H HIS A 99 -23.075 -1.425 3.653 1.00 0.00 H new ATOM 0 HA HIS A 99 -25.077 -3.195 4.282 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -25.121 -0.160 4.099 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -26.382 -1.104 4.866 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -25.363 -2.826 6.851 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -23.187 0.610 5.848 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -23.798 -2.372 8.803 1.00 0.00 H new TER 1435 HIS A 99