USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 641 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 37 ASN : amide:sc=-0.00615 X(o=-0.78,f=-0.42) USER MOD Set 1.2: A 40 GLN : amide:sc= -0.778 X(o=-0.78,f=-0.41) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.507 K(o=0.51,f=-5.5!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -24:sc= 1.17 USER MOD Single : A 44 HIS : no HD1:sc= -0.147 X(o=-0.15,f=-0.0019) USER MOD Single : A 45 SER OG : rot 26:sc= 1.16 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0.96 K(o=0.96,f=-1.5) USER MOD Single : A 56 HIS :FLIP no HD1:sc= -0.38 F(o=-1.2,f=-0.38) USER MOD Single : A 59 TYR OH : rot 30:sc= -0.176 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 1.34 K(o=1.3,f=-0.92) USER MOD Single : A 73 THR OG1 : rot 33:sc= 0.2 USER MOD Single : A 75 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0687) USER MOD Single : A 79 GLN : amide:sc= -0.365 X(o=-0.37,f=-0.13) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 1:sc= 0.941 USER MOD Single : A 85 SER OG : rot 12:sc= 0.0853 USER MOD ----------------------------------------------------------------- ATOM 57 N GLU A 5 -21.773 12.699 7.983 1.00 0.00 N ATOM 58 CA GLU A 5 -22.199 11.321 8.303 1.00 0.00 C ATOM 59 C GLU A 5 -23.598 10.943 7.763 1.00 0.00 C ATOM 60 O GLU A 5 -24.321 11.791 7.248 1.00 0.00 O ATOM 61 CB GLU A 5 -22.046 11.044 9.812 1.00 0.00 C ATOM 62 CG GLU A 5 -22.739 11.999 10.794 1.00 0.00 C ATOM 63 CD GLU A 5 -21.849 13.192 11.155 1.00 0.00 C ATOM 64 OE1 GLU A 5 -21.882 14.179 10.385 1.00 0.00 O ATOM 65 OE2 GLU A 5 -21.076 13.063 12.126 1.00 0.00 O ATOM 0 HA GLU A 5 -21.524 10.657 7.764 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -22.418 10.038 10.006 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -20.981 11.041 10.045 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -23.669 12.360 10.354 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -23.005 11.457 11.701 1.00 0.00 H new ATOM 72 N ALA A 6 -23.973 9.674 7.963 1.00 0.00 N ATOM 73 CA ALA A 6 -25.233 9.033 7.504 1.00 0.00 C ATOM 74 C ALA A 6 -25.489 8.917 5.981 1.00 0.00 C ATOM 75 O ALA A 6 -26.609 8.668 5.544 1.00 0.00 O ATOM 76 CB ALA A 6 -26.435 9.636 8.251 1.00 0.00 C ATOM 0 H ALA A 6 -23.380 9.022 8.477 1.00 0.00 H new ATOM 0 HA ALA A 6 -25.094 7.985 7.769 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -27.353 9.160 7.907 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -26.319 9.470 9.322 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -26.486 10.707 8.054 1.00 0.00 H new ATOM 82 N GLN A 7 -24.390 8.729 5.248 1.00 0.00 N ATOM 83 CA GLN A 7 -24.325 8.552 3.773 1.00 0.00 C ATOM 84 C GLN A 7 -25.322 7.581 3.092 1.00 0.00 C ATOM 85 O GLN A 7 -25.709 7.823 1.948 1.00 0.00 O ATOM 86 CB GLN A 7 -22.874 8.148 3.460 1.00 0.00 C ATOM 87 CG GLN A 7 -22.498 7.993 1.979 1.00 0.00 C ATOM 88 CD GLN A 7 -22.528 9.307 1.193 1.00 0.00 C ATOM 89 OE1 GLN A 7 -21.743 10.221 1.402 1.00 0.00 O ATOM 90 NE2 GLN A 7 -23.456 9.423 0.267 1.00 0.00 N ATOM 0 H GLN A 7 -23.466 8.692 5.678 1.00 0.00 H new ATOM 0 HA GLN A 7 -24.641 9.502 3.343 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -22.212 8.893 3.901 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -22.670 7.202 3.962 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -21.499 7.562 1.911 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -23.183 7.285 1.512 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -24.107 8.656 0.099 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -23.524 10.280 -0.282 1.00 0.00 H new ATOM 99 N TYR A 8 -25.688 6.491 3.777 1.00 0.00 N ATOM 100 CA TYR A 8 -26.516 5.379 3.239 1.00 0.00 C ATOM 101 C TYR A 8 -26.796 4.315 4.320 1.00 0.00 C ATOM 102 O TYR A 8 -27.943 4.065 4.671 1.00 0.00 O ATOM 103 CB TYR A 8 -25.886 4.728 1.987 1.00 0.00 C ATOM 104 CG TYR A 8 -26.663 3.540 1.393 1.00 0.00 C ATOM 105 CD1 TYR A 8 -28.054 3.475 1.424 1.00 0.00 C ATOM 106 CD2 TYR A 8 -25.945 2.468 0.875 1.00 0.00 C ATOM 107 CE1 TYR A 8 -28.714 2.343 0.965 1.00 0.00 C ATOM 108 CE2 TYR A 8 -26.601 1.335 0.410 1.00 0.00 C ATOM 109 CZ TYR A 8 -27.990 1.273 0.459 1.00 0.00 C ATOM 110 OH TYR A 8 -28.645 0.160 0.045 1.00 0.00 O ATOM 0 H TYR A 8 -25.414 6.344 4.749 1.00 0.00 H new ATOM 0 HA TYR A 8 -27.465 5.819 2.933 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -25.781 5.492 1.217 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -24.881 4.391 2.241 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -28.622 4.310 1.807 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -24.867 2.516 0.834 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -29.792 2.295 1.002 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -26.035 0.506 0.012 1.00 0.00 H new ATOM 0 HH TYR A 8 -27.997 -0.498 -0.283 1.00 0.00 H new ATOM 120 N VAL A 9 -25.727 3.620 4.714 1.00 0.00 N ATOM 121 CA VAL A 9 -25.664 2.657 5.843 1.00 0.00 C ATOM 122 C VAL A 9 -26.617 1.445 5.676 1.00 0.00 C ATOM 123 O VAL A 9 -27.681 1.367 6.285 1.00 0.00 O ATOM 124 CB VAL A 9 -25.888 3.354 7.210 1.00 0.00 C ATOM 125 CG1 VAL A 9 -25.452 2.453 8.373 1.00 0.00 C ATOM 126 CG2 VAL A 9 -25.201 4.721 7.348 1.00 0.00 C ATOM 0 H VAL A 9 -24.830 3.710 4.237 1.00 0.00 H new ATOM 0 HA VAL A 9 -24.650 2.257 5.826 1.00 0.00 H new ATOM 0 HB VAL A 9 -26.962 3.534 7.251 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -25.622 2.970 9.317 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -26.032 1.530 8.355 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -24.392 2.218 8.274 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -25.411 5.136 8.334 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -24.124 4.601 7.226 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -25.580 5.398 6.582 1.00 0.00 H new ATOM 136 N ALA A 10 -26.190 0.489 4.851 1.00 0.00 N ATOM 137 CA ALA A 10 -26.856 -0.829 4.745 1.00 0.00 C ATOM 138 C ALA A 10 -25.863 -1.998 4.959 1.00 0.00 C ATOM 139 O ALA A 10 -25.190 -2.412 4.012 1.00 0.00 O ATOM 140 CB ALA A 10 -27.585 -0.933 3.400 1.00 0.00 C ATOM 0 H ALA A 10 -25.381 0.595 4.239 1.00 0.00 H new ATOM 0 HA ALA A 10 -27.593 -0.910 5.544 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -28.074 -1.904 3.325 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -28.333 -0.144 3.330 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -26.867 -0.825 2.587 1.00 0.00 H new ATOM 146 N PRO A 11 -25.643 -2.415 6.218 1.00 0.00 N ATOM 147 CA PRO A 11 -24.681 -3.484 6.562 1.00 0.00 C ATOM 148 C PRO A 11 -25.103 -4.865 6.037 1.00 0.00 C ATOM 149 O PRO A 11 -26.279 -5.112 5.780 1.00 0.00 O ATOM 150 CB PRO A 11 -24.574 -3.445 8.087 1.00 0.00 C ATOM 151 CG PRO A 11 -25.942 -2.922 8.526 1.00 0.00 C ATOM 152 CD PRO A 11 -26.306 -1.909 7.439 1.00 0.00 C ATOM 0 HA PRO A 11 -23.716 -3.314 6.085 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -24.370 -4.433 8.501 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -23.768 -2.789 8.416 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -26.677 -3.725 8.588 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -25.896 -2.455 9.510 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -27.386 -1.843 7.305 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -25.955 -0.910 7.695 1.00 0.00 H new ATOM 160 N THR A 12 -24.092 -5.674 5.737 1.00 0.00 N ATOM 161 CA THR A 12 -24.301 -7.039 5.198 1.00 0.00 C ATOM 162 C THR A 12 -23.871 -8.124 6.205 1.00 0.00 C ATOM 163 O THR A 12 -24.691 -8.659 6.942 1.00 0.00 O ATOM 164 CB THR A 12 -23.559 -7.248 3.863 1.00 0.00 C ATOM 165 OG1 THR A 12 -23.401 -6.016 3.154 1.00 0.00 O ATOM 166 CG2 THR A 12 -24.297 -8.265 2.987 1.00 0.00 C ATOM 0 H THR A 12 -23.111 -5.419 5.854 1.00 0.00 H new ATOM 0 HA THR A 12 -25.372 -7.136 5.019 1.00 0.00 H new ATOM 0 HB THR A 12 -22.567 -7.635 4.097 1.00 0.00 H new ATOM 0 HG1 THR A 12 -22.926 -6.181 2.313 1.00 0.00 H new ATOM 0 HG21 THR A 12 -23.757 -8.398 2.050 1.00 0.00 H new ATOM 0 HG22 THR A 12 -24.357 -9.220 3.510 1.00 0.00 H new ATOM 0 HG23 THR A 12 -25.303 -7.902 2.777 1.00 0.00 H new ATOM 174 N ASN A 13 -22.566 -8.383 6.255 1.00 0.00 N ATOM 175 CA ASN A 13 -21.959 -9.470 7.054 1.00 0.00 C ATOM 176 C ASN A 13 -21.113 -8.927 8.224 1.00 0.00 C ATOM 177 O ASN A 13 -20.965 -7.712 8.370 1.00 0.00 O ATOM 178 CB ASN A 13 -21.120 -10.339 6.103 1.00 0.00 C ATOM 179 CG ASN A 13 -19.995 -9.574 5.391 1.00 0.00 C ATOM 180 OD1 ASN A 13 -19.222 -8.829 5.980 1.00 0.00 O ATOM 181 ND2 ASN A 13 -19.943 -9.698 4.086 1.00 0.00 N ATOM 0 H ASN A 13 -21.879 -7.838 5.734 1.00 0.00 H new ATOM 0 HA ASN A 13 -22.745 -10.069 7.514 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -20.685 -11.163 6.668 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -21.778 -10.779 5.353 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -19.253 -9.171 3.551 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -20.592 -10.322 3.607 1.00 0.00 H new ATOM 188 N ALA A 14 -20.447 -9.846 8.926 1.00 0.00 N ATOM 189 CA ALA A 14 -19.524 -9.544 10.043 1.00 0.00 C ATOM 190 C ALA A 14 -18.526 -8.415 9.726 1.00 0.00 C ATOM 191 O ALA A 14 -18.749 -7.303 10.192 1.00 0.00 O ATOM 192 CB ALA A 14 -18.798 -10.823 10.475 1.00 0.00 C ATOM 0 H ALA A 14 -20.530 -10.845 8.737 1.00 0.00 H new ATOM 0 HA ALA A 14 -20.130 -9.172 10.869 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -18.120 -10.596 11.297 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -19.528 -11.564 10.801 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -18.229 -11.220 9.634 1.00 0.00 H new ATOM 198 N VAL A 15 -17.671 -8.617 8.719 1.00 0.00 N ATOM 199 CA VAL A 15 -16.643 -7.635 8.285 1.00 0.00 C ATOM 200 C VAL A 15 -17.275 -6.269 7.935 1.00 0.00 C ATOM 201 O VAL A 15 -16.940 -5.264 8.558 1.00 0.00 O ATOM 202 CB VAL A 15 -15.814 -8.217 7.117 1.00 0.00 C ATOM 203 CG1 VAL A 15 -14.759 -7.242 6.577 1.00 0.00 C ATOM 204 CG2 VAL A 15 -15.089 -9.496 7.549 1.00 0.00 C ATOM 0 H VAL A 15 -17.664 -9.475 8.168 1.00 0.00 H new ATOM 0 HA VAL A 15 -15.963 -7.450 9.117 1.00 0.00 H new ATOM 0 HB VAL A 15 -16.535 -8.421 6.325 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -14.213 -7.713 5.760 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -15.250 -6.340 6.213 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -14.064 -6.980 7.374 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -14.512 -9.888 6.711 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -14.418 -9.272 8.378 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -15.820 -10.240 7.865 1.00 0.00 H new ATOM 214 N GLU A 16 -18.333 -6.316 7.123 1.00 0.00 N ATOM 215 CA GLU A 16 -19.135 -5.136 6.726 1.00 0.00 C ATOM 216 C GLU A 16 -19.623 -4.314 7.935 1.00 0.00 C ATOM 217 O GLU A 16 -19.193 -3.175 8.116 1.00 0.00 O ATOM 218 CB GLU A 16 -20.327 -5.590 5.873 1.00 0.00 C ATOM 219 CG GLU A 16 -19.949 -5.930 4.425 1.00 0.00 C ATOM 220 CD GLU A 16 -19.857 -4.693 3.523 1.00 0.00 C ATOM 221 OE1 GLU A 16 -20.753 -3.828 3.640 1.00 0.00 O ATOM 222 OE2 GLU A 16 -18.865 -4.611 2.771 1.00 0.00 O ATOM 0 H GLU A 16 -18.670 -7.186 6.711 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.488 -4.480 6.144 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -20.783 -6.465 6.336 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -21.081 -4.803 5.868 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -18.991 -6.450 4.418 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -20.688 -6.618 4.014 1.00 0.00 H new ATOM 229 N SER A 17 -20.366 -4.976 8.823 1.00 0.00 N ATOM 230 CA SER A 17 -20.958 -4.359 10.030 1.00 0.00 C ATOM 231 C SER A 17 -19.902 -3.933 11.067 1.00 0.00 C ATOM 232 O SER A 17 -19.795 -2.746 11.365 1.00 0.00 O ATOM 233 CB SER A 17 -21.975 -5.312 10.667 1.00 0.00 C ATOM 234 OG SER A 17 -22.657 -4.648 11.732 1.00 0.00 O ATOM 0 H SER A 17 -20.581 -5.969 8.731 1.00 0.00 H new ATOM 0 HA SER A 17 -21.462 -3.449 9.704 1.00 0.00 H new ATOM 0 HB2 SER A 17 -22.691 -5.648 9.918 1.00 0.00 H new ATOM 0 HB3 SER A 17 -21.468 -6.200 11.045 1.00 0.00 H new ATOM 0 HG SER A 17 -23.308 -5.260 12.136 1.00 0.00 H new ATOM 240 N LYS A 18 -18.982 -4.849 11.374 1.00 0.00 N ATOM 241 CA LYS A 18 -17.881 -4.666 12.347 1.00 0.00 C ATOM 242 C LYS A 18 -17.040 -3.428 11.999 1.00 0.00 C ATOM 243 O LYS A 18 -16.993 -2.480 12.782 1.00 0.00 O ATOM 244 CB LYS A 18 -16.998 -5.923 12.331 1.00 0.00 C ATOM 245 CG LYS A 18 -15.949 -5.994 13.445 1.00 0.00 C ATOM 246 CD LYS A 18 -16.579 -6.353 14.793 1.00 0.00 C ATOM 247 CE LYS A 18 -15.498 -6.549 15.856 1.00 0.00 C ATOM 248 NZ LYS A 18 -16.080 -7.038 17.114 1.00 0.00 N ATOM 0 H LYS A 18 -18.974 -5.773 10.943 1.00 0.00 H new ATOM 0 HA LYS A 18 -18.302 -4.515 13.341 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -17.641 -6.801 12.402 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -16.488 -5.978 11.369 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -15.194 -6.736 13.187 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.438 -5.034 13.526 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -17.263 -5.563 15.103 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -17.169 -7.264 14.694 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -14.753 -7.258 15.496 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -14.981 -5.606 16.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -15.326 -7.163 17.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -16.774 -6.348 17.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -16.552 -7.949 16.947 1.00 0.00 H new ATOM 262 N LEU A 19 -16.564 -3.381 10.754 1.00 0.00 N ATOM 263 CA LEU A 19 -15.787 -2.238 10.242 1.00 0.00 C ATOM 264 C LEU A 19 -16.590 -0.933 10.191 1.00 0.00 C ATOM 265 O LEU A 19 -16.153 0.037 10.798 1.00 0.00 O ATOM 266 CB LEU A 19 -15.141 -2.536 8.884 1.00 0.00 C ATOM 267 CG LEU A 19 -13.761 -3.215 8.900 1.00 0.00 C ATOM 268 CD1 LEU A 19 -12.710 -2.336 9.583 1.00 0.00 C ATOM 269 CD2 LEU A 19 -13.798 -4.622 9.505 1.00 0.00 C ATOM 0 H LEU A 19 -16.702 -4.126 10.071 1.00 0.00 H new ATOM 0 HA LEU A 19 -14.988 -2.087 10.968 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -15.823 -3.169 8.316 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -15.050 -1.596 8.339 1.00 0.00 H new ATOM 0 HG LEU A 19 -13.466 -3.337 7.858 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.748 -2.848 9.576 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.622 -1.391 9.047 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -13.011 -2.143 10.613 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -12.796 -5.051 9.490 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -14.153 -4.566 10.534 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -14.471 -5.251 8.922 1.00 0.00 H new ATOM 281 N ALA A 20 -17.827 -0.972 9.686 1.00 0.00 N ATOM 282 CA ALA A 20 -18.721 0.210 9.681 1.00 0.00 C ATOM 283 C ALA A 20 -18.954 0.781 11.096 1.00 0.00 C ATOM 284 O ALA A 20 -18.812 1.987 11.310 1.00 0.00 O ATOM 285 CB ALA A 20 -20.057 -0.145 9.024 1.00 0.00 C ATOM 0 H ALA A 20 -18.241 -1.808 9.272 1.00 0.00 H new ATOM 0 HA ALA A 20 -18.225 0.988 9.102 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -20.707 0.730 9.025 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -19.883 -0.467 7.997 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -20.533 -0.952 9.581 1.00 0.00 H new ATOM 291 N GLU A 21 -19.147 -0.126 12.055 1.00 0.00 N ATOM 292 CA GLU A 21 -19.246 0.159 13.500 1.00 0.00 C ATOM 293 C GLU A 21 -17.959 0.818 14.037 1.00 0.00 C ATOM 294 O GLU A 21 -17.988 1.979 14.437 1.00 0.00 O ATOM 295 CB GLU A 21 -19.563 -1.154 14.231 1.00 0.00 C ATOM 296 CG GLU A 21 -19.761 -0.998 15.743 1.00 0.00 C ATOM 297 CD GLU A 21 -19.882 -2.369 16.412 1.00 0.00 C ATOM 298 OE1 GLU A 21 -18.818 -2.924 16.762 1.00 0.00 O ATOM 299 OE2 GLU A 21 -21.034 -2.835 16.556 1.00 0.00 O ATOM 0 H GLU A 21 -19.243 -1.120 11.845 1.00 0.00 H new ATOM 0 HA GLU A 21 -20.048 0.875 13.679 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -20.465 -1.588 13.800 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -18.753 -1.861 14.053 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -18.921 -0.451 16.171 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -20.658 -0.410 15.940 1.00 0.00 H new ATOM 306 N ILE A 22 -16.830 0.112 13.954 1.00 0.00 N ATOM 307 CA ILE A 22 -15.540 0.636 14.456 1.00 0.00 C ATOM 308 C ILE A 22 -15.055 1.911 13.742 1.00 0.00 C ATOM 309 O ILE A 22 -14.627 2.843 14.417 1.00 0.00 O ATOM 310 CB ILE A 22 -14.445 -0.434 14.613 1.00 0.00 C ATOM 311 CG1 ILE A 22 -14.156 -1.198 13.308 1.00 0.00 C ATOM 312 CG2 ILE A 22 -14.819 -1.335 15.801 1.00 0.00 C ATOM 313 CD1 ILE A 22 -12.991 -2.193 13.380 1.00 0.00 C ATOM 0 H ILE A 22 -16.773 -0.822 13.547 1.00 0.00 H new ATOM 0 HA ILE A 22 -15.765 0.957 15.473 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.492 0.047 14.833 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -15.056 -1.738 13.014 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -13.947 -0.474 12.520 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -14.055 -2.102 15.931 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -14.886 -0.733 16.707 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -15.781 -1.810 15.609 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -12.868 -2.680 12.412 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -12.075 -1.662 13.639 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -13.201 -2.945 14.140 1.00 0.00 H new ATOM 325 N TRP A 23 -15.358 2.035 12.450 1.00 0.00 N ATOM 326 CA TRP A 23 -15.177 3.289 11.689 1.00 0.00 C ATOM 327 C TRP A 23 -15.977 4.459 12.277 1.00 0.00 C ATOM 328 O TRP A 23 -15.367 5.372 12.826 1.00 0.00 O ATOM 329 CB TRP A 23 -15.494 3.125 10.197 1.00 0.00 C ATOM 330 CG TRP A 23 -14.434 2.335 9.424 1.00 0.00 C ATOM 331 CD1 TRP A 23 -14.694 1.388 8.525 1.00 0.00 C ATOM 332 CD2 TRP A 23 -13.055 2.368 9.598 1.00 0.00 C ATOM 333 NE1 TRP A 23 -13.557 0.804 8.148 1.00 0.00 N ATOM 334 CE2 TRP A 23 -12.538 1.366 8.793 1.00 0.00 C ATOM 335 CE3 TRP A 23 -12.202 3.171 10.348 1.00 0.00 C ATOM 336 CZ2 TRP A 23 -11.168 1.138 8.762 1.00 0.00 C ATOM 337 CZ3 TRP A 23 -10.831 2.954 10.306 1.00 0.00 C ATOM 338 CH2 TRP A 23 -10.318 1.924 9.528 1.00 0.00 C ATOM 0 H TRP A 23 -15.738 1.270 11.892 1.00 0.00 H new ATOM 0 HA TRP A 23 -14.118 3.529 11.782 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -16.456 2.623 10.092 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -15.599 4.112 9.747 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -15.677 1.132 8.157 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -13.480 0.045 7.471 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -12.606 3.962 10.962 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -10.765 0.350 8.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -10.165 3.584 10.877 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -9.255 1.734 9.519 1.00 0.00 H new ATOM 349 N GLU A 24 -17.302 4.321 12.355 1.00 0.00 N ATOM 350 CA GLU A 24 -18.173 5.375 12.932 1.00 0.00 C ATOM 351 C GLU A 24 -17.848 5.744 14.391 1.00 0.00 C ATOM 352 O GLU A 24 -18.089 6.876 14.800 1.00 0.00 O ATOM 353 CB GLU A 24 -19.664 5.066 12.750 1.00 0.00 C ATOM 354 CG GLU A 24 -20.184 3.789 13.425 1.00 0.00 C ATOM 355 CD GLU A 24 -21.532 3.299 12.881 1.00 0.00 C ATOM 356 OE1 GLU A 24 -21.892 3.719 11.754 1.00 0.00 O ATOM 357 OE2 GLU A 24 -22.190 2.541 13.619 1.00 0.00 O ATOM 0 H GLU A 24 -17.805 3.495 12.030 1.00 0.00 H new ATOM 0 HA GLU A 24 -17.942 6.266 12.348 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -20.237 5.911 13.131 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -19.871 4.996 11.682 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -19.445 2.998 13.300 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -20.280 3.970 14.496 1.00 0.00 H new ATOM 364 N ARG A 25 -17.381 4.748 15.140 1.00 0.00 N ATOM 365 CA ARG A 25 -16.843 4.883 16.506 1.00 0.00 C ATOM 366 C ARG A 25 -15.541 5.718 16.512 1.00 0.00 C ATOM 367 O ARG A 25 -15.576 6.903 16.839 1.00 0.00 O ATOM 368 CB ARG A 25 -16.633 3.454 17.016 1.00 0.00 C ATOM 369 CG ARG A 25 -16.436 3.321 18.526 1.00 0.00 C ATOM 370 CD ARG A 25 -16.127 1.855 18.835 1.00 0.00 C ATOM 371 NE ARG A 25 -16.165 1.607 20.287 1.00 0.00 N ATOM 372 CZ ARG A 25 -15.810 0.476 20.901 1.00 0.00 C ATOM 373 NH1 ARG A 25 -15.177 -0.506 20.271 1.00 0.00 N ATOM 374 NH2 ARG A 25 -15.966 0.362 22.211 1.00 0.00 N ATOM 0 H ARG A 25 -17.363 3.784 14.806 1.00 0.00 H new ATOM 0 HA ARG A 25 -17.526 5.422 17.162 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -17.493 2.852 16.724 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -15.763 3.031 16.514 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -15.620 3.961 18.862 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -17.332 3.642 19.057 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -16.850 1.213 18.333 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -15.144 1.595 18.443 1.00 0.00 H new ATOM 0 HE ARG A 25 -16.493 2.371 20.878 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -14.945 -0.411 19.282 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -14.923 -1.355 20.776 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -16.356 1.137 22.747 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -15.696 -0.501 22.684 1.00 0.00 H new ATOM 388 N VAL A 26 -14.478 5.156 15.934 1.00 0.00 N ATOM 389 CA VAL A 26 -13.105 5.720 15.910 1.00 0.00 C ATOM 390 C VAL A 26 -13.013 7.086 15.194 1.00 0.00 C ATOM 391 O VAL A 26 -12.307 7.973 15.667 1.00 0.00 O ATOM 392 CB VAL A 26 -12.123 4.669 15.340 1.00 0.00 C ATOM 393 CG1 VAL A 26 -10.685 5.181 15.178 1.00 0.00 C ATOM 394 CG2 VAL A 26 -12.064 3.431 16.243 1.00 0.00 C ATOM 0 H VAL A 26 -14.540 4.261 15.448 1.00 0.00 H new ATOM 0 HA VAL A 26 -12.815 5.940 16.937 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.518 4.431 14.352 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.059 4.386 14.774 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.676 6.032 14.497 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.297 5.490 16.149 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.367 2.706 15.822 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.727 3.722 17.238 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -13.055 2.983 16.312 1.00 0.00 H new ATOM 404 N LEU A 27 -13.781 7.263 14.118 1.00 0.00 N ATOM 405 CA LEU A 27 -13.868 8.530 13.353 1.00 0.00 C ATOM 406 C LEU A 27 -14.368 9.733 14.183 1.00 0.00 C ATOM 407 O LEU A 27 -14.120 10.882 13.817 1.00 0.00 O ATOM 408 CB LEU A 27 -14.772 8.307 12.132 1.00 0.00 C ATOM 409 CG LEU A 27 -14.684 9.395 11.054 1.00 0.00 C ATOM 410 CD1 LEU A 27 -13.345 9.347 10.309 1.00 0.00 C ATOM 411 CD2 LEU A 27 -15.851 9.250 10.079 1.00 0.00 C ATOM 0 H LEU A 27 -14.374 6.524 13.739 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.855 8.792 13.047 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.518 7.348 11.681 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.805 8.236 12.472 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.745 10.367 11.544 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.321 10.133 9.554 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.529 9.498 11.016 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.232 8.376 9.827 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.785 10.024 9.315 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.810 8.269 9.606 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.792 9.353 10.620 1.00 0.00 H new ATOM 423 N GLY A 28 -15.055 9.428 15.294 1.00 0.00 N ATOM 424 CA GLY A 28 -15.606 10.430 16.229 1.00 0.00 C ATOM 425 C GLY A 28 -17.107 10.231 16.476 1.00 0.00 C ATOM 426 O GLY A 28 -17.905 11.120 16.186 1.00 0.00 O ATOM 0 H GLY A 28 -15.248 8.467 15.575 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -15.073 10.370 17.178 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -15.435 11.430 15.829 1.00 0.00 H new ATOM 430 N VAL A 29 -17.431 9.056 17.028 1.00 0.00 N ATOM 431 CA VAL A 29 -18.787 8.545 17.355 1.00 0.00 C ATOM 432 C VAL A 29 -19.944 9.250 16.605 1.00 0.00 C ATOM 433 O VAL A 29 -20.879 9.810 17.175 1.00 0.00 O ATOM 434 CB VAL A 29 -18.914 8.444 18.893 1.00 0.00 C ATOM 435 CG1 VAL A 29 -18.929 9.795 19.623 1.00 0.00 C ATOM 436 CG2 VAL A 29 -20.074 7.537 19.313 1.00 0.00 C ATOM 0 H VAL A 29 -16.708 8.382 17.280 1.00 0.00 H new ATOM 0 HA VAL A 29 -18.902 7.537 16.957 1.00 0.00 H new ATOM 0 HB VAL A 29 -17.990 7.969 19.223 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -19.021 9.628 20.696 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -18.002 10.330 19.417 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -19.775 10.387 19.275 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -20.127 7.494 20.401 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -21.009 7.936 18.920 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -19.913 6.534 18.918 1.00 0.00 H new ATOM 446 N SER A 30 -19.923 9.013 15.295 1.00 0.00 N ATOM 447 CA SER A 30 -20.690 9.819 14.319 1.00 0.00 C ATOM 448 C SER A 30 -21.916 9.107 13.725 1.00 0.00 C ATOM 449 O SER A 30 -23.019 9.648 13.760 1.00 0.00 O ATOM 450 CB SER A 30 -19.794 10.265 13.152 1.00 0.00 C ATOM 451 OG SER A 30 -18.476 10.629 13.571 1.00 0.00 O ATOM 0 H SER A 30 -19.379 8.262 14.871 1.00 0.00 H new ATOM 0 HA SER A 30 -21.050 10.671 14.896 1.00 0.00 H new ATOM 0 HB2 SER A 30 -19.728 9.458 12.422 1.00 0.00 H new ATOM 0 HB3 SER A 30 -20.257 11.113 12.648 1.00 0.00 H new ATOM 0 HG SER A 30 -18.493 10.889 14.516 1.00 0.00 H new ATOM 457 N GLY A 31 -21.658 7.991 13.023 1.00 0.00 N ATOM 458 CA GLY A 31 -22.701 7.218 12.317 1.00 0.00 C ATOM 459 C GLY A 31 -22.505 7.265 10.796 1.00 0.00 C ATOM 460 O GLY A 31 -23.040 8.129 10.106 1.00 0.00 O ATOM 0 H GLY A 31 -20.722 7.597 12.927 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -22.679 6.182 12.656 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -23.684 7.615 12.570 1.00 0.00 H new ATOM 464 N ILE A 32 -21.733 6.305 10.295 1.00 0.00 N ATOM 465 CA ILE A 32 -21.420 6.191 8.851 1.00 0.00 C ATOM 466 C ILE A 32 -21.738 4.760 8.370 1.00 0.00 C ATOM 467 O ILE A 32 -22.540 4.074 8.998 1.00 0.00 O ATOM 468 CB ILE A 32 -19.981 6.638 8.494 1.00 0.00 C ATOM 469 CG1 ILE A 32 -18.905 5.891 9.298 1.00 0.00 C ATOM 470 CG2 ILE A 32 -19.860 8.165 8.588 1.00 0.00 C ATOM 471 CD1 ILE A 32 -17.509 5.964 8.669 1.00 0.00 C ATOM 0 H ILE A 32 -21.301 5.579 10.867 1.00 0.00 H new ATOM 0 HA ILE A 32 -22.058 6.892 8.312 1.00 0.00 H new ATOM 0 HB ILE A 32 -19.790 6.358 7.458 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -18.863 6.305 10.305 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -19.196 4.845 9.395 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -18.843 8.466 8.335 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -20.560 8.629 7.893 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -20.091 8.486 9.604 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -16.801 5.415 9.290 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -17.535 5.523 7.673 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -17.197 7.006 8.597 1.00 0.00 H new ATOM 483 N GLY A 33 -21.063 4.300 7.310 1.00 0.00 N ATOM 484 CA GLY A 33 -21.309 2.951 6.767 1.00 0.00 C ATOM 485 C GLY A 33 -20.384 2.581 5.607 1.00 0.00 C ATOM 486 O GLY A 33 -19.370 3.230 5.368 1.00 0.00 O ATOM 0 H GLY A 33 -20.349 4.832 6.813 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -21.187 2.219 7.566 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -22.344 2.887 6.431 1.00 0.00 H new ATOM 490 N ILE A 34 -20.985 1.773 4.743 1.00 0.00 N ATOM 491 CA ILE A 34 -20.364 1.082 3.593 1.00 0.00 C ATOM 492 C ILE A 34 -19.494 2.015 2.728 1.00 0.00 C ATOM 493 O ILE A 34 -18.274 1.931 2.808 1.00 0.00 O ATOM 494 CB ILE A 34 -21.446 0.273 2.831 1.00 0.00 C ATOM 495 CG1 ILE A 34 -21.964 -0.933 3.636 1.00 0.00 C ATOM 496 CG2 ILE A 34 -20.946 -0.289 1.493 1.00 0.00 C ATOM 497 CD1 ILE A 34 -22.739 -0.649 4.927 1.00 0.00 C ATOM 0 H ILE A 34 -21.980 1.562 4.821 1.00 0.00 H new ATOM 0 HA ILE A 34 -19.636 0.356 3.955 1.00 0.00 H new ATOM 0 HB ILE A 34 -22.241 1.000 2.666 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -22.607 -1.521 2.982 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -21.109 -1.559 3.889 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -21.749 -0.844 1.009 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -20.632 0.532 0.848 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -20.101 -0.954 1.671 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -23.040 -1.591 5.385 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -22.104 -0.096 5.619 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -23.625 -0.058 4.697 1.00 0.00 H new ATOM 509 N LEU A 35 -20.129 2.949 2.023 1.00 0.00 N ATOM 510 CA LEU A 35 -19.448 3.966 1.190 1.00 0.00 C ATOM 511 C LEU A 35 -18.526 4.939 1.954 1.00 0.00 C ATOM 512 O LEU A 35 -17.715 5.646 1.354 1.00 0.00 O ATOM 513 CB LEU A 35 -20.472 4.782 0.383 1.00 0.00 C ATOM 514 CG LEU A 35 -21.124 4.099 -0.836 1.00 0.00 C ATOM 515 CD1 LEU A 35 -20.087 3.555 -1.823 1.00 0.00 C ATOM 516 CD2 LEU A 35 -22.162 3.042 -0.446 1.00 0.00 C ATOM 0 H LEU A 35 -21.146 3.031 2.007 1.00 0.00 H new ATOM 0 HA LEU A 35 -18.800 3.384 0.535 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -21.267 5.089 1.062 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -19.980 5.691 0.036 1.00 0.00 H new ATOM 0 HG LEU A 35 -21.674 4.883 -1.357 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -20.597 3.084 -2.663 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -19.467 4.374 -2.188 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -19.458 2.819 -1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -22.585 2.598 -1.347 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -21.684 2.266 0.152 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -22.957 3.510 0.135 1.00 0.00 H new ATOM 528 N ASP A 36 -18.682 4.967 3.280 1.00 0.00 N ATOM 529 CA ASP A 36 -18.029 5.924 4.197 1.00 0.00 C ATOM 530 C ASP A 36 -18.308 7.359 3.702 1.00 0.00 C ATOM 531 O ASP A 36 -19.448 7.657 3.359 1.00 0.00 O ATOM 532 CB ASP A 36 -16.540 5.551 4.330 1.00 0.00 C ATOM 533 CG ASP A 36 -16.324 4.157 4.937 1.00 0.00 C ATOM 534 OD1 ASP A 36 -16.371 4.087 6.184 1.00 0.00 O ATOM 535 OD2 ASP A 36 -16.157 3.196 4.157 1.00 0.00 O ATOM 0 H ASP A 36 -19.285 4.305 3.768 1.00 0.00 H new ATOM 0 HA ASP A 36 -18.435 5.877 5.207 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -16.072 5.590 3.346 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -16.039 6.294 4.951 1.00 0.00 H new ATOM 540 N ASN A 37 -17.339 8.260 3.831 1.00 0.00 N ATOM 541 CA ASN A 37 -17.367 9.530 3.076 1.00 0.00 C ATOM 542 C ASN A 37 -16.260 9.631 2.011 1.00 0.00 C ATOM 543 O ASN A 37 -15.950 10.727 1.550 1.00 0.00 O ATOM 544 CB ASN A 37 -17.259 10.703 4.052 1.00 0.00 C ATOM 545 CG ASN A 37 -18.530 10.854 4.880 1.00 0.00 C ATOM 546 OD1 ASN A 37 -18.648 10.334 5.984 1.00 0.00 O ATOM 547 ND2 ASN A 37 -19.506 11.497 4.285 1.00 0.00 N ATOM 0 H ASN A 37 -16.529 8.147 4.441 1.00 0.00 H new ATOM 0 HA ASN A 37 -18.315 9.562 2.540 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -16.407 10.550 4.714 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -17.072 11.623 3.499 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -20.414 11.582 4.742 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -19.357 11.912 3.365 1.00 0.00 H new ATOM 554 N PHE A 38 -15.688 8.479 1.646 1.00 0.00 N ATOM 555 CA PHE A 38 -14.514 8.320 0.750 1.00 0.00 C ATOM 556 C PHE A 38 -13.332 9.318 0.865 1.00 0.00 C ATOM 557 O PHE A 38 -12.442 9.362 0.019 1.00 0.00 O ATOM 558 CB PHE A 38 -14.988 8.128 -0.702 1.00 0.00 C ATOM 559 CG PHE A 38 -15.878 9.258 -1.229 1.00 0.00 C ATOM 560 CD1 PHE A 38 -15.300 10.369 -1.827 1.00 0.00 C ATOM 561 CD2 PHE A 38 -17.255 9.192 -1.057 1.00 0.00 C ATOM 562 CE1 PHE A 38 -16.100 11.423 -2.247 1.00 0.00 C ATOM 563 CE2 PHE A 38 -18.056 10.250 -1.467 1.00 0.00 C ATOM 564 CZ PHE A 38 -17.478 11.365 -2.063 1.00 0.00 C ATOM 0 H PHE A 38 -16.041 7.582 1.978 1.00 0.00 H new ATOM 0 HA PHE A 38 -14.031 7.421 1.132 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -14.115 8.038 -1.348 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -15.535 7.188 -0.772 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -14.230 10.414 -1.965 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -17.702 8.319 -0.605 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -15.653 12.287 -2.716 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -19.125 10.207 -1.323 1.00 0.00 H new ATOM 0 HZ PHE A 38 -18.100 12.188 -2.384 1.00 0.00 H new ATOM 574 N PHE A 39 -13.315 10.046 1.981 1.00 0.00 N ATOM 575 CA PHE A 39 -12.299 11.058 2.329 1.00 0.00 C ATOM 576 C PHE A 39 -11.763 10.855 3.765 1.00 0.00 C ATOM 577 O PHE A 39 -10.843 10.070 3.970 1.00 0.00 O ATOM 578 CB PHE A 39 -12.938 12.437 2.090 1.00 0.00 C ATOM 579 CG PHE A 39 -12.028 13.626 2.412 1.00 0.00 C ATOM 580 CD1 PHE A 39 -11.102 14.058 1.471 1.00 0.00 C ATOM 581 CD2 PHE A 39 -12.229 14.362 3.576 1.00 0.00 C ATOM 582 CE1 PHE A 39 -10.382 15.226 1.690 1.00 0.00 C ATOM 583 CE2 PHE A 39 -11.504 15.526 3.797 1.00 0.00 C ATOM 584 CZ PHE A 39 -10.582 15.962 2.852 1.00 0.00 C ATOM 0 H PHE A 39 -14.032 9.949 2.699 1.00 0.00 H new ATOM 0 HA PHE A 39 -11.413 10.965 1.700 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -13.246 12.504 1.047 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -13.842 12.514 2.695 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -10.942 13.486 0.569 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -12.949 14.028 4.308 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -9.665 15.563 0.956 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -11.657 16.093 4.704 1.00 0.00 H new ATOM 0 HZ PHE A 39 -10.023 16.870 3.020 1.00 0.00 H new ATOM 594 N GLN A 40 -12.510 11.361 4.750 1.00 0.00 N ATOM 595 CA GLN A 40 -12.127 11.409 6.182 1.00 0.00 C ATOM 596 C GLN A 40 -11.531 10.142 6.833 1.00 0.00 C ATOM 597 O GLN A 40 -10.456 10.225 7.426 1.00 0.00 O ATOM 598 CB GLN A 40 -13.263 12.032 7.015 1.00 0.00 C ATOM 599 CG GLN A 40 -14.667 11.448 6.790 1.00 0.00 C ATOM 600 CD GLN A 40 -15.768 12.354 7.359 1.00 0.00 C ATOM 601 OE1 GLN A 40 -15.805 13.560 7.153 1.00 0.00 O ATOM 602 NE2 GLN A 40 -16.856 11.769 7.805 1.00 0.00 N ATOM 0 H GLN A 40 -13.431 11.764 4.577 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.249 12.055 6.187 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -13.012 11.925 8.070 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -13.298 13.100 6.802 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -14.832 11.304 5.722 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.729 10.465 7.257 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -16.858 10.765 7.987 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -17.699 12.318 7.970 1.00 0.00 H new ATOM 611 N ILE A 41 -12.088 8.979 6.494 1.00 0.00 N ATOM 612 CA ILE A 41 -11.590 7.652 6.943 1.00 0.00 C ATOM 613 C ILE A 41 -10.130 7.346 6.537 1.00 0.00 C ATOM 614 O ILE A 41 -9.427 6.647 7.262 1.00 0.00 O ATOM 615 CB ILE A 41 -12.501 6.468 6.539 1.00 0.00 C ATOM 616 CG1 ILE A 41 -12.615 6.168 5.029 1.00 0.00 C ATOM 617 CG2 ILE A 41 -13.851 6.541 7.262 1.00 0.00 C ATOM 618 CD1 ILE A 41 -13.204 7.255 4.121 1.00 0.00 C ATOM 0 H ILE A 41 -12.909 8.917 5.892 1.00 0.00 H new ATOM 0 HA ILE A 41 -11.617 7.745 8.029 1.00 0.00 H new ATOM 0 HB ILE A 41 -11.976 5.580 6.891 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -11.618 5.929 4.660 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -13.222 5.270 4.912 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -14.472 5.697 6.960 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -13.689 6.505 8.339 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -14.353 7.473 7.001 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -13.220 6.899 3.091 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -14.220 7.485 4.441 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -12.591 8.154 4.185 1.00 0.00 H new ATOM 630 N GLY A 42 -9.696 7.945 5.417 1.00 0.00 N ATOM 631 CA GLY A 42 -8.319 7.840 4.890 1.00 0.00 C ATOM 632 C GLY A 42 -7.235 8.325 5.868 1.00 0.00 C ATOM 633 O GLY A 42 -6.096 7.865 5.811 1.00 0.00 O ATOM 0 H GLY A 42 -10.301 8.528 4.839 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.119 6.801 4.629 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.248 8.419 3.969 1.00 0.00 H new ATOM 637 N GLY A 43 -7.607 9.301 6.709 1.00 0.00 N ATOM 638 CA GLY A 43 -6.708 9.814 7.759 1.00 0.00 C ATOM 639 C GLY A 43 -6.145 11.206 7.463 1.00 0.00 C ATOM 640 O GLY A 43 -5.054 11.344 6.917 1.00 0.00 O ATOM 0 H GLY A 43 -8.522 9.752 6.685 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.249 9.845 8.705 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.880 9.117 7.888 1.00 0.00 H new ATOM 644 N HIS A 44 -6.815 12.204 8.034 1.00 0.00 N ATOM 645 CA HIS A 44 -6.378 13.621 8.026 1.00 0.00 C ATOM 646 C HIS A 44 -5.078 13.908 8.821 1.00 0.00 C ATOM 647 O HIS A 44 -4.628 15.051 8.906 1.00 0.00 O ATOM 648 CB HIS A 44 -7.521 14.494 8.579 1.00 0.00 C ATOM 649 CG HIS A 44 -7.761 14.388 10.098 1.00 0.00 C ATOM 650 ND1 HIS A 44 -7.894 15.424 10.922 1.00 0.00 N ATOM 651 CD2 HIS A 44 -7.739 13.285 10.846 1.00 0.00 C ATOM 652 CE1 HIS A 44 -7.916 14.964 12.170 1.00 0.00 C ATOM 653 NE2 HIS A 44 -7.812 13.638 12.123 1.00 0.00 N ATOM 0 H HIS A 44 -7.696 12.060 8.528 1.00 0.00 H new ATOM 0 HA HIS A 44 -6.144 13.862 6.989 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -7.311 15.535 8.334 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -8.443 14.225 8.063 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -7.673 12.273 10.475 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -8.003 15.562 13.065 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -7.792 13.007 12.924 1.00 0.00 H new ATOM 662 N SER A 45 -4.500 12.848 9.391 1.00 0.00 N ATOM 663 CA SER A 45 -3.452 12.837 10.438 1.00 0.00 C ATOM 664 C SER A 45 -3.139 11.380 10.847 1.00 0.00 C ATOM 665 O SER A 45 -3.384 10.463 10.062 1.00 0.00 O ATOM 666 CB SER A 45 -3.871 13.687 11.653 1.00 0.00 C ATOM 667 OG SER A 45 -3.646 15.069 11.378 1.00 0.00 O ATOM 0 H SER A 45 -4.765 11.901 9.119 1.00 0.00 H new ATOM 0 HA SER A 45 -2.545 13.285 10.033 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.924 13.519 11.880 1.00 0.00 H new ATOM 0 HB3 SER A 45 -3.303 13.385 12.533 1.00 0.00 H new ATOM 0 HG SER A 45 -3.676 15.219 10.410 1.00 0.00 H new ATOM 673 N LEU A 46 -2.734 11.158 12.103 1.00 0.00 N ATOM 674 CA LEU A 46 -2.357 9.844 12.676 1.00 0.00 C ATOM 675 C LEU A 46 -3.376 8.687 12.606 1.00 0.00 C ATOM 676 O LEU A 46 -3.025 7.547 12.908 1.00 0.00 O ATOM 677 CB LEU A 46 -1.849 10.000 14.120 1.00 0.00 C ATOM 678 CG LEU A 46 -2.904 10.423 15.152 1.00 0.00 C ATOM 679 CD1 LEU A 46 -2.495 9.899 16.529 1.00 0.00 C ATOM 680 CD2 LEU A 46 -3.038 11.947 15.228 1.00 0.00 C ATOM 0 H LEU A 46 -2.654 11.915 12.782 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.570 9.523 11.994 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.415 9.052 14.438 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.045 10.736 14.126 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.863 10.006 14.845 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.240 10.196 17.267 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.427 8.812 16.499 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.526 10.316 16.804 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.794 12.209 15.969 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.081 12.382 15.516 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.335 12.335 14.254 1.00 0.00 H new ATOM 692 N LYS A 47 -4.606 8.958 12.163 1.00 0.00 N ATOM 693 CA LYS A 47 -5.642 7.931 11.905 1.00 0.00 C ATOM 694 C LYS A 47 -5.162 6.733 11.068 1.00 0.00 C ATOM 695 O LYS A 47 -5.524 5.599 11.373 1.00 0.00 O ATOM 696 CB LYS A 47 -6.874 8.556 11.243 1.00 0.00 C ATOM 697 CG LYS A 47 -7.958 9.062 12.208 1.00 0.00 C ATOM 698 CD LYS A 47 -7.585 10.274 13.072 1.00 0.00 C ATOM 699 CE LYS A 47 -6.927 9.894 14.402 1.00 0.00 C ATOM 700 NZ LYS A 47 -6.637 11.096 15.194 1.00 0.00 N ATOM 0 H LYS A 47 -4.924 9.907 11.968 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.896 7.536 12.889 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.547 9.390 10.622 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.321 7.818 10.577 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.843 9.316 11.625 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.237 8.242 12.870 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.907 10.916 12.510 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.483 10.858 13.273 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.585 9.231 14.964 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.005 9.344 14.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.191 10.821 16.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.992 11.715 14.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.523 11.605 15.389 1.00 0.00 H new ATOM 714 N ALA A 48 -4.213 6.982 10.161 1.00 0.00 N ATOM 715 CA ALA A 48 -3.504 5.931 9.403 1.00 0.00 C ATOM 716 C ALA A 48 -2.899 4.822 10.287 1.00 0.00 C ATOM 717 O ALA A 48 -3.060 3.646 9.970 1.00 0.00 O ATOM 718 CB ALA A 48 -2.407 6.576 8.549 1.00 0.00 C ATOM 0 H ALA A 48 -3.908 7.926 9.925 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.249 5.441 8.776 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.881 5.803 7.988 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.857 7.286 7.855 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.702 7.098 9.196 1.00 0.00 H new ATOM 724 N MET A 49 -2.403 5.192 11.471 1.00 0.00 N ATOM 725 CA MET A 49 -1.874 4.254 12.488 1.00 0.00 C ATOM 726 C MET A 49 -2.977 3.335 13.044 1.00 0.00 C ATOM 727 O MET A 49 -2.852 2.113 13.007 1.00 0.00 O ATOM 728 CB MET A 49 -1.229 5.009 13.659 1.00 0.00 C ATOM 729 CG MET A 49 -0.057 5.910 13.258 1.00 0.00 C ATOM 730 SD MET A 49 1.372 5.008 12.558 1.00 0.00 S ATOM 731 CE MET A 49 2.494 6.371 12.327 1.00 0.00 C ATOM 0 H MET A 49 -2.353 6.168 11.763 1.00 0.00 H new ATOM 0 HA MET A 49 -1.122 3.646 11.985 1.00 0.00 H new ATOM 0 HB2 MET A 49 -1.990 5.618 14.147 1.00 0.00 H new ATOM 0 HB3 MET A 49 -0.880 4.285 14.395 1.00 0.00 H new ATOM 0 HG2 MET A 49 -0.407 6.639 12.527 1.00 0.00 H new ATOM 0 HG3 MET A 49 0.273 6.470 14.133 1.00 0.00 H new ATOM 0 HE1 MET A 49 3.429 6.005 11.903 1.00 0.00 H new ATOM 0 HE2 MET A 49 2.048 7.098 11.648 1.00 0.00 H new ATOM 0 HE3 MET A 49 2.692 6.846 13.288 1.00 0.00 H new ATOM 741 N ALA A 50 -4.100 3.943 13.436 1.00 0.00 N ATOM 742 CA ALA A 50 -5.310 3.229 13.897 1.00 0.00 C ATOM 743 C ALA A 50 -5.901 2.310 12.811 1.00 0.00 C ATOM 744 O ALA A 50 -6.325 1.190 13.100 1.00 0.00 O ATOM 745 CB ALA A 50 -6.359 4.245 14.359 1.00 0.00 C ATOM 0 H ALA A 50 -4.203 4.958 13.445 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.019 2.589 14.730 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.251 3.718 14.699 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.954 4.839 15.178 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.620 4.902 13.529 1.00 0.00 H new ATOM 751 N VAL A 51 -5.892 2.788 11.566 1.00 0.00 N ATOM 752 CA VAL A 51 -6.263 1.987 10.379 1.00 0.00 C ATOM 753 C VAL A 51 -5.299 0.792 10.226 1.00 0.00 C ATOM 754 O VAL A 51 -5.751 -0.347 10.252 1.00 0.00 O ATOM 755 CB VAL A 51 -6.311 2.842 9.095 1.00 0.00 C ATOM 756 CG1 VAL A 51 -6.734 2.004 7.882 1.00 0.00 C ATOM 757 CG2 VAL A 51 -7.284 4.019 9.223 1.00 0.00 C ATOM 0 H VAL A 51 -5.627 3.747 11.342 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.272 1.604 10.533 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.300 3.224 8.952 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.758 2.636 6.994 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.020 1.194 7.732 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.725 1.586 8.057 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.285 4.593 8.296 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.288 3.642 9.417 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.972 4.661 10.047 1.00 0.00 H new ATOM 767 N ALA A 52 -3.994 1.063 10.229 1.00 0.00 N ATOM 768 CA ALA A 52 -2.934 0.033 10.152 1.00 0.00 C ATOM 769 C ALA A 52 -3.047 -1.035 11.254 1.00 0.00 C ATOM 770 O ALA A 52 -2.948 -2.222 10.958 1.00 0.00 O ATOM 771 CB ALA A 52 -1.555 0.692 10.206 1.00 0.00 C ATOM 0 H ALA A 52 -3.629 2.014 10.285 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.067 -0.480 9.200 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.783 -0.075 10.149 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.447 1.379 9.367 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.451 1.242 11.141 1.00 0.00 H new ATOM 777 N ALA A 53 -3.388 -0.614 12.474 1.00 0.00 N ATOM 778 CA ALA A 53 -3.696 -1.527 13.598 1.00 0.00 C ATOM 779 C ALA A 53 -4.845 -2.500 13.269 1.00 0.00 C ATOM 780 O ALA A 53 -4.649 -3.716 13.288 1.00 0.00 O ATOM 781 CB ALA A 53 -4.021 -0.700 14.846 1.00 0.00 C ATOM 0 H ALA A 53 -3.461 0.373 12.720 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.816 -2.143 13.784 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.249 -1.368 15.676 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.163 -0.079 15.105 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.883 -0.063 14.646 1.00 0.00 H new ATOM 787 N GLN A 54 -5.956 -1.945 12.779 1.00 0.00 N ATOM 788 CA GLN A 54 -7.121 -2.708 12.278 1.00 0.00 C ATOM 789 C GLN A 54 -6.775 -3.620 11.086 1.00 0.00 C ATOM 790 O GLN A 54 -7.137 -4.793 11.074 1.00 0.00 O ATOM 791 CB GLN A 54 -8.241 -1.751 11.857 1.00 0.00 C ATOM 792 CG GLN A 54 -8.907 -1.059 13.049 1.00 0.00 C ATOM 793 CD GLN A 54 -9.798 0.086 12.567 1.00 0.00 C ATOM 794 OE1 GLN A 54 -10.915 -0.084 12.102 1.00 0.00 O ATOM 795 NE2 GLN A 54 -9.261 1.284 12.588 1.00 0.00 N ATOM 0 H GLN A 54 -6.082 -0.935 12.715 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.447 -3.344 13.102 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.834 -0.996 11.185 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.994 -2.304 11.296 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -9.501 -1.779 13.611 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.145 -0.675 13.728 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.328 1.418 12.978 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.777 2.081 12.214 1.00 0.00 H new ATOM 804 N VAL A 55 -6.023 -3.083 10.132 1.00 0.00 N ATOM 805 CA VAL A 55 -5.555 -3.815 8.935 1.00 0.00 C ATOM 806 C VAL A 55 -4.552 -4.941 9.284 1.00 0.00 C ATOM 807 O VAL A 55 -4.512 -5.968 8.614 1.00 0.00 O ATOM 808 CB VAL A 55 -5.043 -2.820 7.870 1.00 0.00 C ATOM 809 CG1 VAL A 55 -4.567 -3.521 6.596 1.00 0.00 C ATOM 810 CG2 VAL A 55 -6.152 -1.852 7.441 1.00 0.00 C ATOM 0 H VAL A 55 -5.710 -2.112 10.158 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.402 -4.341 8.494 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.213 -2.294 8.342 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.217 -2.777 5.880 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.751 -4.202 6.839 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.393 -4.084 6.160 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.764 -1.163 6.691 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.984 -2.416 7.020 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.498 -1.288 8.307 1.00 0.00 H new ATOM 820 N HIS A 56 -3.752 -4.746 10.327 1.00 0.00 N ATOM 821 CA HIS A 56 -2.870 -5.798 10.872 1.00 0.00 C ATOM 822 C HIS A 56 -3.652 -6.939 11.552 1.00 0.00 C ATOM 823 O HIS A 56 -3.360 -8.108 11.322 1.00 0.00 O ATOM 824 CB HIS A 56 -1.880 -5.148 11.847 1.00 0.00 C ATOM 825 CG HIS A 56 -0.571 -5.915 12.079 1.00 0.00 C ATOM 826 ND1 HIS A 56 -0.034 -6.869 11.316 1.00 0.00 N flip ATOM 827 CD2 HIS A 56 0.360 -5.540 12.953 1.00 0.00 C flip ATOM 828 CE1 HIS A 56 1.227 -7.051 11.697 1.00 0.00 C flip ATOM 829 NE2 HIS A 56 1.469 -6.232 12.715 1.00 0.00 N flip ATOM 0 H HIS A 56 -3.689 -3.858 10.825 1.00 0.00 H new ATOM 0 HA HIS A 56 -2.333 -6.261 10.044 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -1.635 -4.152 11.477 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -2.378 -5.017 12.808 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.235 -4.797 13.727 1.00 0.00 H new ATOM 0 HE1 HIS A 56 1.930 -7.742 11.257 1.00 0.00 H new ATOM 0 HE2 HIS A 56 2.349 -6.149 13.223 1.00 0.00 H new ATOM 838 N ARG A 57 -4.671 -6.588 12.337 1.00 0.00 N ATOM 839 CA ARG A 57 -5.504 -7.582 13.052 1.00 0.00 C ATOM 840 C ARG A 57 -6.634 -8.227 12.220 1.00 0.00 C ATOM 841 O ARG A 57 -6.557 -9.400 11.866 1.00 0.00 O ATOM 842 CB ARG A 57 -5.973 -7.027 14.409 1.00 0.00 C ATOM 843 CG ARG A 57 -6.885 -5.794 14.343 1.00 0.00 C ATOM 844 CD ARG A 57 -7.029 -5.102 15.699 1.00 0.00 C ATOM 845 NE ARG A 57 -5.771 -4.409 16.034 1.00 0.00 N ATOM 846 CZ ARG A 57 -5.488 -3.765 17.167 1.00 0.00 C ATOM 847 NH1 ARG A 57 -6.323 -3.732 18.196 1.00 0.00 N ATOM 848 NH2 ARG A 57 -4.304 -3.191 17.315 1.00 0.00 N ATOM 0 H ARG A 57 -4.948 -5.620 12.501 1.00 0.00 H new ATOM 0 HA ARG A 57 -4.849 -8.431 13.246 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -6.500 -7.818 14.942 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.094 -6.775 15.001 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.483 -5.086 13.618 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.870 -6.093 13.984 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.853 -4.389 15.670 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.269 -5.835 16.469 1.00 0.00 H new ATOM 0 HE ARG A 57 -5.039 -4.424 15.323 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.222 -4.211 18.139 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.067 -3.227 19.045 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -3.615 -3.243 16.565 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.081 -2.697 18.179 1.00 0.00 H new ATOM 862 N GLU A 58 -7.570 -7.401 11.757 1.00 0.00 N ATOM 863 CA GLU A 58 -8.789 -7.811 11.026 1.00 0.00 C ATOM 864 C GLU A 58 -8.523 -8.176 9.551 1.00 0.00 C ATOM 865 O GLU A 58 -9.261 -8.966 8.968 1.00 0.00 O ATOM 866 CB GLU A 58 -9.800 -6.661 11.119 1.00 0.00 C ATOM 867 CG GLU A 58 -11.226 -7.054 10.716 1.00 0.00 C ATOM 868 CD GLU A 58 -11.958 -7.813 11.825 1.00 0.00 C ATOM 869 OE1 GLU A 58 -11.868 -9.060 11.832 1.00 0.00 O ATOM 870 OE2 GLU A 58 -12.628 -7.123 12.624 1.00 0.00 O ATOM 0 H GLU A 58 -7.508 -6.390 11.880 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.177 -8.719 11.487 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.813 -6.283 12.141 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -9.465 -5.843 10.481 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.789 -6.156 10.461 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.190 -7.672 9.819 1.00 0.00 H new ATOM 877 N TYR A 59 -7.551 -7.494 8.945 1.00 0.00 N ATOM 878 CA TYR A 59 -7.167 -7.703 7.532 1.00 0.00 C ATOM 879 C TYR A 59 -5.888 -8.551 7.363 1.00 0.00 C ATOM 880 O TYR A 59 -5.549 -8.931 6.243 1.00 0.00 O ATOM 881 CB TYR A 59 -6.946 -6.361 6.815 1.00 0.00 C ATOM 882 CG TYR A 59 -8.142 -5.410 6.671 1.00 0.00 C ATOM 883 CD1 TYR A 59 -8.852 -4.951 7.776 1.00 0.00 C ATOM 884 CD2 TYR A 59 -8.419 -4.873 5.418 1.00 0.00 C ATOM 885 CE1 TYR A 59 -9.849 -4.000 7.625 1.00 0.00 C ATOM 886 CE2 TYR A 59 -9.410 -3.913 5.261 1.00 0.00 C ATOM 887 CZ TYR A 59 -10.136 -3.485 6.365 1.00 0.00 C ATOM 888 OH TYR A 59 -11.174 -2.627 6.217 1.00 0.00 O ATOM 0 H TYR A 59 -7.000 -6.776 9.415 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.001 -8.247 7.088 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -6.157 -5.826 7.345 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.569 -6.576 5.815 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.625 -5.338 8.758 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.857 -5.206 4.558 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.404 -3.658 8.486 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.615 -3.501 4.284 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.299 -2.119 7.045 1.00 0.00 H new ATOM 898 N GLN A 60 -5.197 -8.813 8.478 1.00 0.00 N ATOM 899 CA GLN A 60 -3.871 -9.465 8.600 1.00 0.00 C ATOM 900 C GLN A 60 -2.699 -8.713 7.933 1.00 0.00 C ATOM 901 O GLN A 60 -1.774 -8.279 8.613 1.00 0.00 O ATOM 902 CB GLN A 60 -3.913 -10.925 8.128 1.00 0.00 C ATOM 903 CG GLN A 60 -2.667 -11.699 8.578 1.00 0.00 C ATOM 904 CD GLN A 60 -2.403 -12.927 7.704 1.00 0.00 C ATOM 905 OE1 GLN A 60 -2.408 -12.891 6.484 1.00 0.00 O ATOM 906 NE2 GLN A 60 -2.038 -14.024 8.329 1.00 0.00 N ATOM 0 H GLN A 60 -5.571 -8.559 9.392 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.659 -9.433 9.669 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.806 -11.410 8.522 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.988 -10.955 7.041 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -1.800 -11.039 8.546 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.791 -12.013 9.615 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.034 -14.053 9.349 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.758 -14.847 7.794 1.00 0.00 H new ATOM 915 N VAL A 61 -2.852 -8.432 6.640 1.00 0.00 N ATOM 916 CA VAL A 61 -1.792 -7.977 5.704 1.00 0.00 C ATOM 917 C VAL A 61 -1.214 -6.559 5.987 1.00 0.00 C ATOM 918 O VAL A 61 -0.342 -6.084 5.261 1.00 0.00 O ATOM 919 CB VAL A 61 -2.277 -8.134 4.236 1.00 0.00 C ATOM 920 CG1 VAL A 61 -1.113 -8.145 3.236 1.00 0.00 C ATOM 921 CG2 VAL A 61 -3.112 -9.395 3.968 1.00 0.00 C ATOM 0 H VAL A 61 -3.759 -8.516 6.181 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.939 -8.633 5.877 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.911 -7.259 4.093 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.503 -8.257 2.224 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.561 -7.208 3.310 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.447 -8.978 3.462 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.406 -9.420 2.919 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.519 -10.280 4.200 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.004 -9.381 4.595 1.00 0.00 H new ATOM 931 N GLU A 62 -1.649 -5.927 7.080 1.00 0.00 N ATOM 932 CA GLU A 62 -1.219 -4.617 7.646 1.00 0.00 C ATOM 933 C GLU A 62 -1.228 -3.329 6.797 1.00 0.00 C ATOM 934 O GLU A 62 -1.597 -2.274 7.310 1.00 0.00 O ATOM 935 CB GLU A 62 0.092 -4.724 8.444 1.00 0.00 C ATOM 936 CG GLU A 62 1.359 -5.029 7.636 1.00 0.00 C ATOM 937 CD GLU A 62 2.599 -5.114 8.529 1.00 0.00 C ATOM 938 OE1 GLU A 62 3.029 -4.037 9.001 1.00 0.00 O ATOM 939 OE2 GLU A 62 3.164 -6.225 8.618 1.00 0.00 O ATOM 0 H GLU A 62 -2.379 -6.347 7.655 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.085 -4.441 8.284 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.245 -3.786 8.978 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.029 -5.503 9.197 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.231 -5.971 7.102 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.506 -4.253 6.884 1.00 0.00 H new ATOM 946 N LEU A 63 -0.848 -3.449 5.527 1.00 0.00 N ATOM 947 CA LEU A 63 -0.686 -2.385 4.507 1.00 0.00 C ATOM 948 C LEU A 63 -1.453 -1.052 4.710 1.00 0.00 C ATOM 949 O LEU A 63 -2.546 -0.860 4.165 1.00 0.00 O ATOM 950 CB LEU A 63 -0.838 -2.964 3.084 1.00 0.00 C ATOM 951 CG LEU A 63 -2.231 -3.420 2.610 1.00 0.00 C ATOM 952 CD1 LEU A 63 -2.171 -3.755 1.120 1.00 0.00 C ATOM 953 CD2 LEU A 63 -2.761 -4.649 3.348 1.00 0.00 C ATOM 0 H LEU A 63 -0.624 -4.366 5.140 1.00 0.00 H new ATOM 0 HA LEU A 63 0.339 -2.045 4.657 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.482 -2.210 2.382 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.166 -3.819 3.003 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.910 -2.593 2.820 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.155 -4.078 0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.866 -2.871 0.560 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.449 -4.555 0.956 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.745 -4.910 2.960 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.078 -5.486 3.199 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.838 -4.429 4.413 1.00 0.00 H new ATOM 965 N PRO A 64 -0.834 -0.095 5.424 1.00 0.00 N ATOM 966 CA PRO A 64 -1.440 1.222 5.699 1.00 0.00 C ATOM 967 C PRO A 64 -1.584 2.047 4.415 1.00 0.00 C ATOM 968 O PRO A 64 -0.808 1.891 3.472 1.00 0.00 O ATOM 969 CB PRO A 64 -0.498 1.887 6.704 1.00 0.00 C ATOM 970 CG PRO A 64 0.866 1.284 6.373 1.00 0.00 C ATOM 971 CD PRO A 64 0.535 -0.158 5.984 1.00 0.00 C ATOM 0 HA PRO A 64 -2.451 1.135 6.097 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -0.494 2.971 6.593 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -0.792 1.673 7.731 1.00 0.00 H new ATOM 0 HG2 PRO A 64 1.353 1.818 5.557 1.00 0.00 H new ATOM 0 HG3 PRO A 64 1.541 1.324 7.228 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.245 -0.543 5.251 1.00 0.00 H new ATOM 0 HD3 PRO A 64 0.579 -0.821 6.848 1.00 0.00 H new ATOM 979 N LEU A 65 -2.643 2.855 4.392 1.00 0.00 N ATOM 980 CA LEU A 65 -3.049 3.749 3.280 1.00 0.00 C ATOM 981 C LEU A 65 -3.490 3.037 1.983 1.00 0.00 C ATOM 982 O LEU A 65 -4.493 3.442 1.400 1.00 0.00 O ATOM 983 CB LEU A 65 -1.978 4.829 3.037 1.00 0.00 C ATOM 984 CG LEU A 65 -2.417 5.958 2.096 1.00 0.00 C ATOM 985 CD1 LEU A 65 -1.859 7.290 2.600 1.00 0.00 C ATOM 986 CD2 LEU A 65 -1.909 5.713 0.672 1.00 0.00 C ATOM 0 H LEU A 65 -3.282 2.916 5.185 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.966 4.236 3.613 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.693 5.262 3.996 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.088 4.354 2.624 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.507 5.986 2.081 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.171 8.092 1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.237 7.487 3.603 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.770 7.242 2.626 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.234 6.528 0.025 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.820 5.666 0.677 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.311 4.771 0.299 1.00 0.00 H new ATOM 998 N LYS A 66 -2.826 1.945 1.606 1.00 0.00 N ATOM 999 CA LYS A 66 -3.182 1.114 0.435 1.00 0.00 C ATOM 1000 C LYS A 66 -4.647 0.643 0.434 1.00 0.00 C ATOM 1001 O LYS A 66 -5.471 1.240 -0.261 1.00 0.00 O ATOM 1002 CB LYS A 66 -2.229 -0.075 0.286 1.00 0.00 C ATOM 1003 CG LYS A 66 -1.016 0.244 -0.586 1.00 0.00 C ATOM 1004 CD LYS A 66 -0.297 -1.062 -0.931 1.00 0.00 C ATOM 1005 CE LYS A 66 0.773 -0.867 -2.004 1.00 0.00 C ATOM 1006 NZ LYS A 66 1.330 -2.166 -2.409 1.00 0.00 N ATOM 0 H LYS A 66 -2.009 1.599 2.109 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.071 1.765 -0.432 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.889 -0.388 1.273 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.770 -0.917 -0.146 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.330 0.754 -1.497 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.341 0.919 -0.060 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.164 -1.470 -0.031 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.026 -1.795 -1.276 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.343 -0.362 -2.869 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.568 -0.225 -1.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.056 -2.020 -3.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.757 -2.633 -1.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.571 -2.765 -2.791 1.00 0.00 H new ATOM 1020 N VAL A 67 -4.980 -0.325 1.294 1.00 0.00 N ATOM 1021 CA VAL A 67 -6.363 -0.827 1.476 1.00 0.00 C ATOM 1022 C VAL A 67 -7.211 0.137 2.347 1.00 0.00 C ATOM 1023 O VAL A 67 -7.767 -0.190 3.393 1.00 0.00 O ATOM 1024 CB VAL A 67 -6.315 -2.300 1.935 1.00 0.00 C ATOM 1025 CG1 VAL A 67 -5.781 -2.494 3.355 1.00 0.00 C ATOM 1026 CG2 VAL A 67 -7.659 -3.008 1.741 1.00 0.00 C ATOM 0 H VAL A 67 -4.298 -0.792 1.892 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.901 -0.834 0.528 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.586 -2.775 1.278 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.779 -3.556 3.601 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.765 -2.105 3.418 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.418 -1.959 4.060 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.578 -4.042 2.077 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.427 -2.497 2.322 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.931 -2.990 0.686 1.00 0.00 H new ATOM 1036 N LEU A 68 -7.173 1.386 1.900 1.00 0.00 N ATOM 1037 CA LEU A 68 -7.798 2.559 2.531 1.00 0.00 C ATOM 1038 C LEU A 68 -8.076 3.613 1.441 1.00 0.00 C ATOM 1039 O LEU A 68 -9.105 3.515 0.784 1.00 0.00 O ATOM 1040 CB LEU A 68 -6.869 3.047 3.656 1.00 0.00 C ATOM 1041 CG LEU A 68 -7.369 4.262 4.442 1.00 0.00 C ATOM 1042 CD1 LEU A 68 -8.647 3.956 5.233 1.00 0.00 C ATOM 1043 CD2 LEU A 68 -6.246 4.731 5.365 1.00 0.00 C ATOM 0 H LEU A 68 -6.680 1.629 1.041 1.00 0.00 H new ATOM 0 HA LEU A 68 -8.759 2.328 2.990 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.709 2.225 4.354 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.899 3.290 3.223 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.633 5.054 3.741 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.963 4.848 5.774 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -9.436 3.650 4.546 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.452 3.152 5.942 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.582 5.597 5.935 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.979 3.927 6.050 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.375 5.004 4.769 1.00 0.00 H new ATOM 1055 N PHE A 69 -7.050 4.362 1.038 1.00 0.00 N ATOM 1056 CA PHE A 69 -7.140 5.386 -0.024 1.00 0.00 C ATOM 1057 C PHE A 69 -7.550 4.837 -1.400 1.00 0.00 C ATOM 1058 O PHE A 69 -8.458 5.373 -2.028 1.00 0.00 O ATOM 1059 CB PHE A 69 -5.810 6.128 -0.139 1.00 0.00 C ATOM 1060 CG PHE A 69 -5.852 7.465 0.603 1.00 0.00 C ATOM 1061 CD1 PHE A 69 -5.594 7.533 1.968 1.00 0.00 C ATOM 1062 CD2 PHE A 69 -6.129 8.621 -0.113 1.00 0.00 C ATOM 1063 CE1 PHE A 69 -5.599 8.767 2.609 1.00 0.00 C ATOM 1064 CE2 PHE A 69 -6.142 9.852 0.530 1.00 0.00 C ATOM 1065 CZ PHE A 69 -5.876 9.925 1.891 1.00 0.00 C ATOM 0 H PHE A 69 -6.116 4.280 1.440 1.00 0.00 H new ATOM 0 HA PHE A 69 -7.939 6.063 0.279 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -5.010 5.509 0.268 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -5.577 6.300 -1.190 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.391 6.632 2.527 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.335 8.563 -1.172 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.387 8.826 3.666 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.359 10.751 -0.028 1.00 0.00 H new ATOM 0 HZ PHE A 69 -5.884 10.882 2.392 1.00 0.00 H new ATOM 1075 N ALA A 70 -6.958 3.705 -1.787 1.00 0.00 N ATOM 1076 CA ALA A 70 -7.311 2.989 -3.033 1.00 0.00 C ATOM 1077 C ALA A 70 -8.759 2.459 -3.072 1.00 0.00 C ATOM 1078 O ALA A 70 -9.315 2.241 -4.147 1.00 0.00 O ATOM 1079 CB ALA A 70 -6.331 1.837 -3.264 1.00 0.00 C ATOM 0 H ALA A 70 -6.218 3.252 -1.250 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.239 3.726 -3.833 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.595 1.313 -4.183 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.319 2.232 -3.350 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.380 1.144 -2.424 1.00 0.00 H new ATOM 1085 N GLN A 71 -9.340 2.258 -1.889 1.00 0.00 N ATOM 1086 CA GLN A 71 -10.693 1.687 -1.721 1.00 0.00 C ATOM 1087 C GLN A 71 -11.380 2.154 -0.413 1.00 0.00 C ATOM 1088 O GLN A 71 -11.648 1.345 0.481 1.00 0.00 O ATOM 1089 CB GLN A 71 -10.610 0.159 -1.891 1.00 0.00 C ATOM 1090 CG GLN A 71 -9.626 -0.552 -0.952 1.00 0.00 C ATOM 1091 CD GLN A 71 -9.305 -1.956 -1.462 1.00 0.00 C ATOM 1092 OE1 GLN A 71 -10.135 -2.852 -1.500 1.00 0.00 O ATOM 1093 NE2 GLN A 71 -8.106 -2.116 -1.979 1.00 0.00 N ATOM 0 H GLN A 71 -8.886 2.487 -1.005 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.353 2.070 -2.499 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.603 -0.262 -1.736 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.328 -0.061 -2.921 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.708 0.030 -0.873 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.052 -0.613 0.049 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.427 -1.356 -1.937 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.855 -3.000 -2.422 1.00 0.00 H new ATOM 1102 N PRO A 72 -11.786 3.437 -0.348 1.00 0.00 N ATOM 1103 CA PRO A 72 -12.303 4.076 0.886 1.00 0.00 C ATOM 1104 C PRO A 72 -13.776 3.760 1.213 1.00 0.00 C ATOM 1105 O PRO A 72 -14.504 4.563 1.800 1.00 0.00 O ATOM 1106 CB PRO A 72 -12.027 5.563 0.654 1.00 0.00 C ATOM 1107 CG PRO A 72 -12.236 5.728 -0.851 1.00 0.00 C ATOM 1108 CD PRO A 72 -11.692 4.428 -1.441 1.00 0.00 C ATOM 0 HA PRO A 72 -11.810 3.688 1.778 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -12.708 6.193 1.226 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.015 5.836 0.952 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -13.289 5.868 -1.095 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.701 6.596 -1.236 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -12.274 4.115 -2.308 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.662 4.548 -1.776 1.00 0.00 H new ATOM 1116 N THR A 73 -14.111 2.496 0.979 1.00 0.00 N ATOM 1117 CA THR A 73 -15.464 1.912 1.099 1.00 0.00 C ATOM 1118 C THR A 73 -15.354 0.446 1.535 1.00 0.00 C ATOM 1119 O THR A 73 -14.670 -0.359 0.900 1.00 0.00 O ATOM 1120 CB THR A 73 -16.282 2.048 -0.207 1.00 0.00 C ATOM 1121 OG1 THR A 73 -17.521 1.337 -0.101 1.00 0.00 O ATOM 1122 CG2 THR A 73 -15.536 1.617 -1.479 1.00 0.00 C ATOM 0 H THR A 73 -13.419 1.807 0.685 1.00 0.00 H new ATOM 0 HA THR A 73 -16.007 2.473 1.859 1.00 0.00 H new ATOM 0 HB THR A 73 -16.467 3.116 -0.319 1.00 0.00 H new ATOM 0 HG1 THR A 73 -17.842 1.376 0.824 1.00 0.00 H new ATOM 0 HG21 THR A 73 -16.187 1.747 -2.344 1.00 0.00 H new ATOM 0 HG22 THR A 73 -14.643 2.229 -1.602 1.00 0.00 H new ATOM 0 HG23 THR A 73 -15.249 0.569 -1.395 1.00 0.00 H new ATOM 1130 N ILE A 74 -16.143 0.111 2.552 1.00 0.00 N ATOM 1131 CA ILE A 74 -16.180 -1.252 3.122 1.00 0.00 C ATOM 1132 C ILE A 74 -16.625 -2.337 2.118 1.00 0.00 C ATOM 1133 O ILE A 74 -16.163 -3.469 2.208 1.00 0.00 O ATOM 1134 CB ILE A 74 -16.883 -1.248 4.497 1.00 0.00 C ATOM 1135 CG1 ILE A 74 -16.090 -2.053 5.541 1.00 0.00 C ATOM 1136 CG2 ILE A 74 -18.369 -1.620 4.488 1.00 0.00 C ATOM 1137 CD1 ILE A 74 -15.907 -3.562 5.312 1.00 0.00 C ATOM 0 H ILE A 74 -16.776 0.767 3.010 1.00 0.00 H new ATOM 0 HA ILE A 74 -15.158 -1.568 3.329 1.00 0.00 H new ATOM 0 HB ILE A 74 -16.884 -0.199 4.794 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -15.099 -1.606 5.623 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -16.580 -1.920 6.506 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -18.759 -1.585 5.505 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -18.917 -0.914 3.864 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -18.490 -2.627 4.088 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -15.328 -3.987 6.132 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -16.883 -4.045 5.269 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -15.380 -3.726 4.372 1.00 0.00 H new ATOM 1149 N LYS A 75 -17.322 -1.917 1.060 1.00 0.00 N ATOM 1150 CA LYS A 75 -17.680 -2.763 -0.099 1.00 0.00 C ATOM 1151 C LYS A 75 -16.410 -3.418 -0.692 1.00 0.00 C ATOM 1152 O LYS A 75 -16.198 -4.622 -0.553 1.00 0.00 O ATOM 1153 CB LYS A 75 -18.424 -1.840 -1.081 1.00 0.00 C ATOM 1154 CG LYS A 75 -18.976 -2.447 -2.377 1.00 0.00 C ATOM 1155 CD LYS A 75 -17.913 -2.568 -3.475 1.00 0.00 C ATOM 1156 CE LYS A 75 -18.516 -2.861 -4.850 1.00 0.00 C ATOM 1157 NZ LYS A 75 -19.202 -1.684 -5.406 1.00 0.00 N ATOM 0 H LYS A 75 -17.664 -0.960 0.976 1.00 0.00 H new ATOM 0 HA LYS A 75 -18.327 -3.599 0.166 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -19.258 -1.388 -0.544 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -17.746 -1.032 -1.355 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -19.387 -3.434 -2.165 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -19.799 -1.831 -2.740 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -17.340 -1.642 -3.524 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -17.214 -3.362 -3.213 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -17.728 -3.179 -5.533 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -19.221 -3.689 -4.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -19.449 -1.864 -6.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -20.069 -1.498 -4.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -18.574 -0.857 -5.349 1.00 0.00 H new ATOM 1171 N ALA A 76 -15.492 -2.563 -1.143 1.00 0.00 N ATOM 1172 CA ALA A 76 -14.195 -2.981 -1.712 1.00 0.00 C ATOM 1173 C ALA A 76 -13.231 -3.576 -0.669 1.00 0.00 C ATOM 1174 O ALA A 76 -12.574 -4.575 -0.953 1.00 0.00 O ATOM 1175 CB ALA A 76 -13.560 -1.801 -2.442 1.00 0.00 C ATOM 0 H ALA A 76 -15.621 -1.551 -1.127 1.00 0.00 H new ATOM 0 HA ALA A 76 -14.393 -3.789 -2.417 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -12.602 -2.106 -2.863 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -14.220 -1.471 -3.244 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -13.403 -0.981 -1.741 1.00 0.00 H new ATOM 1181 N LEU A 77 -13.273 -3.049 0.558 1.00 0.00 N ATOM 1182 CA LEU A 77 -12.516 -3.601 1.705 1.00 0.00 C ATOM 1183 C LEU A 77 -12.881 -5.069 2.008 1.00 0.00 C ATOM 1184 O LEU A 77 -12.006 -5.933 2.030 1.00 0.00 O ATOM 1185 CB LEU A 77 -12.728 -2.733 2.956 1.00 0.00 C ATOM 1186 CG LEU A 77 -12.283 -1.271 2.805 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -12.711 -0.457 4.026 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -10.768 -1.154 2.645 1.00 0.00 C ATOM 0 H LEU A 77 -13.830 -2.228 0.793 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.463 -3.584 1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.786 -2.751 3.219 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -12.184 -3.180 3.788 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.761 -0.882 1.906 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.389 0.577 3.905 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -13.796 -0.490 4.123 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.254 -0.877 4.922 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -10.493 -0.104 2.541 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.276 -1.573 3.523 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.453 -1.701 1.757 1.00 0.00 H new ATOM 1200 N ALA A 78 -14.183 -5.357 2.056 1.00 0.00 N ATOM 1201 CA ALA A 78 -14.721 -6.725 2.221 1.00 0.00 C ATOM 1202 C ALA A 78 -14.319 -7.656 1.064 1.00 0.00 C ATOM 1203 O ALA A 78 -13.887 -8.775 1.318 1.00 0.00 O ATOM 1204 CB ALA A 78 -16.246 -6.692 2.364 1.00 0.00 C ATOM 0 H ALA A 78 -14.909 -4.644 1.981 1.00 0.00 H new ATOM 0 HA ALA A 78 -14.282 -7.129 3.133 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -16.622 -7.708 2.484 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -16.517 -6.099 3.238 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -16.686 -6.246 1.472 1.00 0.00 H new ATOM 1210 N GLN A 79 -14.354 -7.134 -0.162 1.00 0.00 N ATOM 1211 CA GLN A 79 -13.798 -7.800 -1.360 1.00 0.00 C ATOM 1212 C GLN A 79 -12.303 -8.159 -1.183 1.00 0.00 C ATOM 1213 O GLN A 79 -11.916 -9.317 -1.314 1.00 0.00 O ATOM 1214 CB GLN A 79 -14.026 -6.852 -2.546 1.00 0.00 C ATOM 1215 CG GLN A 79 -13.324 -7.259 -3.850 1.00 0.00 C ATOM 1216 CD GLN A 79 -12.652 -6.081 -4.574 1.00 0.00 C ATOM 1217 OE1 GLN A 79 -12.676 -5.979 -5.790 1.00 0.00 O ATOM 1218 NE2 GLN A 79 -12.036 -5.158 -3.860 1.00 0.00 N ATOM 0 H GLN A 79 -14.773 -6.226 -0.363 1.00 0.00 H new ATOM 0 HA GLN A 79 -14.301 -8.752 -1.533 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -15.097 -6.782 -2.735 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -13.687 -5.855 -2.265 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -12.572 -8.016 -3.628 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -14.052 -7.719 -4.518 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -12.010 -5.233 -2.843 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -11.586 -4.369 -4.325 1.00 0.00 H new ATOM 1227 N TYR A 80 -11.510 -7.162 -0.791 1.00 0.00 N ATOM 1228 CA TYR A 80 -10.047 -7.276 -0.627 1.00 0.00 C ATOM 1229 C TYR A 80 -9.564 -8.213 0.492 1.00 0.00 C ATOM 1230 O TYR A 80 -8.407 -8.632 0.484 1.00 0.00 O ATOM 1231 CB TYR A 80 -9.452 -5.881 -0.438 1.00 0.00 C ATOM 1232 CG TYR A 80 -8.364 -5.601 -1.477 1.00 0.00 C ATOM 1233 CD1 TYR A 80 -8.683 -5.526 -2.828 1.00 0.00 C ATOM 1234 CD2 TYR A 80 -7.110 -5.191 -1.044 1.00 0.00 C ATOM 1235 CE1 TYR A 80 -7.778 -4.987 -3.732 1.00 0.00 C ATOM 1236 CE2 TYR A 80 -6.205 -4.648 -1.944 1.00 0.00 C ATOM 1237 CZ TYR A 80 -6.548 -4.519 -3.283 1.00 0.00 C ATOM 1238 OH TYR A 80 -5.842 -3.658 -4.056 1.00 0.00 O ATOM 0 H TYR A 80 -11.866 -6.231 -0.572 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.691 -7.747 -1.543 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -10.240 -5.132 -0.521 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -9.033 -5.794 0.564 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -9.639 -5.889 -3.176 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -6.839 -5.295 -0.004 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -8.028 -4.931 -4.781 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.233 -4.325 -1.603 1.00 0.00 H new ATOM 0 HH TYR A 80 -5.005 -3.423 -3.603 1.00 0.00 H new ATOM 1248 N VAL A 81 -10.389 -8.383 1.521 1.00 0.00 N ATOM 1249 CA VAL A 81 -10.118 -9.391 2.569 1.00 0.00 C ATOM 1250 C VAL A 81 -11.050 -10.609 2.535 1.00 0.00 C ATOM 1251 O VAL A 81 -10.682 -11.620 1.940 1.00 0.00 O ATOM 1252 CB VAL A 81 -9.905 -8.814 3.982 1.00 0.00 C ATOM 1253 CG1 VAL A 81 -8.528 -8.153 4.028 1.00 0.00 C ATOM 1254 CG2 VAL A 81 -10.986 -7.827 4.446 1.00 0.00 C ATOM 0 H VAL A 81 -11.245 -7.847 1.661 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.140 -9.783 2.290 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.975 -9.649 4.679 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.357 -7.737 5.021 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.761 -8.895 3.808 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.483 -7.354 3.288 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -10.750 -7.475 5.450 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -11.021 -6.978 3.763 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -11.955 -8.326 4.454 1.00 0.00 H new ATOM 1264 N ALA A 82 -12.305 -10.420 2.942 1.00 0.00 N ATOM 1265 CA ALA A 82 -13.325 -11.488 3.037 1.00 0.00 C ATOM 1266 C ALA A 82 -13.935 -11.857 1.665 1.00 0.00 C ATOM 1267 O ALA A 82 -15.112 -11.642 1.366 1.00 0.00 O ATOM 1268 CB ALA A 82 -14.384 -11.050 4.055 1.00 0.00 C ATOM 0 H ALA A 82 -12.658 -9.505 3.223 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.851 -12.407 3.381 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -15.147 -11.823 4.141 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -13.913 -10.895 5.026 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -14.846 -10.120 3.723 1.00 0.00 H new ATOM 1274 N THR A 83 -13.047 -12.383 0.829 1.00 0.00 N ATOM 1275 CA THR A 83 -13.266 -12.893 -0.546 1.00 0.00 C ATOM 1276 C THR A 83 -12.024 -13.700 -0.978 1.00 0.00 C ATOM 1277 O THR A 83 -12.162 -14.875 -1.309 1.00 0.00 O ATOM 1278 CB THR A 83 -13.588 -11.768 -1.558 1.00 0.00 C ATOM 1279 OG1 THR A 83 -14.812 -11.124 -1.197 1.00 0.00 O ATOM 1280 CG2 THR A 83 -13.712 -12.250 -3.009 1.00 0.00 C ATOM 0 H THR A 83 -12.070 -12.478 1.106 1.00 0.00 H new ATOM 0 HA THR A 83 -14.144 -13.539 -0.538 1.00 0.00 H new ATOM 0 HB THR A 83 -12.742 -11.082 -1.512 1.00 0.00 H new ATOM 0 HG1 THR A 83 -15.167 -11.531 -0.379 1.00 0.00 H new ATOM 0 HG21 THR A 83 -13.939 -11.402 -3.656 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.773 -12.705 -3.323 1.00 0.00 H new ATOM 0 HG23 THR A 83 -14.513 -12.986 -3.081 1.00 0.00 H new ATOM 1288 N ARG A 84 -10.838 -13.086 -0.922 1.00 0.00 N ATOM 1289 CA ARG A 84 -9.579 -13.800 -1.249 1.00 0.00 C ATOM 1290 C ARG A 84 -8.619 -14.088 -0.074 1.00 0.00 C ATOM 1291 O ARG A 84 -7.899 -15.085 -0.099 1.00 0.00 O ATOM 1292 CB ARG A 84 -8.826 -13.138 -2.420 1.00 0.00 C ATOM 1293 CG ARG A 84 -8.090 -11.821 -2.124 1.00 0.00 C ATOM 1294 CD ARG A 84 -9.009 -10.608 -1.938 1.00 0.00 C ATOM 1295 NE ARG A 84 -9.602 -10.137 -3.205 1.00 0.00 N ATOM 1296 CZ ARG A 84 -8.975 -9.491 -4.192 1.00 0.00 C ATOM 1297 NH1 ARG A 84 -7.779 -8.939 -4.028 1.00 0.00 N ATOM 1298 NH2 ARG A 84 -9.632 -9.200 -5.304 1.00 0.00 N ATOM 0 H ARG A 84 -10.713 -12.109 -0.658 1.00 0.00 H new ATOM 0 HA ARG A 84 -9.935 -14.785 -1.550 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -8.098 -13.854 -2.802 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.542 -12.953 -3.221 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.491 -11.949 -1.222 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.398 -11.615 -2.940 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.808 -10.867 -1.243 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.442 -9.795 -1.484 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.595 -10.325 -3.341 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -7.308 -9.000 -3.125 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -7.331 -8.453 -4.805 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -10.611 -9.469 -5.403 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -9.159 -8.707 -6.061 1.00 0.00 H new ATOM 1312 N SER A 85 -8.627 -13.233 0.952 1.00 0.00 N ATOM 1313 CA SER A 85 -7.735 -13.315 2.138 1.00 0.00 C ATOM 1314 C SER A 85 -6.226 -13.447 1.826 1.00 0.00 C ATOM 1315 O SER A 85 -5.807 -12.830 0.820 1.00 0.00 O ATOM 1316 CB SER A 85 -8.209 -14.420 3.094 1.00 0.00 C ATOM 1317 OG SER A 85 -9.501 -14.100 3.616 1.00 0.00 O ATOM 1318 OXT SER A 85 -5.494 -14.062 2.636 1.00 99.99 O ATOM 0 H SER A 85 -9.267 -12.440 0.993 1.00 0.00 H new ATOM 0 HA SER A 85 -7.822 -12.345 2.627 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.247 -15.374 2.568 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.497 -14.534 3.911 1.00 0.00 H new ATOM 0 HG SER A 85 -9.884 -13.355 3.108 1.00 0.00 H new