USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 821 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 72 TYR OH : rot 130:sc= 0.643 USER MOD Set 1.2: A 97 LYS NZ :NH3+ 133:sc= 0.844 (180deg=-0.0266) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.171 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.258 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 HIS : no HE2:sc= -3.82! C(o=-3.8!,f=-12!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -109:sc= 0.00277 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ -162:sc= -0.0234 (180deg=-0.29) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.147 USER MOD Single : A 42 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.13) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.0666 K(o=-0.067,f=-1.4!) USER MOD Single : A 54 GLN : amide:sc= -0.0468 X(o=-0.047,f=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 MET CE :methyl 167:sc= -0.42 (180deg=-0.532) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 CYS SG : rot -48:sc= -5.59! USER MOD Single : A 66 THR OG1 : rot 180:sc=-0.00502 USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -152:sc= -2.24 (180deg=-5.28!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 21:sc= 0.473 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.0206 X(o=-0.021,f=0) USER MOD Single : A 88 GLN : amide:sc= -0.0709 X(o=-0.071,f=-0.43) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.000 -22.871 -3.518 1.00 0.00 N ATOM 2 CA GLY A 1 -14.278 -21.776 -2.549 1.00 0.00 C ATOM 3 C GLY A 1 -13.721 -20.442 -3.004 1.00 0.00 C ATOM 4 O GLY A 1 -12.531 -20.329 -3.302 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.401 -23.761 -3.160 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.432 -22.641 -4.436 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.972 -22.977 -3.636 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.355 -21.687 -2.406 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.848 -22.034 -1.581 1.00 0.00 H new ATOM 10 N SER A 2 -14.581 -19.431 -3.058 1.00 0.00 N ATOM 11 CA SER A 2 -14.168 -18.098 -3.481 1.00 0.00 C ATOM 12 C SER A 2 -13.610 -17.304 -2.305 1.00 0.00 C ATOM 13 O SER A 2 -12.595 -16.619 -2.431 1.00 0.00 O ATOM 14 CB SER A 2 -15.347 -17.349 -4.104 1.00 0.00 C ATOM 15 OG SER A 2 -15.924 -18.094 -5.163 1.00 0.00 O ATOM 0 H SER A 2 -15.568 -19.509 -2.814 1.00 0.00 H new ATOM 0 HA SER A 2 -13.382 -18.208 -4.228 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.100 -17.152 -3.341 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.011 -16.382 -4.477 1.00 0.00 H new ATOM 0 HG SER A 2 -16.676 -17.594 -5.543 1.00 0.00 H new ATOM 21 N SER A 3 -14.280 -17.401 -1.162 1.00 0.00 N ATOM 22 CA SER A 3 -13.851 -16.692 0.039 1.00 0.00 C ATOM 23 C SER A 3 -13.144 -17.636 1.005 1.00 0.00 C ATOM 24 O SER A 3 -13.774 -18.234 1.877 1.00 0.00 O ATOM 25 CB SER A 3 -15.051 -16.042 0.729 1.00 0.00 C ATOM 26 OG SER A 3 -15.997 -15.581 -0.220 1.00 0.00 O ATOM 0 H SER A 3 -15.122 -17.963 -1.041 1.00 0.00 H new ATOM 0 HA SER A 3 -13.148 -15.915 -0.260 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.523 -16.761 1.398 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.713 -15.208 1.345 1.00 0.00 H new ATOM 0 HG SER A 3 -16.755 -15.171 0.246 1.00 0.00 H new ATOM 32 N GLY A 4 -11.831 -17.768 0.842 1.00 0.00 N ATOM 33 CA GLY A 4 -11.061 -18.641 1.707 1.00 0.00 C ATOM 34 C GLY A 4 -10.217 -17.873 2.705 1.00 0.00 C ATOM 35 O GLY A 4 -10.670 -16.883 3.278 1.00 0.00 O ATOM 0 H GLY A 4 -11.287 -17.286 0.126 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.739 -19.305 2.244 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.413 -19.272 1.098 1.00 0.00 H new ATOM 39 N SER A 5 -8.987 -18.332 2.914 1.00 0.00 N ATOM 40 CA SER A 5 -8.078 -17.681 3.850 1.00 0.00 C ATOM 41 C SER A 5 -6.626 -17.871 3.420 1.00 0.00 C ATOM 42 O SER A 5 -5.882 -18.639 4.029 1.00 0.00 O ATOM 43 CB SER A 5 -8.282 -18.238 5.260 1.00 0.00 C ATOM 44 OG SER A 5 -9.658 -18.434 5.537 1.00 0.00 O ATOM 0 H SER A 5 -8.597 -19.152 2.448 1.00 0.00 H new ATOM 0 HA SER A 5 -8.300 -16.614 3.852 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.749 -19.183 5.361 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.855 -17.551 5.991 1.00 0.00 H new ATOM 0 HG SER A 5 -9.761 -18.792 6.443 1.00 0.00 H new ATOM 50 N SER A 6 -6.230 -17.166 2.365 1.00 0.00 N ATOM 51 CA SER A 6 -4.867 -17.256 1.854 1.00 0.00 C ATOM 52 C SER A 6 -4.656 -16.292 0.691 1.00 0.00 C ATOM 53 O SER A 6 -4.660 -16.695 -0.472 1.00 0.00 O ATOM 54 CB SER A 6 -4.561 -18.687 1.408 1.00 0.00 C ATOM 55 OG SER A 6 -3.180 -18.976 1.530 1.00 0.00 O ATOM 0 H SER A 6 -6.833 -16.527 1.848 1.00 0.00 H new ATOM 0 HA SER A 6 -4.185 -16.980 2.658 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.137 -19.390 2.010 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.874 -18.823 0.373 1.00 0.00 H new ATOM 0 HG SER A 6 -3.012 -19.897 1.240 1.00 0.00 H new ATOM 61 N GLY A 7 -4.472 -15.016 1.013 1.00 0.00 N ATOM 62 CA GLY A 7 -4.261 -14.013 -0.014 1.00 0.00 C ATOM 63 C GLY A 7 -3.050 -13.145 0.265 1.00 0.00 C ATOM 64 O GLY A 7 -2.057 -13.614 0.820 1.00 0.00 O ATOM 0 H GLY A 7 -4.465 -14.658 1.968 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.137 -14.505 -0.979 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.147 -13.382 -0.089 1.00 0.00 H new ATOM 68 N VAL A 8 -3.132 -11.876 -0.122 1.00 0.00 N ATOM 69 CA VAL A 8 -2.034 -10.940 0.090 1.00 0.00 C ATOM 70 C VAL A 8 -0.749 -11.443 -0.564 1.00 0.00 C ATOM 71 O VAL A 8 0.353 -11.118 -0.120 1.00 0.00 O ATOM 72 CB VAL A 8 -1.775 -10.705 1.591 1.00 0.00 C ATOM 73 CG1 VAL A 8 -0.814 -9.544 1.792 1.00 0.00 C ATOM 74 CG2 VAL A 8 -3.084 -10.457 2.326 1.00 0.00 C ATOM 0 H VAL A 8 -3.947 -11.473 -0.584 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.329 -9.997 -0.371 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.316 -11.602 2.007 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.643 -9.393 2.858 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.133 -9.767 1.301 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.242 -8.639 1.362 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.882 -10.293 3.384 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.574 -9.577 1.910 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.736 -11.323 2.211 1.00 0.00 H new ATOM 84 N SER A 9 -0.899 -12.237 -1.619 1.00 0.00 N ATOM 85 CA SER A 9 0.249 -12.785 -2.334 1.00 0.00 C ATOM 86 C SER A 9 -0.005 -12.794 -3.836 1.00 0.00 C ATOM 87 O SER A 9 0.836 -12.356 -4.621 1.00 0.00 O ATOM 88 CB SER A 9 0.551 -14.203 -1.847 1.00 0.00 C ATOM 89 OG SER A 9 -0.384 -15.131 -2.368 1.00 0.00 O ATOM 0 H SER A 9 -1.804 -12.516 -1.998 1.00 0.00 H new ATOM 0 HA SER A 9 1.111 -12.149 -2.132 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.558 -14.488 -2.150 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.526 -14.230 -0.758 1.00 0.00 H new ATOM 0 HG SER A 9 -0.168 -16.030 -2.043 1.00 0.00 H new ATOM 95 N GLN A 10 -1.172 -13.293 -4.231 1.00 0.00 N ATOM 96 CA GLN A 10 -1.539 -13.355 -5.641 1.00 0.00 C ATOM 97 C GLN A 10 -1.890 -11.968 -6.170 1.00 0.00 C ATOM 98 O GLN A 10 -1.668 -11.665 -7.341 1.00 0.00 O ATOM 99 CB GLN A 10 -2.722 -14.305 -5.840 1.00 0.00 C ATOM 100 CG GLN A 10 -2.308 -15.741 -6.114 1.00 0.00 C ATOM 101 CD GLN A 10 -3.161 -16.400 -7.180 1.00 0.00 C ATOM 102 OE1 GLN A 10 -4.369 -16.566 -7.013 1.00 0.00 O ATOM 103 NE2 GLN A 10 -2.533 -16.782 -8.288 1.00 0.00 N ATOM 0 H GLN A 10 -1.879 -13.660 -3.595 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.682 -13.732 -6.200 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.351 -14.280 -4.950 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.330 -13.946 -6.670 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -1.264 -15.761 -6.426 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.376 -16.317 -5.191 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -1.530 -16.625 -8.385 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.054 -17.232 -9.040 1.00 0.00 H new ATOM 112 N ARG A 11 -2.437 -11.129 -5.295 1.00 0.00 N ATOM 113 CA ARG A 11 -2.818 -9.773 -5.669 1.00 0.00 C ATOM 114 C ARG A 11 -1.597 -8.966 -6.105 1.00 0.00 C ATOM 115 O ARG A 11 -0.473 -9.258 -5.695 1.00 0.00 O ATOM 116 CB ARG A 11 -3.514 -9.077 -4.499 1.00 0.00 C ATOM 117 CG ARG A 11 -4.663 -9.880 -3.911 1.00 0.00 C ATOM 118 CD ARG A 11 -5.709 -10.208 -4.965 1.00 0.00 C ATOM 119 NE ARG A 11 -6.844 -10.933 -4.402 1.00 0.00 N ATOM 120 CZ ARG A 11 -7.805 -10.360 -3.680 1.00 0.00 C ATOM 121 NH1 ARG A 11 -7.770 -9.057 -3.430 1.00 0.00 N ATOM 122 NH2 ARG A 11 -8.804 -11.093 -3.206 1.00 0.00 N ATOM 0 H ARG A 11 -2.626 -11.366 -4.321 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.509 -9.834 -6.509 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.781 -8.880 -3.716 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.891 -8.111 -4.834 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.279 -10.804 -3.478 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.125 -9.316 -3.101 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.061 -9.285 -5.426 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.253 -10.805 -5.755 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.904 -11.937 -4.572 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.004 -8.489 -3.792 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.509 -8.624 -2.876 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.836 -12.095 -3.395 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.540 -10.655 -2.653 1.00 0.00 H new ATOM 136 N PRO A 12 -1.801 -7.936 -6.943 1.00 0.00 N ATOM 137 CA PRO A 12 -0.709 -7.086 -7.431 1.00 0.00 C ATOM 138 C PRO A 12 0.042 -6.400 -6.295 1.00 0.00 C ATOM 139 O PRO A 12 -0.486 -6.244 -5.194 1.00 0.00 O ATOM 140 CB PRO A 12 -1.416 -6.048 -8.313 1.00 0.00 C ATOM 141 CG PRO A 12 -2.850 -6.100 -7.907 1.00 0.00 C ATOM 142 CD PRO A 12 -3.104 -7.516 -7.480 1.00 0.00 C ATOM 0 HA PRO A 12 0.045 -7.665 -7.963 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.999 -5.052 -8.160 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.298 -6.284 -9.371 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.051 -5.404 -7.092 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.501 -5.819 -8.735 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.890 -7.576 -6.727 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.416 -8.141 -8.317 1.00 0.00 H new ATOM 150 N PHE A 13 1.276 -5.992 -6.571 1.00 0.00 N ATOM 151 CA PHE A 13 2.103 -5.324 -5.572 1.00 0.00 C ATOM 152 C PHE A 13 1.489 -3.988 -5.160 1.00 0.00 C ATOM 153 O PHE A 13 1.501 -3.627 -3.983 1.00 0.00 O ATOM 154 CB PHE A 13 3.515 -5.102 -6.117 1.00 0.00 C ATOM 155 CG PHE A 13 4.482 -4.592 -5.086 1.00 0.00 C ATOM 156 CD1 PHE A 13 4.860 -5.389 -4.017 1.00 0.00 C ATOM 157 CD2 PHE A 13 5.014 -3.316 -5.187 1.00 0.00 C ATOM 158 CE1 PHE A 13 5.749 -4.924 -3.068 1.00 0.00 C ATOM 159 CE2 PHE A 13 5.905 -2.846 -4.242 1.00 0.00 C ATOM 160 CZ PHE A 13 6.273 -3.649 -3.180 1.00 0.00 C ATOM 0 H PHE A 13 1.726 -6.112 -7.478 1.00 0.00 H new ATOM 0 HA PHE A 13 2.155 -5.965 -4.692 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.891 -6.041 -6.523 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.470 -4.393 -6.943 1.00 0.00 H new ATOM 0 HD1 PHE A 13 4.454 -6.386 -3.925 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.729 -2.682 -6.014 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.035 -5.555 -2.239 1.00 0.00 H new ATOM 0 HE2 PHE A 13 6.314 -1.851 -4.333 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.968 -3.282 -2.439 1.00 0.00 H new ATOM 170 N ARG A 14 0.956 -3.262 -6.135 1.00 0.00 N ATOM 171 CA ARG A 14 0.338 -1.966 -5.873 1.00 0.00 C ATOM 172 C ARG A 14 -0.813 -2.099 -4.881 1.00 0.00 C ATOM 173 O ARG A 14 -1.021 -1.229 -4.036 1.00 0.00 O ATOM 174 CB ARG A 14 -0.166 -1.345 -7.177 1.00 0.00 C ATOM 175 CG ARG A 14 -0.022 0.167 -7.228 1.00 0.00 C ATOM 176 CD ARG A 14 -0.876 0.774 -8.329 1.00 0.00 C ATOM 177 NE ARG A 14 -0.133 1.744 -9.129 1.00 0.00 N ATOM 178 CZ ARG A 14 0.728 1.411 -10.087 1.00 0.00 C ATOM 179 NH1 ARG A 14 0.955 0.134 -10.371 1.00 0.00 N ATOM 180 NH2 ARG A 14 1.362 2.356 -10.768 1.00 0.00 N ATOM 0 H ARG A 14 0.939 -3.547 -7.114 1.00 0.00 H new ATOM 0 HA ARG A 14 1.095 -1.314 -5.436 1.00 0.00 H new ATOM 0 HB2 ARG A 14 0.381 -1.782 -8.013 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.216 -1.606 -7.312 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.310 0.593 -6.267 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.023 0.428 -7.392 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.249 -0.019 -8.977 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.746 1.260 -7.886 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.283 2.735 -8.942 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.468 -0.598 -9.854 1.00 0.00 H new ATOM 0 HH12 ARG A 14 1.616 -0.115 -11.107 1.00 0.00 H new ATOM 0 HH21 ARG A 14 1.190 3.339 -10.557 1.00 0.00 H new ATOM 0 HH22 ARG A 14 2.022 2.100 -11.502 1.00 0.00 H new ATOM 194 N ASP A 15 -1.559 -3.194 -4.992 1.00 0.00 N ATOM 195 CA ASP A 15 -2.689 -3.440 -4.105 1.00 0.00 C ATOM 196 C ASP A 15 -2.223 -3.621 -2.663 1.00 0.00 C ATOM 197 O ASP A 15 -2.815 -3.072 -1.735 1.00 0.00 O ATOM 198 CB ASP A 15 -3.464 -4.678 -4.563 1.00 0.00 C ATOM 199 CG ASP A 15 -4.612 -4.332 -5.492 1.00 0.00 C ATOM 200 OD1 ASP A 15 -5.037 -3.157 -5.497 1.00 0.00 O ATOM 201 OD2 ASP A 15 -5.084 -5.235 -6.213 1.00 0.00 O ATOM 0 H ASP A 15 -1.401 -3.924 -5.687 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.346 -2.572 -4.147 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -2.784 -5.362 -5.070 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.852 -5.203 -3.690 1.00 0.00 H new ATOM 206 N ARG A 16 -1.159 -4.397 -2.484 1.00 0.00 N ATOM 207 CA ARG A 16 -0.615 -4.651 -1.155 1.00 0.00 C ATOM 208 C ARG A 16 -0.167 -3.353 -0.492 1.00 0.00 C ATOM 209 O ARG A 16 -0.426 -3.126 0.690 1.00 0.00 O ATOM 210 CB ARG A 16 0.561 -5.626 -1.241 1.00 0.00 C ATOM 211 CG ARG A 16 0.140 -7.085 -1.277 1.00 0.00 C ATOM 212 CD ARG A 16 1.063 -7.910 -2.158 1.00 0.00 C ATOM 213 NE ARG A 16 2.234 -8.390 -1.428 1.00 0.00 N ATOM 214 CZ ARG A 16 3.005 -9.394 -1.840 1.00 0.00 C ATOM 215 NH1 ARG A 16 2.732 -10.027 -2.975 1.00 0.00 N ATOM 216 NH2 ARG A 16 4.052 -9.766 -1.116 1.00 0.00 N ATOM 0 H ARG A 16 -0.657 -4.860 -3.241 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.403 -5.095 -0.546 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.143 -5.402 -2.135 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.217 -5.467 -0.385 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.143 -7.491 -0.265 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.882 -7.161 -1.648 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.514 -8.761 -2.561 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.387 -7.308 -3.007 1.00 0.00 H new ATOM 0 HE ARG A 16 2.475 -7.929 -0.551 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.928 -9.745 -3.536 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.326 -10.796 -3.286 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.266 -9.283 -0.244 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.643 -10.535 -1.432 1.00 0.00 H new ATOM 230 N VAL A 17 0.506 -2.503 -1.260 1.00 0.00 N ATOM 231 CA VAL A 17 0.990 -1.227 -0.746 1.00 0.00 C ATOM 232 C VAL A 17 -0.140 -0.208 -0.651 1.00 0.00 C ATOM 233 O VAL A 17 -0.131 0.667 0.214 1.00 0.00 O ATOM 234 CB VAL A 17 2.109 -0.651 -1.633 1.00 0.00 C ATOM 235 CG1 VAL A 17 2.736 0.571 -0.978 1.00 0.00 C ATOM 236 CG2 VAL A 17 3.163 -1.710 -1.918 1.00 0.00 C ATOM 0 H VAL A 17 0.729 -2.675 -2.241 1.00 0.00 H new ATOM 0 HA VAL A 17 1.388 -1.420 0.250 1.00 0.00 H new ATOM 0 HB VAL A 17 1.671 -0.341 -2.582 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.525 0.964 -1.620 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.974 1.336 -0.830 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.160 0.290 -0.014 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.946 -1.285 -2.546 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.598 -2.053 -0.979 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.702 -2.553 -2.433 1.00 0.00 H new ATOM 246 N LEU A 18 -1.115 -0.329 -1.547 1.00 0.00 N ATOM 247 CA LEU A 18 -2.254 0.583 -1.564 1.00 0.00 C ATOM 248 C LEU A 18 -3.128 0.386 -0.330 1.00 0.00 C ATOM 249 O LEU A 18 -3.525 1.352 0.322 1.00 0.00 O ATOM 250 CB LEU A 18 -3.084 0.369 -2.831 1.00 0.00 C ATOM 251 CG LEU A 18 -4.344 1.232 -2.934 1.00 0.00 C ATOM 252 CD1 LEU A 18 -3.972 2.692 -3.141 1.00 0.00 C ATOM 253 CD2 LEU A 18 -5.238 0.739 -4.064 1.00 0.00 C ATOM 0 H LEU A 18 -1.139 -1.048 -2.270 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.871 1.604 -1.556 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.454 0.568 -3.698 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.375 -0.680 -2.883 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.898 1.148 -1.999 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.879 3.292 -3.212 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.373 3.038 -2.298 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.396 2.794 -4.061 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.129 1.364 -4.122 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.695 0.792 -5.007 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.531 -0.293 -3.872 1.00 0.00 H new ATOM 265 N HIS A 19 -3.428 -0.870 -0.016 1.00 0.00 N ATOM 266 CA HIS A 19 -4.257 -1.193 1.140 1.00 0.00 C ATOM 267 C HIS A 19 -3.534 -0.859 2.440 1.00 0.00 C ATOM 268 O HIS A 19 -4.151 -0.422 3.411 1.00 0.00 O ATOM 269 CB HIS A 19 -4.640 -2.673 1.120 1.00 0.00 C ATOM 270 CG HIS A 19 -5.662 -3.013 0.080 1.00 0.00 C ATOM 271 ND1 HIS A 19 -5.378 -3.142 -1.261 1.00 0.00 N ATOM 272 CD2 HIS A 19 -6.992 -3.251 0.206 1.00 0.00 C ATOM 273 CE1 HIS A 19 -6.518 -3.448 -1.896 1.00 0.00 C ATOM 274 NE2 HIS A 19 -7.528 -3.526 -1.050 1.00 0.00 N ATOM 0 H HIS A 19 -3.109 -1.681 -0.546 1.00 0.00 H new ATOM 0 HA HIS A 19 -5.163 -0.590 1.086 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -3.744 -3.269 0.946 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -5.024 -2.954 2.101 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -4.462 -3.025 -1.695 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -7.547 -3.230 1.132 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -6.599 -3.610 -2.961 1.00 0.00 H new ATOM 282 N LEU A 20 -2.221 -1.067 2.452 1.00 0.00 N ATOM 283 CA LEU A 20 -1.414 -0.788 3.634 1.00 0.00 C ATOM 284 C LEU A 20 -1.483 0.692 4.002 1.00 0.00 C ATOM 285 O LEU A 20 -1.901 1.050 5.102 1.00 0.00 O ATOM 286 CB LEU A 20 0.040 -1.203 3.394 1.00 0.00 C ATOM 287 CG LEU A 20 0.459 -2.511 4.069 1.00 0.00 C ATOM 288 CD1 LEU A 20 1.473 -3.253 3.212 1.00 0.00 C ATOM 289 CD2 LEU A 20 1.026 -2.237 5.454 1.00 0.00 C ATOM 0 H LEU A 20 -1.694 -1.428 1.657 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.816 -1.368 4.465 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.203 -1.297 2.320 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.693 -0.404 3.746 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.424 -3.141 4.178 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.759 -4.180 3.708 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.032 -3.482 2.242 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.356 -2.629 3.071 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.319 -3.178 5.920 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.897 -1.588 5.369 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.269 -1.749 6.067 1.00 0.00 H new ATOM 301 N LEU A 21 -1.067 1.547 3.072 1.00 0.00 N ATOM 302 CA LEU A 21 -1.080 2.987 3.296 1.00 0.00 C ATOM 303 C LEU A 21 -2.493 3.485 3.582 1.00 0.00 C ATOM 304 O LEU A 21 -2.682 4.478 4.284 1.00 0.00 O ATOM 305 CB LEU A 21 -0.507 3.719 2.080 1.00 0.00 C ATOM 306 CG LEU A 21 0.890 3.269 1.652 1.00 0.00 C ATOM 307 CD1 LEU A 21 1.273 3.905 0.325 1.00 0.00 C ATOM 308 CD2 LEU A 21 1.912 3.613 2.725 1.00 0.00 C ATOM 0 H LEU A 21 -0.717 1.266 2.156 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.458 3.197 4.166 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.188 3.585 1.240 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.477 4.786 2.299 1.00 0.00 H new ATOM 0 HG LEU A 21 0.879 2.187 1.522 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.270 3.573 0.037 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.556 3.608 -0.441 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.267 4.990 0.427 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.901 3.286 2.404 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.921 4.691 2.886 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.647 3.109 3.655 1.00 0.00 H new ATOM 320 N ALA A 22 -3.486 2.788 3.035 1.00 0.00 N ATOM 321 CA ALA A 22 -4.882 3.160 3.232 1.00 0.00 C ATOM 322 C ALA A 22 -5.238 3.193 4.714 1.00 0.00 C ATOM 323 O ALA A 22 -5.945 4.091 5.173 1.00 0.00 O ATOM 324 CB ALA A 22 -5.793 2.196 2.489 1.00 0.00 C ATOM 0 H ALA A 22 -3.348 1.962 2.452 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.026 4.163 2.829 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.832 2.485 2.644 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.563 2.226 1.424 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.637 1.185 2.865 1.00 0.00 H new ATOM 330 N LEU A 23 -4.747 2.208 5.459 1.00 0.00 N ATOM 331 CA LEU A 23 -5.016 2.124 6.889 1.00 0.00 C ATOM 332 C LEU A 23 -4.383 3.296 7.632 1.00 0.00 C ATOM 333 O LEU A 23 -5.063 4.029 8.350 1.00 0.00 O ATOM 334 CB LEU A 23 -4.488 0.803 7.453 1.00 0.00 C ATOM 335 CG LEU A 23 -5.286 -0.438 7.049 1.00 0.00 C ATOM 336 CD1 LEU A 23 -4.592 -1.700 7.535 1.00 0.00 C ATOM 337 CD2 LEU A 23 -6.703 -0.360 7.597 1.00 0.00 C ATOM 0 H LEU A 23 -4.161 1.457 5.095 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.096 2.166 7.032 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.455 0.674 7.129 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.474 0.869 8.541 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.340 -0.475 5.961 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.174 -2.573 7.238 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.597 -1.761 7.094 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.507 -1.673 8.621 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.257 -1.250 7.301 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.670 -0.299 8.685 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.199 0.525 7.199 1.00 0.00 H new ATOM 349 N ARG A 24 -3.076 3.466 7.455 1.00 0.00 N ATOM 350 CA ARG A 24 -2.351 4.550 8.108 1.00 0.00 C ATOM 351 C ARG A 24 -0.983 4.758 7.463 1.00 0.00 C ATOM 352 O ARG A 24 -0.466 3.868 6.786 1.00 0.00 O ATOM 353 CB ARG A 24 -2.186 4.254 9.600 1.00 0.00 C ATOM 354 CG ARG A 24 -1.513 2.922 9.885 1.00 0.00 C ATOM 355 CD ARG A 24 -1.774 2.459 11.309 1.00 0.00 C ATOM 356 NE ARG A 24 -0.968 3.196 12.280 1.00 0.00 N ATOM 357 CZ ARG A 24 -1.204 3.197 13.591 1.00 0.00 C ATOM 358 NH1 ARG A 24 -2.219 2.503 14.090 1.00 0.00 N ATOM 359 NH2 ARG A 24 -0.422 3.894 14.404 1.00 0.00 N ATOM 0 H ARG A 24 -2.498 2.867 6.865 1.00 0.00 H new ATOM 0 HA ARG A 24 -2.931 5.465 7.988 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.602 5.052 10.058 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.167 4.265 10.075 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.879 2.171 9.184 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.439 3.014 9.722 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.831 2.586 11.544 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -1.555 1.394 11.390 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.179 3.741 11.934 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.823 1.965 13.469 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.395 2.507 15.095 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.360 4.429 14.025 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.602 3.895 15.408 1.00 0.00 H new ATOM 373 N PRO A 25 -0.377 5.939 7.665 1.00 0.00 N ATOM 374 CA PRO A 25 0.939 6.260 7.100 1.00 0.00 C ATOM 375 C PRO A 25 1.980 5.192 7.420 1.00 0.00 C ATOM 376 O PRO A 25 2.196 4.849 8.582 1.00 0.00 O ATOM 377 CB PRO A 25 1.304 7.583 7.776 1.00 0.00 C ATOM 378 CG PRO A 25 -0.002 8.199 8.135 1.00 0.00 C ATOM 379 CD PRO A 25 -0.924 7.056 8.461 1.00 0.00 C ATOM 0 HA PRO A 25 0.913 6.317 6.012 1.00 0.00 H new ATOM 0 HB2 PRO A 25 1.920 7.419 8.660 1.00 0.00 H new ATOM 0 HB3 PRO A 25 1.874 8.226 7.105 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.104 8.870 8.987 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.394 8.793 7.309 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -0.922 6.829 9.527 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.955 7.279 8.185 1.00 0.00 H new ATOM 387 N TYR A 26 2.624 4.673 6.379 1.00 0.00 N ATOM 388 CA TYR A 26 3.644 3.644 6.548 1.00 0.00 C ATOM 389 C TYR A 26 4.966 4.080 5.924 1.00 0.00 C ATOM 390 O TYR A 26 5.066 4.242 4.707 1.00 0.00 O ATOM 391 CB TYR A 26 3.181 2.328 5.923 1.00 0.00 C ATOM 392 CG TYR A 26 2.443 1.426 6.886 1.00 0.00 C ATOM 393 CD1 TYR A 26 3.093 0.864 7.978 1.00 0.00 C ATOM 394 CD2 TYR A 26 1.096 1.136 6.703 1.00 0.00 C ATOM 395 CE1 TYR A 26 2.422 0.039 8.860 1.00 0.00 C ATOM 396 CE2 TYR A 26 0.419 0.312 7.582 1.00 0.00 C ATOM 397 CZ TYR A 26 1.086 -0.234 8.658 1.00 0.00 C ATOM 398 OH TYR A 26 0.415 -1.055 9.535 1.00 0.00 O ATOM 0 H TYR A 26 2.458 4.948 5.411 1.00 0.00 H new ATOM 0 HA TYR A 26 3.799 3.495 7.617 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.533 2.547 5.074 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.049 1.796 5.533 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.140 1.076 8.140 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.570 1.561 5.861 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.942 -0.390 9.704 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.628 0.097 7.427 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.519 -1.144 9.251 1.00 0.00 H new ATOM 408 N ARG A 27 5.978 4.270 6.764 1.00 0.00 N ATOM 409 CA ARG A 27 7.294 4.688 6.295 1.00 0.00 C ATOM 410 C ARG A 27 7.908 3.628 5.385 1.00 0.00 C ATOM 411 O ARG A 27 7.336 2.555 5.190 1.00 0.00 O ATOM 412 CB ARG A 27 8.220 4.956 7.482 1.00 0.00 C ATOM 413 CG ARG A 27 7.596 5.834 8.554 1.00 0.00 C ATOM 414 CD ARG A 27 8.617 6.250 9.600 1.00 0.00 C ATOM 415 NE ARG A 27 7.994 6.551 10.886 1.00 0.00 N ATOM 416 CZ ARG A 27 8.583 7.257 11.848 1.00 0.00 C ATOM 417 NH1 ARG A 27 9.810 7.736 11.674 1.00 0.00 N ATOM 418 NH2 ARG A 27 7.946 7.485 12.989 1.00 0.00 N ATOM 0 H ARG A 27 5.912 4.141 7.774 1.00 0.00 H new ATOM 0 HA ARG A 27 7.174 5.608 5.723 1.00 0.00 H new ATOM 0 HB2 ARG A 27 8.511 4.005 7.927 1.00 0.00 H new ATOM 0 HB3 ARG A 27 9.132 5.431 7.121 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.165 6.722 8.092 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.779 5.296 9.036 1.00 0.00 H new ATOM 0 HD2 ARG A 27 9.348 5.452 9.730 1.00 0.00 H new ATOM 0 HD3 ARG A 27 9.161 7.126 9.247 1.00 0.00 H new ATOM 0 HE ARG A 27 7.052 6.199 11.057 1.00 0.00 H new ATOM 0 HH11 ARG A 27 10.306 7.563 10.799 1.00 0.00 H new ATOM 0 HH12 ARG A 27 10.256 8.276 12.415 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.004 7.119 13.129 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.398 8.026 13.726 1.00 0.00 H new ATOM 432 N LYS A 28 9.076 3.938 4.829 1.00 0.00 N ATOM 433 CA LYS A 28 9.768 3.012 3.940 1.00 0.00 C ATOM 434 C LYS A 28 10.106 1.712 4.662 1.00 0.00 C ATOM 435 O LYS A 28 9.758 0.625 4.202 1.00 0.00 O ATOM 436 CB LYS A 28 11.045 3.655 3.396 1.00 0.00 C ATOM 437 CG LYS A 28 10.839 4.411 2.093 1.00 0.00 C ATOM 438 CD LYS A 28 12.153 4.938 1.541 1.00 0.00 C ATOM 439 CE LYS A 28 12.844 3.903 0.667 1.00 0.00 C ATOM 440 NZ LYS A 28 14.292 4.206 0.488 1.00 0.00 N ATOM 0 H LYS A 28 9.562 4.822 4.979 1.00 0.00 H new ATOM 0 HA LYS A 28 9.103 2.780 3.108 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.444 4.340 4.144 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.795 2.879 3.241 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.373 3.753 1.359 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.153 5.242 2.258 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.969 5.842 0.960 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.810 5.217 2.365 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.732 2.916 1.116 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.357 3.867 -0.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.463 4.520 -0.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.573 4.959 1.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.852 3.351 0.680 1.00 0.00 H new ATOM 454 N ALA A 29 10.787 1.832 5.798 1.00 0.00 N ATOM 455 CA ALA A 29 11.173 0.667 6.584 1.00 0.00 C ATOM 456 C ALA A 29 9.960 0.026 7.249 1.00 0.00 C ATOM 457 O ALA A 29 9.849 -1.197 7.316 1.00 0.00 O ATOM 458 CB ALA A 29 12.207 1.056 7.630 1.00 0.00 C ATOM 0 H ALA A 29 11.082 2.724 6.194 1.00 0.00 H new ATOM 0 HA ALA A 29 11.613 -0.067 5.909 1.00 0.00 H new ATOM 0 HB1 ALA A 29 12.486 0.176 8.210 1.00 0.00 H new ATOM 0 HB2 ALA A 29 13.090 1.460 7.136 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.786 1.810 8.295 1.00 0.00 H new ATOM 464 N GLU A 30 9.051 0.862 7.740 1.00 0.00 N ATOM 465 CA GLU A 30 7.844 0.378 8.400 1.00 0.00 C ATOM 466 C GLU A 30 6.975 -0.419 7.431 1.00 0.00 C ATOM 467 O GLU A 30 6.280 -1.352 7.829 1.00 0.00 O ATOM 468 CB GLU A 30 7.048 1.551 8.978 1.00 0.00 C ATOM 469 CG GLU A 30 6.736 1.404 10.458 1.00 0.00 C ATOM 470 CD GLU A 30 5.294 1.738 10.787 1.00 0.00 C ATOM 471 OE1 GLU A 30 4.640 2.418 9.969 1.00 0.00 O ATOM 472 OE2 GLU A 30 4.819 1.320 11.864 1.00 0.00 O ATOM 0 H GLU A 30 9.127 1.878 7.693 1.00 0.00 H new ATOM 0 HA GLU A 30 8.144 -0.282 9.214 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.610 2.472 8.823 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.113 1.652 8.426 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.948 0.382 10.770 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.396 2.056 11.031 1.00 0.00 H new ATOM 479 N LEU A 31 7.022 -0.042 6.158 1.00 0.00 N ATOM 480 CA LEU A 31 6.239 -0.720 5.131 1.00 0.00 C ATOM 481 C LEU A 31 6.990 -1.929 4.582 1.00 0.00 C ATOM 482 O LEU A 31 6.382 -2.922 4.185 1.00 0.00 O ATOM 483 CB LEU A 31 5.904 0.248 3.993 1.00 0.00 C ATOM 484 CG LEU A 31 4.823 -0.238 3.028 1.00 0.00 C ATOM 485 CD1 LEU A 31 3.519 -0.488 3.771 1.00 0.00 C ATOM 486 CD2 LEU A 31 4.616 0.772 1.910 1.00 0.00 C ATOM 0 H LEU A 31 7.594 0.729 5.813 1.00 0.00 H new ATOM 0 HA LEU A 31 5.312 -1.068 5.587 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.584 1.196 4.425 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.813 0.447 3.426 1.00 0.00 H new ATOM 0 HG LEU A 31 5.152 -1.178 2.586 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.760 -0.833 3.069 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.677 -1.247 4.537 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.184 0.437 4.240 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.843 0.411 1.232 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.308 1.727 2.335 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.548 0.903 1.361 1.00 0.00 H new ATOM 498 N LEU A 32 8.315 -1.836 4.561 1.00 0.00 N ATOM 499 CA LEU A 32 9.150 -2.923 4.059 1.00 0.00 C ATOM 500 C LEU A 32 9.042 -4.151 4.957 1.00 0.00 C ATOM 501 O LEU A 32 8.846 -5.268 4.477 1.00 0.00 O ATOM 502 CB LEU A 32 10.609 -2.473 3.964 1.00 0.00 C ATOM 503 CG LEU A 32 10.956 -1.657 2.719 1.00 0.00 C ATOM 504 CD1 LEU A 32 12.320 -1.002 2.872 1.00 0.00 C ATOM 505 CD2 LEU A 32 10.922 -2.538 1.480 1.00 0.00 C ATOM 0 H LEU A 32 8.834 -1.020 4.885 1.00 0.00 H new ATOM 0 HA LEU A 32 8.795 -3.190 3.064 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.848 -1.880 4.847 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.248 -3.356 3.991 1.00 0.00 H new ATOM 0 HG LEU A 32 10.210 -0.871 2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 32 12.549 -0.426 1.976 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.310 -0.339 3.737 1.00 0.00 H new ATOM 0 HD13 LEU A 32 13.079 -1.771 3.013 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.171 -1.941 0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.646 -3.345 1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.924 -2.959 1.361 1.00 0.00 H new ATOM 517 N LEU A 33 9.172 -3.938 6.262 1.00 0.00 N ATOM 518 CA LEU A 33 9.089 -5.029 7.227 1.00 0.00 C ATOM 519 C LEU A 33 7.715 -5.689 7.187 1.00 0.00 C ATOM 520 O LEU A 33 7.588 -6.895 7.397 1.00 0.00 O ATOM 521 CB LEU A 33 9.379 -4.513 8.638 1.00 0.00 C ATOM 522 CG LEU A 33 10.756 -3.874 8.825 1.00 0.00 C ATOM 523 CD1 LEU A 33 10.789 -3.041 10.097 1.00 0.00 C ATOM 524 CD2 LEU A 33 11.839 -4.942 8.856 1.00 0.00 C ATOM 0 H LEU A 33 9.335 -3.020 6.676 1.00 0.00 H new ATOM 0 HA LEU A 33 9.837 -5.775 6.959 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.617 -3.781 8.904 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.282 -5.343 9.338 1.00 0.00 H new ATOM 0 HG LEU A 33 10.948 -3.215 7.979 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.776 -2.594 10.214 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.039 -2.253 10.035 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.576 -3.678 10.955 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.812 -4.470 8.990 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.651 -5.627 9.683 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.831 -5.496 7.917 1.00 0.00 H new ATOM 536 N ARG A 34 6.687 -4.891 6.915 1.00 0.00 N ATOM 537 CA ARG A 34 5.322 -5.399 6.848 1.00 0.00 C ATOM 538 C ARG A 34 5.146 -6.329 5.650 1.00 0.00 C ATOM 539 O ARG A 34 4.579 -7.415 5.773 1.00 0.00 O ATOM 540 CB ARG A 34 4.327 -4.239 6.760 1.00 0.00 C ATOM 541 CG ARG A 34 3.121 -4.402 7.670 1.00 0.00 C ATOM 542 CD ARG A 34 2.278 -5.605 7.274 1.00 0.00 C ATOM 543 NE ARG A 34 0.955 -5.212 6.796 1.00 0.00 N ATOM 544 CZ ARG A 34 0.076 -6.062 6.266 1.00 0.00 C ATOM 545 NH1 ARG A 34 0.376 -7.349 6.146 1.00 0.00 N ATOM 546 NH2 ARG A 34 -1.106 -5.621 5.857 1.00 0.00 N ATOM 0 H ARG A 34 6.774 -3.890 6.738 1.00 0.00 H new ATOM 0 HA ARG A 34 5.127 -5.967 7.758 1.00 0.00 H new ATOM 0 HB2 ARG A 34 4.840 -3.311 7.013 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.984 -4.143 5.730 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.455 -4.515 8.701 1.00 0.00 H new ATOM 0 HG3 ARG A 34 2.510 -3.500 7.630 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.793 -6.168 6.495 1.00 0.00 H new ATOM 0 HD3 ARG A 34 2.171 -6.271 8.130 1.00 0.00 H new ATOM 0 HE ARG A 34 0.688 -4.230 6.872 1.00 0.00 H new ATOM 0 HH11 ARG A 34 1.284 -7.693 6.460 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -0.301 -7.995 5.740 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.341 -4.633 5.948 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.780 -6.270 5.451 1.00 0.00 H new ATOM 560 N LEU A 35 5.637 -5.896 4.495 1.00 0.00 N ATOM 561 CA LEU A 35 5.535 -6.689 3.275 1.00 0.00 C ATOM 562 C LEU A 35 6.417 -7.930 3.357 1.00 0.00 C ATOM 563 O LEU A 35 6.107 -8.964 2.765 1.00 0.00 O ATOM 564 CB LEU A 35 5.930 -5.847 2.061 1.00 0.00 C ATOM 565 CG LEU A 35 5.041 -4.631 1.797 1.00 0.00 C ATOM 566 CD1 LEU A 35 5.840 -3.514 1.145 1.00 0.00 C ATOM 567 CD2 LEU A 35 3.855 -5.020 0.926 1.00 0.00 C ATOM 0 H LEU A 35 6.110 -5.000 4.377 1.00 0.00 H new ATOM 0 HA LEU A 35 4.499 -7.009 3.165 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.956 -5.505 2.194 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.919 -6.485 1.177 1.00 0.00 H new ATOM 0 HG LEU A 35 4.663 -4.267 2.752 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.189 -2.658 0.965 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.656 -3.218 1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.248 -3.864 0.197 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.232 -4.144 0.747 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.215 -5.410 -0.026 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.267 -5.786 1.432 1.00 0.00 H new ATOM 579 N GLN A 36 7.518 -7.822 4.094 1.00 0.00 N ATOM 580 CA GLN A 36 8.445 -8.935 4.252 1.00 0.00 C ATOM 581 C GLN A 36 7.745 -10.147 4.860 1.00 0.00 C ATOM 582 O GLN A 36 8.108 -11.291 4.582 1.00 0.00 O ATOM 583 CB GLN A 36 9.630 -8.519 5.128 1.00 0.00 C ATOM 584 CG GLN A 36 10.980 -8.705 4.453 1.00 0.00 C ATOM 585 CD GLN A 36 12.036 -9.235 5.403 1.00 0.00 C ATOM 586 OE1 GLN A 36 12.554 -8.502 6.245 1.00 0.00 O ATOM 587 NE2 GLN A 36 12.363 -10.516 5.270 1.00 0.00 N ATOM 0 H GLN A 36 7.789 -6.974 4.591 1.00 0.00 H new ATOM 0 HA GLN A 36 8.813 -9.212 3.264 1.00 0.00 H new ATOM 0 HB2 GLN A 36 9.514 -7.472 5.408 1.00 0.00 H new ATOM 0 HB3 GLN A 36 9.611 -9.100 6.050 1.00 0.00 H new ATOM 0 HG2 GLN A 36 10.872 -9.393 3.615 1.00 0.00 H new ATOM 0 HG3 GLN A 36 11.311 -7.752 4.042 1.00 0.00 H new ATOM 0 HE21 GLN A 36 11.908 -11.087 4.558 1.00 0.00 H new ATOM 0 HE22 GLN A 36 13.069 -10.928 5.880 1.00 0.00 H new ATOM 596 N LYS A 37 6.739 -9.890 5.690 1.00 0.00 N ATOM 597 CA LYS A 37 5.989 -10.961 6.335 1.00 0.00 C ATOM 598 C LYS A 37 5.269 -11.820 5.301 1.00 0.00 C ATOM 599 O LYS A 37 5.082 -13.021 5.499 1.00 0.00 O ATOM 600 CB LYS A 37 4.977 -10.379 7.325 1.00 0.00 C ATOM 601 CG LYS A 37 5.562 -10.099 8.699 1.00 0.00 C ATOM 602 CD LYS A 37 4.556 -9.404 9.601 1.00 0.00 C ATOM 603 CE LYS A 37 5.017 -9.401 11.050 1.00 0.00 C ATOM 604 NZ LYS A 37 5.014 -10.769 11.637 1.00 0.00 N ATOM 0 H LYS A 37 6.425 -8.950 5.931 1.00 0.00 H new ATOM 0 HA LYS A 37 6.696 -11.591 6.876 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.572 -9.453 6.916 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.143 -11.073 7.429 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.878 -11.035 9.159 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.451 -9.477 8.597 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.410 -8.378 9.262 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.591 -9.905 9.526 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.022 -8.982 11.110 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.366 -8.753 11.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.032 -10.702 12.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.155 -11.273 11.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.853 -11.289 11.309 1.00 0.00 H new ATOM 618 N ASP A 38 4.869 -11.197 4.197 1.00 0.00 N ATOM 619 CA ASP A 38 4.171 -11.905 3.130 1.00 0.00 C ATOM 620 C ASP A 38 5.115 -12.213 1.973 1.00 0.00 C ATOM 621 O ASP A 38 5.264 -13.368 1.572 1.00 0.00 O ATOM 622 CB ASP A 38 2.987 -11.076 2.630 1.00 0.00 C ATOM 623 CG ASP A 38 1.881 -10.964 3.661 1.00 0.00 C ATOM 624 OD1 ASP A 38 1.239 -11.993 3.958 1.00 0.00 O ATOM 625 OD2 ASP A 38 1.656 -9.847 4.172 1.00 0.00 O ATOM 0 H ASP A 38 5.016 -10.204 4.018 1.00 0.00 H new ATOM 0 HA ASP A 38 3.802 -12.847 3.534 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.333 -10.077 2.363 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.588 -11.528 1.722 1.00 0.00 H new ATOM 630 N GLY A 39 5.751 -11.174 1.442 1.00 0.00 N ATOM 631 CA GLY A 39 6.673 -11.355 0.337 1.00 0.00 C ATOM 632 C GLY A 39 7.533 -10.131 0.092 1.00 0.00 C ATOM 633 O GLY A 39 7.018 -9.027 -0.084 1.00 0.00 O ATOM 0 H GLY A 39 5.644 -10.210 1.757 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.316 -12.212 0.541 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.110 -11.587 -0.567 1.00 0.00 H new ATOM 637 N LEU A 40 8.847 -10.326 0.082 1.00 0.00 N ATOM 638 CA LEU A 40 9.781 -9.229 -0.141 1.00 0.00 C ATOM 639 C LEU A 40 11.216 -9.742 -0.210 1.00 0.00 C ATOM 640 O LEU A 40 11.604 -10.631 0.547 1.00 0.00 O ATOM 641 CB LEU A 40 9.653 -8.186 0.971 1.00 0.00 C ATOM 642 CG LEU A 40 10.307 -6.836 0.670 1.00 0.00 C ATOM 643 CD1 LEU A 40 9.301 -5.882 0.045 1.00 0.00 C ATOM 644 CD2 LEU A 40 10.896 -6.236 1.938 1.00 0.00 C ATOM 0 H LEU A 40 9.289 -11.234 0.226 1.00 0.00 H new ATOM 0 HA LEU A 40 9.534 -8.764 -1.095 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.595 -8.023 1.175 1.00 0.00 H new ATOM 0 HB3 LEU A 40 10.094 -8.592 1.881 1.00 0.00 H new ATOM 0 HG LEU A 40 11.115 -6.996 -0.043 1.00 0.00 H new ATOM 0 HD11 LEU A 40 9.785 -4.927 -0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.925 -6.308 -0.886 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.471 -5.726 0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.357 -5.276 1.706 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.105 -6.090 2.673 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.649 -6.911 2.344 1.00 0.00 H new ATOM 656 N THR A 41 11.999 -9.175 -1.123 1.00 0.00 N ATOM 657 CA THR A 41 13.391 -9.577 -1.290 1.00 0.00 C ATOM 658 C THR A 41 14.235 -8.416 -1.807 1.00 0.00 C ATOM 659 O THR A 41 15.036 -7.841 -1.070 1.00 0.00 O ATOM 660 CB THR A 41 13.490 -10.763 -2.250 1.00 0.00 C ATOM 661 OG1 THR A 41 12.913 -10.441 -3.503 1.00 0.00 O ATOM 662 CG2 THR A 41 12.802 -12.009 -1.735 1.00 0.00 C ATOM 0 H THR A 41 11.694 -8.437 -1.757 1.00 0.00 H new ATOM 0 HA THR A 41 13.776 -9.876 -0.315 1.00 0.00 H new ATOM 0 HB THR A 41 14.556 -10.970 -2.346 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.987 -11.211 -4.105 1.00 0.00 H new ATOM 0 HG21 THR A 41 12.910 -12.812 -2.464 1.00 0.00 H new ATOM 0 HG22 THR A 41 13.256 -12.312 -0.792 1.00 0.00 H new ATOM 0 HG23 THR A 41 11.743 -11.802 -1.578 1.00 0.00 H new ATOM 670 N GLN A 42 14.051 -8.079 -3.079 1.00 0.00 N ATOM 671 CA GLN A 42 14.795 -6.988 -3.695 1.00 0.00 C ATOM 672 C GLN A 42 13.975 -6.321 -4.794 1.00 0.00 C ATOM 673 O GLN A 42 13.904 -5.095 -4.871 1.00 0.00 O ATOM 674 CB GLN A 42 16.115 -7.507 -4.271 1.00 0.00 C ATOM 675 CG GLN A 42 17.095 -6.403 -4.634 1.00 0.00 C ATOM 676 CD GLN A 42 17.538 -5.597 -3.428 1.00 0.00 C ATOM 677 OE1 GLN A 42 18.331 -6.067 -2.610 1.00 0.00 O ATOM 678 NE2 GLN A 42 17.027 -4.377 -3.311 1.00 0.00 N ATOM 0 H GLN A 42 13.393 -8.546 -3.703 1.00 0.00 H new ATOM 0 HA GLN A 42 15.007 -6.246 -2.925 1.00 0.00 H new ATOM 0 HB2 GLN A 42 16.582 -8.172 -3.545 1.00 0.00 H new ATOM 0 HB3 GLN A 42 15.905 -8.102 -5.160 1.00 0.00 H new ATOM 0 HG2 GLN A 42 17.970 -6.842 -5.114 1.00 0.00 H new ATOM 0 HG3 GLN A 42 16.632 -5.736 -5.362 1.00 0.00 H new ATOM 0 HE21 GLN A 42 16.374 -4.028 -4.012 1.00 0.00 H new ATOM 0 HE22 GLN A 42 17.288 -3.788 -2.520 1.00 0.00 H new ATOM 687 N ALA A 43 13.358 -7.136 -5.643 1.00 0.00 N ATOM 688 CA ALA A 43 12.543 -6.625 -6.738 1.00 0.00 C ATOM 689 C ALA A 43 11.383 -5.784 -6.213 1.00 0.00 C ATOM 690 O ALA A 43 11.000 -4.786 -6.824 1.00 0.00 O ATOM 691 CB ALA A 43 12.022 -7.772 -7.588 1.00 0.00 C ATOM 0 H ALA A 43 13.407 -8.154 -5.593 1.00 0.00 H new ATOM 0 HA ALA A 43 13.171 -5.985 -7.357 1.00 0.00 H new ATOM 0 HB1 ALA A 43 11.415 -7.375 -8.402 1.00 0.00 H new ATOM 0 HB2 ALA A 43 12.862 -8.330 -8.001 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.414 -8.435 -6.972 1.00 0.00 H new ATOM 697 N ASP A 44 10.829 -6.195 -5.077 1.00 0.00 N ATOM 698 CA ASP A 44 9.714 -5.480 -4.468 1.00 0.00 C ATOM 699 C ASP A 44 10.211 -4.300 -3.639 1.00 0.00 C ATOM 700 O ASP A 44 9.531 -3.280 -3.520 1.00 0.00 O ATOM 701 CB ASP A 44 8.893 -6.425 -3.590 1.00 0.00 C ATOM 702 CG ASP A 44 8.091 -7.421 -4.404 1.00 0.00 C ATOM 703 OD1 ASP A 44 8.633 -8.499 -4.724 1.00 0.00 O ATOM 704 OD2 ASP A 44 6.921 -7.123 -4.722 1.00 0.00 O ATOM 0 H ASP A 44 11.134 -7.019 -4.560 1.00 0.00 H new ATOM 0 HA ASP A 44 9.081 -5.097 -5.268 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.561 -6.964 -2.918 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.216 -5.841 -2.967 1.00 0.00 H new ATOM 709 N LYS A 45 11.401 -4.445 -3.067 1.00 0.00 N ATOM 710 CA LYS A 45 11.990 -3.392 -2.247 1.00 0.00 C ATOM 711 C LYS A 45 12.289 -2.151 -3.084 1.00 0.00 C ATOM 712 O LYS A 45 11.958 -1.033 -2.693 1.00 0.00 O ATOM 713 CB LYS A 45 13.273 -3.893 -1.583 1.00 0.00 C ATOM 714 CG LYS A 45 13.029 -4.893 -0.464 1.00 0.00 C ATOM 715 CD LYS A 45 14.224 -4.985 0.472 1.00 0.00 C ATOM 716 CE LYS A 45 14.509 -3.655 1.149 1.00 0.00 C ATOM 717 NZ LYS A 45 15.861 -3.135 0.805 1.00 0.00 N ATOM 0 H LYS A 45 11.977 -5.282 -3.156 1.00 0.00 H new ATOM 0 HA LYS A 45 11.269 -3.122 -1.475 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.907 -4.355 -2.340 1.00 0.00 H new ATOM 0 HB3 LYS A 45 13.822 -3.040 -1.184 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.145 -4.599 0.101 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.823 -5.875 -0.891 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.036 -5.746 1.229 1.00 0.00 H new ATOM 0 HD3 LYS A 45 15.102 -5.304 -0.089 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.754 -2.927 0.852 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.430 -3.773 2.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 16.016 -2.226 1.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 16.584 -3.817 1.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 15.929 -2.997 -0.224 1.00 0.00 H new ATOM 731 N ASP A 46 12.917 -2.357 -4.236 1.00 0.00 N ATOM 732 CA ASP A 46 13.261 -1.255 -5.127 1.00 0.00 C ATOM 733 C ASP A 46 12.010 -0.647 -5.753 1.00 0.00 C ATOM 734 O ASP A 46 11.970 0.546 -6.050 1.00 0.00 O ATOM 735 CB ASP A 46 14.213 -1.738 -6.224 1.00 0.00 C ATOM 736 CG ASP A 46 15.333 -0.752 -6.492 1.00 0.00 C ATOM 737 OD1 ASP A 46 15.109 0.206 -7.262 1.00 0.00 O ATOM 738 OD2 ASP A 46 16.434 -0.937 -5.932 1.00 0.00 O ATOM 0 H ASP A 46 13.198 -3.277 -4.575 1.00 0.00 H new ATOM 0 HA ASP A 46 13.758 -0.485 -4.536 1.00 0.00 H new ATOM 0 HB2 ASP A 46 14.640 -2.698 -5.934 1.00 0.00 H new ATOM 0 HB3 ASP A 46 13.650 -1.903 -7.143 1.00 0.00 H new ATOM 743 N ALA A 47 10.990 -1.476 -5.952 1.00 0.00 N ATOM 744 CA ALA A 47 9.738 -1.018 -6.542 1.00 0.00 C ATOM 745 C ALA A 47 8.892 -0.259 -5.525 1.00 0.00 C ATOM 746 O ALA A 47 8.112 0.621 -5.885 1.00 0.00 O ATOM 747 CB ALA A 47 8.958 -2.198 -7.103 1.00 0.00 C ATOM 0 H ALA A 47 11.006 -2.468 -5.713 1.00 0.00 H new ATOM 0 HA ALA A 47 9.979 -0.333 -7.355 1.00 0.00 H new ATOM 0 HB1 ALA A 47 8.025 -1.843 -7.541 1.00 0.00 H new ATOM 0 HB2 ALA A 47 9.552 -2.695 -7.870 1.00 0.00 H new ATOM 0 HB3 ALA A 47 8.737 -2.902 -6.301 1.00 0.00 H new ATOM 753 N LEU A 48 9.052 -0.608 -4.252 1.00 0.00 N ATOM 754 CA LEU A 48 8.302 0.040 -3.181 1.00 0.00 C ATOM 755 C LEU A 48 8.564 1.543 -3.162 1.00 0.00 C ATOM 756 O LEU A 48 7.637 2.344 -3.045 1.00 0.00 O ATOM 757 CB LEU A 48 8.676 -0.570 -1.828 1.00 0.00 C ATOM 758 CG LEU A 48 7.675 -0.311 -0.702 1.00 0.00 C ATOM 759 CD1 LEU A 48 6.409 -1.126 -0.915 1.00 0.00 C ATOM 760 CD2 LEU A 48 8.298 -0.632 0.648 1.00 0.00 C ATOM 0 H LEU A 48 9.694 -1.335 -3.937 1.00 0.00 H new ATOM 0 HA LEU A 48 7.240 -0.123 -3.367 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.790 -1.647 -1.951 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.648 -0.179 -1.527 1.00 0.00 H new ATOM 0 HG LEU A 48 7.408 0.746 -0.715 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.708 -0.929 -0.104 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.952 -0.847 -1.865 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.658 -2.187 -0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.572 -0.442 1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.594 -1.681 0.672 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.175 -0.004 0.803 1.00 0.00 H new ATOM 772 N ASP A 49 9.834 1.918 -3.279 1.00 0.00 N ATOM 773 CA ASP A 49 10.220 3.325 -3.274 1.00 0.00 C ATOM 774 C ASP A 49 9.553 4.076 -4.421 1.00 0.00 C ATOM 775 O ASP A 49 8.983 5.150 -4.223 1.00 0.00 O ATOM 776 CB ASP A 49 11.740 3.458 -3.377 1.00 0.00 C ATOM 777 CG ASP A 49 12.230 4.832 -2.965 1.00 0.00 C ATOM 778 OD1 ASP A 49 11.433 5.790 -3.032 1.00 0.00 O ATOM 779 OD2 ASP A 49 13.410 4.948 -2.572 1.00 0.00 O ATOM 0 H ASP A 49 10.613 1.267 -3.378 1.00 0.00 H new ATOM 0 HA ASP A 49 9.887 3.765 -2.334 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.211 2.703 -2.747 1.00 0.00 H new ATOM 0 HB3 ASP A 49 12.051 3.257 -4.402 1.00 0.00 H new ATOM 784 N GLY A 50 9.628 3.507 -5.620 1.00 0.00 N ATOM 785 CA GLY A 50 9.028 4.139 -6.780 1.00 0.00 C ATOM 786 C GLY A 50 7.514 4.167 -6.710 1.00 0.00 C ATOM 787 O GLY A 50 6.875 5.041 -7.296 1.00 0.00 O ATOM 0 H GLY A 50 10.094 2.619 -5.809 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.403 5.159 -6.868 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.337 3.607 -7.680 1.00 0.00 H new ATOM 791 N LEU A 51 6.937 3.207 -5.994 1.00 0.00 N ATOM 792 CA LEU A 51 5.488 3.126 -5.852 1.00 0.00 C ATOM 793 C LEU A 51 4.982 4.135 -4.826 1.00 0.00 C ATOM 794 O LEU A 51 4.021 4.862 -5.078 1.00 0.00 O ATOM 795 CB LEU A 51 5.073 1.710 -5.444 1.00 0.00 C ATOM 796 CG LEU A 51 3.838 1.165 -6.162 1.00 0.00 C ATOM 797 CD1 LEU A 51 4.174 0.801 -7.599 1.00 0.00 C ATOM 798 CD2 LEU A 51 3.282 -0.041 -5.420 1.00 0.00 C ATOM 0 H LEU A 51 7.451 2.475 -5.504 1.00 0.00 H new ATOM 0 HA LEU A 51 5.040 3.364 -6.817 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.909 1.035 -5.629 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.885 1.698 -4.370 1.00 0.00 H new ATOM 0 HG LEU A 51 3.075 1.943 -6.176 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.283 0.415 -8.094 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.527 1.688 -8.126 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.953 0.039 -7.609 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.403 -0.417 -5.944 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.040 -0.823 -5.376 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.003 0.251 -4.408 1.00 0.00 H new ATOM 810 N LEU A 52 5.635 4.175 -3.669 1.00 0.00 N ATOM 811 CA LEU A 52 5.251 5.096 -2.605 1.00 0.00 C ATOM 812 C LEU A 52 5.312 6.543 -3.085 1.00 0.00 C ATOM 813 O LEU A 52 4.589 7.404 -2.586 1.00 0.00 O ATOM 814 CB LEU A 52 6.160 4.912 -1.389 1.00 0.00 C ATOM 815 CG LEU A 52 6.044 3.557 -0.692 1.00 0.00 C ATOM 816 CD1 LEU A 52 7.204 3.349 0.270 1.00 0.00 C ATOM 817 CD2 LEU A 52 4.715 3.448 0.041 1.00 0.00 C ATOM 0 H LEU A 52 6.433 3.580 -3.444 1.00 0.00 H new ATOM 0 HA LEU A 52 4.223 4.871 -2.320 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.194 5.054 -1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.936 5.696 -0.665 1.00 0.00 H new ATOM 0 HG LEU A 52 6.084 2.775 -1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.104 2.379 0.757 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.144 3.383 -0.281 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.197 4.136 1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.649 2.477 0.532 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.646 4.238 0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.897 3.551 -0.672 1.00 0.00 H new ATOM 829 N GLN A 53 6.182 6.804 -4.056 1.00 0.00 N ATOM 830 CA GLN A 53 6.337 8.147 -4.602 1.00 0.00 C ATOM 831 C GLN A 53 5.227 8.466 -5.601 1.00 0.00 C ATOM 832 O GLN A 53 4.896 9.631 -5.823 1.00 0.00 O ATOM 833 CB GLN A 53 7.702 8.290 -5.277 1.00 0.00 C ATOM 834 CG GLN A 53 8.870 7.964 -4.363 1.00 0.00 C ATOM 835 CD GLN A 53 9.422 9.190 -3.662 1.00 0.00 C ATOM 836 OE1 GLN A 53 8.841 10.273 -3.730 1.00 0.00 O ATOM 837 NE2 GLN A 53 10.552 9.025 -2.983 1.00 0.00 N ATOM 0 H GLN A 53 6.790 6.103 -4.480 1.00 0.00 H new ATOM 0 HA GLN A 53 6.269 8.855 -3.776 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.738 7.634 -6.147 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.812 9.311 -5.643 1.00 0.00 H new ATOM 0 HG2 GLN A 53 8.551 7.236 -3.617 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.663 7.496 -4.946 1.00 0.00 H new ATOM 0 HE21 GLN A 53 11.000 8.109 -2.953 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.971 9.814 -2.491 1.00 0.00 H new ATOM 846 N GLN A 54 4.657 7.426 -6.201 1.00 0.00 N ATOM 847 CA GLN A 54 3.587 7.602 -7.178 1.00 0.00 C ATOM 848 C GLN A 54 2.217 7.475 -6.519 1.00 0.00 C ATOM 849 O GLN A 54 1.372 8.362 -6.649 1.00 0.00 O ATOM 850 CB GLN A 54 3.724 6.573 -8.303 1.00 0.00 C ATOM 851 CG GLN A 54 4.372 7.130 -9.560 1.00 0.00 C ATOM 852 CD GLN A 54 3.879 6.447 -10.822 1.00 0.00 C ATOM 853 OE1 GLN A 54 4.638 5.763 -11.508 1.00 0.00 O ATOM 854 NE2 GLN A 54 2.601 6.631 -11.133 1.00 0.00 N ATOM 0 H GLN A 54 4.917 6.455 -6.029 1.00 0.00 H new ATOM 0 HA GLN A 54 3.673 8.604 -7.597 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.314 5.730 -7.943 1.00 0.00 H new ATOM 0 HB3 GLN A 54 2.736 6.187 -8.554 1.00 0.00 H new ATOM 0 HG2 GLN A 54 4.168 8.199 -9.626 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.454 7.016 -9.488 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.008 7.206 -10.535 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.212 6.197 -11.970 1.00 0.00 H new ATOM 863 N VAL A 55 2.000 6.369 -5.816 1.00 0.00 N ATOM 864 CA VAL A 55 0.730 6.129 -5.143 1.00 0.00 C ATOM 865 C VAL A 55 0.801 6.516 -3.669 1.00 0.00 C ATOM 866 O VAL A 55 0.159 5.895 -2.822 1.00 0.00 O ATOM 867 CB VAL A 55 0.306 4.652 -5.252 1.00 0.00 C ATOM 868 CG1 VAL A 55 0.017 4.286 -6.700 1.00 0.00 C ATOM 869 CG2 VAL A 55 1.379 3.743 -4.670 1.00 0.00 C ATOM 0 H VAL A 55 2.687 5.625 -5.698 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.011 6.752 -5.643 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.608 4.512 -4.675 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.281 3.239 -6.758 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.788 4.914 -7.080 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.913 4.442 -7.301 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.061 2.704 -4.756 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.311 3.884 -5.217 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.534 3.989 -3.620 1.00 0.00 H new ATOM 879 N ALA A 56 1.581 7.549 -3.369 1.00 0.00 N ATOM 880 CA ALA A 56 1.731 8.018 -1.997 1.00 0.00 C ATOM 881 C ALA A 56 2.593 9.275 -1.938 1.00 0.00 C ATOM 882 O ALA A 56 3.365 9.554 -2.856 1.00 0.00 O ATOM 883 CB ALA A 56 2.328 6.923 -1.126 1.00 0.00 C ATOM 0 H ALA A 56 2.118 8.077 -4.057 1.00 0.00 H new ATOM 0 HA ALA A 56 0.742 8.270 -1.615 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.434 7.288 -0.104 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.671 6.053 -1.134 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.307 6.642 -1.514 1.00 0.00 H new ATOM 889 N ASN A 57 2.457 10.029 -0.852 1.00 0.00 N ATOM 890 CA ASN A 57 3.223 11.256 -0.673 1.00 0.00 C ATOM 891 C ASN A 57 4.221 11.111 0.472 1.00 0.00 C ATOM 892 O ASN A 57 3.856 10.720 1.581 1.00 0.00 O ATOM 893 CB ASN A 57 2.284 12.433 -0.399 1.00 0.00 C ATOM 894 CG ASN A 57 1.768 13.070 -1.675 1.00 0.00 C ATOM 895 OD1 ASN A 57 2.379 13.993 -2.213 1.00 0.00 O ATOM 896 ND2 ASN A 57 0.637 12.577 -2.166 1.00 0.00 N ATOM 0 H ASN A 57 1.823 9.811 -0.083 1.00 0.00 H new ATOM 0 HA ASN A 57 3.776 11.447 -1.593 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.440 12.089 0.199 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.809 13.183 0.192 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.241 12.964 -3.023 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.164 11.811 -1.687 1.00 0.00 H new ATOM 903 N MET A 58 5.481 11.429 0.195 1.00 0.00 N ATOM 904 CA MET A 58 6.532 11.333 1.202 1.00 0.00 C ATOM 905 C MET A 58 6.559 12.581 2.079 1.00 0.00 C ATOM 906 O MET A 58 6.366 13.696 1.596 1.00 0.00 O ATOM 907 CB MET A 58 7.893 11.132 0.531 1.00 0.00 C ATOM 908 CG MET A 58 8.658 9.928 1.056 1.00 0.00 C ATOM 909 SD MET A 58 8.111 8.379 0.313 1.00 0.00 S ATOM 910 CE MET A 58 9.502 7.314 0.687 1.00 0.00 C ATOM 0 H MET A 58 5.799 11.755 -0.718 1.00 0.00 H new ATOM 0 HA MET A 58 6.319 10.472 1.836 1.00 0.00 H new ATOM 0 HB2 MET A 58 7.746 11.019 -0.543 1.00 0.00 H new ATOM 0 HB3 MET A 58 8.497 12.028 0.677 1.00 0.00 H new ATOM 0 HG2 MET A 58 9.722 10.065 0.860 1.00 0.00 H new ATOM 0 HG3 MET A 58 8.538 9.870 2.138 1.00 0.00 H new ATOM 0 HE1 MET A 58 9.226 6.276 0.502 1.00 0.00 H new ATOM 0 HE2 MET A 58 10.347 7.583 0.053 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.781 7.434 1.734 1.00 0.00 H new ATOM 920 N SER A 59 6.800 12.385 3.371 1.00 0.00 N ATOM 921 CA SER A 59 6.852 13.495 4.316 1.00 0.00 C ATOM 922 C SER A 59 8.222 14.166 4.291 1.00 0.00 C ATOM 923 O SER A 59 9.254 13.494 4.321 1.00 0.00 O ATOM 924 CB SER A 59 6.539 13.003 5.731 1.00 0.00 C ATOM 925 OG SER A 59 5.882 14.006 6.486 1.00 0.00 O ATOM 0 H SER A 59 6.962 11.468 3.788 1.00 0.00 H new ATOM 0 HA SER A 59 6.102 14.228 4.019 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.912 12.113 5.679 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.463 12.713 6.231 1.00 0.00 H new ATOM 0 HG SER A 59 5.692 13.666 7.385 1.00 0.00 H new ATOM 931 N ALA A 60 8.226 15.493 4.237 1.00 0.00 N ATOM 932 CA ALA A 60 9.469 16.253 4.209 1.00 0.00 C ATOM 933 C ALA A 60 9.955 16.560 5.622 1.00 0.00 C ATOM 934 O ALA A 60 9.935 17.711 6.060 1.00 0.00 O ATOM 935 CB ALA A 60 9.282 17.541 3.419 1.00 0.00 C ATOM 0 H ALA A 60 7.382 16.065 4.212 1.00 0.00 H new ATOM 0 HA ALA A 60 10.228 15.646 3.716 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.218 18.099 3.406 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.988 17.302 2.397 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.506 18.146 3.888 1.00 0.00 H new ATOM 941 N LYS A 61 10.390 15.524 6.331 1.00 0.00 N ATOM 942 CA LYS A 61 10.881 15.680 7.694 1.00 0.00 C ATOM 943 C LYS A 61 11.387 14.352 8.246 1.00 0.00 C ATOM 944 O LYS A 61 12.458 14.285 8.850 1.00 0.00 O ATOM 945 CB LYS A 61 9.776 16.239 8.595 1.00 0.00 C ATOM 946 CG LYS A 61 10.194 17.478 9.371 1.00 0.00 C ATOM 947 CD LYS A 61 8.987 18.237 9.896 1.00 0.00 C ATOM 948 CE LYS A 61 9.405 19.415 10.763 1.00 0.00 C ATOM 949 NZ LYS A 61 8.485 20.575 10.605 1.00 0.00 N ATOM 0 H LYS A 61 10.412 14.566 5.983 1.00 0.00 H new ATOM 0 HA LYS A 61 11.714 16.383 7.677 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.906 16.479 7.983 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.467 15.466 9.299 1.00 0.00 H new ATOM 0 HG2 LYS A 61 10.834 17.188 10.204 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.784 18.130 8.727 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.388 18.594 9.059 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.356 17.563 10.475 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.425 19.107 11.808 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.419 19.717 10.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.804 21.357 11.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.485 20.885 9.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.522 20.294 10.880 1.00 0.00 H new ATOM 963 N ASP A 62 10.608 13.295 8.036 1.00 0.00 N ATOM 964 CA ASP A 62 10.977 11.966 8.512 1.00 0.00 C ATOM 965 C ASP A 62 10.983 10.959 7.365 1.00 0.00 C ATOM 966 O ASP A 62 12.021 10.387 7.034 1.00 0.00 O ATOM 967 CB ASP A 62 10.009 11.506 9.604 1.00 0.00 C ATOM 968 CG ASP A 62 10.018 12.425 10.810 1.00 0.00 C ATOM 969 OD1 ASP A 62 10.137 13.654 10.619 1.00 0.00 O ATOM 970 OD2 ASP A 62 9.905 11.916 11.944 1.00 0.00 O ATOM 0 H ASP A 62 9.718 13.333 7.540 1.00 0.00 H new ATOM 0 HA ASP A 62 11.983 12.023 8.927 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.000 11.458 9.195 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.273 10.496 9.918 1.00 0.00 H new ATOM 975 N GLY A 63 9.817 10.750 6.762 1.00 0.00 N ATOM 976 CA GLY A 63 9.710 9.813 5.659 1.00 0.00 C ATOM 977 C GLY A 63 8.519 8.885 5.796 1.00 0.00 C ATOM 978 O GLY A 63 8.629 7.684 5.557 1.00 0.00 O ATOM 0 H GLY A 63 8.945 11.213 7.017 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.629 10.366 4.723 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.623 9.220 5.601 1.00 0.00 H new ATOM 982 N THR A 64 7.376 9.444 6.183 1.00 0.00 N ATOM 983 CA THR A 64 6.159 8.658 6.351 1.00 0.00 C ATOM 984 C THR A 64 5.263 8.776 5.122 1.00 0.00 C ATOM 985 O THR A 64 4.749 9.852 4.817 1.00 0.00 O ATOM 986 CB THR A 64 5.398 9.115 7.597 1.00 0.00 C ATOM 987 OG1 THR A 64 6.264 9.781 8.498 1.00 0.00 O ATOM 988 CG2 THR A 64 4.742 7.977 8.348 1.00 0.00 C ATOM 0 H THR A 64 7.268 10.438 6.386 1.00 0.00 H new ATOM 0 HA THR A 64 6.445 7.613 6.472 1.00 0.00 H new ATOM 0 HB THR A 64 4.620 9.784 7.230 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.758 10.067 9.287 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.220 8.370 9.220 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.030 7.473 7.695 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.504 7.267 8.671 1.00 0.00 H new ATOM 996 N CYS A 65 5.080 7.661 4.420 1.00 0.00 N ATOM 997 CA CYS A 65 4.245 7.640 3.224 1.00 0.00 C ATOM 998 C CYS A 65 2.781 7.880 3.577 1.00 0.00 C ATOM 999 O CYS A 65 2.302 7.434 4.618 1.00 0.00 O ATOM 1000 CB CYS A 65 4.394 6.301 2.499 1.00 0.00 C ATOM 1001 SG CYS A 65 6.090 5.915 2.003 1.00 0.00 S ATOM 0 H CYS A 65 5.498 6.762 4.659 1.00 0.00 H new ATOM 0 HA CYS A 65 4.576 8.443 2.565 1.00 0.00 H new ATOM 0 HB2 CYS A 65 4.027 5.506 3.148 1.00 0.00 H new ATOM 0 HB3 CYS A 65 3.760 6.307 1.612 1.00 0.00 H new ATOM 0 HG CYS A 65 6.616 6.948 1.414 1.00 0.00 H new ATOM 1007 N THR A 66 2.075 8.588 2.700 1.00 0.00 N ATOM 1008 CA THR A 66 0.664 8.888 2.918 1.00 0.00 C ATOM 1009 C THR A 66 -0.133 8.726 1.629 1.00 0.00 C ATOM 1010 O THR A 66 0.142 9.390 0.630 1.00 0.00 O ATOM 1011 CB THR A 66 0.502 10.310 3.457 1.00 0.00 C ATOM 1012 OG1 THR A 66 1.409 11.193 2.821 1.00 0.00 O ATOM 1013 CG2 THR A 66 0.728 10.415 4.949 1.00 0.00 C ATOM 0 H THR A 66 2.457 8.964 1.832 1.00 0.00 H new ATOM 0 HA THR A 66 0.277 8.182 3.653 1.00 0.00 H new ATOM 0 HB THR A 66 -0.531 10.584 3.244 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.289 12.098 3.178 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.598 11.450 5.265 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.010 9.783 5.471 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.740 10.088 5.188 1.00 0.00 H new ATOM 1021 N LEU A 67 -1.122 7.839 1.658 1.00 0.00 N ATOM 1022 CA LEU A 67 -1.960 7.591 0.490 1.00 0.00 C ATOM 1023 C LEU A 67 -2.688 8.861 0.063 1.00 0.00 C ATOM 1024 O LEU A 67 -2.959 9.739 0.882 1.00 0.00 O ATOM 1025 CB LEU A 67 -2.972 6.483 0.789 1.00 0.00 C ATOM 1026 CG LEU A 67 -3.573 5.804 -0.443 1.00 0.00 C ATOM 1027 CD1 LEU A 67 -2.662 4.690 -0.936 1.00 0.00 C ATOM 1028 CD2 LEU A 67 -4.959 5.263 -0.128 1.00 0.00 C ATOM 0 H LEU A 67 -1.363 7.280 2.477 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.315 7.272 -0.329 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.486 5.724 1.402 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.782 6.903 1.385 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.666 6.546 -1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.106 4.218 -1.813 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.690 5.105 -1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.537 3.947 -0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.373 4.783 -1.015 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.890 4.535 0.680 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.609 6.083 0.177 1.00 0.00 H new ATOM 1040 N GLN A 68 -3.004 8.952 -1.225 1.00 0.00 N ATOM 1041 CA GLN A 68 -3.702 10.115 -1.761 1.00 0.00 C ATOM 1042 C GLN A 68 -5.208 9.985 -1.562 1.00 0.00 C ATOM 1043 O GLN A 68 -5.705 8.924 -1.186 1.00 0.00 O ATOM 1044 CB GLN A 68 -3.384 10.287 -3.247 1.00 0.00 C ATOM 1045 CG GLN A 68 -1.904 10.162 -3.570 1.00 0.00 C ATOM 1046 CD GLN A 68 -1.578 10.585 -4.989 1.00 0.00 C ATOM 1047 OE1 GLN A 68 -2.473 10.779 -5.812 1.00 0.00 O ATOM 1048 NE2 GLN A 68 -0.291 10.731 -5.283 1.00 0.00 N ATOM 0 H GLN A 68 -2.788 8.234 -1.917 1.00 0.00 H new ATOM 0 HA GLN A 68 -3.357 10.996 -1.219 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.936 9.540 -3.817 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -3.738 11.264 -3.575 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -1.331 10.773 -2.872 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -1.590 9.129 -3.422 1.00 0.00 H new ATOM 0 HE21 GLN A 68 0.418 10.560 -4.570 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -0.011 11.014 -6.222 1.00 0.00 H new ATOM 1057 N ASP A 69 -5.928 11.072 -1.816 1.00 0.00 N ATOM 1058 CA ASP A 69 -7.379 11.082 -1.664 1.00 0.00 C ATOM 1059 C ASP A 69 -8.047 10.221 -2.732 1.00 0.00 C ATOM 1060 O ASP A 69 -8.974 9.464 -2.444 1.00 0.00 O ATOM 1061 CB ASP A 69 -7.911 12.514 -1.741 1.00 0.00 C ATOM 1062 CG ASP A 69 -8.010 13.168 -0.377 1.00 0.00 C ATOM 1063 OD1 ASP A 69 -7.147 12.886 0.480 1.00 0.00 O ATOM 1064 OD2 ASP A 69 -8.951 13.963 -0.167 1.00 0.00 O ATOM 0 H ASP A 69 -5.531 11.958 -2.128 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.618 10.664 -0.686 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -7.257 13.108 -2.379 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -8.895 12.508 -2.211 1.00 0.00 H new ATOM 1069 N CYS A 70 -7.570 10.343 -3.967 1.00 0.00 N ATOM 1070 CA CYS A 70 -8.122 9.578 -5.079 1.00 0.00 C ATOM 1071 C CYS A 70 -7.711 8.111 -4.991 1.00 0.00 C ATOM 1072 O CYS A 70 -8.498 7.216 -5.299 1.00 0.00 O ATOM 1073 CB CYS A 70 -7.658 10.169 -6.411 1.00 0.00 C ATOM 1074 SG CYS A 70 -8.763 11.435 -7.081 1.00 0.00 S ATOM 0 H CYS A 70 -6.803 10.964 -4.223 1.00 0.00 H new ATOM 0 HA CYS A 70 -9.209 9.635 -5.021 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -6.666 10.601 -6.279 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -7.561 9.364 -7.139 1.00 0.00 H new ATOM 0 HG CYS A 70 -8.285 11.876 -8.207 1.00 0.00 H new ATOM 1080 N MET A 71 -6.474 7.872 -4.570 1.00 0.00 N ATOM 1081 CA MET A 71 -5.958 6.514 -4.442 1.00 0.00 C ATOM 1082 C MET A 71 -6.806 5.693 -3.476 1.00 0.00 C ATOM 1083 O MET A 71 -6.915 4.474 -3.610 1.00 0.00 O ATOM 1084 CB MET A 71 -4.504 6.540 -3.968 1.00 0.00 C ATOM 1085 CG MET A 71 -3.537 7.096 -5.001 1.00 0.00 C ATOM 1086 SD MET A 71 -3.572 6.177 -6.552 1.00 0.00 S ATOM 1087 CE MET A 71 -3.244 4.516 -5.969 1.00 0.00 C ATOM 0 H MET A 71 -5.810 8.601 -4.311 1.00 0.00 H new ATOM 0 HA MET A 71 -6.005 6.043 -5.424 1.00 0.00 H new ATOM 0 HB2 MET A 71 -4.437 7.140 -3.060 1.00 0.00 H new ATOM 0 HB3 MET A 71 -4.198 5.527 -3.704 1.00 0.00 H new ATOM 0 HG2 MET A 71 -3.781 8.140 -5.196 1.00 0.00 H new ATOM 0 HG3 MET A 71 -2.526 7.076 -4.594 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.754 3.944 -6.757 1.00 0.00 H new ATOM 0 HE2 MET A 71 -2.595 4.559 -5.094 1.00 0.00 H new ATOM 0 HE3 MET A 71 -4.183 4.032 -5.701 1.00 0.00 H new ATOM 1097 N TYR A 72 -7.407 6.368 -2.501 1.00 0.00 N ATOM 1098 CA TYR A 72 -8.246 5.699 -1.512 1.00 0.00 C ATOM 1099 C TYR A 72 -9.409 4.977 -2.183 1.00 0.00 C ATOM 1100 O TYR A 72 -9.870 3.942 -1.701 1.00 0.00 O ATOM 1101 CB TYR A 72 -8.776 6.710 -0.495 1.00 0.00 C ATOM 1102 CG TYR A 72 -7.866 6.903 0.698 1.00 0.00 C ATOM 1103 CD1 TYR A 72 -7.625 5.864 1.587 1.00 0.00 C ATOM 1104 CD2 TYR A 72 -7.249 8.125 0.934 1.00 0.00 C ATOM 1105 CE1 TYR A 72 -6.794 6.036 2.678 1.00 0.00 C ATOM 1106 CE2 TYR A 72 -6.416 8.306 2.023 1.00 0.00 C ATOM 1107 CZ TYR A 72 -6.192 7.258 2.891 1.00 0.00 C ATOM 1108 OH TYR A 72 -5.364 7.434 3.976 1.00 0.00 O ATOM 0 H TYR A 72 -7.329 7.377 -2.374 1.00 0.00 H new ATOM 0 HA TYR A 72 -7.635 4.960 -0.994 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -8.920 7.670 -0.991 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -9.755 6.382 -0.145 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.095 4.905 1.423 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.423 8.947 0.256 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.617 5.218 3.360 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.944 9.262 2.193 1.00 0.00 H new ATOM 0 HH TYR A 72 -4.519 7.833 3.681 1.00 0.00 H new ATOM 1118 N LYS A 73 -9.879 5.528 -3.297 1.00 0.00 N ATOM 1119 CA LYS A 73 -10.989 4.934 -4.033 1.00 0.00 C ATOM 1120 C LYS A 73 -10.583 3.594 -4.639 1.00 0.00 C ATOM 1121 O LYS A 73 -11.409 2.694 -4.790 1.00 0.00 O ATOM 1122 CB LYS A 73 -11.462 5.883 -5.136 1.00 0.00 C ATOM 1123 CG LYS A 73 -11.885 7.250 -4.623 1.00 0.00 C ATOM 1124 CD LYS A 73 -13.397 7.353 -4.493 1.00 0.00 C ATOM 1125 CE LYS A 73 -13.880 6.805 -3.158 1.00 0.00 C ATOM 1126 NZ LYS A 73 -15.143 6.031 -3.301 1.00 0.00 N ATOM 0 H LYS A 73 -9.509 6.384 -3.710 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.808 4.764 -3.334 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.660 6.009 -5.863 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.300 5.426 -5.662 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.422 7.435 -3.654 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.524 8.022 -5.302 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -13.702 8.395 -4.592 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.872 6.804 -5.306 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.109 6.166 -2.727 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.036 7.629 -2.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -15.439 5.675 -2.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -15.886 6.647 -3.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.988 5.229 -3.945 1.00 0.00 H new ATOM 1140 N ASP A 74 -9.306 3.469 -4.985 1.00 0.00 N ATOM 1141 CA ASP A 74 -8.789 2.239 -5.574 1.00 0.00 C ATOM 1142 C ASP A 74 -8.817 1.094 -4.565 1.00 0.00 C ATOM 1143 O ASP A 74 -8.915 -0.074 -4.940 1.00 0.00 O ATOM 1144 CB ASP A 74 -7.361 2.452 -6.080 1.00 0.00 C ATOM 1145 CG ASP A 74 -7.322 3.177 -7.411 1.00 0.00 C ATOM 1146 OD1 ASP A 74 -7.631 2.541 -8.442 1.00 0.00 O ATOM 1147 OD2 ASP A 74 -6.983 4.379 -7.424 1.00 0.00 O ATOM 0 H ASP A 74 -8.610 4.205 -4.868 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.430 1.973 -6.414 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.798 3.023 -5.342 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.866 1.486 -6.181 1.00 0.00 H new ATOM 1152 N VAL A 75 -8.728 1.437 -3.283 1.00 0.00 N ATOM 1153 CA VAL A 75 -8.743 0.437 -2.220 1.00 0.00 C ATOM 1154 C VAL A 75 -9.990 -0.438 -2.302 1.00 0.00 C ATOM 1155 O VAL A 75 -11.088 0.054 -2.559 1.00 0.00 O ATOM 1156 CB VAL A 75 -8.681 1.093 -0.830 1.00 0.00 C ATOM 1157 CG1 VAL A 75 -8.498 0.041 0.253 1.00 0.00 C ATOM 1158 CG2 VAL A 75 -7.564 2.125 -0.774 1.00 0.00 C ATOM 0 H VAL A 75 -8.645 2.399 -2.955 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.858 -0.184 -2.360 1.00 0.00 H new ATOM 0 HB VAL A 75 -9.627 1.604 -0.650 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.457 0.526 1.228 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.336 -0.655 0.229 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.570 -0.503 0.079 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.536 2.578 0.217 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.610 1.640 -0.978 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.745 2.898 -1.521 1.00 0.00 H new ATOM 1168 N GLN A 76 -9.811 -1.736 -2.081 1.00 0.00 N ATOM 1169 CA GLN A 76 -10.922 -2.680 -2.129 1.00 0.00 C ATOM 1170 C GLN A 76 -11.367 -3.070 -0.723 1.00 0.00 C ATOM 1171 O GLN A 76 -10.566 -3.077 0.212 1.00 0.00 O ATOM 1172 CB GLN A 76 -10.523 -3.930 -2.914 1.00 0.00 C ATOM 1173 CG GLN A 76 -9.908 -3.626 -4.271 1.00 0.00 C ATOM 1174 CD GLN A 76 -9.586 -4.882 -5.059 1.00 0.00 C ATOM 1175 OE1 GLN A 76 -10.149 -5.119 -6.127 1.00 0.00 O ATOM 1176 NE2 GLN A 76 -8.676 -5.693 -4.532 1.00 0.00 N ATOM 0 H GLN A 76 -8.908 -2.158 -1.867 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.757 -2.193 -2.633 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -9.812 -4.508 -2.324 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -11.404 -4.556 -3.056 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -10.595 -3.006 -4.847 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.996 -3.045 -4.131 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.235 -5.456 -3.643 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.418 -6.553 -5.016 1.00 0.00 H new ATOM 1185 N LYS A 77 -12.648 -3.394 -0.582 1.00 0.00 N ATOM 1186 CA LYS A 77 -13.198 -3.788 0.710 1.00 0.00 C ATOM 1187 C LYS A 77 -13.002 -5.281 0.955 1.00 0.00 C ATOM 1188 O LYS A 77 -12.956 -5.731 2.101 1.00 0.00 O ATOM 1189 CB LYS A 77 -14.686 -3.436 0.782 1.00 0.00 C ATOM 1190 CG LYS A 77 -14.970 -2.141 1.525 1.00 0.00 C ATOM 1191 CD LYS A 77 -16.254 -2.233 2.335 1.00 0.00 C ATOM 1192 CE LYS A 77 -17.479 -1.962 1.476 1.00 0.00 C ATOM 1193 NZ LYS A 77 -18.267 -3.200 1.227 1.00 0.00 N ATOM 0 H LYS A 77 -13.324 -3.392 -1.346 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.664 -3.240 1.486 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -15.082 -3.358 -0.231 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -15.220 -4.250 1.271 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -14.136 -1.910 2.188 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -15.047 -1.320 0.812 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -16.334 -3.225 2.780 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -16.219 -1.517 3.156 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -18.111 -1.222 1.968 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -17.167 -1.533 0.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -19.093 -2.973 0.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -17.672 -3.897 0.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -18.587 -3.596 2.134 1.00 0.00 H new ATOM 1207 N ASP A 78 -12.886 -6.047 -0.126 1.00 0.00 N ATOM 1208 CA ASP A 78 -12.694 -7.489 -0.025 1.00 0.00 C ATOM 1209 C ASP A 78 -11.211 -7.849 -0.080 1.00 0.00 C ATOM 1210 O ASP A 78 -10.818 -8.811 -0.738 1.00 0.00 O ATOM 1211 CB ASP A 78 -13.448 -8.204 -1.149 1.00 0.00 C ATOM 1212 CG ASP A 78 -14.852 -8.604 -0.740 1.00 0.00 C ATOM 1213 OD1 ASP A 78 -14.990 -9.557 0.056 1.00 0.00 O ATOM 1214 OD2 ASP A 78 -15.814 -7.965 -1.216 1.00 0.00 O ATOM 0 H ASP A 78 -12.922 -5.692 -1.082 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.091 -7.816 0.936 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -13.498 -7.552 -2.021 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.892 -9.093 -1.447 1.00 0.00 H new ATOM 1219 N TRP A 79 -10.393 -7.068 0.618 1.00 0.00 N ATOM 1220 CA TRP A 79 -8.955 -7.306 0.650 1.00 0.00 C ATOM 1221 C TRP A 79 -8.604 -8.373 1.688 1.00 0.00 C ATOM 1222 O TRP A 79 -8.878 -8.204 2.876 1.00 0.00 O ATOM 1223 CB TRP A 79 -8.210 -6.007 0.968 1.00 0.00 C ATOM 1224 CG TRP A 79 -6.720 -6.156 0.948 1.00 0.00 C ATOM 1225 CD1 TRP A 79 -5.870 -6.046 2.011 1.00 0.00 C ATOM 1226 CD2 TRP A 79 -5.902 -6.440 -0.193 1.00 0.00 C ATOM 1227 NE1 TRP A 79 -4.575 -6.246 1.601 1.00 0.00 N ATOM 1228 CE2 TRP A 79 -4.567 -6.489 0.253 1.00 0.00 C ATOM 1229 CE3 TRP A 79 -6.168 -6.658 -1.548 1.00 0.00 C ATOM 1230 CZ2 TRP A 79 -3.504 -6.748 -0.609 1.00 0.00 C ATOM 1231 CZ3 TRP A 79 -5.112 -6.916 -2.401 1.00 0.00 C ATOM 1232 CH2 TRP A 79 -3.794 -6.958 -1.929 1.00 0.00 C ATOM 0 H TRP A 79 -10.701 -6.266 1.168 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.648 -7.663 -0.333 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -8.501 -5.244 0.246 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.519 -5.651 1.951 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -6.172 -5.833 3.026 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -3.752 -6.218 2.203 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.181 -6.625 -1.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -2.487 -6.782 -0.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -5.306 -7.088 -3.449 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -2.990 -7.160 -2.621 1.00 0.00 H new ATOM 1243 N PRO A 80 -7.993 -9.492 1.254 1.00 0.00 N ATOM 1244 CA PRO A 80 -7.612 -10.581 2.160 1.00 0.00 C ATOM 1245 C PRO A 80 -6.810 -10.086 3.360 1.00 0.00 C ATOM 1246 O PRO A 80 -6.804 -10.715 4.418 1.00 0.00 O ATOM 1247 CB PRO A 80 -6.752 -11.491 1.282 1.00 0.00 C ATOM 1248 CG PRO A 80 -7.225 -11.233 -0.107 1.00 0.00 C ATOM 1249 CD PRO A 80 -7.626 -9.784 -0.145 1.00 0.00 C ATOM 0 HA PRO A 80 -8.484 -11.077 2.587 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -5.692 -11.259 1.389 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -6.878 -12.539 1.555 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -6.438 -11.439 -0.832 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.067 -11.878 -0.359 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -6.808 -9.150 -0.486 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -8.463 -9.617 -0.823 1.00 0.00 H new ATOM 1257 N GLY A 81 -6.135 -8.954 3.188 1.00 0.00 N ATOM 1258 CA GLY A 81 -5.339 -8.393 4.265 1.00 0.00 C ATOM 1259 C GLY A 81 -6.162 -8.102 5.504 1.00 0.00 C ATOM 1260 O GLY A 81 -5.804 -8.513 6.606 1.00 0.00 O ATOM 0 H GLY A 81 -6.125 -8.415 2.322 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.538 -9.087 4.520 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.867 -7.472 3.922 1.00 0.00 H new ATOM 1264 N TYR A 82 -7.268 -7.388 5.323 1.00 0.00 N ATOM 1265 CA TYR A 82 -8.145 -7.041 6.435 1.00 0.00 C ATOM 1266 C TYR A 82 -8.905 -8.267 6.932 1.00 0.00 C ATOM 1267 O TYR A 82 -8.851 -9.333 6.319 1.00 0.00 O ATOM 1268 CB TYR A 82 -9.132 -5.950 6.015 1.00 0.00 C ATOM 1269 CG TYR A 82 -8.478 -4.775 5.323 1.00 0.00 C ATOM 1270 CD1 TYR A 82 -7.308 -4.216 5.820 1.00 0.00 C ATOM 1271 CD2 TYR A 82 -9.031 -4.225 4.174 1.00 0.00 C ATOM 1272 CE1 TYR A 82 -6.707 -3.141 5.192 1.00 0.00 C ATOM 1273 CE2 TYR A 82 -8.437 -3.151 3.539 1.00 0.00 C ATOM 1274 CZ TYR A 82 -7.275 -2.613 4.051 1.00 0.00 C ATOM 1275 OH TYR A 82 -6.681 -1.544 3.422 1.00 0.00 O ATOM 0 H TYR A 82 -7.578 -7.038 4.416 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.525 -6.665 7.249 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -9.878 -6.384 5.349 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -9.662 -5.592 6.898 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -6.860 -4.628 6.712 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -9.941 -4.644 3.770 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.798 -2.717 5.592 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -8.880 -2.735 2.646 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.738 -1.493 3.684 1.00 0.00 H new ATOM 1285 N SER A 83 -9.612 -8.107 8.046 1.00 0.00 N ATOM 1286 CA SER A 83 -10.382 -9.202 8.624 1.00 0.00 C ATOM 1287 C SER A 83 -11.648 -8.681 9.298 1.00 0.00 C ATOM 1288 O SER A 83 -12.751 -9.153 9.019 1.00 0.00 O ATOM 1289 CB SER A 83 -9.531 -9.975 9.634 1.00 0.00 C ATOM 1290 OG SER A 83 -9.655 -11.373 9.442 1.00 0.00 O ATOM 0 H SER A 83 -9.668 -7.231 8.566 1.00 0.00 H new ATOM 0 HA SER A 83 -10.673 -9.874 7.817 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.486 -9.682 9.533 1.00 0.00 H new ATOM 0 HB3 SER A 83 -9.838 -9.715 10.647 1.00 0.00 H new ATOM 0 HG SER A 83 -9.100 -11.844 10.099 1.00 0.00 H new ATOM 1296 N GLU A 84 -11.481 -7.708 10.187 1.00 0.00 N ATOM 1297 CA GLU A 84 -12.611 -7.125 10.902 1.00 0.00 C ATOM 1298 C GLU A 84 -12.206 -5.829 11.597 1.00 0.00 C ATOM 1299 O GLU A 84 -12.820 -4.783 11.391 1.00 0.00 O ATOM 1300 CB GLU A 84 -13.161 -8.118 11.928 1.00 0.00 C ATOM 1301 CG GLU A 84 -14.653 -7.974 12.176 1.00 0.00 C ATOM 1302 CD GLU A 84 -15.248 -9.187 12.864 1.00 0.00 C ATOM 1303 OE1 GLU A 84 -15.068 -9.319 14.093 1.00 0.00 O ATOM 1304 OE2 GLU A 84 -15.894 -10.004 12.175 1.00 0.00 O ATOM 0 H GLU A 84 -10.575 -7.307 10.430 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.390 -6.897 10.174 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.954 -9.132 11.586 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.630 -7.985 12.871 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.833 -7.089 12.787 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -15.162 -7.813 11.226 1.00 0.00 H new ATOM 1311 N GLY A 85 -11.167 -5.907 12.424 1.00 0.00 N ATOM 1312 CA GLY A 85 -10.698 -4.734 13.137 1.00 0.00 C ATOM 1313 C GLY A 85 -10.157 -3.666 12.207 1.00 0.00 C ATOM 1314 O GLY A 85 -10.366 -2.474 12.432 1.00 0.00 O ATOM 0 H GLY A 85 -10.643 -6.761 12.612 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -11.517 -4.319 13.724 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -9.918 -5.028 13.840 1.00 0.00 H new ATOM 1318 N ASP A 86 -9.460 -4.094 11.159 1.00 0.00 N ATOM 1319 CA ASP A 86 -8.887 -3.165 10.193 1.00 0.00 C ATOM 1320 C ASP A 86 -9.945 -2.692 9.201 1.00 0.00 C ATOM 1321 O ASP A 86 -9.888 -1.567 8.707 1.00 0.00 O ATOM 1322 CB ASP A 86 -7.727 -3.826 9.444 1.00 0.00 C ATOM 1323 CG ASP A 86 -6.531 -4.079 10.340 1.00 0.00 C ATOM 1324 OD1 ASP A 86 -5.705 -3.156 10.503 1.00 0.00 O ATOM 1325 OD2 ASP A 86 -6.419 -5.199 10.881 1.00 0.00 O ATOM 0 H ASP A 86 -9.279 -5.077 10.958 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.512 -2.298 10.737 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.065 -4.771 9.018 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.426 -3.190 8.612 1.00 0.00 H new ATOM 1330 N GLN A 87 -10.909 -3.561 8.913 1.00 0.00 N ATOM 1331 CA GLN A 87 -11.981 -3.232 7.981 1.00 0.00 C ATOM 1332 C GLN A 87 -12.818 -2.069 8.504 1.00 0.00 C ATOM 1333 O GLN A 87 -13.224 -1.192 7.742 1.00 0.00 O ATOM 1334 CB GLN A 87 -12.872 -4.455 7.745 1.00 0.00 C ATOM 1335 CG GLN A 87 -12.604 -5.158 6.425 1.00 0.00 C ATOM 1336 CD GLN A 87 -13.363 -6.464 6.294 1.00 0.00 C ATOM 1337 OE1 GLN A 87 -14.577 -6.511 6.490 1.00 0.00 O ATOM 1338 NE2 GLN A 87 -12.648 -7.532 5.964 1.00 0.00 N ATOM 0 H GLN A 87 -10.969 -4.498 9.312 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.529 -2.933 7.035 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -12.726 -5.163 8.560 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.916 -4.145 7.776 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -12.881 -4.497 5.603 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -11.536 -5.352 6.332 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -11.643 -7.446 5.811 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -13.103 -8.439 5.863 1.00 0.00 H new ATOM 1347 N GLN A 88 -13.074 -2.070 9.807 1.00 0.00 N ATOM 1348 CA GLN A 88 -13.863 -1.015 10.433 1.00 0.00 C ATOM 1349 C GLN A 88 -13.105 0.309 10.427 1.00 0.00 C ATOM 1350 O GLN A 88 -13.697 1.374 10.253 1.00 0.00 O ATOM 1351 CB GLN A 88 -14.224 -1.402 11.867 1.00 0.00 C ATOM 1352 CG GLN A 88 -15.456 -2.287 11.968 1.00 0.00 C ATOM 1353 CD GLN A 88 -16.376 -1.880 13.102 1.00 0.00 C ATOM 1354 OE1 GLN A 88 -16.654 -0.697 13.298 1.00 0.00 O ATOM 1355 NE2 GLN A 88 -16.855 -2.862 13.858 1.00 0.00 N ATOM 0 H GLN A 88 -12.747 -2.790 10.451 1.00 0.00 H new ATOM 0 HA GLN A 88 -14.779 -0.891 9.856 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -13.378 -1.919 12.319 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -14.390 -0.495 12.448 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -16.005 -2.247 11.027 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -15.145 -3.322 12.111 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -16.599 -3.829 13.660 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -17.479 -2.649 14.636 1.00 0.00 H new ATOM 1364 N LEU A 89 -11.793 0.233 10.619 1.00 0.00 N ATOM 1365 CA LEU A 89 -10.952 1.425 10.637 1.00 0.00 C ATOM 1366 C LEU A 89 -10.866 2.052 9.249 1.00 0.00 C ATOM 1367 O LEU A 89 -10.992 3.267 9.098 1.00 0.00 O ATOM 1368 CB LEU A 89 -9.550 1.079 11.141 1.00 0.00 C ATOM 1369 CG LEU A 89 -8.632 2.280 11.378 1.00 0.00 C ATOM 1370 CD1 LEU A 89 -8.887 2.886 12.749 1.00 0.00 C ATOM 1371 CD2 LEU A 89 -7.173 1.871 11.237 1.00 0.00 C ATOM 0 H LEU A 89 -11.288 -0.641 10.764 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.406 2.148 11.315 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.643 0.522 12.074 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -9.075 0.415 10.419 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.852 3.035 10.624 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.225 3.739 12.899 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.924 3.216 12.814 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.696 2.138 13.519 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.534 2.737 11.409 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.940 1.097 11.968 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.999 1.485 10.233 1.00 0.00 H new ATOM 1383 N LEU A 90 -10.648 1.216 8.240 1.00 0.00 N ATOM 1384 CA LEU A 90 -10.543 1.688 6.862 1.00 0.00 C ATOM 1385 C LEU A 90 -11.804 2.438 6.442 1.00 0.00 C ATOM 1386 O LEU A 90 -11.756 3.314 5.579 1.00 0.00 O ATOM 1387 CB LEU A 90 -10.295 0.512 5.916 1.00 0.00 C ATOM 1388 CG LEU A 90 -10.226 0.879 4.430 1.00 0.00 C ATOM 1389 CD1 LEU A 90 -9.051 0.183 3.760 1.00 0.00 C ATOM 1390 CD2 LEU A 90 -11.529 0.518 3.731 1.00 0.00 C ATOM 0 H LEU A 90 -10.540 0.208 8.349 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.700 2.376 6.805 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.360 0.029 6.199 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -11.089 -0.222 6.057 1.00 0.00 H new ATOM 0 HG LEU A 90 -10.078 1.956 4.349 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -9.019 0.456 2.705 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.123 0.490 4.242 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -9.167 -0.897 3.851 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -11.462 0.786 2.676 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -11.707 -0.553 3.823 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -12.353 1.063 4.192 1.00 0.00 H new ATOM 1402 N LYS A 91 -12.930 2.088 7.057 1.00 0.00 N ATOM 1403 CA LYS A 91 -14.201 2.730 6.743 1.00 0.00 C ATOM 1404 C LYS A 91 -14.209 4.183 7.208 1.00 0.00 C ATOM 1405 O LYS A 91 -14.537 5.089 6.441 1.00 0.00 O ATOM 1406 CB LYS A 91 -15.356 1.969 7.398 1.00 0.00 C ATOM 1407 CG LYS A 91 -15.738 0.694 6.665 1.00 0.00 C ATOM 1408 CD LYS A 91 -16.703 -0.150 7.481 1.00 0.00 C ATOM 1409 CE LYS A 91 -17.753 -0.805 6.600 1.00 0.00 C ATOM 1410 NZ LYS A 91 -18.134 -2.156 7.098 1.00 0.00 N ATOM 0 H LYS A 91 -12.988 1.365 7.774 1.00 0.00 H new ATOM 0 HA LYS A 91 -14.329 2.713 5.661 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -15.081 1.720 8.423 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -16.227 2.622 7.451 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -16.194 0.946 5.708 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -14.840 0.115 6.448 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -16.149 -0.918 8.021 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -17.192 0.475 8.228 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -18.638 -0.171 6.558 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -17.372 -0.888 5.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -18.852 -2.568 6.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -17.294 -2.770 7.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -18.522 -2.075 8.060 1.00 0.00 H new ATOM 1424 N ARG A 92 -13.847 4.399 8.468 1.00 0.00 N ATOM 1425 CA ARG A 92 -13.814 5.741 9.036 1.00 0.00 C ATOM 1426 C ARG A 92 -12.749 6.597 8.356 1.00 0.00 C ATOM 1427 O ARG A 92 -12.905 7.811 8.226 1.00 0.00 O ATOM 1428 CB ARG A 92 -13.545 5.674 10.541 1.00 0.00 C ATOM 1429 CG ARG A 92 -12.312 4.861 10.902 1.00 0.00 C ATOM 1430 CD ARG A 92 -11.951 5.019 12.370 1.00 0.00 C ATOM 1431 NE ARG A 92 -12.896 4.329 13.244 1.00 0.00 N ATOM 1432 CZ ARG A 92 -12.665 4.073 14.530 1.00 0.00 C ATOM 1433 NH1 ARG A 92 -11.524 4.448 15.094 1.00 0.00 N ATOM 1434 NH2 ARG A 92 -13.577 3.440 15.254 1.00 0.00 N ATOM 0 H ARG A 92 -13.572 3.661 9.116 1.00 0.00 H new ATOM 0 HA ARG A 92 -14.787 6.202 8.867 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -13.428 6.687 10.926 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -14.413 5.242 11.038 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -12.491 3.809 10.682 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.472 5.178 10.284 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -10.948 4.628 12.541 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -11.928 6.078 12.626 1.00 0.00 H new ATOM 0 HE ARG A 92 -13.785 4.026 12.846 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -10.818 4.935 14.542 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -11.353 4.249 16.080 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -14.456 3.149 14.826 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -13.400 3.244 16.239 1.00 0.00 H new ATOM 1448 N VAL A 93 -11.669 5.956 7.923 1.00 0.00 N ATOM 1449 CA VAL A 93 -10.579 6.659 7.257 1.00 0.00 C ATOM 1450 C VAL A 93 -11.058 7.313 5.965 1.00 0.00 C ATOM 1451 O VAL A 93 -10.800 8.492 5.722 1.00 0.00 O ATOM 1452 CB VAL A 93 -9.409 5.709 6.936 1.00 0.00 C ATOM 1453 CG1 VAL A 93 -8.223 6.487 6.385 1.00 0.00 C ATOM 1454 CG2 VAL A 93 -9.009 4.915 8.173 1.00 0.00 C ATOM 0 H VAL A 93 -11.525 4.951 8.021 1.00 0.00 H new ATOM 0 HA VAL A 93 -10.231 7.429 7.945 1.00 0.00 H new ATOM 0 HB VAL A 93 -9.737 5.005 6.172 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -7.407 5.799 6.165 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -8.519 7.003 5.472 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -7.892 7.217 7.124 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.181 4.250 7.926 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.700 5.601 8.962 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -9.859 4.325 8.517 1.00 0.00 H new ATOM 1464 N LEU A 94 -11.754 6.540 5.138 1.00 0.00 N ATOM 1465 CA LEU A 94 -12.267 7.044 3.869 1.00 0.00 C ATOM 1466 C LEU A 94 -13.265 8.175 4.094 1.00 0.00 C ATOM 1467 O LEU A 94 -13.296 9.148 3.340 1.00 0.00 O ATOM 1468 CB LEU A 94 -12.928 5.914 3.078 1.00 0.00 C ATOM 1469 CG LEU A 94 -12.003 4.750 2.717 1.00 0.00 C ATOM 1470 CD1 LEU A 94 -12.807 3.574 2.187 1.00 0.00 C ATOM 1471 CD2 LEU A 94 -10.965 5.194 1.698 1.00 0.00 C ATOM 0 H LEU A 94 -11.976 5.562 5.324 1.00 0.00 H new ATOM 0 HA LEU A 94 -11.426 7.436 3.297 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -13.765 5.526 3.658 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -13.342 6.328 2.159 1.00 0.00 H new ATOM 0 HG LEU A 94 -11.483 4.428 3.619 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -12.132 2.756 1.936 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -13.512 3.242 2.949 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -13.354 3.880 1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.315 4.355 1.452 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -11.467 5.541 0.795 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -10.368 6.005 2.116 1.00 0.00 H new ATOM 1483 N VAL A 95 -14.079 8.041 5.136 1.00 0.00 N ATOM 1484 CA VAL A 95 -15.078 9.052 5.460 1.00 0.00 C ATOM 1485 C VAL A 95 -14.422 10.395 5.763 1.00 0.00 C ATOM 1486 O VAL A 95 -15.002 11.452 5.513 1.00 0.00 O ATOM 1487 CB VAL A 95 -15.936 8.629 6.669 1.00 0.00 C ATOM 1488 CG1 VAL A 95 -17.068 9.620 6.896 1.00 0.00 C ATOM 1489 CG2 VAL A 95 -16.482 7.222 6.471 1.00 0.00 C ATOM 0 H VAL A 95 -14.066 7.242 5.770 1.00 0.00 H new ATOM 0 HA VAL A 95 -15.721 9.152 4.585 1.00 0.00 H new ATOM 0 HB VAL A 95 -15.303 8.627 7.556 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -17.662 9.304 7.754 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -16.653 10.609 7.087 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -17.702 9.658 6.010 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -17.085 6.941 7.334 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -17.099 7.194 5.573 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -15.653 6.522 6.364 1.00 0.00 H new ATOM 1499 N ARG A 96 -13.208 10.347 6.303 1.00 0.00 N ATOM 1500 CA ARG A 96 -12.472 11.559 6.641 1.00 0.00 C ATOM 1501 C ARG A 96 -11.711 12.091 5.433 1.00 0.00 C ATOM 1502 O ARG A 96 -11.522 13.300 5.288 1.00 0.00 O ATOM 1503 CB ARG A 96 -11.500 11.286 7.790 1.00 0.00 C ATOM 1504 CG ARG A 96 -12.172 10.740 9.039 1.00 0.00 C ATOM 1505 CD ARG A 96 -12.855 11.842 9.831 1.00 0.00 C ATOM 1506 NE ARG A 96 -11.892 12.729 10.478 1.00 0.00 N ATOM 1507 CZ ARG A 96 -12.198 13.558 11.473 1.00 0.00 C ATOM 1508 NH1 ARG A 96 -13.440 13.615 11.939 1.00 0.00 N ATOM 1509 NH2 ARG A 96 -11.261 14.330 12.006 1.00 0.00 N ATOM 0 H ARG A 96 -12.713 9.481 6.516 1.00 0.00 H new ATOM 0 HA ARG A 96 -13.193 12.315 6.954 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.744 10.576 7.454 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -10.980 12.210 8.042 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -12.906 9.984 8.758 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.430 10.246 9.666 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -13.494 12.424 9.166 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -13.503 11.397 10.587 1.00 0.00 H new ATOM 0 HE ARG A 96 -10.927 12.712 10.147 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -14.164 13.022 11.534 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -13.670 14.252 12.702 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -10.305 14.289 11.653 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -11.496 14.965 12.769 1.00 0.00 H new ATOM 1523 N LYS A 97 -11.275 11.183 4.567 1.00 0.00 N ATOM 1524 CA LYS A 97 -10.531 11.564 3.370 1.00 0.00 C ATOM 1525 C LYS A 97 -11.477 12.004 2.257 1.00 0.00 C ATOM 1526 O LYS A 97 -11.133 12.859 1.440 1.00 0.00 O ATOM 1527 CB LYS A 97 -9.667 10.396 2.889 1.00 0.00 C ATOM 1528 CG LYS A 97 -8.665 9.914 3.926 1.00 0.00 C ATOM 1529 CD LYS A 97 -7.548 10.924 4.132 1.00 0.00 C ATOM 1530 CE LYS A 97 -6.903 10.770 5.500 1.00 0.00 C ATOM 1531 NZ LYS A 97 -6.253 9.440 5.661 1.00 0.00 N ATOM 0 H LYS A 97 -11.423 10.179 4.670 1.00 0.00 H new ATOM 0 HA LYS A 97 -9.886 12.404 3.626 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -10.316 9.566 2.609 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.130 10.698 1.990 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -9.176 9.737 4.872 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -8.241 8.961 3.609 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -6.793 10.796 3.356 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -7.945 11.934 4.027 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -6.161 11.556 5.642 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -7.659 10.901 6.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.300 9.565 6.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -6.822 8.851 6.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -6.182 8.974 4.734 1.00 0.00 H new ATOM 1545 N LEU A 98 -12.668 11.415 2.229 1.00 0.00 N ATOM 1546 CA LEU A 98 -13.660 11.749 1.215 1.00 0.00 C ATOM 1547 C LEU A 98 -14.452 12.990 1.614 1.00 0.00 C ATOM 1548 O LEU A 98 -14.650 13.257 2.800 1.00 0.00 O ATOM 1549 CB LEU A 98 -14.613 10.571 0.996 1.00 0.00 C ATOM 1550 CG LEU A 98 -14.051 9.435 0.138 1.00 0.00 C ATOM 1551 CD1 LEU A 98 -14.893 8.178 0.300 1.00 0.00 C ATOM 1552 CD2 LEU A 98 -13.989 9.852 -1.323 1.00 0.00 C ATOM 0 H LEU A 98 -12.969 10.705 2.896 1.00 0.00 H new ATOM 0 HA LEU A 98 -13.133 11.960 0.284 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -14.896 10.166 1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -15.525 10.943 0.528 1.00 0.00 H new ATOM 0 HG LEU A 98 -13.038 9.216 0.476 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -14.479 7.381 -0.317 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -14.887 7.868 1.345 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -15.917 8.383 -0.012 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -13.587 9.032 -1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -14.991 10.098 -1.674 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -13.344 10.725 -1.425 1.00 0.00 H new ATOM 1564 N SER A 99 -14.903 13.744 0.618 1.00 0.00 N ATOM 1565 CA SER A 99 -15.673 14.958 0.867 1.00 0.00 C ATOM 1566 C SER A 99 -16.832 15.079 -0.117 1.00 0.00 C ATOM 1567 O SER A 99 -16.629 15.118 -1.331 1.00 0.00 O ATOM 1568 CB SER A 99 -14.772 16.190 0.764 1.00 0.00 C ATOM 1569 OG SER A 99 -13.836 16.228 1.829 1.00 0.00 O ATOM 0 H SER A 99 -14.749 13.537 -0.369 1.00 0.00 H new ATOM 0 HA SER A 99 -16.081 14.898 1.876 1.00 0.00 H new ATOM 0 HB2 SER A 99 -14.243 16.179 -0.189 1.00 0.00 H new ATOM 0 HB3 SER A 99 -15.382 17.093 0.779 1.00 0.00 H new ATOM 0 HG SER A 99 -13.271 17.024 1.740 1.00 0.00 H new ATOM 1575 N GLY A 100 -18.049 15.139 0.416 1.00 0.00 N ATOM 1576 CA GLY A 100 -19.225 15.255 -0.428 1.00 0.00 C ATOM 1577 C GLY A 100 -19.980 16.553 -0.194 1.00 0.00 C ATOM 1578 O GLY A 100 -19.368 17.618 -0.112 1.00 0.00 O ATOM 0 H GLY A 100 -18.242 15.109 1.417 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -18.925 15.196 -1.474 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -19.890 14.412 -0.239 1.00 0.00 H new ATOM 1582 N PRO A 101 -21.319 16.500 -0.080 1.00 0.00 N ATOM 1583 CA PRO A 101 -22.138 17.696 0.149 1.00 0.00 C ATOM 1584 C PRO A 101 -21.902 18.304 1.527 1.00 0.00 C ATOM 1585 O PRO A 101 -21.093 17.801 2.308 1.00 0.00 O ATOM 1586 CB PRO A 101 -23.574 17.178 0.031 1.00 0.00 C ATOM 1587 CG PRO A 101 -23.481 15.725 0.347 1.00 0.00 C ATOM 1588 CD PRO A 101 -22.140 15.276 -0.162 1.00 0.00 C ATOM 0 HA PRO A 101 -21.901 18.491 -0.558 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -24.238 17.692 0.725 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -23.972 17.340 -0.971 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -23.569 15.552 1.420 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -24.287 15.169 -0.132 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -21.727 14.473 0.448 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -22.202 14.901 -1.184 1.00 0.00 H new ATOM 1596 N SER A 102 -22.612 19.387 1.819 1.00 0.00 N ATOM 1597 CA SER A 102 -22.480 20.064 3.104 1.00 0.00 C ATOM 1598 C SER A 102 -23.717 19.843 3.967 1.00 0.00 C ATOM 1599 O SER A 102 -24.814 20.284 3.623 1.00 0.00 O ATOM 1600 CB SER A 102 -22.252 21.563 2.894 1.00 0.00 C ATOM 1601 OG SER A 102 -21.664 22.156 4.038 1.00 0.00 O ATOM 0 H SER A 102 -23.285 19.816 1.184 1.00 0.00 H new ATOM 0 HA SER A 102 -21.619 19.641 3.621 1.00 0.00 H new ATOM 0 HB2 SER A 102 -21.607 21.718 2.029 1.00 0.00 H new ATOM 0 HB3 SER A 102 -23.202 22.051 2.675 1.00 0.00 H new ATOM 0 HG SER A 102 -21.528 23.113 3.877 1.00 0.00 H new ATOM 1607 N SER A 103 -23.535 19.156 5.090 1.00 0.00 N ATOM 1608 CA SER A 103 -24.637 18.876 6.003 1.00 0.00 C ATOM 1609 C SER A 103 -24.406 19.542 7.356 1.00 0.00 C ATOM 1610 O SER A 103 -25.312 20.154 7.921 1.00 0.00 O ATOM 1611 CB SER A 103 -24.802 17.366 6.188 1.00 0.00 C ATOM 1612 OG SER A 103 -25.694 17.077 7.252 1.00 0.00 O ATOM 0 H SER A 103 -22.634 18.783 5.390 1.00 0.00 H new ATOM 0 HA SER A 103 -25.549 19.285 5.568 1.00 0.00 H new ATOM 0 HB2 SER A 103 -25.176 16.922 5.265 1.00 0.00 H new ATOM 0 HB3 SER A 103 -23.831 16.913 6.390 1.00 0.00 H new ATOM 0 HG SER A 103 -25.784 16.106 7.349 1.00 0.00 H new ATOM 1618 N GLY A 104 -23.185 19.421 7.869 1.00 0.00 N ATOM 1619 CA GLY A 104 -22.857 20.016 9.151 1.00 0.00 C ATOM 1620 C GLY A 104 -22.702 18.982 10.248 1.00 0.00 C ATOM 1621 O GLY A 104 -23.497 19.014 11.211 1.00 0.00 O ATOM 1622 OXT GLY A 104 -21.786 18.139 10.145 1.00 0.00 O ATOM 0 H GLY A 104 -22.418 18.922 7.419 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -21.931 20.584 9.058 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -23.638 20.723 9.430 1.00 0.00 H new TER 1626 GLY A 104