USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 839 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 9 GLN : amide:sc= -0.225 K(o=-0.13,f=-2.7!) USER MOD Set 1.2: A 10 HIS : no HE2:sc= 0.0957 K(o=-0.13,f=-1.4) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 91:sc= 0.0968 USER MOD Single : A 6 LYS NZ :NH3+ 147:sc= 0.796 (180deg=0.234) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 76:sc= 1.33 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0.0106 USER MOD Single : A 26 ASN : amide:sc= -0.0486 X(o=-0.049,f=-0.18) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -5.96 K(o=-6,f=-7.4!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HE2:sc= -0.208 K(o=-0.21,f=-1.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0335 USER MOD Single : A 60 GLN : amide:sc= -0.0131 X(o=-0.013,f=-0.4) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 130:sc= 1.13 USER MOD Single : A 67 LYS NZ :NH3+ 164:sc= 0.186 (180deg=0.115) USER MOD Single : A 69 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0356) USER MOD Single : A 71 ASN : amide:sc= -0.0824 K(o=-0.082,f=-2.6) USER MOD Single : A 72 SER OG : rot 150:sc= -1.35 USER MOD Single : A 74 HIS : no HD1:sc= -1.19 X(o=-1.2,f=-0.77) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot -79:sc= 0.176 USER MOD Single : A 93 GLN : amide:sc= -0.297 X(o=-0.3,f=-0.048) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 95 SER OG : rot -27:sc= 1.09 USER MOD Single : A 96 SER OG : rot -100:sc= -1.78 USER MOD Single : A 101 LYS NZ :NH3+ 153:sc= -1.54! (180deg=-2.29!) USER MOD Single : A 104 HIS : no HD1:sc= -0.204 K(o=-0.2,f=-1.2) USER MOD Single : A 106 ASN : amide:sc= -0.489 K(o=-0.49,f=-1.5!) USER MOD Single : A 108 SER OG : rot 42:sc= 0.599 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -30.957 18.075 -5.766 1.00 0.00 N ATOM 2 CA GLU A 1 -29.962 16.966 -5.825 1.00 0.00 C ATOM 3 C GLU A 1 -30.700 15.632 -5.834 1.00 0.00 C ATOM 4 O GLU A 1 -31.245 15.201 -4.819 1.00 0.00 O ATOM 5 CB GLU A 1 -29.013 17.003 -4.625 1.00 0.00 C ATOM 6 CG GLU A 1 -27.917 18.042 -4.871 1.00 0.00 C ATOM 7 CD GLU A 1 -26.986 17.548 -5.973 1.00 0.00 C ATOM 8 OE1 GLU A 1 -26.573 16.402 -5.903 1.00 0.00 O ATOM 9 OE2 GLU A 1 -26.699 18.323 -6.871 1.00 0.00 O ATOM 0 H1 GLU A 1 -30.459 18.988 -5.760 1.00 0.00 H new ATOM 0 H2 GLU A 1 -31.581 18.026 -6.597 1.00 0.00 H new ATOM 0 H3 GLU A 1 -31.526 17.985 -4.900 1.00 0.00 H new ATOM 0 HA GLU A 1 -29.372 17.085 -6.734 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -29.566 17.250 -3.719 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -28.568 16.020 -4.469 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -28.362 18.995 -5.156 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -27.353 18.215 -3.954 1.00 0.00 H new ATOM 18 N THR A 2 -30.711 14.984 -6.996 1.00 0.00 N ATOM 19 CA THR A 2 -31.386 13.696 -7.132 1.00 0.00 C ATOM 20 C THR A 2 -30.704 12.634 -6.261 1.00 0.00 C ATOM 21 O THR A 2 -31.369 11.945 -5.488 1.00 0.00 O ATOM 22 CB THR A 2 -31.379 13.229 -8.596 1.00 0.00 C ATOM 23 OG1 THR A 2 -31.171 14.344 -9.451 1.00 0.00 O ATOM 24 CG2 THR A 2 -32.720 12.572 -8.933 1.00 0.00 C ATOM 0 H THR A 2 -30.266 15.324 -7.848 1.00 0.00 H new ATOM 0 HA THR A 2 -32.417 13.826 -6.802 1.00 0.00 H new ATOM 0 HB THR A 2 -30.575 12.507 -8.739 1.00 0.00 H new ATOM 0 HG1 THR A 2 -30.211 14.458 -9.612 1.00 0.00 H new ATOM 0 HG21 THR A 2 -32.713 12.242 -9.972 1.00 0.00 H new ATOM 0 HG22 THR A 2 -32.879 11.714 -8.280 1.00 0.00 H new ATOM 0 HG23 THR A 2 -33.525 13.292 -8.787 1.00 0.00 H new ATOM 32 N PRO A 3 -29.376 12.484 -6.374 1.00 0.00 N ATOM 33 CA PRO A 3 -28.636 11.492 -5.583 1.00 0.00 C ATOM 34 C PRO A 3 -28.436 11.933 -4.134 1.00 0.00 C ATOM 35 O PRO A 3 -28.292 11.105 -3.235 1.00 0.00 O ATOM 36 CB PRO A 3 -27.291 11.382 -6.294 1.00 0.00 C ATOM 37 CG PRO A 3 -27.108 12.680 -7.003 1.00 0.00 C ATOM 38 CD PRO A 3 -28.477 13.249 -7.262 1.00 0.00 C ATOM 0 HA PRO A 3 -29.175 10.547 -5.523 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -26.484 11.206 -5.582 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -27.285 10.548 -6.995 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -26.515 13.367 -6.399 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -26.570 12.533 -7.940 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -28.512 14.315 -7.037 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -28.762 13.134 -8.308 1.00 0.00 H new ATOM 46 N ARG A 4 -28.432 13.247 -3.918 1.00 0.00 N ATOM 47 CA ARG A 4 -28.249 13.794 -2.574 1.00 0.00 C ATOM 48 C ARG A 4 -26.877 13.411 -2.027 1.00 0.00 C ATOM 49 O ARG A 4 -26.332 12.360 -2.359 1.00 0.00 O ATOM 50 CB ARG A 4 -29.330 13.272 -1.624 1.00 0.00 C ATOM 51 CG ARG A 4 -29.638 14.334 -0.565 1.00 0.00 C ATOM 52 CD ARG A 4 -28.814 14.060 0.693 1.00 0.00 C ATOM 53 NE ARG A 4 -29.559 14.441 1.890 1.00 0.00 N ATOM 54 CZ ARG A 4 -29.207 13.984 3.089 1.00 0.00 C ATOM 55 NH1 ARG A 4 -28.107 14.404 3.650 1.00 0.00 N ATOM 56 NH2 ARG A 4 -29.964 13.117 3.704 1.00 0.00 N ATOM 0 H ARG A 4 -28.552 13.948 -4.649 1.00 0.00 H new ATOM 0 HA ARG A 4 -28.325 14.879 -2.642 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -30.233 13.029 -2.183 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -28.994 12.352 -1.145 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -29.408 15.326 -0.953 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -30.701 14.324 -0.325 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -28.555 13.002 0.741 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -27.878 14.616 0.649 1.00 0.00 H new ATOM 0 HE ARG A 4 -30.360 15.066 1.806 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -27.516 15.083 3.170 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -27.837 14.054 4.569 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -30.825 12.790 3.266 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -29.695 12.766 4.623 1.00 0.00 H new ATOM 70 N GLU A 5 -26.325 14.285 -1.182 1.00 0.00 N ATOM 71 CA GLU A 5 -25.007 14.046 -0.582 1.00 0.00 C ATOM 72 C GLU A 5 -23.912 14.166 -1.639 1.00 0.00 C ATOM 73 O GLU A 5 -23.088 15.079 -1.596 1.00 0.00 O ATOM 74 CB GLU A 5 -24.932 12.656 0.062 1.00 0.00 C ATOM 75 CG GLU A 5 -23.981 12.697 1.260 1.00 0.00 C ATOM 76 CD GLU A 5 -22.539 12.714 0.764 1.00 0.00 C ATOM 77 OE1 GLU A 5 -22.174 11.806 0.035 1.00 0.00 O ATOM 78 OE2 GLU A 5 -21.820 13.632 1.123 1.00 0.00 O ATOM 0 H GLU A 5 -26.766 15.160 -0.898 1.00 0.00 H new ATOM 0 HA GLU A 5 -24.857 14.800 0.191 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -25.924 12.339 0.383 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -24.584 11.924 -0.667 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -24.179 13.582 1.865 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -24.147 11.830 1.899 1.00 0.00 H new ATOM 85 N LYS A 6 -23.918 13.236 -2.590 1.00 0.00 N ATOM 86 CA LYS A 6 -22.925 13.241 -3.664 1.00 0.00 C ATOM 87 C LYS A 6 -21.522 13.036 -3.100 1.00 0.00 C ATOM 88 O LYS A 6 -21.189 13.530 -2.023 1.00 0.00 O ATOM 89 CB LYS A 6 -22.966 14.563 -4.435 1.00 0.00 C ATOM 90 CG LYS A 6 -22.162 14.426 -5.730 1.00 0.00 C ATOM 91 CD LYS A 6 -21.704 15.809 -6.196 1.00 0.00 C ATOM 92 CE LYS A 6 -20.305 16.096 -5.648 1.00 0.00 C ATOM 93 NZ LYS A 6 -19.247 15.663 -6.605 1.00 0.00 N ATOM 0 H LYS A 6 -24.594 12.474 -2.641 1.00 0.00 H new ATOM 0 HA LYS A 6 -23.166 12.422 -4.341 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -23.998 14.832 -4.662 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -22.555 15.366 -3.823 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -21.298 13.781 -5.568 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -22.772 13.954 -6.501 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -21.695 15.853 -7.285 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -22.404 16.570 -5.852 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -20.203 17.163 -5.448 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -20.172 15.579 -4.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -18.431 16.304 -6.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -18.947 14.694 -6.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -19.624 15.689 -7.574 1.00 0.00 H new ATOM 107 N LEU A 7 -20.704 12.300 -3.845 1.00 0.00 N ATOM 108 CA LEU A 7 -19.333 12.030 -3.422 1.00 0.00 C ATOM 109 C LEU A 7 -18.355 12.430 -4.523 1.00 0.00 C ATOM 110 O LEU A 7 -18.747 12.997 -5.542 1.00 0.00 O ATOM 111 CB LEU A 7 -19.157 10.543 -3.106 1.00 0.00 C ATOM 112 CG LEU A 7 -20.091 9.986 -2.028 1.00 0.00 C ATOM 113 CD1 LEU A 7 -21.404 9.539 -2.671 1.00 0.00 C ATOM 114 CD2 LEU A 7 -19.424 8.789 -1.346 1.00 0.00 C ATOM 0 H LEU A 7 -20.963 11.882 -4.739 1.00 0.00 H new ATOM 0 HA LEU A 7 -19.129 12.615 -2.525 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -19.308 9.974 -4.023 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -18.127 10.375 -2.792 1.00 0.00 H new ATOM 0 HG LEU A 7 -20.295 10.760 -1.288 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -22.069 9.143 -1.903 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -21.879 10.391 -3.158 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -21.202 8.765 -3.411 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -20.088 8.391 -0.578 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -19.221 8.015 -2.086 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -18.488 9.107 -0.887 1.00 0.00 H new ATOM 126 N LYS A 8 -17.074 12.130 -4.308 1.00 0.00 N ATOM 127 CA LYS A 8 -16.044 12.466 -5.293 1.00 0.00 C ATOM 128 C LYS A 8 -16.364 11.832 -6.645 1.00 0.00 C ATOM 129 O LYS A 8 -17.232 10.966 -6.751 1.00 0.00 O ATOM 130 CB LYS A 8 -14.674 11.971 -4.822 1.00 0.00 C ATOM 131 CG LYS A 8 -13.992 13.064 -3.998 1.00 0.00 C ATOM 132 CD LYS A 8 -12.888 12.444 -3.140 1.00 0.00 C ATOM 133 CE LYS A 8 -13.442 12.108 -1.755 1.00 0.00 C ATOM 134 NZ LYS A 8 -13.248 13.238 -0.802 1.00 0.00 N ATOM 0 H LYS A 8 -16.727 11.661 -3.472 1.00 0.00 H new ATOM 0 HA LYS A 8 -16.024 13.551 -5.400 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.788 11.067 -4.223 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -14.056 11.709 -5.680 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -13.571 13.822 -4.658 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -14.723 13.564 -3.363 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.505 11.542 -3.618 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -12.051 13.137 -3.050 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -14.504 11.874 -1.833 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -12.947 11.216 -1.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -13.634 12.978 0.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -12.233 13.444 -0.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -13.741 14.081 -1.158 1.00 0.00 H new ATOM 148 N GLN A 9 -15.656 12.280 -7.678 1.00 0.00 N ATOM 149 CA GLN A 9 -15.875 11.753 -9.023 1.00 0.00 C ATOM 150 C GLN A 9 -14.762 10.783 -9.409 1.00 0.00 C ATOM 151 O GLN A 9 -14.983 9.830 -10.156 1.00 0.00 O ATOM 152 CB GLN A 9 -15.916 12.893 -10.043 1.00 0.00 C ATOM 153 CG GLN A 9 -16.857 12.519 -11.190 1.00 0.00 C ATOM 154 CD GLN A 9 -16.076 11.776 -12.268 1.00 0.00 C ATOM 155 OE1 GLN A 9 -14.863 11.946 -12.393 1.00 0.00 O ATOM 156 NE2 GLN A 9 -16.704 10.953 -13.063 1.00 0.00 N ATOM 0 H GLN A 9 -14.934 12.998 -7.613 1.00 0.00 H new ATOM 0 HA GLN A 9 -16.830 11.227 -9.024 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -16.256 13.811 -9.564 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -14.915 13.086 -10.428 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -17.669 11.894 -10.819 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -17.311 13.417 -11.609 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -17.709 10.812 -12.960 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -16.190 10.451 -13.787 1.00 0.00 H new ATOM 165 N HIS A 10 -13.563 11.039 -8.894 1.00 0.00 N ATOM 166 CA HIS A 10 -12.419 10.182 -9.196 1.00 0.00 C ATOM 167 C HIS A 10 -12.260 9.106 -8.128 1.00 0.00 C ATOM 168 O HIS A 10 -12.191 9.398 -6.934 1.00 0.00 O ATOM 169 CB HIS A 10 -11.134 11.011 -9.265 1.00 0.00 C ATOM 170 CG HIS A 10 -10.934 11.511 -10.669 1.00 0.00 C ATOM 171 ND1 HIS A 10 -11.996 11.874 -11.483 1.00 0.00 N ATOM 172 CD2 HIS A 10 -9.801 11.714 -11.418 1.00 0.00 C ATOM 173 CE1 HIS A 10 -11.484 12.272 -12.663 1.00 0.00 C ATOM 174 NE2 HIS A 10 -10.151 12.194 -12.677 1.00 0.00 N ATOM 0 H HIS A 10 -13.358 11.822 -8.273 1.00 0.00 H new ATOM 0 HA HIS A 10 -12.599 9.709 -10.161 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -11.193 11.851 -8.573 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -10.281 10.405 -8.958 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -12.985 11.845 -11.234 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -8.792 11.529 -11.081 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -12.079 12.613 -13.497 1.00 0.00 H new ATOM 182 N SER A 11 -12.199 7.852 -8.574 1.00 0.00 N ATOM 183 CA SER A 11 -12.045 6.728 -7.654 1.00 0.00 C ATOM 184 C SER A 11 -13.207 6.670 -6.666 1.00 0.00 C ATOM 185 O SER A 11 -13.047 6.220 -5.533 1.00 0.00 O ATOM 186 CB SER A 11 -10.737 6.852 -6.873 1.00 0.00 C ATOM 187 OG SER A 11 -9.731 7.391 -7.723 1.00 0.00 O ATOM 0 H SER A 11 -12.253 7.591 -9.558 1.00 0.00 H new ATOM 0 HA SER A 11 -12.033 5.814 -8.248 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.878 7.495 -6.004 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.429 5.875 -6.500 1.00 0.00 H new ATOM 0 HG SER A 11 -8.891 7.473 -7.225 1.00 0.00 H new ATOM 193 N ASP A 12 -14.376 7.139 -7.109 1.00 0.00 N ATOM 194 CA ASP A 12 -15.572 7.143 -6.261 1.00 0.00 C ATOM 195 C ASP A 12 -16.003 5.717 -5.903 1.00 0.00 C ATOM 196 O ASP A 12 -16.984 5.196 -6.438 1.00 0.00 O ATOM 197 CB ASP A 12 -16.726 7.853 -6.976 1.00 0.00 C ATOM 198 CG ASP A 12 -16.975 7.189 -8.326 1.00 0.00 C ATOM 199 OD1 ASP A 12 -16.224 7.466 -9.248 1.00 0.00 O ATOM 200 OD2 ASP A 12 -17.913 6.416 -8.420 1.00 0.00 O ATOM 0 H ASP A 12 -14.520 7.519 -8.044 1.00 0.00 H new ATOM 0 HA ASP A 12 -15.324 7.675 -5.342 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -17.628 7.809 -6.365 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -16.487 8.907 -7.116 1.00 0.00 H new ATOM 205 N ALA A 13 -15.259 5.088 -4.992 1.00 0.00 N ATOM 206 CA ALA A 13 -15.562 3.719 -4.555 1.00 0.00 C ATOM 207 C ALA A 13 -14.385 3.147 -3.773 1.00 0.00 C ATOM 208 O ALA A 13 -14.561 2.464 -2.765 1.00 0.00 O ATOM 209 CB ALA A 13 -15.845 2.795 -5.749 1.00 0.00 C ATOM 0 H ALA A 13 -14.443 5.502 -4.541 1.00 0.00 H new ATOM 0 HA ALA A 13 -16.451 3.769 -3.926 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -16.065 1.791 -5.388 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -16.700 3.175 -6.308 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -14.971 2.763 -6.400 1.00 0.00 H new ATOM 215 N CYS A 14 -13.180 3.435 -4.258 1.00 0.00 N ATOM 216 CA CYS A 14 -11.967 2.947 -3.606 1.00 0.00 C ATOM 217 C CYS A 14 -11.637 3.756 -2.348 1.00 0.00 C ATOM 218 O CYS A 14 -10.783 3.361 -1.557 1.00 0.00 O ATOM 219 CB CYS A 14 -10.784 3.020 -4.573 1.00 0.00 C ATOM 220 SG CYS A 14 -10.649 1.457 -5.479 1.00 0.00 S ATOM 0 H CYS A 14 -13.017 3.999 -5.092 1.00 0.00 H new ATOM 0 HA CYS A 14 -12.147 1.913 -3.314 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -10.921 3.846 -5.270 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.863 3.215 -4.024 1.00 0.00 H new ATOM 225 N LYS A 15 -12.315 4.890 -2.162 1.00 0.00 N ATOM 226 CA LYS A 15 -12.065 5.722 -0.989 1.00 0.00 C ATOM 227 C LYS A 15 -12.720 5.110 0.246 1.00 0.00 C ATOM 228 O LYS A 15 -12.228 5.257 1.365 1.00 0.00 O ATOM 229 CB LYS A 15 -12.620 7.132 -1.202 1.00 0.00 C ATOM 230 CG LYS A 15 -11.964 7.759 -2.435 1.00 0.00 C ATOM 231 CD LYS A 15 -10.757 8.594 -2.002 1.00 0.00 C ATOM 232 CE LYS A 15 -9.723 8.619 -3.129 1.00 0.00 C ATOM 233 NZ LYS A 15 -8.885 9.850 -3.072 1.00 0.00 N ATOM 0 H LYS A 15 -13.029 5.247 -2.797 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.987 5.778 -0.840 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.701 7.093 -1.333 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.428 7.747 -0.323 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -11.650 6.979 -3.129 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.683 8.386 -2.963 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -11.072 9.609 -1.760 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -10.316 8.173 -1.098 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.084 7.739 -3.058 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.231 8.567 -4.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.194 9.836 -3.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.493 10.689 -3.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.382 9.886 -2.163 1.00 0.00 H new ATOM 247 N ALA A 16 -13.840 4.422 0.030 1.00 0.00 N ATOM 248 CA ALA A 16 -14.562 3.787 1.131 1.00 0.00 C ATOM 249 C ALA A 16 -13.672 2.774 1.850 1.00 0.00 C ATOM 250 O ALA A 16 -13.583 2.766 3.077 1.00 0.00 O ATOM 251 CB ALA A 16 -15.809 3.070 0.608 1.00 0.00 C ATOM 0 H ALA A 16 -14.264 4.291 -0.888 1.00 0.00 H new ATOM 0 HA ALA A 16 -14.855 4.569 1.831 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -16.336 2.602 1.440 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.466 3.791 0.122 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -15.514 2.305 -0.111 1.00 0.00 H new ATOM 257 N GLU A 17 -13.017 1.918 1.069 1.00 0.00 N ATOM 258 CA GLU A 17 -12.137 0.900 1.641 1.00 0.00 C ATOM 259 C GLU A 17 -10.769 1.491 1.968 1.00 0.00 C ATOM 260 O GLU A 17 -10.380 1.584 3.132 1.00 0.00 O ATOM 261 CB GLU A 17 -11.956 -0.266 0.663 1.00 0.00 C ATOM 262 CG GLU A 17 -11.160 -1.389 1.338 1.00 0.00 C ATOM 263 CD GLU A 17 -11.183 -2.632 0.455 1.00 0.00 C ATOM 264 OE1 GLU A 17 -11.106 -2.478 -0.753 1.00 0.00 O ATOM 265 OE2 GLU A 17 -11.276 -3.720 0.998 1.00 0.00 O ATOM 0 H GLU A 17 -13.077 1.907 0.051 1.00 0.00 H new ATOM 0 HA GLU A 17 -12.601 0.537 2.558 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.929 -0.639 0.343 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.435 0.075 -0.232 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.132 -1.069 1.507 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.588 -1.616 2.315 1.00 0.00 H new ATOM 272 N SER A 18 -10.040 1.879 0.926 1.00 0.00 N ATOM 273 CA SER A 18 -8.710 2.448 1.118 1.00 0.00 C ATOM 274 C SER A 18 -8.807 3.882 1.646 1.00 0.00 C ATOM 275 O SER A 18 -8.685 4.118 2.848 1.00 0.00 O ATOM 276 CB SER A 18 -7.901 2.424 -0.191 1.00 0.00 C ATOM 277 OG SER A 18 -8.731 1.991 -1.263 1.00 0.00 O ATOM 0 H SER A 18 -10.341 1.812 -0.046 1.00 0.00 H new ATOM 0 HA SER A 18 -8.191 1.834 1.854 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.506 3.417 -0.403 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.046 1.756 -0.088 1.00 0.00 H new ATOM 0 HG SER A 18 -9.328 2.721 -1.530 1.00 0.00 H new ATOM 283 N GLY A 19 -9.018 4.842 0.740 1.00 0.00 N ATOM 284 CA GLY A 19 -9.117 6.251 1.139 1.00 0.00 C ATOM 285 C GLY A 19 -7.931 6.664 2.015 1.00 0.00 C ATOM 286 O GLY A 19 -8.034 7.575 2.837 1.00 0.00 O ATOM 0 H GLY A 19 -9.122 4.674 -0.261 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.153 6.881 0.251 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.048 6.413 1.683 1.00 0.00 H new ATOM 290 N VAL A 20 -6.804 5.972 1.833 1.00 0.00 N ATOM 291 CA VAL A 20 -5.599 6.257 2.611 1.00 0.00 C ATOM 292 C VAL A 20 -5.180 7.721 2.451 1.00 0.00 C ATOM 293 O VAL A 20 -5.128 8.252 1.342 1.00 0.00 O ATOM 294 CB VAL A 20 -4.457 5.328 2.166 1.00 0.00 C ATOM 295 CG1 VAL A 20 -4.110 5.589 0.696 1.00 0.00 C ATOM 296 CG2 VAL A 20 -3.217 5.573 3.035 1.00 0.00 C ATOM 0 H VAL A 20 -6.702 5.215 1.157 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.818 6.078 3.664 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.781 4.293 2.280 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.300 4.926 0.390 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.987 5.401 0.076 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.796 6.626 0.575 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.412 4.912 2.715 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.898 6.610 2.930 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.458 5.371 4.079 1.00 0.00 H new ATOM 306 N SER A 21 -4.881 8.361 3.579 1.00 0.00 N ATOM 307 CA SER A 21 -4.464 9.760 3.564 1.00 0.00 C ATOM 308 C SER A 21 -2.952 9.856 3.375 1.00 0.00 C ATOM 309 O SER A 21 -2.289 8.869 3.055 1.00 0.00 O ATOM 310 CB SER A 21 -4.854 10.447 4.874 1.00 0.00 C ATOM 311 OG SER A 21 -4.013 9.975 5.920 1.00 0.00 O ATOM 0 H SER A 21 -4.919 7.938 4.506 1.00 0.00 H new ATOM 0 HA SER A 21 -4.966 10.258 2.735 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.758 11.528 4.774 1.00 0.00 H new ATOM 0 HB3 SER A 21 -5.898 10.240 5.110 1.00 0.00 H new ATOM 0 HG SER A 21 -4.259 10.414 6.761 1.00 0.00 H new ATOM 317 N GLU A 22 -2.411 11.056 3.575 1.00 0.00 N ATOM 318 CA GLU A 22 -0.974 11.267 3.423 1.00 0.00 C ATOM 319 C GLU A 22 -0.235 10.856 4.697 1.00 0.00 C ATOM 320 O GLU A 22 0.442 11.663 5.338 1.00 0.00 O ATOM 321 CB GLU A 22 -0.681 12.740 3.118 1.00 0.00 C ATOM 322 CG GLU A 22 -1.092 13.056 1.679 1.00 0.00 C ATOM 323 CD GLU A 22 -1.073 14.566 1.465 1.00 0.00 C ATOM 324 OE1 GLU A 22 -1.985 15.223 1.941 1.00 0.00 O ATOM 325 OE2 GLU A 22 -0.148 15.044 0.828 1.00 0.00 O ATOM 0 H GLU A 22 -2.939 11.888 3.840 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.626 10.651 2.593 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.225 13.381 3.812 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.380 12.947 3.258 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.411 12.570 0.980 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.089 12.662 1.479 1.00 0.00 H new ATOM 332 N GLU A 23 -0.369 9.581 5.056 1.00 0.00 N ATOM 333 CA GLU A 23 0.291 9.062 6.251 1.00 0.00 C ATOM 334 C GLU A 23 1.187 7.885 5.882 1.00 0.00 C ATOM 335 O GLU A 23 2.411 7.969 5.963 1.00 0.00 O ATOM 336 CB GLU A 23 -0.744 8.605 7.283 1.00 0.00 C ATOM 337 CG GLU A 23 -0.210 8.867 8.693 1.00 0.00 C ATOM 338 CD GLU A 23 -0.199 10.368 8.962 1.00 0.00 C ATOM 339 OE1 GLU A 23 -1.236 10.890 9.339 1.00 0.00 O ATOM 340 OE2 GLU A 23 0.845 10.974 8.787 1.00 0.00 O ATOM 0 H GLU A 23 -0.922 8.895 4.543 1.00 0.00 H new ATOM 0 HA GLU A 23 0.894 9.861 6.683 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.683 9.139 7.133 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.957 7.544 7.155 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.833 8.359 9.429 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.797 8.461 8.793 1.00 0.00 H new ATOM 347 N SER A 24 0.561 6.788 5.463 1.00 0.00 N ATOM 348 CA SER A 24 1.312 5.600 5.071 1.00 0.00 C ATOM 349 C SER A 24 2.026 5.850 3.748 1.00 0.00 C ATOM 350 O SER A 24 3.133 5.362 3.519 1.00 0.00 O ATOM 351 CB SER A 24 0.377 4.400 4.916 1.00 0.00 C ATOM 352 OG SER A 24 -0.670 4.493 5.872 1.00 0.00 O ATOM 0 H SER A 24 -0.452 6.697 5.387 1.00 0.00 H new ATOM 0 HA SER A 24 2.043 5.385 5.850 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.037 4.375 3.908 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.931 3.472 5.056 1.00 0.00 H new ATOM 0 HG SER A 24 -1.272 3.726 5.774 1.00 0.00 H new ATOM 358 N LEU A 25 1.375 6.622 2.882 1.00 0.00 N ATOM 359 CA LEU A 25 1.946 6.945 1.578 1.00 0.00 C ATOM 360 C LEU A 25 3.260 7.702 1.744 1.00 0.00 C ATOM 361 O LEU A 25 4.196 7.530 0.963 1.00 0.00 O ATOM 362 CB LEU A 25 0.971 7.801 0.768 1.00 0.00 C ATOM 363 CG LEU A 25 -0.085 7.022 -0.021 1.00 0.00 C ATOM 364 CD1 LEU A 25 -1.289 7.924 -0.298 1.00 0.00 C ATOM 365 CD2 LEU A 25 0.515 6.554 -1.350 1.00 0.00 C ATOM 0 H LEU A 25 0.458 7.033 3.058 1.00 0.00 H new ATOM 0 HA LEU A 25 2.133 6.011 1.049 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.462 8.484 1.448 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.543 8.413 0.071 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.406 6.158 0.561 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.039 7.367 -0.860 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.718 8.259 0.647 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.969 8.789 -0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.236 5.999 -1.913 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.836 7.420 -1.929 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.372 5.909 -1.155 1.00 0.00 H new ATOM 377 N ASN A 26 3.319 8.543 2.773 1.00 0.00 N ATOM 378 CA ASN A 26 4.524 9.324 3.038 1.00 0.00 C ATOM 379 C ASN A 26 5.633 8.422 3.567 1.00 0.00 C ATOM 380 O ASN A 26 6.807 8.598 3.242 1.00 0.00 O ATOM 381 CB ASN A 26 4.238 10.418 4.069 1.00 0.00 C ATOM 382 CG ASN A 26 5.186 11.591 3.842 1.00 0.00 C ATOM 383 OD1 ASN A 26 5.253 12.139 2.742 1.00 0.00 O ATOM 384 ND2 ASN A 26 5.928 12.015 4.828 1.00 0.00 N ATOM 0 H ASN A 26 2.555 8.700 3.431 1.00 0.00 H new ATOM 0 HA ASN A 26 4.841 9.783 2.102 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.204 10.751 3.984 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.365 10.024 5.077 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.563 12.800 4.687 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.873 11.561 5.740 1.00 0.00 H new ATOM 391 N LYS A 27 5.245 7.448 4.387 1.00 0.00 N ATOM 392 CA LYS A 27 6.211 6.513 4.961 1.00 0.00 C ATOM 393 C LYS A 27 6.949 5.746 3.863 1.00 0.00 C ATOM 394 O LYS A 27 8.047 5.236 4.079 1.00 0.00 O ATOM 395 CB LYS A 27 5.507 5.513 5.878 1.00 0.00 C ATOM 396 CG LYS A 27 4.955 6.243 7.104 1.00 0.00 C ATOM 397 CD LYS A 27 4.082 5.287 7.918 1.00 0.00 C ATOM 398 CE LYS A 27 3.389 6.061 9.042 1.00 0.00 C ATOM 399 NZ LYS A 27 3.129 5.189 10.222 1.00 0.00 N ATOM 0 H LYS A 27 4.278 7.286 4.667 1.00 0.00 H new ATOM 0 HA LYS A 27 6.931 7.095 5.537 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.697 5.019 5.341 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.205 4.735 6.189 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.775 6.616 7.718 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.371 7.109 6.792 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.339 4.818 7.273 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.692 4.486 8.336 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.010 6.905 9.341 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.448 6.472 8.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.659 5.743 10.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.516 4.397 9.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.030 4.817 10.584 1.00 0.00 H new ATOM 413 N VAL A 28 6.342 5.667 2.679 1.00 0.00 N ATOM 414 CA VAL A 28 6.966 4.959 1.563 1.00 0.00 C ATOM 415 C VAL A 28 8.300 5.610 1.204 1.00 0.00 C ATOM 416 O VAL A 28 9.237 4.941 0.771 1.00 0.00 O ATOM 417 CB VAL A 28 6.052 4.981 0.334 1.00 0.00 C ATOM 418 CG1 VAL A 28 6.642 4.090 -0.762 1.00 0.00 C ATOM 419 CG2 VAL A 28 4.665 4.460 0.719 1.00 0.00 C ATOM 0 H VAL A 28 5.432 6.078 2.470 1.00 0.00 H new ATOM 0 HA VAL A 28 7.134 3.926 1.869 1.00 0.00 H new ATOM 0 HB VAL A 28 5.969 6.003 -0.035 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.990 4.107 -1.635 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.629 4.459 -1.039 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.727 3.068 -0.393 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.015 4.476 -0.156 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.750 3.438 1.090 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.241 5.094 1.498 1.00 0.00 H new ATOM 429 N ARG A 29 8.370 6.927 1.389 1.00 0.00 N ATOM 430 CA ARG A 29 9.589 7.672 1.083 1.00 0.00 C ATOM 431 C ARG A 29 10.774 7.132 1.880 1.00 0.00 C ATOM 432 O ARG A 29 11.863 6.937 1.340 1.00 0.00 O ATOM 433 CB ARG A 29 9.404 9.156 1.408 1.00 0.00 C ATOM 434 CG ARG A 29 8.355 9.759 0.468 1.00 0.00 C ATOM 435 CD ARG A 29 8.756 11.188 0.099 1.00 0.00 C ATOM 436 NE ARG A 29 7.728 11.816 -0.726 1.00 0.00 N ATOM 437 CZ ARG A 29 7.994 12.213 -1.968 1.00 0.00 C ATOM 438 NH1 ARG A 29 8.044 11.340 -2.936 1.00 0.00 N ATOM 439 NH2 ARG A 29 8.207 13.477 -2.216 1.00 0.00 N ATOM 0 H ARG A 29 7.603 7.496 1.747 1.00 0.00 H new ATOM 0 HA ARG A 29 9.791 7.552 0.019 1.00 0.00 H new ATOM 0 HB2 ARG A 29 9.090 9.276 2.445 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.351 9.684 1.299 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.267 9.151 -0.433 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.377 9.758 0.950 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.910 11.773 1.006 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.704 11.178 -0.438 1.00 0.00 H new ATOM 0 HE ARG A 29 6.792 11.952 -0.345 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.879 10.352 -2.741 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.248 11.645 -3.888 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.169 14.159 -1.458 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.411 13.783 -3.167 1.00 0.00 H new ATOM 453 N ASN A 30 10.557 6.897 3.173 1.00 0.00 N ATOM 454 CA ASN A 30 11.627 6.385 4.026 1.00 0.00 C ATOM 455 C ASN A 30 11.917 4.920 3.700 1.00 0.00 C ATOM 456 O ASN A 30 11.003 4.117 3.506 1.00 0.00 O ATOM 457 CB ASN A 30 11.264 6.536 5.515 1.00 0.00 C ATOM 458 CG ASN A 30 10.068 5.658 5.879 1.00 0.00 C ATOM 459 OD1 ASN A 30 10.139 4.432 5.796 1.00 0.00 O ATOM 460 ND2 ASN A 30 8.967 6.218 6.294 1.00 0.00 N ATOM 0 H ASN A 30 9.666 7.050 3.646 1.00 0.00 H new ATOM 0 HA ASN A 30 12.524 6.973 3.830 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.121 6.263 6.131 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.034 7.579 5.733 1.00 0.00 H new ATOM 0 HD21 ASN A 30 8.166 5.641 6.549 1.00 0.00 H new ATOM 0 HD22 ASN A 30 8.906 7.234 6.363 1.00 0.00 H new ATOM 467 N ARG A 31 13.202 4.585 3.634 1.00 0.00 N ATOM 468 CA ARG A 31 13.607 3.216 3.325 1.00 0.00 C ATOM 469 C ARG A 31 13.463 2.326 4.558 1.00 0.00 C ATOM 470 O ARG A 31 14.436 2.051 5.261 1.00 0.00 O ATOM 471 CB ARG A 31 15.062 3.186 2.844 1.00 0.00 C ATOM 472 CG ARG A 31 15.223 2.114 1.763 1.00 0.00 C ATOM 473 CD ARG A 31 14.981 0.732 2.371 1.00 0.00 C ATOM 474 NE ARG A 31 15.192 -0.313 1.373 1.00 0.00 N ATOM 475 CZ ARG A 31 15.315 -1.588 1.733 1.00 0.00 C ATOM 476 NH1 ARG A 31 16.361 -1.977 2.408 1.00 0.00 N ATOM 477 NH2 ARG A 31 14.389 -2.449 1.411 1.00 0.00 N ATOM 0 H ARG A 31 13.974 5.234 3.788 1.00 0.00 H new ATOM 0 HA ARG A 31 12.958 2.840 2.534 1.00 0.00 H new ATOM 0 HB2 ARG A 31 15.345 4.161 2.448 1.00 0.00 H new ATOM 0 HB3 ARG A 31 15.728 2.976 3.681 1.00 0.00 H new ATOM 0 HG2 ARG A 31 14.519 2.294 0.951 1.00 0.00 H new ATOM 0 HG3 ARG A 31 16.224 2.163 1.334 1.00 0.00 H new ATOM 0 HD2 ARG A 31 15.653 0.577 3.215 1.00 0.00 H new ATOM 0 HD3 ARG A 31 13.964 0.672 2.758 1.00 0.00 H new ATOM 0 HE ARG A 31 15.246 -0.062 0.386 1.00 0.00 H new ATOM 0 HH11 ARG A 31 17.085 -1.304 2.660 1.00 0.00 H new ATOM 0 HH12 ARG A 31 16.455 -2.954 2.684 1.00 0.00 H new ATOM 0 HH21 ARG A 31 13.571 -2.145 0.883 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.483 -3.426 1.687 1.00 0.00 H new ATOM 491 N GLU A 32 12.237 1.877 4.813 1.00 0.00 N ATOM 492 CA GLU A 32 11.979 1.017 5.965 1.00 0.00 C ATOM 493 C GLU A 32 10.851 0.030 5.660 1.00 0.00 C ATOM 494 O GLU A 32 11.099 -1.139 5.365 1.00 0.00 O ATOM 495 CB GLU A 32 11.607 1.858 7.191 1.00 0.00 C ATOM 496 CG GLU A 32 12.864 2.519 7.759 1.00 0.00 C ATOM 497 CD GLU A 32 13.783 1.451 8.341 1.00 0.00 C ATOM 498 OE1 GLU A 32 13.274 0.543 8.977 1.00 0.00 O ATOM 499 OE2 GLU A 32 14.982 1.556 8.141 1.00 0.00 O ATOM 0 H GLU A 32 11.416 2.090 4.246 1.00 0.00 H new ATOM 0 HA GLU A 32 12.890 0.459 6.178 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.877 2.619 6.915 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.141 1.228 7.949 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.382 3.072 6.976 1.00 0.00 H new ATOM 0 HG3 GLU A 32 12.592 3.239 8.531 1.00 0.00 H new ATOM 506 N GLU A 33 9.608 0.510 5.735 1.00 0.00 N ATOM 507 CA GLU A 33 8.449 -0.343 5.465 1.00 0.00 C ATOM 508 C GLU A 33 7.155 0.439 5.668 1.00 0.00 C ATOM 509 O GLU A 33 7.174 1.630 5.980 1.00 0.00 O ATOM 510 CB GLU A 33 8.443 -1.559 6.398 1.00 0.00 C ATOM 511 CG GLU A 33 8.540 -1.089 7.851 1.00 0.00 C ATOM 512 CD GLU A 33 8.283 -2.266 8.785 1.00 0.00 C ATOM 513 OE1 GLU A 33 9.226 -2.987 9.070 1.00 0.00 O ATOM 514 OE2 GLU A 33 7.149 -2.429 9.203 1.00 0.00 O ATOM 0 H GLU A 33 9.379 1.474 5.978 1.00 0.00 H new ATOM 0 HA GLU A 33 8.517 -0.680 4.431 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.531 -2.138 6.252 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.279 -2.217 6.161 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.527 -0.668 8.043 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.814 -0.298 8.038 1.00 0.00 H new ATOM 521 N VAL A 34 6.029 -0.247 5.489 1.00 0.00 N ATOM 522 CA VAL A 34 4.724 0.388 5.656 1.00 0.00 C ATOM 523 C VAL A 34 3.690 -0.636 6.116 1.00 0.00 C ATOM 524 O VAL A 34 3.180 -0.568 7.233 1.00 0.00 O ATOM 525 CB VAL A 34 4.259 1.018 4.340 1.00 0.00 C ATOM 526 CG1 VAL A 34 2.983 1.830 4.582 1.00 0.00 C ATOM 527 CG2 VAL A 34 5.353 1.943 3.803 1.00 0.00 C ATOM 0 H VAL A 34 5.993 -1.233 5.231 1.00 0.00 H new ATOM 0 HA VAL A 34 4.823 1.168 6.411 1.00 0.00 H new ATOM 0 HB VAL A 34 4.057 0.230 3.614 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.653 2.278 3.644 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.201 1.174 4.965 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.185 2.617 5.309 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.023 2.392 2.866 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.554 2.729 4.531 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.263 1.368 3.629 1.00 0.00 H new ATOM 537 N ASP A 35 3.387 -1.590 5.236 1.00 0.00 N ATOM 538 CA ASP A 35 2.411 -2.631 5.557 1.00 0.00 C ATOM 539 C ASP A 35 1.047 -2.015 5.857 1.00 0.00 C ATOM 540 O ASP A 35 0.717 -1.733 7.009 1.00 0.00 O ATOM 541 CB ASP A 35 2.869 -3.441 6.771 1.00 0.00 C ATOM 542 CG ASP A 35 4.233 -4.060 6.486 1.00 0.00 C ATOM 543 OD1 ASP A 35 4.347 -4.764 5.496 1.00 0.00 O ATOM 544 OD2 ASP A 35 5.144 -3.820 7.261 1.00 0.00 O ATOM 0 H ASP A 35 3.798 -1.664 4.305 1.00 0.00 H new ATOM 0 HA ASP A 35 2.329 -3.289 4.692 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.926 -2.798 7.649 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.143 -4.223 6.995 1.00 0.00 H new ATOM 549 N ASP A 36 0.259 -1.811 4.805 1.00 0.00 N ATOM 550 CA ASP A 36 -1.071 -1.228 4.964 1.00 0.00 C ATOM 551 C ASP A 36 -1.969 -1.623 3.785 1.00 0.00 C ATOM 552 O ASP A 36 -1.532 -1.600 2.635 1.00 0.00 O ATOM 553 CB ASP A 36 -0.979 0.298 5.035 1.00 0.00 C ATOM 554 CG ASP A 36 -2.345 0.879 5.386 1.00 0.00 C ATOM 555 OD1 ASP A 36 -2.725 0.792 6.542 1.00 0.00 O ATOM 556 OD2 ASP A 36 -2.991 1.401 4.492 1.00 0.00 O ATOM 0 H ASP A 36 0.514 -2.037 3.844 1.00 0.00 H new ATOM 0 HA ASP A 36 -1.500 -1.608 5.891 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.244 0.593 5.784 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -0.638 0.696 4.079 1.00 0.00 H new ATOM 561 N PRO A 37 -3.234 -1.990 4.051 1.00 0.00 N ATOM 562 CA PRO A 37 -4.172 -2.386 2.990 1.00 0.00 C ATOM 563 C PRO A 37 -4.633 -1.201 2.146 1.00 0.00 C ATOM 564 O PRO A 37 -4.596 -1.245 0.917 1.00 0.00 O ATOM 565 CB PRO A 37 -5.352 -2.990 3.748 1.00 0.00 C ATOM 566 CG PRO A 37 -5.307 -2.364 5.098 1.00 0.00 C ATOM 567 CD PRO A 37 -3.864 -2.056 5.382 1.00 0.00 C ATOM 0 HA PRO A 37 -3.708 -3.076 2.285 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.295 -2.775 3.245 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.265 -4.075 3.813 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.909 -1.456 5.124 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.715 -3.038 5.851 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.757 -1.114 5.919 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.407 -2.829 6.000 1.00 0.00 H new ATOM 575 N LYS A 38 -5.074 -0.141 2.822 1.00 0.00 N ATOM 576 CA LYS A 38 -5.549 1.063 2.136 1.00 0.00 C ATOM 577 C LYS A 38 -4.510 1.581 1.141 1.00 0.00 C ATOM 578 O LYS A 38 -4.851 2.079 0.067 1.00 0.00 O ATOM 579 CB LYS A 38 -5.851 2.170 3.149 1.00 0.00 C ATOM 580 CG LYS A 38 -6.856 1.664 4.187 1.00 0.00 C ATOM 581 CD LYS A 38 -7.323 2.832 5.057 1.00 0.00 C ATOM 582 CE LYS A 38 -8.789 2.628 5.446 1.00 0.00 C ATOM 583 NZ LYS A 38 -9.095 3.256 6.762 1.00 0.00 N ATOM 0 H LYS A 38 -5.113 -0.090 3.840 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.457 0.793 1.596 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.931 2.484 3.643 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.253 3.044 2.637 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.709 1.204 3.689 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.397 0.895 4.808 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.705 2.902 5.952 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.207 3.771 4.516 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.434 3.056 4.678 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.010 1.562 5.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.096 3.100 6.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.496 2.830 7.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.907 4.278 6.711 1.00 0.00 H new ATOM 597 N LEU A 39 -3.237 1.464 1.512 1.00 0.00 N ATOM 598 CA LEU A 39 -2.155 1.929 0.648 1.00 0.00 C ATOM 599 C LEU A 39 -2.088 1.095 -0.630 1.00 0.00 C ATOM 600 O LEU A 39 -2.227 1.617 -1.736 1.00 0.00 O ATOM 601 CB LEU A 39 -0.813 1.842 1.383 1.00 0.00 C ATOM 602 CG LEU A 39 0.119 3.037 1.183 1.00 0.00 C ATOM 603 CD1 LEU A 39 1.435 2.789 1.922 1.00 0.00 C ATOM 604 CD2 LEU A 39 0.402 3.220 -0.310 1.00 0.00 C ATOM 0 H LEU A 39 -2.932 1.056 2.395 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.356 2.967 0.384 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.008 1.729 2.449 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.296 0.940 1.056 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.356 3.936 1.577 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.099 3.642 1.779 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.236 2.659 2.986 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.909 1.890 1.529 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.067 4.072 -0.453 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.876 2.321 -0.703 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.534 3.398 -0.839 1.00 0.00 H new ATOM 616 N LYS A 40 -1.870 -0.207 -0.465 1.00 0.00 N ATOM 617 CA LYS A 40 -1.784 -1.105 -1.612 1.00 0.00 C ATOM 618 C LYS A 40 -3.104 -1.124 -2.375 1.00 0.00 C ATOM 619 O LYS A 40 -3.129 -1.198 -3.604 1.00 0.00 O ATOM 620 CB LYS A 40 -1.451 -2.527 -1.157 1.00 0.00 C ATOM 621 CG LYS A 40 -0.172 -2.508 -0.318 1.00 0.00 C ATOM 622 CD LYS A 40 0.432 -3.914 -0.275 1.00 0.00 C ATOM 623 CE LYS A 40 -0.450 -4.822 0.583 1.00 0.00 C ATOM 624 NZ LYS A 40 -0.002 -4.831 2.005 1.00 0.00 N ATOM 0 H LYS A 40 -1.751 -0.660 0.441 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.992 -0.739 -2.265 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.276 -2.936 -0.573 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.321 -3.176 -2.023 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.545 -1.806 -0.744 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.393 -2.164 0.693 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.514 -4.317 -1.284 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.441 -3.876 0.136 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.485 -4.484 0.528 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.425 -5.837 0.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.621 -5.456 2.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.977 -5.177 2.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.050 -3.866 2.390 1.00 0.00 H new ATOM 638 N GLU A 41 -4.202 -1.053 -1.629 1.00 0.00 N ATOM 639 CA GLU A 41 -5.528 -1.060 -2.237 1.00 0.00 C ATOM 640 C GLU A 41 -5.710 0.166 -3.125 1.00 0.00 C ATOM 641 O GLU A 41 -6.051 0.054 -4.302 1.00 0.00 O ATOM 642 CB GLU A 41 -6.610 -1.057 -1.156 1.00 0.00 C ATOM 643 CG GLU A 41 -7.976 -1.299 -1.801 1.00 0.00 C ATOM 644 CD GLU A 41 -8.181 -2.795 -2.012 1.00 0.00 C ATOM 645 OE1 GLU A 41 -7.980 -3.540 -1.068 1.00 0.00 O ATOM 646 OE2 GLU A 41 -8.536 -3.174 -3.116 1.00 0.00 O ATOM 0 H GLU A 41 -4.201 -0.990 -0.611 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.620 -1.963 -2.840 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.403 -1.831 -0.417 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.609 -0.103 -0.628 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.766 -0.899 -1.165 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.038 -0.775 -2.755 1.00 0.00 H new ATOM 653 N HIS A 42 -5.476 1.344 -2.544 1.00 0.00 N ATOM 654 CA HIS A 42 -5.612 2.604 -3.282 1.00 0.00 C ATOM 655 C HIS A 42 -4.817 2.569 -4.586 1.00 0.00 C ATOM 656 O HIS A 42 -5.338 2.882 -5.658 1.00 0.00 O ATOM 657 CB HIS A 42 -5.113 3.775 -2.431 1.00 0.00 C ATOM 658 CG HIS A 42 -5.592 5.070 -3.029 1.00 0.00 C ATOM 659 ND1 HIS A 42 -4.766 5.886 -3.784 1.00 0.00 N ATOM 660 CD2 HIS A 42 -6.810 5.702 -2.990 1.00 0.00 C ATOM 661 CE1 HIS A 42 -5.489 6.954 -4.166 1.00 0.00 C ATOM 662 NE2 HIS A 42 -6.743 6.892 -3.709 1.00 0.00 N ATOM 0 H HIS A 42 -5.193 1.453 -1.570 1.00 0.00 H new ATOM 0 HA HIS A 42 -6.669 2.736 -3.513 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -5.478 3.677 -1.409 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -4.024 3.765 -2.383 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -3.787 5.709 -4.009 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -7.687 5.332 -2.479 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -5.103 7.763 -4.769 1.00 0.00 H new ATOM 670 N ALA A 43 -3.546 2.185 -4.480 1.00 0.00 N ATOM 671 CA ALA A 43 -2.670 2.111 -5.652 1.00 0.00 C ATOM 672 C ALA A 43 -3.285 1.240 -6.748 1.00 0.00 C ATOM 673 O ALA A 43 -3.320 1.625 -7.916 1.00 0.00 O ATOM 674 CB ALA A 43 -1.309 1.530 -5.264 1.00 0.00 C ATOM 0 H ALA A 43 -3.100 1.921 -3.601 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.545 3.125 -6.032 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.670 1.481 -6.145 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.843 2.166 -4.512 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.444 0.528 -4.858 1.00 0.00 H new ATOM 680 N PHE A 44 -3.768 0.059 -6.358 1.00 0.00 N ATOM 681 CA PHE A 44 -4.379 -0.862 -7.320 1.00 0.00 C ATOM 682 C PHE A 44 -5.531 -0.182 -8.059 1.00 0.00 C ATOM 683 O PHE A 44 -5.756 -0.423 -9.244 1.00 0.00 O ATOM 684 CB PHE A 44 -4.900 -2.120 -6.611 1.00 0.00 C ATOM 685 CG PHE A 44 -5.425 -3.111 -7.632 1.00 0.00 C ATOM 686 CD1 PHE A 44 -4.653 -3.443 -8.756 1.00 0.00 C ATOM 687 CD2 PHE A 44 -6.682 -3.699 -7.450 1.00 0.00 C ATOM 688 CE1 PHE A 44 -5.141 -4.359 -9.694 1.00 0.00 C ATOM 689 CE2 PHE A 44 -7.169 -4.616 -8.389 1.00 0.00 C ATOM 690 CZ PHE A 44 -6.400 -4.945 -9.511 1.00 0.00 C ATOM 0 H PHE A 44 -3.749 -0.280 -5.396 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.613 -1.150 -8.040 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.100 -2.576 -6.027 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.692 -1.852 -5.912 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.682 -2.991 -8.897 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.276 -3.445 -6.585 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.547 -4.614 -10.559 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.139 -5.070 -8.247 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.777 -5.651 -10.236 1.00 0.00 H new ATOM 700 N CYS A 45 -6.249 0.675 -7.345 1.00 0.00 N ATOM 701 CA CYS A 45 -7.367 1.393 -7.945 1.00 0.00 C ATOM 702 C CYS A 45 -6.874 2.322 -9.055 1.00 0.00 C ATOM 703 O CYS A 45 -7.631 2.689 -9.953 1.00 0.00 O ATOM 704 CB CYS A 45 -8.099 2.216 -6.883 1.00 0.00 C ATOM 705 SG CYS A 45 -8.663 1.117 -5.564 1.00 0.00 S ATOM 0 H CYS A 45 -6.081 0.889 -6.362 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.052 0.660 -8.371 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.436 2.980 -6.477 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -8.948 2.734 -7.329 1.00 0.00 H new ATOM 710 N ILE A 46 -5.595 2.696 -8.990 1.00 0.00 N ATOM 711 CA ILE A 46 -5.017 3.578 -10.002 1.00 0.00 C ATOM 712 C ILE A 46 -4.385 2.748 -11.117 1.00 0.00 C ATOM 713 O ILE A 46 -4.451 3.109 -12.290 1.00 0.00 O ATOM 714 CB ILE A 46 -3.937 4.492 -9.396 1.00 0.00 C ATOM 715 CG1 ILE A 46 -4.353 4.981 -7.995 1.00 0.00 C ATOM 716 CG2 ILE A 46 -3.726 5.701 -10.311 1.00 0.00 C ATOM 717 CD1 ILE A 46 -5.694 5.721 -8.065 1.00 0.00 C ATOM 0 H ILE A 46 -4.948 2.406 -8.257 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.822 4.196 -10.400 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.012 3.923 -9.305 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.433 4.133 -7.315 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.586 5.642 -7.591 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.962 6.351 -9.885 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.405 5.361 -11.296 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.661 6.254 -10.405 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.975 6.060 -7.068 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.601 6.581 -8.728 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.461 5.048 -8.449 1.00 0.00 H new ATOM 729 N LEU A 47 -3.770 1.632 -10.733 1.00 0.00 N ATOM 730 CA LEU A 47 -3.124 0.751 -11.705 1.00 0.00 C ATOM 731 C LEU A 47 -4.144 0.210 -12.706 1.00 0.00 C ATOM 732 O LEU A 47 -3.969 0.327 -13.919 1.00 0.00 O ATOM 733 CB LEU A 47 -2.442 -0.426 -10.992 1.00 0.00 C ATOM 734 CG LEU A 47 -0.957 -0.233 -10.668 1.00 0.00 C ATOM 735 CD1 LEU A 47 -0.157 -0.160 -11.968 1.00 0.00 C ATOM 736 CD2 LEU A 47 -0.773 1.064 -9.878 1.00 0.00 C ATOM 0 H LEU A 47 -3.705 1.317 -9.765 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.374 1.335 -12.239 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.976 -0.623 -10.062 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.547 -1.315 -11.614 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.602 -1.074 -10.072 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.900 -0.023 -11.738 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.289 -1.085 -12.529 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.510 0.680 -12.566 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.283 1.202 -9.647 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.128 1.906 -10.473 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.343 1.009 -8.951 1.00 0.00 H new ATOM 748 N LYS A 48 -5.206 -0.395 -12.180 1.00 0.00 N ATOM 749 CA LYS A 48 -6.250 -0.968 -13.029 1.00 0.00 C ATOM 750 C LYS A 48 -6.961 0.119 -13.831 1.00 0.00 C ATOM 751 O LYS A 48 -7.286 -0.071 -15.004 1.00 0.00 O ATOM 752 CB LYS A 48 -7.277 -1.714 -12.174 1.00 0.00 C ATOM 753 CG LYS A 48 -8.244 -2.481 -13.079 1.00 0.00 C ATOM 754 CD LYS A 48 -9.615 -2.569 -12.402 1.00 0.00 C ATOM 755 CE LYS A 48 -10.265 -1.182 -12.362 1.00 0.00 C ATOM 756 NZ LYS A 48 -11.293 -1.034 -13.431 1.00 0.00 N ATOM 0 H LYS A 48 -5.367 -0.501 -11.178 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.773 -1.663 -13.721 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.770 -2.404 -11.500 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.828 -1.008 -11.552 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.334 -1.979 -14.042 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.859 -3.481 -13.276 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.255 -3.265 -12.945 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.507 -2.959 -11.390 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.726 -1.022 -11.387 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.499 -0.416 -12.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.715 -0.085 -13.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.847 -1.163 -14.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.035 -1.751 -13.300 1.00 0.00 H new ATOM 770 N ARG A 49 -7.206 1.257 -13.190 1.00 0.00 N ATOM 771 CA ARG A 49 -7.889 2.364 -13.858 1.00 0.00 C ATOM 772 C ARG A 49 -6.979 3.008 -14.902 1.00 0.00 C ATOM 773 O ARG A 49 -7.413 3.338 -16.006 1.00 0.00 O ATOM 774 CB ARG A 49 -8.310 3.428 -12.842 1.00 0.00 C ATOM 775 CG ARG A 49 -9.672 3.060 -12.250 1.00 0.00 C ATOM 776 CD ARG A 49 -10.481 4.333 -11.993 1.00 0.00 C ATOM 777 NE ARG A 49 -9.867 5.128 -10.933 1.00 0.00 N ATOM 778 CZ ARG A 49 -9.080 6.162 -11.219 1.00 0.00 C ATOM 779 NH1 ARG A 49 -9.436 7.016 -12.139 1.00 0.00 N ATOM 780 NH2 ARG A 49 -7.953 6.322 -10.581 1.00 0.00 N ATOM 0 H ARG A 49 -6.946 1.438 -12.220 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.774 1.960 -14.349 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.566 3.503 -12.049 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -8.363 4.405 -13.323 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.212 2.406 -12.934 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -9.538 2.508 -11.320 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.542 4.922 -12.908 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.502 4.071 -11.714 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.044 4.887 -9.958 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.317 6.891 -12.638 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.834 7.809 -12.359 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -7.675 5.654 -9.862 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.350 7.115 -10.801 1.00 0.00 H new ATOM 794 N ALA A 50 -5.712 3.186 -14.539 1.00 0.00 N ATOM 795 CA ALA A 50 -4.742 3.794 -15.447 1.00 0.00 C ATOM 796 C ALA A 50 -4.608 2.971 -16.725 1.00 0.00 C ATOM 797 O ALA A 50 -4.354 3.509 -17.803 1.00 0.00 O ATOM 798 CB ALA A 50 -3.372 3.896 -14.775 1.00 0.00 C ATOM 0 H ALA A 50 -5.334 2.920 -13.630 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.101 4.792 -15.698 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.661 4.351 -15.465 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.451 4.511 -13.878 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.025 2.899 -14.502 1.00 0.00 H new ATOM 804 N GLY A 51 -4.784 1.661 -16.592 1.00 0.00 N ATOM 805 CA GLY A 51 -4.684 0.768 -17.740 1.00 0.00 C ATOM 806 C GLY A 51 -3.326 0.073 -17.778 1.00 0.00 C ATOM 807 O GLY A 51 -2.820 -0.271 -18.845 1.00 0.00 O ATOM 0 H GLY A 51 -4.995 1.197 -15.708 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.477 0.022 -17.694 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.832 1.334 -18.659 1.00 0.00 H new ATOM 811 N PHE A 52 -2.744 -0.136 -16.599 1.00 0.00 N ATOM 812 CA PHE A 52 -1.444 -0.799 -16.509 1.00 0.00 C ATOM 813 C PHE A 52 -1.597 -2.204 -15.928 1.00 0.00 C ATOM 814 O PHE A 52 -0.665 -2.746 -15.333 1.00 0.00 O ATOM 815 CB PHE A 52 -0.496 0.006 -15.618 1.00 0.00 C ATOM 816 CG PHE A 52 -0.005 1.218 -16.372 1.00 0.00 C ATOM 817 CD1 PHE A 52 -0.912 2.200 -16.787 1.00 0.00 C ATOM 818 CD2 PHE A 52 1.359 1.360 -16.657 1.00 0.00 C ATOM 819 CE1 PHE A 52 -0.456 3.324 -17.486 1.00 0.00 C ATOM 820 CE2 PHE A 52 1.815 2.484 -17.357 1.00 0.00 C ATOM 821 CZ PHE A 52 0.907 3.466 -17.772 1.00 0.00 C ATOM 0 H PHE A 52 -3.145 0.140 -15.703 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.031 -0.866 -17.516 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.010 0.314 -14.707 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.348 -0.613 -15.314 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.964 2.091 -16.568 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.059 0.603 -16.337 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.156 4.082 -17.805 1.00 0.00 H new ATOM 0 HE2 PHE A 52 2.867 2.593 -17.577 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.258 4.333 -18.313 1.00 0.00 H new ATOM 831 N ILE A 53 -2.783 -2.787 -16.109 1.00 0.00 N ATOM 832 CA ILE A 53 -3.054 -4.130 -15.602 1.00 0.00 C ATOM 833 C ILE A 53 -4.479 -4.541 -15.976 1.00 0.00 C ATOM 834 O ILE A 53 -5.374 -3.702 -16.070 1.00 0.00 O ATOM 835 CB ILE A 53 -2.875 -4.173 -14.073 1.00 0.00 C ATOM 836 CG1 ILE A 53 -3.089 -5.603 -13.565 1.00 0.00 C ATOM 837 CG2 ILE A 53 -3.878 -3.234 -13.395 1.00 0.00 C ATOM 838 CD1 ILE A 53 -2.360 -5.783 -12.231 1.00 0.00 C ATOM 0 H ILE A 53 -3.565 -2.353 -16.599 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.348 -4.828 -16.052 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.863 -3.848 -13.830 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.154 -5.801 -13.440 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.715 -6.320 -14.296 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.741 -3.274 -12.314 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.715 -2.214 -13.744 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.893 -3.545 -13.644 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.511 -6.800 -11.868 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.294 -5.603 -12.372 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.755 -5.075 -11.502 1.00 0.00 H new ATOM 850 N ASP A 54 -4.681 -5.837 -16.194 1.00 0.00 N ATOM 851 CA ASP A 54 -6.008 -6.329 -16.564 1.00 0.00 C ATOM 852 C ASP A 54 -6.794 -6.752 -15.325 1.00 0.00 C ATOM 853 O ASP A 54 -6.227 -7.014 -14.264 1.00 0.00 O ATOM 854 CB ASP A 54 -5.910 -7.515 -17.533 1.00 0.00 C ATOM 855 CG ASP A 54 -4.921 -8.552 -17.005 1.00 0.00 C ATOM 856 OD1 ASP A 54 -4.739 -8.616 -15.800 1.00 0.00 O ATOM 857 OD2 ASP A 54 -4.359 -9.269 -17.817 1.00 0.00 O ATOM 0 H ASP A 54 -3.960 -6.555 -16.123 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.531 -5.511 -17.060 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.892 -7.971 -17.660 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.591 -7.165 -18.515 1.00 0.00 H new ATOM 862 N ALA A 55 -8.115 -6.807 -15.483 1.00 0.00 N ATOM 863 CA ALA A 55 -9.012 -7.184 -14.388 1.00 0.00 C ATOM 864 C ALA A 55 -8.621 -8.520 -13.745 1.00 0.00 C ATOM 865 O ALA A 55 -9.029 -8.814 -12.622 1.00 0.00 O ATOM 866 CB ALA A 55 -10.450 -7.291 -14.900 1.00 0.00 C ATOM 0 H ALA A 55 -8.591 -6.595 -16.360 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.929 -6.404 -13.632 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.109 -7.572 -14.078 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.765 -6.329 -15.305 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -10.502 -8.048 -15.682 1.00 0.00 H new ATOM 872 N SER A 56 -7.849 -9.336 -14.463 1.00 0.00 N ATOM 873 CA SER A 56 -7.447 -10.638 -13.930 1.00 0.00 C ATOM 874 C SER A 56 -6.155 -10.529 -13.123 1.00 0.00 C ATOM 875 O SER A 56 -5.916 -11.315 -12.207 1.00 0.00 O ATOM 876 CB SER A 56 -7.238 -11.637 -15.069 1.00 0.00 C ATOM 877 OG SER A 56 -6.622 -10.974 -16.165 1.00 0.00 O ATOM 0 H SER A 56 -7.495 -9.125 -15.396 1.00 0.00 H new ATOM 0 HA SER A 56 -8.246 -10.986 -13.275 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.614 -12.465 -14.732 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.194 -12.062 -15.376 1.00 0.00 H new ATOM 0 HG SER A 56 -6.484 -11.611 -16.897 1.00 0.00 H new ATOM 883 N GLY A 57 -5.327 -9.547 -13.463 1.00 0.00 N ATOM 884 CA GLY A 57 -4.070 -9.349 -12.750 1.00 0.00 C ATOM 885 C GLY A 57 -2.935 -10.126 -13.406 1.00 0.00 C ATOM 886 O GLY A 57 -2.186 -10.842 -12.740 1.00 0.00 O ATOM 0 H GLY A 57 -5.500 -8.883 -14.218 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.823 -8.287 -12.730 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.182 -9.669 -11.714 1.00 0.00 H new ATOM 890 N GLU A 58 -2.808 -9.970 -14.721 1.00 0.00 N ATOM 891 CA GLU A 58 -1.754 -10.657 -15.465 1.00 0.00 C ATOM 892 C GLU A 58 -0.450 -9.844 -15.486 1.00 0.00 C ATOM 893 O GLU A 58 0.465 -10.161 -16.244 1.00 0.00 O ATOM 894 CB GLU A 58 -2.200 -10.903 -16.908 1.00 0.00 C ATOM 895 CG GLU A 58 -1.436 -12.096 -17.484 1.00 0.00 C ATOM 896 CD GLU A 58 -2.196 -12.657 -18.681 1.00 0.00 C ATOM 897 OE1 GLU A 58 -3.351 -13.009 -18.514 1.00 0.00 O ATOM 898 OE2 GLU A 58 -1.611 -12.726 -19.750 1.00 0.00 O ATOM 0 H GLU A 58 -3.415 -9.380 -15.290 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.569 -11.604 -14.959 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.272 -11.095 -16.940 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.017 -10.015 -17.512 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.435 -11.788 -17.787 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.316 -12.867 -16.722 1.00 0.00 H new ATOM 905 N PHE A 59 -0.372 -8.795 -14.645 1.00 0.00 N ATOM 906 CA PHE A 59 0.823 -7.926 -14.566 1.00 0.00 C ATOM 907 C PHE A 59 1.433 -7.652 -15.945 1.00 0.00 C ATOM 908 O PHE A 59 2.253 -8.422 -16.445 1.00 0.00 O ATOM 909 CB PHE A 59 1.911 -8.520 -13.646 1.00 0.00 C ATOM 910 CG PHE A 59 1.959 -10.030 -13.749 1.00 0.00 C ATOM 911 CD1 PHE A 59 2.761 -10.648 -14.716 1.00 0.00 C ATOM 912 CD2 PHE A 59 1.199 -10.813 -12.870 1.00 0.00 C ATOM 913 CE1 PHE A 59 2.802 -12.044 -14.804 1.00 0.00 C ATOM 914 CE2 PHE A 59 1.240 -12.208 -12.959 1.00 0.00 C ATOM 915 CZ PHE A 59 2.042 -12.824 -13.926 1.00 0.00 C ATOM 0 H PHE A 59 -1.123 -8.527 -14.009 1.00 0.00 H new ATOM 0 HA PHE A 59 0.473 -6.985 -14.142 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.882 -8.105 -13.914 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.714 -8.230 -12.614 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.348 -10.047 -15.394 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.581 -10.338 -12.123 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.421 -12.520 -15.550 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.653 -12.810 -12.281 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.074 -13.901 -13.995 1.00 0.00 H new ATOM 925 N GLN A 60 1.021 -6.539 -16.545 1.00 0.00 N ATOM 926 CA GLN A 60 1.529 -6.157 -17.860 1.00 0.00 C ATOM 927 C GLN A 60 2.810 -5.340 -17.709 1.00 0.00 C ATOM 928 O GLN A 60 2.797 -4.113 -17.802 1.00 0.00 O ATOM 929 CB GLN A 60 0.487 -5.327 -18.617 1.00 0.00 C ATOM 930 CG GLN A 60 -0.408 -6.256 -19.438 1.00 0.00 C ATOM 931 CD GLN A 60 -1.811 -5.664 -19.526 1.00 0.00 C ATOM 932 OE1 GLN A 60 -1.976 -4.445 -19.547 1.00 0.00 O ATOM 933 NE2 GLN A 60 -2.841 -6.463 -19.579 1.00 0.00 N ATOM 0 H GLN A 60 0.342 -5.890 -16.146 1.00 0.00 H new ATOM 0 HA GLN A 60 1.740 -7.066 -18.423 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.116 -4.752 -17.914 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.983 -4.611 -19.272 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.006 -6.387 -20.438 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.446 -7.243 -18.977 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.704 -7.474 -19.562 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.783 -6.077 -19.638 1.00 0.00 H new ATOM 942 N LEU A 61 3.914 -6.037 -17.464 1.00 0.00 N ATOM 943 CA LEU A 61 5.203 -5.373 -17.287 1.00 0.00 C ATOM 944 C LEU A 61 5.776 -4.920 -18.625 1.00 0.00 C ATOM 945 O LEU A 61 6.514 -3.937 -18.695 1.00 0.00 O ATOM 946 CB LEU A 61 6.196 -6.315 -16.609 1.00 0.00 C ATOM 947 CG LEU A 61 5.653 -7.076 -15.396 1.00 0.00 C ATOM 948 CD1 LEU A 61 6.791 -7.843 -14.724 1.00 0.00 C ATOM 949 CD2 LEU A 61 5.048 -6.082 -14.399 1.00 0.00 C ATOM 0 H LEU A 61 3.944 -7.053 -17.384 1.00 0.00 H new ATOM 0 HA LEU A 61 5.041 -4.497 -16.659 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.545 -7.039 -17.345 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.064 -5.736 -16.295 1.00 0.00 H new ATOM 0 HG LEU A 61 4.885 -7.778 -15.721 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.405 -8.385 -13.861 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.222 -8.550 -15.433 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.560 -7.142 -14.398 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.661 -6.623 -13.535 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.816 -5.380 -14.074 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.236 -5.535 -14.878 1.00 0.00 H new ATOM 961 N ASP A 62 5.433 -5.643 -19.688 1.00 0.00 N ATOM 962 CA ASP A 62 5.926 -5.296 -21.020 1.00 0.00 C ATOM 963 C ASP A 62 5.504 -3.878 -21.397 1.00 0.00 C ATOM 964 O ASP A 62 6.197 -3.189 -22.144 1.00 0.00 O ATOM 965 CB ASP A 62 5.383 -6.273 -22.065 1.00 0.00 C ATOM 966 CG ASP A 62 6.262 -6.227 -23.309 1.00 0.00 C ATOM 967 OD1 ASP A 62 7.243 -6.951 -23.345 1.00 0.00 O ATOM 968 OD2 ASP A 62 5.941 -5.467 -24.209 1.00 0.00 O ATOM 0 H ASP A 62 4.825 -6.461 -19.656 1.00 0.00 H new ATOM 0 HA ASP A 62 7.014 -5.355 -20.999 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.363 -7.284 -21.658 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.356 -6.013 -22.322 1.00 0.00 H new ATOM 973 N HIS A 63 4.362 -3.448 -20.866 1.00 0.00 N ATOM 974 CA HIS A 63 3.861 -2.108 -21.149 1.00 0.00 C ATOM 975 C HIS A 63 4.476 -1.100 -20.183 1.00 0.00 C ATOM 976 O HIS A 63 4.730 0.051 -20.541 1.00 0.00 O ATOM 977 CB HIS A 63 2.339 -2.064 -21.013 1.00 0.00 C ATOM 978 CG HIS A 63 1.707 -2.468 -22.317 1.00 0.00 C ATOM 979 ND1 HIS A 63 0.932 -1.595 -23.065 1.00 0.00 N ATOM 980 CD2 HIS A 63 1.726 -3.648 -23.018 1.00 0.00 C ATOM 981 CE1 HIS A 63 0.521 -2.257 -24.163 1.00 0.00 C ATOM 982 NE2 HIS A 63 0.977 -3.513 -24.184 1.00 0.00 N ATOM 0 H HIS A 63 3.773 -4.002 -20.244 1.00 0.00 H new ATOM 0 HA HIS A 63 4.139 -1.852 -22.171 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.015 -2.734 -20.217 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.017 -1.060 -20.736 1.00 0.00 H new ATOM 0 HD2 HIS A 63 2.243 -4.545 -22.712 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -0.101 -1.826 -24.933 1.00 0.00 H new ATOM 0 HE2 HIS A 63 0.812 -4.220 -24.900 1.00 0.00 H new ATOM 990 N ILE A 64 4.714 -1.546 -18.952 1.00 0.00 N ATOM 991 CA ILE A 64 5.302 -0.676 -17.937 1.00 0.00 C ATOM 992 C ILE A 64 6.752 -0.350 -18.289 1.00 0.00 C ATOM 993 O ILE A 64 7.129 0.814 -18.409 1.00 0.00 O ATOM 994 CB ILE A 64 5.253 -1.352 -16.560 1.00 0.00 C ATOM 995 CG1 ILE A 64 3.807 -1.741 -16.237 1.00 0.00 C ATOM 996 CG2 ILE A 64 5.762 -0.388 -15.485 1.00 0.00 C ATOM 997 CD1 ILE A 64 3.790 -2.899 -15.233 1.00 0.00 C ATOM 0 H ILE A 64 4.511 -2.494 -18.635 1.00 0.00 H new ATOM 0 HA ILE A 64 4.724 0.248 -17.905 1.00 0.00 H new ATOM 0 HB ILE A 64 5.884 -2.241 -16.577 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.274 -0.884 -15.826 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.287 -2.032 -17.150 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.724 -0.876 -14.511 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.790 -0.104 -15.708 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.135 0.503 -15.469 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.759 -3.170 -15.008 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.306 -3.759 -15.660 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.293 -2.593 -14.316 1.00 0.00 H new ATOM 1009 N LYS A 65 7.564 -1.396 -18.445 1.00 0.00 N ATOM 1010 CA LYS A 65 8.982 -1.216 -18.772 1.00 0.00 C ATOM 1011 C LYS A 65 9.165 -0.325 -20.006 1.00 0.00 C ATOM 1012 O LYS A 65 9.982 0.596 -20.005 1.00 0.00 O ATOM 1013 CB LYS A 65 9.663 -2.576 -19.003 1.00 0.00 C ATOM 1014 CG LYS A 65 9.070 -3.280 -20.229 1.00 0.00 C ATOM 1015 CD LYS A 65 9.453 -4.764 -20.207 1.00 0.00 C ATOM 1016 CE LYS A 65 10.974 -4.906 -20.317 1.00 0.00 C ATOM 1017 NZ LYS A 65 11.352 -6.146 -21.054 1.00 0.00 N ATOM 0 H LYS A 65 7.270 -2.368 -18.352 1.00 0.00 H new ATOM 0 HA LYS A 65 9.452 -0.722 -17.922 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.734 -2.432 -19.143 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.538 -3.205 -18.121 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.985 -3.174 -20.232 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.438 -2.813 -21.142 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.101 -5.227 -19.285 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.969 -5.287 -21.032 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.386 -4.036 -20.829 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.412 -4.926 -19.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.388 -6.213 -21.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.979 -6.976 -20.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.953 -6.114 -22.014 1.00 0.00 H new ATOM 1031 N THR A 66 8.394 -0.607 -21.055 1.00 0.00 N ATOM 1032 CA THR A 66 8.483 0.174 -22.287 1.00 0.00 C ATOM 1033 C THR A 66 8.146 1.641 -22.026 1.00 0.00 C ATOM 1034 O THR A 66 8.895 2.541 -22.403 1.00 0.00 O ATOM 1035 CB THR A 66 7.521 -0.379 -23.343 1.00 0.00 C ATOM 1036 OG1 THR A 66 7.737 -1.776 -23.490 1.00 0.00 O ATOM 1037 CG2 THR A 66 7.768 0.319 -24.682 1.00 0.00 C ATOM 0 H THR A 66 7.708 -1.362 -21.077 1.00 0.00 H new ATOM 0 HA THR A 66 9.507 0.101 -22.652 1.00 0.00 H new ATOM 0 HB THR A 66 6.493 -0.198 -23.027 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.881 -2.248 -23.426 1.00 0.00 H new ATOM 0 HG21 THR A 66 7.082 -0.077 -25.431 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.603 1.391 -24.570 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.795 0.141 -25.001 1.00 0.00 H new ATOM 1045 N LYS A 67 7.001 1.868 -21.387 1.00 0.00 N ATOM 1046 CA LYS A 67 6.561 3.229 -21.088 1.00 0.00 C ATOM 1047 C LYS A 67 7.535 3.922 -20.142 1.00 0.00 C ATOM 1048 O LYS A 67 7.740 5.133 -20.222 1.00 0.00 O ATOM 1049 CB LYS A 67 5.171 3.211 -20.448 1.00 0.00 C ATOM 1050 CG LYS A 67 4.104 3.296 -21.541 1.00 0.00 C ATOM 1051 CD LYS A 67 2.726 3.467 -20.899 1.00 0.00 C ATOM 1052 CE LYS A 67 2.063 2.099 -20.735 1.00 0.00 C ATOM 1053 NZ LYS A 67 0.583 2.189 -20.888 1.00 0.00 N ATOM 0 H LYS A 67 6.366 1.136 -21.069 1.00 0.00 H new ATOM 0 HA LYS A 67 6.525 3.780 -22.028 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.039 2.299 -19.866 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.066 4.048 -19.757 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.314 4.135 -22.204 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.122 2.394 -22.152 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.824 3.954 -19.929 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.103 4.112 -21.518 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.465 1.407 -21.475 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.305 1.691 -19.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.192 1.238 -21.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.169 2.598 -20.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.354 2.794 -21.702 1.00 0.00 H new ATOM 1067 N PHE A 68 8.132 3.146 -19.244 1.00 0.00 N ATOM 1068 CA PHE A 68 9.081 3.706 -18.288 1.00 0.00 C ATOM 1069 C PHE A 68 10.329 4.201 -19.014 1.00 0.00 C ATOM 1070 O PHE A 68 10.951 5.181 -18.609 1.00 0.00 O ATOM 1071 CB PHE A 68 9.477 2.649 -17.243 1.00 0.00 C ATOM 1072 CG PHE A 68 9.062 3.107 -15.862 1.00 0.00 C ATOM 1073 CD1 PHE A 68 9.877 3.987 -15.142 1.00 0.00 C ATOM 1074 CD2 PHE A 68 7.861 2.651 -15.307 1.00 0.00 C ATOM 1075 CE1 PHE A 68 9.491 4.412 -13.865 1.00 0.00 C ATOM 1076 CE2 PHE A 68 7.475 3.076 -14.029 1.00 0.00 C ATOM 1077 CZ PHE A 68 8.291 3.957 -13.308 1.00 0.00 C ATOM 0 H PHE A 68 7.979 2.141 -19.158 1.00 0.00 H new ATOM 0 HA PHE A 68 8.604 4.545 -17.781 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.001 1.697 -17.478 1.00 0.00 H new ATOM 0 HB3 PHE A 68 10.554 2.483 -17.272 1.00 0.00 H new ATOM 0 HD1 PHE A 68 10.804 4.338 -15.571 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.232 1.972 -15.863 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.120 5.092 -13.309 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.548 2.724 -13.600 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.994 4.285 -12.323 1.00 0.00 H new ATOM 1087 N LYS A 69 10.687 3.507 -20.093 1.00 0.00 N ATOM 1088 CA LYS A 69 11.864 3.880 -20.872 1.00 0.00 C ATOM 1089 C LYS A 69 11.577 5.112 -21.727 1.00 0.00 C ATOM 1090 O LYS A 69 12.163 6.175 -21.526 1.00 0.00 O ATOM 1091 CB LYS A 69 12.288 2.728 -21.785 1.00 0.00 C ATOM 1092 CG LYS A 69 13.055 1.684 -20.970 1.00 0.00 C ATOM 1093 CD LYS A 69 14.558 1.948 -21.082 1.00 0.00 C ATOM 1094 CE LYS A 69 15.327 0.688 -20.680 1.00 0.00 C ATOM 1095 NZ LYS A 69 16.661 1.026 -20.104 1.00 0.00 N ATOM 0 H LYS A 69 10.184 2.692 -20.444 1.00 0.00 H new ATOM 0 HA LYS A 69 12.669 4.106 -20.173 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.411 2.273 -22.245 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.913 3.103 -22.595 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.745 1.724 -19.926 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.823 0.683 -21.333 1.00 0.00 H new ATOM 0 HD2 LYS A 69 14.813 2.233 -22.103 1.00 0.00 H new ATOM 0 HD3 LYS A 69 14.841 2.781 -20.438 1.00 0.00 H new ATOM 0 HE2 LYS A 69 14.747 0.123 -19.951 1.00 0.00 H new ATOM 0 HE3 LYS A 69 15.457 0.046 -21.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 17.192 0.151 -19.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 17.190 1.617 -20.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 16.533 1.547 -19.213 1.00 0.00 H new ATOM 1109 N GLU A 70 10.668 4.954 -22.689 1.00 0.00 N ATOM 1110 CA GLU A 70 10.303 6.054 -23.587 1.00 0.00 C ATOM 1111 C GLU A 70 9.920 7.313 -22.806 1.00 0.00 C ATOM 1112 O GLU A 70 9.185 7.253 -21.821 1.00 0.00 O ATOM 1113 CB GLU A 70 9.126 5.646 -24.477 1.00 0.00 C ATOM 1114 CG GLU A 70 7.946 5.212 -23.605 1.00 0.00 C ATOM 1115 CD GLU A 70 7.025 4.302 -24.410 1.00 0.00 C ATOM 1116 OE1 GLU A 70 6.384 4.799 -25.321 1.00 0.00 O ATOM 1117 OE2 GLU A 70 6.974 3.123 -24.104 1.00 0.00 O ATOM 0 H GLU A 70 10.172 4.081 -22.868 1.00 0.00 H new ATOM 0 HA GLU A 70 11.176 6.274 -24.201 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.833 6.481 -25.114 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.422 4.831 -25.137 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.308 4.689 -22.719 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.397 6.087 -23.257 1.00 0.00 H new ATOM 1124 N ASN A 71 10.426 8.455 -23.268 1.00 0.00 N ATOM 1125 CA ASN A 71 10.132 9.732 -22.621 1.00 0.00 C ATOM 1126 C ASN A 71 10.593 9.728 -21.165 1.00 0.00 C ATOM 1127 O ASN A 71 10.017 10.410 -20.318 1.00 0.00 O ATOM 1128 CB ASN A 71 8.630 10.019 -22.666 1.00 0.00 C ATOM 1129 CG ASN A 71 8.165 10.075 -24.116 1.00 0.00 C ATOM 1130 OD1 ASN A 71 8.142 9.056 -24.808 1.00 0.00 O ATOM 1131 ND2 ASN A 71 7.788 11.216 -24.626 1.00 0.00 N ATOM 0 H ASN A 71 11.037 8.522 -24.082 1.00 0.00 H new ATOM 0 HA ASN A 71 10.672 10.508 -23.163 1.00 0.00 H new ATOM 0 HB2 ASN A 71 8.085 9.243 -22.128 1.00 0.00 H new ATOM 0 HB3 ASN A 71 8.415 10.964 -22.167 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.475 11.263 -25.596 1.00 0.00 H new ATOM 0 HD22 ASN A 71 7.806 12.061 -24.055 1.00 0.00 H new ATOM 1138 N SER A 72 11.639 8.956 -20.883 1.00 0.00 N ATOM 1139 CA SER A 72 12.167 8.879 -19.522 1.00 0.00 C ATOM 1140 C SER A 72 13.054 10.084 -19.226 1.00 0.00 C ATOM 1141 O SER A 72 13.836 10.520 -20.071 1.00 0.00 O ATOM 1142 CB SER A 72 12.983 7.603 -19.333 1.00 0.00 C ATOM 1143 OG SER A 72 13.630 7.642 -18.069 1.00 0.00 O ATOM 0 H SER A 72 12.133 8.382 -21.567 1.00 0.00 H new ATOM 0 HA SER A 72 11.321 8.871 -18.835 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.334 6.730 -19.395 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.721 7.508 -20.129 1.00 0.00 H new ATOM 0 HG SER A 72 13.737 6.729 -17.728 1.00 0.00 H new ATOM 1149 N GLU A 73 12.928 10.612 -18.013 1.00 0.00 N ATOM 1150 CA GLU A 73 13.729 11.765 -17.609 1.00 0.00 C ATOM 1151 C GLU A 73 15.138 11.321 -17.226 1.00 0.00 C ATOM 1152 O GLU A 73 16.111 12.047 -17.431 1.00 0.00 O ATOM 1153 CB GLU A 73 13.085 12.474 -16.416 1.00 0.00 C ATOM 1154 CG GLU A 73 12.123 13.550 -16.922 1.00 0.00 C ATOM 1155 CD GLU A 73 11.015 13.766 -15.896 1.00 0.00 C ATOM 1156 OE1 GLU A 73 11.339 14.040 -14.752 1.00 0.00 O ATOM 1157 OE2 GLU A 73 9.859 13.652 -16.268 1.00 0.00 O ATOM 0 H GLU A 73 12.287 10.266 -17.299 1.00 0.00 H new ATOM 0 HA GLU A 73 13.780 12.454 -18.452 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.550 11.754 -15.797 1.00 0.00 H new ATOM 0 HB3 GLU A 73 13.854 12.924 -15.788 1.00 0.00 H new ATOM 0 HG2 GLU A 73 12.661 14.482 -17.093 1.00 0.00 H new ATOM 0 HG3 GLU A 73 11.694 13.249 -17.878 1.00 0.00 H new ATOM 1164 N HIS A 74 15.235 10.117 -16.667 1.00 0.00 N ATOM 1165 CA HIS A 74 16.529 9.577 -16.259 1.00 0.00 C ATOM 1166 C HIS A 74 16.528 8.047 -16.384 1.00 0.00 C ATOM 1167 O HIS A 74 16.627 7.330 -15.387 1.00 0.00 O ATOM 1168 CB HIS A 74 16.839 9.973 -14.812 1.00 0.00 C ATOM 1169 CG HIS A 74 17.070 11.456 -14.737 1.00 0.00 C ATOM 1170 ND1 HIS A 74 16.253 12.296 -13.996 1.00 0.00 N ATOM 1171 CD2 HIS A 74 18.022 12.266 -15.305 1.00 0.00 C ATOM 1172 CE1 HIS A 74 16.723 13.548 -14.138 1.00 0.00 C ATOM 1173 NE2 HIS A 74 17.801 13.587 -14.925 1.00 0.00 N ATOM 0 H HIS A 74 14.441 9.502 -16.488 1.00 0.00 H new ATOM 0 HA HIS A 74 17.296 9.990 -16.914 1.00 0.00 H new ATOM 0 HB2 HIS A 74 16.012 9.690 -14.161 1.00 0.00 H new ATOM 0 HB3 HIS A 74 17.721 9.438 -14.458 1.00 0.00 H new ATOM 0 HD2 HIS A 74 18.821 11.929 -15.949 1.00 0.00 H new ATOM 0 HE1 HIS A 74 16.282 14.417 -13.672 1.00 0.00 H new ATOM 0 HE2 HIS A 74 18.345 14.408 -15.191 1.00 0.00 H new ATOM 1181 N PRO A 75 16.410 7.529 -17.615 1.00 0.00 N ATOM 1182 CA PRO A 75 16.393 6.078 -17.860 1.00 0.00 C ATOM 1183 C PRO A 75 17.771 5.444 -17.697 1.00 0.00 C ATOM 1184 O PRO A 75 18.796 6.099 -17.879 1.00 0.00 O ATOM 1185 CB PRO A 75 15.929 5.956 -19.310 1.00 0.00 C ATOM 1186 CG PRO A 75 16.314 7.245 -19.949 1.00 0.00 C ATOM 1187 CD PRO A 75 16.285 8.292 -18.872 1.00 0.00 C ATOM 0 HA PRO A 75 15.749 5.561 -17.148 1.00 0.00 H new ATOM 0 HB2 PRO A 75 16.406 5.111 -19.807 1.00 0.00 H new ATOM 0 HB3 PRO A 75 14.853 5.793 -19.367 1.00 0.00 H new ATOM 0 HG2 PRO A 75 17.307 7.175 -20.392 1.00 0.00 H new ATOM 0 HG3 PRO A 75 15.623 7.499 -20.753 1.00 0.00 H new ATOM 0 HD2 PRO A 75 17.102 9.004 -18.988 1.00 0.00 H new ATOM 0 HD3 PRO A 75 15.358 8.864 -18.899 1.00 0.00 H new ATOM 1195 N GLU A 76 17.785 4.156 -17.361 1.00 0.00 N ATOM 1196 CA GLU A 76 19.048 3.443 -17.189 1.00 0.00 C ATOM 1197 C GLU A 76 18.858 1.938 -17.388 1.00 0.00 C ATOM 1198 O GLU A 76 19.566 1.319 -18.180 1.00 0.00 O ATOM 1199 CB GLU A 76 19.658 3.709 -15.803 1.00 0.00 C ATOM 1200 CG GLU A 76 18.599 3.557 -14.701 1.00 0.00 C ATOM 1201 CD GLU A 76 18.760 2.203 -14.016 1.00 0.00 C ATOM 1202 OE1 GLU A 76 19.816 1.967 -13.454 1.00 0.00 O ATOM 1203 OE2 GLU A 76 17.824 1.422 -14.065 1.00 0.00 O ATOM 0 H GLU A 76 16.950 3.592 -17.204 1.00 0.00 H new ATOM 0 HA GLU A 76 19.735 3.817 -17.948 1.00 0.00 H new ATOM 0 HB2 GLU A 76 20.479 3.015 -15.623 1.00 0.00 H new ATOM 0 HB3 GLU A 76 20.079 4.714 -15.773 1.00 0.00 H new ATOM 0 HG2 GLU A 76 18.703 4.359 -13.971 1.00 0.00 H new ATOM 0 HG3 GLU A 76 17.600 3.642 -15.129 1.00 0.00 H new ATOM 1210 N LYS A 77 17.897 1.357 -16.667 1.00 0.00 N ATOM 1211 CA LYS A 77 17.632 -0.077 -16.780 1.00 0.00 C ATOM 1212 C LYS A 77 16.308 -0.440 -16.101 1.00 0.00 C ATOM 1213 O LYS A 77 16.250 -1.321 -15.240 1.00 0.00 O ATOM 1214 CB LYS A 77 18.768 -0.877 -16.130 1.00 0.00 C ATOM 1215 CG LYS A 77 19.843 -1.193 -17.171 1.00 0.00 C ATOM 1216 CD LYS A 77 20.519 -2.520 -16.822 1.00 0.00 C ATOM 1217 CE LYS A 77 21.469 -2.313 -15.640 1.00 0.00 C ATOM 1218 NZ LYS A 77 22.655 -3.213 -15.732 1.00 0.00 N ATOM 0 H LYS A 77 17.296 1.851 -16.007 1.00 0.00 H new ATOM 0 HA LYS A 77 17.568 -0.326 -17.839 1.00 0.00 H new ATOM 0 HB2 LYS A 77 19.202 -0.308 -15.308 1.00 0.00 H new ATOM 0 HB3 LYS A 77 18.377 -1.802 -15.706 1.00 0.00 H new ATOM 0 HG2 LYS A 77 19.397 -1.250 -18.164 1.00 0.00 H new ATOM 0 HG3 LYS A 77 20.583 -0.393 -17.200 1.00 0.00 H new ATOM 0 HD2 LYS A 77 19.767 -3.269 -16.571 1.00 0.00 H new ATOM 0 HD3 LYS A 77 21.070 -2.897 -17.683 1.00 0.00 H new ATOM 0 HE2 LYS A 77 21.799 -1.275 -15.614 1.00 0.00 H new ATOM 0 HE3 LYS A 77 20.938 -2.502 -14.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 23.280 -3.049 -14.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 22.340 -4.204 -15.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 23.174 -3.015 -16.611 1.00 0.00 H new ATOM 1232 N VAL A 78 15.237 0.244 -16.498 1.00 0.00 N ATOM 1233 CA VAL A 78 13.922 -0.026 -15.916 1.00 0.00 C ATOM 1234 C VAL A 78 13.504 -1.469 -16.200 1.00 0.00 C ATOM 1235 O VAL A 78 12.894 -2.129 -15.359 1.00 0.00 O ATOM 1236 CB VAL A 78 12.863 0.930 -16.483 1.00 0.00 C ATOM 1237 CG1 VAL A 78 11.510 0.681 -15.796 1.00 0.00 C ATOM 1238 CG2 VAL A 78 13.297 2.378 -16.235 1.00 0.00 C ATOM 0 H VAL A 78 15.250 0.977 -17.207 1.00 0.00 H new ATOM 0 HA VAL A 78 13.995 0.128 -14.839 1.00 0.00 H new ATOM 0 HB VAL A 78 12.761 0.754 -17.554 1.00 0.00 H new ATOM 0 HG11 VAL A 78 10.764 1.363 -16.204 1.00 0.00 H new ATOM 0 HG12 VAL A 78 11.196 -0.348 -15.973 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.610 0.851 -14.724 1.00 0.00 H new ATOM 0 HG21 VAL A 78 12.545 3.057 -16.637 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.403 2.548 -15.164 1.00 0.00 H new ATOM 0 HG23 VAL A 78 14.252 2.561 -16.727 1.00 0.00 H new ATOM 1248 N ASP A 79 13.836 -1.952 -17.399 1.00 0.00 N ATOM 1249 CA ASP A 79 13.485 -3.323 -17.793 1.00 0.00 C ATOM 1250 C ASP A 79 13.949 -4.338 -16.744 1.00 0.00 C ATOM 1251 O ASP A 79 13.174 -5.183 -16.296 1.00 0.00 O ATOM 1252 CB ASP A 79 14.107 -3.680 -19.151 1.00 0.00 C ATOM 1253 CG ASP A 79 15.579 -3.279 -19.181 1.00 0.00 C ATOM 1254 OD1 ASP A 79 15.852 -2.095 -19.070 1.00 0.00 O ATOM 1255 OD2 ASP A 79 16.410 -4.162 -19.314 1.00 0.00 O ATOM 0 H ASP A 79 14.342 -1.423 -18.109 1.00 0.00 H new ATOM 0 HA ASP A 79 12.399 -3.367 -17.872 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.011 -4.750 -19.333 1.00 0.00 H new ATOM 0 HB3 ASP A 79 13.568 -3.171 -19.950 1.00 0.00 H new ATOM 1260 N ASP A 80 15.217 -4.240 -16.351 1.00 0.00 N ATOM 1261 CA ASP A 80 15.765 -5.152 -15.351 1.00 0.00 C ATOM 1262 C ASP A 80 15.131 -4.885 -13.989 1.00 0.00 C ATOM 1263 O ASP A 80 14.871 -5.807 -13.215 1.00 0.00 O ATOM 1264 CB ASP A 80 17.281 -4.975 -15.237 1.00 0.00 C ATOM 1265 CG ASP A 80 17.861 -6.099 -14.386 1.00 0.00 C ATOM 1266 OD1 ASP A 80 17.921 -7.216 -14.875 1.00 0.00 O ATOM 1267 OD2 ASP A 80 18.238 -5.828 -13.258 1.00 0.00 O ATOM 0 H ASP A 80 15.877 -3.547 -16.705 1.00 0.00 H new ATOM 0 HA ASP A 80 15.543 -6.172 -15.665 1.00 0.00 H new ATOM 0 HB2 ASP A 80 17.734 -4.984 -16.228 1.00 0.00 H new ATOM 0 HB3 ASP A 80 17.512 -4.009 -14.789 1.00 0.00 H new ATOM 1272 N LEU A 81 14.891 -3.608 -13.707 1.00 0.00 N ATOM 1273 CA LEU A 81 14.293 -3.211 -12.436 1.00 0.00 C ATOM 1274 C LEU A 81 12.869 -3.758 -12.313 1.00 0.00 C ATOM 1275 O LEU A 81 12.504 -4.343 -11.295 1.00 0.00 O ATOM 1276 CB LEU A 81 14.272 -1.679 -12.316 1.00 0.00 C ATOM 1277 CG LEU A 81 15.148 -1.089 -11.205 1.00 0.00 C ATOM 1278 CD1 LEU A 81 14.570 -1.471 -9.841 1.00 0.00 C ATOM 1279 CD2 LEU A 81 16.573 -1.637 -11.326 1.00 0.00 C ATOM 0 H LEU A 81 15.100 -2.834 -14.337 1.00 0.00 H new ATOM 0 HA LEU A 81 14.898 -3.627 -11.630 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.589 -1.254 -13.268 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.243 -1.360 -12.151 1.00 0.00 H new ATOM 0 HG LEU A 81 15.169 -0.003 -11.301 1.00 0.00 H new ATOM 0 HD11 LEU A 81 15.193 -1.051 -9.051 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.557 -1.078 -9.752 1.00 0.00 H new ATOM 0 HD13 LEU A 81 14.547 -2.557 -9.747 1.00 0.00 H new ATOM 0 HD21 LEU A 81 17.193 -1.216 -10.535 1.00 0.00 H new ATOM 0 HD22 LEU A 81 16.554 -2.723 -11.233 1.00 0.00 H new ATOM 0 HD23 LEU A 81 16.987 -1.363 -12.296 1.00 0.00 H new ATOM 1291 N VAL A 82 12.073 -3.553 -13.359 1.00 0.00 N ATOM 1292 CA VAL A 82 10.686 -4.021 -13.361 1.00 0.00 C ATOM 1293 C VAL A 82 10.622 -5.536 -13.173 1.00 0.00 C ATOM 1294 O VAL A 82 9.647 -6.068 -12.642 1.00 0.00 O ATOM 1295 CB VAL A 82 10.000 -3.646 -14.682 1.00 0.00 C ATOM 1296 CG1 VAL A 82 8.516 -4.025 -14.627 1.00 0.00 C ATOM 1297 CG2 VAL A 82 10.127 -2.136 -14.916 1.00 0.00 C ATOM 0 H VAL A 82 12.359 -3.070 -14.211 1.00 0.00 H new ATOM 0 HA VAL A 82 10.169 -3.539 -12.531 1.00 0.00 H new ATOM 0 HB VAL A 82 10.481 -4.187 -15.497 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.037 -3.756 -15.568 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.420 -5.099 -14.465 1.00 0.00 H new ATOM 0 HG13 VAL A 82 8.034 -3.491 -13.808 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.640 -1.871 -15.854 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.651 -1.599 -14.095 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.181 -1.863 -14.965 1.00 0.00 H new ATOM 1307 N ALA A 83 11.668 -6.229 -13.615 1.00 0.00 N ATOM 1308 CA ALA A 83 11.713 -7.684 -13.489 1.00 0.00 C ATOM 1309 C ALA A 83 11.607 -8.108 -12.025 1.00 0.00 C ATOM 1310 O ALA A 83 10.614 -8.704 -11.605 1.00 0.00 O ATOM 1311 CB ALA A 83 13.020 -8.230 -14.070 1.00 0.00 C ATOM 0 H ALA A 83 12.487 -5.813 -14.059 1.00 0.00 H new ATOM 0 HA ALA A 83 10.866 -8.090 -14.042 1.00 0.00 H new ATOM 0 HB1 ALA A 83 13.038 -9.315 -13.968 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.089 -7.963 -15.125 1.00 0.00 H new ATOM 0 HB3 ALA A 83 13.865 -7.801 -13.531 1.00 0.00 H new ATOM 1317 N LYS A 84 12.648 -7.804 -11.257 1.00 0.00 N ATOM 1318 CA LYS A 84 12.680 -8.164 -9.839 1.00 0.00 C ATOM 1319 C LYS A 84 11.730 -7.299 -9.005 1.00 0.00 C ATOM 1320 O LYS A 84 11.409 -7.645 -7.868 1.00 0.00 O ATOM 1321 CB LYS A 84 14.099 -8.011 -9.287 1.00 0.00 C ATOM 1322 CG LYS A 84 14.248 -8.851 -8.017 1.00 0.00 C ATOM 1323 CD LYS A 84 15.511 -8.424 -7.266 1.00 0.00 C ATOM 1324 CE LYS A 84 15.865 -9.481 -6.219 1.00 0.00 C ATOM 1325 NZ LYS A 84 17.218 -9.245 -5.643 1.00 0.00 N ATOM 0 H LYS A 84 13.478 -7.312 -11.588 1.00 0.00 H new ATOM 0 HA LYS A 84 12.355 -9.202 -9.766 1.00 0.00 H new ATOM 0 HB2 LYS A 84 14.827 -8.329 -10.033 1.00 0.00 H new ATOM 0 HB3 LYS A 84 14.304 -6.963 -9.068 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.373 -8.724 -7.380 1.00 0.00 H new ATOM 0 HG3 LYS A 84 14.305 -9.909 -8.273 1.00 0.00 H new ATOM 0 HD2 LYS A 84 16.338 -8.299 -7.965 1.00 0.00 H new ATOM 0 HD3 LYS A 84 15.352 -7.459 -6.785 1.00 0.00 H new ATOM 0 HE2 LYS A 84 15.122 -9.469 -5.422 1.00 0.00 H new ATOM 0 HE3 LYS A 84 15.829 -10.471 -6.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 17.427 -9.979 -4.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 17.929 -9.281 -6.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 17.244 -8.310 -5.189 1.00 0.00 H new ATOM 1339 N CYS A 85 11.293 -6.168 -9.561 1.00 0.00 N ATOM 1340 CA CYS A 85 10.393 -5.278 -8.823 1.00 0.00 C ATOM 1341 C CYS A 85 8.935 -5.661 -9.046 1.00 0.00 C ATOM 1342 O CYS A 85 8.174 -5.839 -8.096 1.00 0.00 O ATOM 1343 CB CYS A 85 10.588 -3.827 -9.263 1.00 0.00 C ATOM 1344 SG CYS A 85 12.166 -3.209 -8.625 1.00 0.00 S ATOM 0 H CYS A 85 11.540 -5.851 -10.498 1.00 0.00 H new ATOM 0 HA CYS A 85 10.635 -5.380 -7.765 1.00 0.00 H new ATOM 0 HB2 CYS A 85 10.572 -3.761 -10.351 1.00 0.00 H new ATOM 0 HB3 CYS A 85 9.768 -3.211 -8.894 1.00 0.00 H new ATOM 1349 N ALA A 86 8.548 -5.775 -10.314 1.00 0.00 N ATOM 1350 CA ALA A 86 7.168 -6.120 -10.656 1.00 0.00 C ATOM 1351 C ALA A 86 6.935 -7.640 -10.642 1.00 0.00 C ATOM 1352 O ALA A 86 6.315 -8.194 -11.551 1.00 0.00 O ATOM 1353 CB ALA A 86 6.827 -5.574 -12.045 1.00 0.00 C ATOM 0 H ALA A 86 9.163 -5.635 -11.116 1.00 0.00 H new ATOM 0 HA ALA A 86 6.522 -5.671 -9.902 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.798 -5.833 -12.295 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.939 -4.490 -12.047 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.501 -6.010 -12.783 1.00 0.00 H new ATOM 1359 N VAL A 87 7.418 -8.311 -9.595 1.00 0.00 N ATOM 1360 CA VAL A 87 7.237 -9.756 -9.485 1.00 0.00 C ATOM 1361 C VAL A 87 5.752 -10.102 -9.379 1.00 0.00 C ATOM 1362 O VAL A 87 5.008 -9.486 -8.617 1.00 0.00 O ATOM 1363 CB VAL A 87 7.968 -10.303 -8.253 1.00 0.00 C ATOM 1364 CG1 VAL A 87 9.477 -10.230 -8.484 1.00 0.00 C ATOM 1365 CG2 VAL A 87 7.604 -9.471 -7.018 1.00 0.00 C ATOM 0 H VAL A 87 7.930 -7.884 -8.823 1.00 0.00 H new ATOM 0 HA VAL A 87 7.654 -10.213 -10.382 1.00 0.00 H new ATOM 0 HB VAL A 87 7.669 -11.339 -8.090 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.998 -10.618 -7.609 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.741 -10.826 -9.358 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.770 -9.193 -8.650 1.00 0.00 H new ATOM 0 HG21 VAL A 87 8.127 -9.865 -6.147 1.00 0.00 H new ATOM 0 HG22 VAL A 87 7.898 -8.434 -7.179 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.528 -9.522 -6.849 1.00 0.00 H new ATOM 1375 N LYS A 88 5.330 -11.100 -10.151 1.00 0.00 N ATOM 1376 CA LYS A 88 3.931 -11.524 -10.128 1.00 0.00 C ATOM 1377 C LYS A 88 3.593 -12.131 -8.769 1.00 0.00 C ATOM 1378 O LYS A 88 4.152 -13.153 -8.372 1.00 0.00 O ATOM 1379 CB LYS A 88 3.651 -12.555 -11.227 1.00 0.00 C ATOM 1380 CG LYS A 88 4.711 -13.662 -11.200 1.00 0.00 C ATOM 1381 CD LYS A 88 5.701 -13.463 -12.350 1.00 0.00 C ATOM 1382 CE LYS A 88 7.051 -14.076 -11.972 1.00 0.00 C ATOM 1383 NZ LYS A 88 7.918 -14.265 -13.170 1.00 0.00 N ATOM 0 H LYS A 88 5.926 -11.624 -10.792 1.00 0.00 H new ATOM 0 HA LYS A 88 3.309 -10.646 -10.305 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.660 -12.987 -11.086 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.650 -12.067 -12.202 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.240 -13.648 -10.247 1.00 0.00 H new ATOM 0 HG3 LYS A 88 4.233 -14.638 -11.285 1.00 0.00 H new ATOM 0 HD2 LYS A 88 5.319 -13.930 -13.258 1.00 0.00 H new ATOM 0 HD3 LYS A 88 5.819 -12.401 -12.563 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.557 -13.431 -11.253 1.00 0.00 H new ATOM 0 HE3 LYS A 88 6.892 -15.036 -11.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 8.825 -14.682 -12.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 7.445 -14.900 -13.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.089 -13.345 -13.623 1.00 0.00 H new ATOM 1397 N LYS A 89 2.677 -11.484 -8.053 1.00 0.00 N ATOM 1398 CA LYS A 89 2.280 -11.963 -6.732 1.00 0.00 C ATOM 1399 C LYS A 89 0.987 -12.769 -6.811 1.00 0.00 C ATOM 1400 O LYS A 89 0.446 -13.004 -7.891 1.00 0.00 O ATOM 1401 CB LYS A 89 2.077 -10.785 -5.776 1.00 0.00 C ATOM 1402 CG LYS A 89 3.378 -9.989 -5.663 1.00 0.00 C ATOM 1403 CD LYS A 89 4.446 -10.849 -4.984 1.00 0.00 C ATOM 1404 CE LYS A 89 5.509 -9.945 -4.358 1.00 0.00 C ATOM 1405 NZ LYS A 89 5.200 -9.651 -2.930 1.00 0.00 N ATOM 0 H LYS A 89 2.200 -10.636 -8.361 1.00 0.00 H new ATOM 0 HA LYS A 89 3.078 -12.605 -6.358 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.275 -10.142 -6.139 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.774 -11.148 -4.794 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.717 -9.684 -6.653 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.210 -9.078 -5.089 1.00 0.00 H new ATOM 0 HD2 LYS A 89 3.990 -11.476 -4.218 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.905 -11.518 -5.711 1.00 0.00 H new ATOM 0 HE2 LYS A 89 6.485 -10.425 -4.429 1.00 0.00 H new ATOM 0 HE3 LYS A 89 5.571 -9.012 -4.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 5.939 -9.036 -2.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 4.280 -9.171 -2.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 5.165 -10.540 -2.392 1.00 0.00 H new ATOM 1419 N ASP A 90 0.499 -13.190 -5.646 1.00 0.00 N ATOM 1420 CA ASP A 90 -0.731 -13.974 -5.578 1.00 0.00 C ATOM 1421 C ASP A 90 -1.942 -13.145 -6.012 1.00 0.00 C ATOM 1422 O ASP A 90 -2.983 -13.695 -6.372 1.00 0.00 O ATOM 1423 CB ASP A 90 -0.962 -14.479 -4.152 1.00 0.00 C ATOM 1424 CG ASP A 90 -0.949 -13.299 -3.185 1.00 0.00 C ATOM 1425 OD1 ASP A 90 0.132 -12.835 -2.863 1.00 0.00 O ATOM 1426 OD2 ASP A 90 -2.021 -12.878 -2.783 1.00 0.00 O ATOM 0 H ASP A 90 0.933 -13.003 -4.742 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.618 -14.819 -6.257 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -1.916 -15.003 -4.091 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.187 -15.195 -3.879 1.00 0.00 H new ATOM 1431 N THR A 91 -1.803 -11.820 -5.975 1.00 0.00 N ATOM 1432 CA THR A 91 -2.902 -10.943 -6.369 1.00 0.00 C ATOM 1433 C THR A 91 -2.364 -9.699 -7.077 1.00 0.00 C ATOM 1434 O THR A 91 -1.216 -9.306 -6.865 1.00 0.00 O ATOM 1435 CB THR A 91 -3.709 -10.511 -5.143 1.00 0.00 C ATOM 1436 OG1 THR A 91 -2.823 -10.256 -4.062 1.00 0.00 O ATOM 1437 CG2 THR A 91 -4.685 -11.623 -4.754 1.00 0.00 C ATOM 0 H THR A 91 -0.954 -11.337 -5.681 1.00 0.00 H new ATOM 0 HA THR A 91 -3.548 -11.497 -7.050 1.00 0.00 H new ATOM 0 HB THR A 91 -4.269 -9.605 -5.376 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.550 -11.105 -3.655 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.259 -11.314 -3.881 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.364 -11.818 -5.584 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.128 -12.530 -4.520 1.00 0.00 H new ATOM 1445 N PRO A 92 -3.182 -9.067 -7.929 1.00 0.00 N ATOM 1446 CA PRO A 92 -2.768 -7.866 -8.668 1.00 0.00 C ATOM 1447 C PRO A 92 -2.637 -6.638 -7.773 1.00 0.00 C ATOM 1448 O PRO A 92 -1.677 -5.875 -7.883 1.00 0.00 O ATOM 1449 CB PRO A 92 -3.879 -7.661 -9.693 1.00 0.00 C ATOM 1450 CG PRO A 92 -5.076 -8.325 -9.107 1.00 0.00 C ATOM 1451 CD PRO A 92 -4.569 -9.451 -8.253 1.00 0.00 C ATOM 0 HA PRO A 92 -1.782 -7.997 -9.114 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -4.063 -6.601 -9.868 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -3.615 -8.102 -10.654 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.658 -7.620 -8.513 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -5.734 -8.700 -9.891 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.170 -9.568 -7.351 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -4.605 -10.401 -8.786 1.00 0.00 H new ATOM 1459 N GLN A 93 -3.612 -6.449 -6.885 1.00 0.00 N ATOM 1460 CA GLN A 93 -3.587 -5.301 -5.979 1.00 0.00 C ATOM 1461 C GLN A 93 -2.303 -5.289 -5.147 1.00 0.00 C ATOM 1462 O GLN A 93 -1.836 -4.234 -4.720 1.00 0.00 O ATOM 1463 CB GLN A 93 -4.809 -5.304 -5.052 1.00 0.00 C ATOM 1464 CG GLN A 93 -4.812 -6.567 -4.182 1.00 0.00 C ATOM 1465 CD GLN A 93 -6.203 -7.195 -4.182 1.00 0.00 C ATOM 1466 OE1 GLN A 93 -6.755 -7.496 -3.123 1.00 0.00 O ATOM 1467 NE2 GLN A 93 -6.808 -7.412 -5.317 1.00 0.00 N ATOM 0 H GLN A 93 -4.417 -7.065 -6.774 1.00 0.00 H new ATOM 0 HA GLN A 93 -3.616 -4.399 -6.591 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -4.796 -4.417 -4.418 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -5.723 -5.259 -5.644 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.081 -7.281 -4.561 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -4.516 -6.318 -3.163 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -6.351 -7.163 -6.194 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -7.738 -7.831 -5.327 1.00 0.00 H new ATOM 1476 N HIS A 94 -1.728 -6.471 -4.937 1.00 0.00 N ATOM 1477 CA HIS A 94 -0.488 -6.571 -4.177 1.00 0.00 C ATOM 1478 C HIS A 94 0.662 -6.074 -5.039 1.00 0.00 C ATOM 1479 O HIS A 94 1.329 -5.091 -4.711 1.00 0.00 O ATOM 1480 CB HIS A 94 -0.222 -8.020 -3.763 1.00 0.00 C ATOM 1481 CG HIS A 94 0.520 -8.043 -2.456 1.00 0.00 C ATOM 1482 ND1 HIS A 94 0.003 -8.652 -1.323 1.00 0.00 N ATOM 1483 CD2 HIS A 94 1.741 -7.535 -2.084 1.00 0.00 C ATOM 1484 CE1 HIS A 94 0.902 -8.498 -0.333 1.00 0.00 C ATOM 1485 NE2 HIS A 94 1.980 -7.824 -0.744 1.00 0.00 N ATOM 0 H HIS A 94 -2.095 -7.360 -5.277 1.00 0.00 H new ATOM 0 HA HIS A 94 -0.576 -5.963 -3.276 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -1.164 -8.560 -3.668 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.360 -8.528 -4.532 1.00 0.00 H new ATOM 0 HD2 HIS A 94 2.413 -6.994 -2.733 1.00 0.00 H new ATOM 0 HE1 HIS A 94 0.768 -8.873 0.671 1.00 0.00 H new ATOM 0 HE2 HIS A 94 2.802 -7.575 -0.194 1.00 0.00 H new ATOM 1493 N SER A 95 0.873 -6.755 -6.167 1.00 0.00 N ATOM 1494 CA SER A 95 1.926 -6.375 -7.113 1.00 0.00 C ATOM 1495 C SER A 95 1.850 -4.882 -7.449 1.00 0.00 C ATOM 1496 O SER A 95 2.852 -4.256 -7.794 1.00 0.00 O ATOM 1497 CB SER A 95 1.798 -7.183 -8.404 1.00 0.00 C ATOM 1498 OG SER A 95 0.586 -6.830 -9.060 1.00 0.00 O ATOM 0 H SER A 95 0.330 -7.571 -6.448 1.00 0.00 H new ATOM 0 HA SER A 95 2.886 -6.585 -6.641 1.00 0.00 H new ATOM 0 HB2 SER A 95 2.649 -6.986 -9.056 1.00 0.00 H new ATOM 0 HB3 SER A 95 1.807 -8.250 -8.181 1.00 0.00 H new ATOM 0 HG SER A 95 -0.065 -6.517 -8.398 1.00 0.00 H new ATOM 1504 N SER A 96 0.641 -4.321 -7.347 1.00 0.00 N ATOM 1505 CA SER A 96 0.428 -2.903 -7.641 1.00 0.00 C ATOM 1506 C SER A 96 1.358 -2.028 -6.805 1.00 0.00 C ATOM 1507 O SER A 96 2.184 -1.287 -7.339 1.00 0.00 O ATOM 1508 CB SER A 96 -1.020 -2.510 -7.345 1.00 0.00 C ATOM 1509 OG SER A 96 -1.300 -1.256 -7.952 1.00 0.00 O ATOM 0 H SER A 96 -0.200 -4.825 -7.065 1.00 0.00 H new ATOM 0 HA SER A 96 0.643 -2.748 -8.698 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.701 -3.271 -7.726 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.180 -2.450 -6.268 1.00 0.00 H new ATOM 0 HG SER A 96 -1.246 -0.547 -7.278 1.00 0.00 H new ATOM 1515 N ALA A 97 1.216 -2.124 -5.484 1.00 0.00 N ATOM 1516 CA ALA A 97 2.050 -1.338 -4.576 1.00 0.00 C ATOM 1517 C ALA A 97 3.527 -1.659 -4.793 1.00 0.00 C ATOM 1518 O ALA A 97 4.394 -0.803 -4.623 1.00 0.00 O ATOM 1519 CB ALA A 97 1.683 -1.634 -3.120 1.00 0.00 C ATOM 0 H ALA A 97 0.539 -2.731 -5.022 1.00 0.00 H new ATOM 0 HA ALA A 97 1.874 -0.283 -4.787 1.00 0.00 H new ATOM 0 HB1 ALA A 97 2.314 -1.040 -2.458 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.637 -1.379 -2.949 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.837 -2.693 -2.914 1.00 0.00 H new ATOM 1525 N ASP A 98 3.801 -2.906 -5.168 1.00 0.00 N ATOM 1526 CA ASP A 98 5.176 -3.337 -5.406 1.00 0.00 C ATOM 1527 C ASP A 98 5.814 -2.514 -6.521 1.00 0.00 C ATOM 1528 O ASP A 98 7.001 -2.193 -6.471 1.00 0.00 O ATOM 1529 CB ASP A 98 5.217 -4.818 -5.792 1.00 0.00 C ATOM 1530 CG ASP A 98 5.359 -5.668 -4.534 1.00 0.00 C ATOM 1531 OD1 ASP A 98 4.707 -5.353 -3.553 1.00 0.00 O ATOM 1532 OD2 ASP A 98 6.120 -6.622 -4.571 1.00 0.00 O ATOM 0 H ASP A 98 3.097 -3.630 -5.313 1.00 0.00 H new ATOM 0 HA ASP A 98 5.735 -3.187 -4.482 1.00 0.00 H new ATOM 0 HB2 ASP A 98 4.307 -5.091 -6.327 1.00 0.00 H new ATOM 0 HB3 ASP A 98 6.052 -5.006 -6.467 1.00 0.00 H new ATOM 1537 N PHE A 99 5.014 -2.175 -7.530 1.00 0.00 N ATOM 1538 CA PHE A 99 5.522 -1.386 -8.651 1.00 0.00 C ATOM 1539 C PHE A 99 5.911 0.012 -8.180 1.00 0.00 C ATOM 1540 O PHE A 99 7.078 0.399 -8.235 1.00 0.00 O ATOM 1541 CB PHE A 99 4.469 -1.259 -9.763 1.00 0.00 C ATOM 1542 CG PHE A 99 3.835 -2.603 -10.075 1.00 0.00 C ATOM 1543 CD1 PHE A 99 4.608 -3.777 -10.100 1.00 0.00 C ATOM 1544 CD2 PHE A 99 2.465 -2.669 -10.350 1.00 0.00 C ATOM 1545 CE1 PHE A 99 4.005 -5.005 -10.396 1.00 0.00 C ATOM 1546 CE2 PHE A 99 1.864 -3.898 -10.647 1.00 0.00 C ATOM 1547 CZ PHE A 99 2.635 -5.066 -10.670 1.00 0.00 C ATOM 0 H PHE A 99 4.028 -2.429 -7.595 1.00 0.00 H new ATOM 0 HA PHE A 99 6.397 -1.902 -9.047 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.697 -0.552 -9.458 1.00 0.00 H new ATOM 0 HB3 PHE A 99 4.933 -0.855 -10.663 1.00 0.00 H new ATOM 0 HD1 PHE A 99 5.667 -3.731 -9.891 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.869 -1.769 -10.333 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.599 -5.907 -10.413 1.00 0.00 H new ATOM 0 HE2 PHE A 99 0.806 -3.945 -10.858 1.00 0.00 H new ATOM 0 HZ PHE A 99 2.172 -6.014 -10.899 1.00 0.00 H new ATOM 1557 N PHE A 100 4.917 0.765 -7.719 1.00 0.00 N ATOM 1558 CA PHE A 100 5.161 2.124 -7.240 1.00 0.00 C ATOM 1559 C PHE A 100 5.824 2.094 -5.863 1.00 0.00 C ATOM 1560 O PHE A 100 5.208 2.424 -4.849 1.00 0.00 O ATOM 1561 CB PHE A 100 3.846 2.904 -7.152 1.00 0.00 C ATOM 1562 CG PHE A 100 3.466 3.407 -8.525 1.00 0.00 C ATOM 1563 CD1 PHE A 100 4.265 4.359 -9.168 1.00 0.00 C ATOM 1564 CD2 PHE A 100 2.315 2.919 -9.154 1.00 0.00 C ATOM 1565 CE1 PHE A 100 3.913 4.824 -10.440 1.00 0.00 C ATOM 1566 CE2 PHE A 100 1.962 3.385 -10.427 1.00 0.00 C ATOM 1567 CZ PHE A 100 2.761 4.338 -11.069 1.00 0.00 C ATOM 0 H PHE A 100 3.944 0.463 -7.666 1.00 0.00 H new ATOM 0 HA PHE A 100 5.826 2.618 -7.948 1.00 0.00 H new ATOM 0 HB2 PHE A 100 3.057 2.264 -6.756 1.00 0.00 H new ATOM 0 HB3 PHE A 100 3.953 3.742 -6.463 1.00 0.00 H new ATOM 0 HD1 PHE A 100 5.153 4.735 -8.682 1.00 0.00 H new ATOM 0 HD2 PHE A 100 1.699 2.183 -8.658 1.00 0.00 H new ATOM 0 HE1 PHE A 100 4.530 5.558 -10.936 1.00 0.00 H new ATOM 0 HE2 PHE A 100 1.074 3.009 -10.913 1.00 0.00 H new ATOM 0 HZ PHE A 100 2.489 4.698 -12.050 1.00 0.00 H new ATOM 1577 N LYS A 101 7.091 1.688 -5.843 1.00 0.00 N ATOM 1578 CA LYS A 101 7.847 1.610 -4.593 1.00 0.00 C ATOM 1579 C LYS A 101 9.250 1.076 -4.869 1.00 0.00 C ATOM 1580 O LYS A 101 10.251 1.746 -4.613 1.00 0.00 O ATOM 1581 CB LYS A 101 7.141 0.679 -3.589 1.00 0.00 C ATOM 1582 CG LYS A 101 6.519 1.502 -2.457 1.00 0.00 C ATOM 1583 CD LYS A 101 5.327 0.743 -1.871 1.00 0.00 C ATOM 1584 CE LYS A 101 4.247 1.737 -1.438 1.00 0.00 C ATOM 1585 NZ LYS A 101 3.197 1.075 -0.613 1.00 0.00 N ATOM 0 H LYS A 101 7.615 1.409 -6.673 1.00 0.00 H new ATOM 0 HA LYS A 101 7.909 2.611 -4.167 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.368 0.102 -4.097 1.00 0.00 H new ATOM 0 HB3 LYS A 101 7.855 -0.036 -3.180 1.00 0.00 H new ATOM 0 HG2 LYS A 101 7.260 1.691 -1.681 1.00 0.00 H new ATOM 0 HG3 LYS A 101 6.196 2.473 -2.833 1.00 0.00 H new ATOM 0 HD2 LYS A 101 4.924 0.052 -2.611 1.00 0.00 H new ATOM 0 HD3 LYS A 101 5.648 0.145 -1.018 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.703 2.546 -0.868 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.790 2.186 -2.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.764 1.774 0.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 2.467 0.675 -1.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.627 0.314 -0.050 1.00 0.00 H new ATOM 1599 N CYS A 102 9.304 -0.147 -5.398 1.00 0.00 N ATOM 1600 CA CYS A 102 10.579 -0.797 -5.718 1.00 0.00 C ATOM 1601 C CYS A 102 11.488 0.121 -6.539 1.00 0.00 C ATOM 1602 O CYS A 102 12.665 0.294 -6.222 1.00 0.00 O ATOM 1603 CB CYS A 102 10.327 -2.079 -6.512 1.00 0.00 C ATOM 1604 SG CYS A 102 11.861 -3.031 -6.637 1.00 0.00 S ATOM 0 H CYS A 102 8.481 -0.709 -5.615 1.00 0.00 H new ATOM 0 HA CYS A 102 11.075 -1.027 -4.775 1.00 0.00 H new ATOM 0 HB2 CYS A 102 9.556 -2.675 -6.023 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.957 -1.835 -7.508 1.00 0.00 H new ATOM 1609 N VAL A 103 10.928 0.701 -7.599 1.00 0.00 N ATOM 1610 CA VAL A 103 11.697 1.595 -8.465 1.00 0.00 C ATOM 1611 C VAL A 103 12.270 2.765 -7.665 1.00 0.00 C ATOM 1612 O VAL A 103 13.337 3.290 -7.984 1.00 0.00 O ATOM 1613 CB VAL A 103 10.815 2.138 -9.593 1.00 0.00 C ATOM 1614 CG1 VAL A 103 10.347 0.979 -10.475 1.00 0.00 C ATOM 1615 CG2 VAL A 103 9.595 2.847 -8.996 1.00 0.00 C ATOM 0 H VAL A 103 9.955 0.571 -7.878 1.00 0.00 H new ATOM 0 HA VAL A 103 12.518 1.020 -8.893 1.00 0.00 H new ATOM 0 HB VAL A 103 11.388 2.846 -10.192 1.00 0.00 H new ATOM 0 HG11 VAL A 103 9.719 1.364 -11.278 1.00 0.00 H new ATOM 0 HG12 VAL A 103 11.213 0.474 -10.902 1.00 0.00 H new ATOM 0 HG13 VAL A 103 9.775 0.272 -9.874 1.00 0.00 H new ATOM 0 HG21 VAL A 103 8.969 3.233 -9.800 1.00 0.00 H new ATOM 0 HG22 VAL A 103 9.021 2.141 -8.396 1.00 0.00 H new ATOM 0 HG23 VAL A 103 9.926 3.673 -8.366 1.00 0.00 H new ATOM 1625 N HIS A 104 11.551 3.163 -6.619 1.00 0.00 N ATOM 1626 CA HIS A 104 12.000 4.266 -5.774 1.00 0.00 C ATOM 1627 C HIS A 104 12.956 3.752 -4.701 1.00 0.00 C ATOM 1628 O HIS A 104 13.890 4.443 -4.296 1.00 0.00 O ATOM 1629 CB HIS A 104 10.807 4.944 -5.095 1.00 0.00 C ATOM 1630 CG HIS A 104 10.297 6.057 -5.968 1.00 0.00 C ATOM 1631 ND1 HIS A 104 10.400 6.020 -7.349 1.00 0.00 N ATOM 1632 CD2 HIS A 104 9.676 7.245 -5.669 1.00 0.00 C ATOM 1633 CE1 HIS A 104 9.855 7.153 -7.828 1.00 0.00 C ATOM 1634 NE2 HIS A 104 9.398 7.936 -6.846 1.00 0.00 N ATOM 0 H HIS A 104 10.665 2.744 -6.338 1.00 0.00 H new ATOM 0 HA HIS A 104 12.513 4.990 -6.407 1.00 0.00 H new ATOM 0 HB2 HIS A 104 10.015 4.216 -4.916 1.00 0.00 H new ATOM 0 HB3 HIS A 104 11.104 5.337 -4.123 1.00 0.00 H new ATOM 0 HD2 HIS A 104 9.439 7.591 -4.673 1.00 0.00 H new ATOM 0 HE1 HIS A 104 9.794 7.400 -8.878 1.00 0.00 H new ATOM 0 HE2 HIS A 104 8.943 8.844 -6.939 1.00 0.00 H new ATOM 1642 N ASP A 105 12.708 2.526 -4.246 1.00 0.00 N ATOM 1643 CA ASP A 105 13.550 1.917 -3.218 1.00 0.00 C ATOM 1644 C ASP A 105 14.989 1.742 -3.709 1.00 0.00 C ATOM 1645 O ASP A 105 15.905 1.548 -2.909 1.00 0.00 O ATOM 1646 CB ASP A 105 12.994 0.547 -2.820 1.00 0.00 C ATOM 1647 CG ASP A 105 11.563 0.705 -2.317 1.00 0.00 C ATOM 1648 OD1 ASP A 105 11.289 1.704 -1.675 1.00 0.00 O ATOM 1649 OD2 ASP A 105 10.764 -0.178 -2.581 1.00 0.00 O ATOM 0 H ASP A 105 11.939 1.939 -4.569 1.00 0.00 H new ATOM 0 HA ASP A 105 13.549 2.585 -2.357 1.00 0.00 H new ATOM 0 HB2 ASP A 105 13.018 -0.129 -3.675 1.00 0.00 H new ATOM 0 HB3 ASP A 105 13.616 0.102 -2.044 1.00 0.00 H new ATOM 1654 N ASN A 106 15.187 1.806 -5.027 1.00 0.00 N ATOM 1655 CA ASN A 106 16.526 1.648 -5.590 1.00 0.00 C ATOM 1656 C ASN A 106 17.240 2.993 -5.655 1.00 0.00 C ATOM 1657 O ASN A 106 16.622 4.048 -5.512 1.00 0.00 O ATOM 1658 CB ASN A 106 16.448 1.054 -6.997 1.00 0.00 C ATOM 1659 CG ASN A 106 17.755 0.338 -7.321 1.00 0.00 C ATOM 1660 OD1 ASN A 106 18.322 -0.347 -6.470 1.00 0.00 O ATOM 1661 ND2 ASN A 106 18.271 0.458 -8.513 1.00 0.00 N ATOM 0 H ASN A 106 14.449 1.964 -5.714 1.00 0.00 H new ATOM 0 HA ASN A 106 17.085 0.973 -4.943 1.00 0.00 H new ATOM 0 HB2 ASN A 106 15.613 0.356 -7.063 1.00 0.00 H new ATOM 0 HB3 ASN A 106 16.263 1.843 -7.726 1.00 0.00 H new ATOM 0 HD21 ASN A 106 19.145 -0.016 -8.740 1.00 0.00 H new ATOM 0 HD22 ASN A 106 17.800 1.026 -9.218 1.00 0.00 H new ATOM 1668 N ARG A 107 18.552 2.942 -5.874 1.00 0.00 N ATOM 1669 CA ARG A 107 19.351 4.163 -5.957 1.00 0.00 C ATOM 1670 C ARG A 107 18.866 5.047 -7.102 1.00 0.00 C ATOM 1671 O ARG A 107 18.524 4.559 -8.180 1.00 0.00 O ATOM 1672 CB ARG A 107 20.826 3.822 -6.182 1.00 0.00 C ATOM 1673 CG ARG A 107 21.457 3.387 -4.857 1.00 0.00 C ATOM 1674 CD ARG A 107 22.856 2.824 -5.118 1.00 0.00 C ATOM 1675 NE ARG A 107 22.805 1.374 -5.283 1.00 0.00 N ATOM 1676 CZ ARG A 107 22.719 0.824 -6.490 1.00 0.00 C ATOM 1677 NH1 ARG A 107 23.787 0.702 -7.230 1.00 0.00 N ATOM 1678 NH2 ARG A 107 21.565 0.407 -6.936 1.00 0.00 N ATOM 0 H ARG A 107 19.080 2.078 -5.996 1.00 0.00 H new ATOM 0 HA ARG A 107 19.240 4.700 -5.015 1.00 0.00 H new ATOM 0 HB2 ARG A 107 20.918 3.025 -6.920 1.00 0.00 H new ATOM 0 HB3 ARG A 107 21.354 4.688 -6.581 1.00 0.00 H new ATOM 0 HG2 ARG A 107 21.516 4.235 -4.175 1.00 0.00 H new ATOM 0 HG3 ARG A 107 20.834 2.633 -4.376 1.00 0.00 H new ATOM 0 HD2 ARG A 107 23.277 3.282 -6.013 1.00 0.00 H new ATOM 0 HD3 ARG A 107 23.516 3.078 -4.289 1.00 0.00 H new ATOM 0 HE ARG A 107 22.836 0.774 -4.459 1.00 0.00 H new ATOM 0 HH11 ARG A 107 24.688 1.029 -6.882 1.00 0.00 H new ATOM 0 HH12 ARG A 107 23.720 0.280 -8.156 1.00 0.00 H new ATOM 0 HH21 ARG A 107 20.730 0.503 -6.358 1.00 0.00 H new ATOM 0 HH22 ARG A 107 21.499 -0.015 -7.862 1.00 0.00 H new ATOM 1692 N SER A 108 18.841 6.353 -6.856 1.00 0.00 N ATOM 1693 CA SER A 108 18.397 7.303 -7.872 1.00 0.00 C ATOM 1694 C SER A 108 18.991 8.683 -7.605 1.00 0.00 C ATOM 1695 O SER A 108 19.798 9.123 -8.406 1.00 0.00 O ATOM 1696 CB SER A 108 16.872 7.409 -7.876 1.00 0.00 C ATOM 1697 OG SER A 108 16.414 7.632 -6.548 1.00 0.00 O ATOM 1698 OXT SER A 108 18.627 9.279 -6.604 1.00 0.00 O ATOM 0 H SER A 108 19.120 6.776 -5.971 1.00 0.00 H new ATOM 0 HA SER A 108 18.737 6.942 -8.843 1.00 0.00 H new ATOM 0 HB2 SER A 108 16.554 8.225 -8.525 1.00 0.00 H new ATOM 0 HB3 SER A 108 16.433 6.495 -8.276 1.00 0.00 H new ATOM 0 HG SER A 108 16.999 8.282 -6.105 1.00 0.00 H new TER 1704 SER A 108