USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 732 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 HIS : no HD1:sc= -0.219 K(o=-0.22,f=-1) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 180:sc= -0.572 USER MOD Single : A 29 MET CE :methyl 151:sc= -0.0024 (180deg=-0.589) USER MOD Single : A 31 CYS SG : rot -15:sc= 0.982 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc=-0.00981 USER MOD Single : A 38 THR OG1 : rot 37:sc= 0.104 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.113 K(o=-0.11,f=-2.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -0.0155 X(o=-0.016,f=-0.18) USER MOD Single : A 57 LYS NZ :NH3+ -155:sc= 0.00896 (180deg=0) USER MOD Single : A 58 MET CE :methyl 177:sc= -0.0078 (180deg=-0.029) USER MOD Single : A 63 ASN : amide:sc= -2.17! C(o=-2.2!,f=-4.3!) USER MOD Single : A 66 HIS : no HE2:sc= -7.16! C(o=-7.2!,f=-7.8!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot -8:sc= 1.19 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 84:sc= -1.33 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.714 K(o=-0.71,f=-11!) USER MOD Single : A 91 GLN : amide:sc= -3.38! C(o=-3.4!,f=-3.1!) USER MOD Single : A 92 ASN : amide:sc= -1.51 K(o=-1.5,f=-4.9!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 3.036 25.477 0.132 1.00 0.00 N ATOM 60 CA GLY A 7 2.898 24.068 0.450 1.00 0.00 C ATOM 61 C GLY A 7 4.224 23.334 0.419 1.00 0.00 C ATOM 62 O GLY A 7 5.280 23.951 0.274 1.00 0.00 O ATOM 0 HA2 GLY A 7 2.452 23.964 1.439 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.213 23.604 -0.259 1.00 0.00 H new ATOM 66 N PHE A 8 4.172 22.014 0.558 1.00 0.00 N ATOM 67 CA PHE A 8 5.378 21.195 0.548 1.00 0.00 C ATOM 68 C PHE A 8 5.171 19.930 -0.280 1.00 0.00 C ATOM 69 O PHE A 8 4.158 19.244 -0.141 1.00 0.00 O ATOM 70 CB PHE A 8 5.780 20.823 1.977 1.00 0.00 C ATOM 71 CG PHE A 8 5.450 21.884 2.987 1.00 0.00 C ATOM 72 CD1 PHE A 8 6.284 22.976 3.162 1.00 0.00 C ATOM 73 CD2 PHE A 8 4.305 21.789 3.762 1.00 0.00 C ATOM 74 CE1 PHE A 8 5.984 23.954 4.092 1.00 0.00 C ATOM 75 CE2 PHE A 8 3.999 22.764 4.694 1.00 0.00 C ATOM 76 CZ PHE A 8 4.839 23.848 4.858 1.00 0.00 C ATOM 0 H PHE A 8 3.307 21.488 0.679 1.00 0.00 H new ATOM 0 HA PHE A 8 6.178 21.778 0.093 1.00 0.00 H new ATOM 0 HB2 PHE A 8 5.279 19.897 2.258 1.00 0.00 H new ATOM 0 HB3 PHE A 8 6.852 20.626 2.005 1.00 0.00 H new ATOM 0 HD1 PHE A 8 7.179 23.065 2.565 1.00 0.00 H new ATOM 0 HD2 PHE A 8 3.644 20.944 3.637 1.00 0.00 H new ATOM 0 HE1 PHE A 8 6.644 24.800 4.220 1.00 0.00 H new ATOM 0 HE2 PHE A 8 3.104 22.678 5.293 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.601 24.612 5.584 1.00 0.00 H new ATOM 86 N ARG A 9 6.137 19.628 -1.141 1.00 0.00 N ATOM 87 CA ARG A 9 6.060 18.447 -1.992 1.00 0.00 C ATOM 88 C ARG A 9 5.833 17.190 -1.159 1.00 0.00 C ATOM 89 O ARG A 9 6.254 17.095 -0.005 1.00 0.00 O ATOM 90 CB ARG A 9 7.341 18.302 -2.816 1.00 0.00 C ATOM 91 CG ARG A 9 7.294 19.030 -4.149 1.00 0.00 C ATOM 92 CD ARG A 9 8.688 19.404 -4.629 1.00 0.00 C ATOM 93 NE ARG A 9 8.667 20.555 -5.528 1.00 0.00 N ATOM 94 CZ ARG A 9 9.632 20.824 -6.400 1.00 0.00 C ATOM 95 NH1 ARG A 9 10.689 20.029 -6.490 1.00 0.00 N ATOM 96 NH2 ARG A 9 9.540 21.890 -7.185 1.00 0.00 N ATOM 0 H ARG A 9 6.982 20.185 -1.268 1.00 0.00 H new ATOM 0 HA ARG A 9 5.214 18.571 -2.667 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.182 18.681 -2.234 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.529 17.244 -2.996 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.809 18.398 -4.893 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.688 19.931 -4.052 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.320 19.627 -3.769 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.136 18.552 -5.141 1.00 0.00 H new ATOM 0 HE ARG A 9 7.867 21.187 -5.484 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.763 19.208 -5.889 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.429 20.238 -7.161 1.00 0.00 H new ATOM 0 HH21 ARG A 9 8.728 22.503 -7.119 1.00 0.00 H new ATOM 0 HH22 ARG A 9 10.282 22.096 -7.854 1.00 0.00 H new ATOM 110 N PRO A 10 5.152 16.200 -1.754 1.00 0.00 N ATOM 111 CA PRO A 10 4.853 14.930 -1.085 1.00 0.00 C ATOM 112 C PRO A 10 6.100 14.078 -0.876 1.00 0.00 C ATOM 113 O PRO A 10 6.614 13.471 -1.816 1.00 0.00 O ATOM 114 CB PRO A 10 3.888 14.238 -2.051 1.00 0.00 C ATOM 115 CG PRO A 10 4.204 14.822 -3.385 1.00 0.00 C ATOM 116 CD PRO A 10 4.620 16.244 -3.127 1.00 0.00 C ATOM 0 HA PRO A 10 4.442 15.082 -0.087 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.032 13.157 -2.048 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.850 14.423 -1.774 1.00 0.00 H new ATOM 0 HG2 PRO A 10 5.002 14.265 -3.876 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.336 14.783 -4.044 1.00 0.00 H new ATOM 0 HD2 PRO A 10 5.374 16.578 -3.840 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.777 16.931 -3.210 1.00 0.00 H new ATOM 124 N HIS A 11 6.582 14.036 0.362 1.00 0.00 N ATOM 125 CA HIS A 11 7.769 13.256 0.695 1.00 0.00 C ATOM 126 C HIS A 11 7.422 12.119 1.651 1.00 0.00 C ATOM 127 O HIS A 11 6.932 12.351 2.756 1.00 0.00 O ATOM 128 CB HIS A 11 8.837 14.154 1.319 1.00 0.00 C ATOM 129 CG HIS A 11 9.811 13.415 2.184 1.00 0.00 C ATOM 130 ND1 HIS A 11 10.415 12.237 1.799 1.00 0.00 N ATOM 131 CD2 HIS A 11 10.287 13.695 3.420 1.00 0.00 C ATOM 132 CE1 HIS A 11 11.219 11.822 2.762 1.00 0.00 C ATOM 133 NE2 HIS A 11 11.160 12.689 3.757 1.00 0.00 N ATOM 0 H HIS A 11 6.169 14.533 1.151 1.00 0.00 H new ATOM 0 HA HIS A 11 8.160 12.825 -0.227 1.00 0.00 H new ATOM 0 HB2 HIS A 11 9.383 14.662 0.524 1.00 0.00 H new ATOM 0 HB3 HIS A 11 8.349 14.926 1.914 1.00 0.00 H new ATOM 0 HD2 HIS A 11 10.029 14.550 4.028 1.00 0.00 H new ATOM 0 HE1 HIS A 11 11.822 10.926 2.739 1.00 0.00 H new ATOM 0 HE2 HIS A 11 11.678 12.622 4.633 1.00 0.00 H new ATOM 141 N PHE A 12 7.678 10.889 1.217 1.00 0.00 N ATOM 142 CA PHE A 12 7.392 9.715 2.034 1.00 0.00 C ATOM 143 C PHE A 12 8.464 9.520 3.102 1.00 0.00 C ATOM 144 O PHE A 12 9.584 9.102 2.805 1.00 0.00 O ATOM 145 CB PHE A 12 7.298 8.466 1.155 1.00 0.00 C ATOM 146 CG PHE A 12 6.279 8.580 0.058 1.00 0.00 C ATOM 147 CD1 PHE A 12 4.941 8.318 0.308 1.00 0.00 C ATOM 148 CD2 PHE A 12 6.658 8.948 -1.223 1.00 0.00 C ATOM 149 CE1 PHE A 12 4.000 8.422 -0.700 1.00 0.00 C ATOM 150 CE2 PHE A 12 5.721 9.054 -2.234 1.00 0.00 C ATOM 151 CZ PHE A 12 4.391 8.790 -1.972 1.00 0.00 C ATOM 0 H PHE A 12 8.083 10.679 0.305 1.00 0.00 H new ATOM 0 HA PHE A 12 6.435 9.874 2.531 1.00 0.00 H new ATOM 0 HB2 PHE A 12 8.275 8.268 0.713 1.00 0.00 H new ATOM 0 HB3 PHE A 12 7.051 7.609 1.781 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.630 8.029 1.301 1.00 0.00 H new ATOM 0 HD2 PHE A 12 7.697 9.154 -1.434 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.960 8.216 -0.492 1.00 0.00 H new ATOM 0 HE2 PHE A 12 6.029 9.343 -3.228 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.658 8.871 -2.761 1.00 0.00 H new ATOM 161 N LEU A 13 8.113 9.827 4.346 1.00 0.00 N ATOM 162 CA LEU A 13 9.045 9.687 5.460 1.00 0.00 C ATOM 163 C LEU A 13 9.517 8.243 5.597 1.00 0.00 C ATOM 164 O LEU A 13 10.716 7.977 5.673 1.00 0.00 O ATOM 165 CB LEU A 13 8.386 10.146 6.762 1.00 0.00 C ATOM 166 CG LEU A 13 8.135 11.648 6.894 1.00 0.00 C ATOM 167 CD1 LEU A 13 7.195 12.130 5.800 1.00 0.00 C ATOM 168 CD2 LEU A 13 7.570 11.975 8.269 1.00 0.00 C ATOM 0 H LEU A 13 7.191 10.174 4.609 1.00 0.00 H new ATOM 0 HA LEU A 13 9.912 10.315 5.257 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.432 9.628 6.865 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.013 9.828 7.595 1.00 0.00 H new ATOM 0 HG LEU A 13 9.086 12.168 6.781 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.028 13.201 5.910 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.639 11.930 4.825 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.244 11.604 5.880 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.397 13.049 8.346 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.628 11.445 8.411 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.279 11.666 9.037 1.00 0.00 H new ATOM 180 N GLN A 14 8.565 7.315 5.625 1.00 0.00 N ATOM 181 CA GLN A 14 8.884 5.898 5.751 1.00 0.00 C ATOM 182 C GLN A 14 8.108 5.072 4.730 1.00 0.00 C ATOM 183 O GLN A 14 6.884 4.973 4.799 1.00 0.00 O ATOM 184 CB GLN A 14 8.572 5.406 7.165 1.00 0.00 C ATOM 185 CG GLN A 14 9.720 5.597 8.143 1.00 0.00 C ATOM 186 CD GLN A 14 9.505 4.855 9.447 1.00 0.00 C ATOM 187 OE1 GLN A 14 8.771 5.315 10.322 1.00 0.00 O ATOM 188 NE2 GLN A 14 10.146 3.700 9.585 1.00 0.00 N ATOM 0 H GLN A 14 7.568 7.519 5.562 1.00 0.00 H new ATOM 0 HA GLN A 14 9.950 5.774 5.558 1.00 0.00 H new ATOM 0 HB2 GLN A 14 7.695 5.934 7.539 1.00 0.00 H new ATOM 0 HB3 GLN A 14 8.313 4.348 7.124 1.00 0.00 H new ATOM 0 HG2 GLN A 14 10.646 5.253 7.682 1.00 0.00 H new ATOM 0 HG3 GLN A 14 9.843 6.660 8.350 1.00 0.00 H new ATOM 0 HE21 GLN A 14 10.745 3.356 8.834 1.00 0.00 H new ATOM 0 HE22 GLN A 14 10.040 3.157 10.442 1.00 0.00 H new ATOM 197 N ALA A 15 8.829 4.482 3.782 1.00 0.00 N ATOM 198 CA ALA A 15 8.208 3.663 2.748 1.00 0.00 C ATOM 199 C ALA A 15 8.651 2.208 2.860 1.00 0.00 C ATOM 200 O ALA A 15 9.794 1.907 3.205 1.00 0.00 O ATOM 201 CB ALA A 15 8.540 4.214 1.369 1.00 0.00 C ATOM 0 H ALA A 15 9.844 4.556 3.709 1.00 0.00 H new ATOM 0 HA ALA A 15 7.128 3.698 2.891 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.070 3.593 0.606 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.168 5.235 1.286 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.621 4.209 1.226 1.00 0.00 H new ATOM 207 N PRO A 16 7.727 1.283 2.561 1.00 0.00 N ATOM 208 CA PRO A 16 7.999 -0.156 2.621 1.00 0.00 C ATOM 209 C PRO A 16 8.952 -0.612 1.521 1.00 0.00 C ATOM 210 O PRO A 16 9.416 0.194 0.716 1.00 0.00 O ATOM 211 CB PRO A 16 6.618 -0.787 2.427 1.00 0.00 C ATOM 212 CG PRO A 16 5.837 0.235 1.675 1.00 0.00 C ATOM 213 CD PRO A 16 6.345 1.571 2.142 1.00 0.00 C ATOM 0 HA PRO A 16 8.485 -0.440 3.554 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.685 -1.722 1.871 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.150 -1.018 3.384 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.976 0.119 0.600 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.770 0.133 1.872 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.313 2.314 1.345 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.748 1.962 2.966 1.00 0.00 H new ATOM 221 N GLY A 17 9.240 -1.910 1.494 1.00 0.00 N ATOM 222 CA GLY A 17 10.136 -2.450 0.488 1.00 0.00 C ATOM 223 C GLY A 17 9.698 -3.814 -0.006 1.00 0.00 C ATOM 224 O GLY A 17 8.625 -3.955 -0.592 1.00 0.00 O ATOM 0 H GLY A 17 8.869 -2.597 2.151 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.188 -1.761 -0.355 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.141 -2.523 0.903 1.00 0.00 H new ATOM 228 N ASP A 18 10.531 -4.822 0.230 1.00 0.00 N ATOM 229 CA ASP A 18 10.224 -6.183 -0.195 1.00 0.00 C ATOM 230 C ASP A 18 9.667 -7.002 0.965 1.00 0.00 C ATOM 231 O ASP A 18 10.214 -6.987 2.069 1.00 0.00 O ATOM 232 CB ASP A 18 11.476 -6.858 -0.758 1.00 0.00 C ATOM 233 CG ASP A 18 11.150 -7.883 -1.827 1.00 0.00 C ATOM 234 OD1 ASP A 18 10.554 -8.926 -1.487 1.00 0.00 O ATOM 235 OD2 ASP A 18 11.491 -7.641 -3.003 1.00 0.00 O ATOM 0 H ASP A 18 11.424 -4.722 0.713 1.00 0.00 H new ATOM 0 HA ASP A 18 9.466 -6.132 -0.976 1.00 0.00 H new ATOM 0 HB2 ASP A 18 12.138 -6.099 -1.176 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.019 -7.343 0.053 1.00 0.00 H new ATOM 240 N LEU A 19 8.577 -7.716 0.708 1.00 0.00 N ATOM 241 CA LEU A 19 7.944 -8.541 1.731 1.00 0.00 C ATOM 242 C LEU A 19 7.660 -9.943 1.200 1.00 0.00 C ATOM 243 O LEU A 19 7.682 -10.178 -0.008 1.00 0.00 O ATOM 244 CB LEU A 19 6.644 -7.891 2.207 1.00 0.00 C ATOM 245 CG LEU A 19 6.785 -6.833 3.302 1.00 0.00 C ATOM 246 CD1 LEU A 19 7.259 -5.514 2.713 1.00 0.00 C ATOM 247 CD2 LEU A 19 5.465 -6.648 4.037 1.00 0.00 C ATOM 0 H LEU A 19 8.113 -7.740 -0.200 1.00 0.00 H new ATOM 0 HA LEU A 19 8.631 -8.623 2.573 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.154 -7.433 1.348 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.981 -8.676 2.571 1.00 0.00 H new ATOM 0 HG LEU A 19 7.532 -7.176 4.018 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.353 -4.774 3.507 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.227 -5.657 2.233 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.537 -5.164 1.975 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.583 -5.892 4.813 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.698 -6.328 3.332 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.167 -7.592 4.493 1.00 0.00 H new ATOM 259 N THR A 20 7.390 -10.872 2.112 1.00 0.00 N ATOM 260 CA THR A 20 7.100 -12.250 1.737 1.00 0.00 C ATOM 261 C THR A 20 5.907 -12.793 2.515 1.00 0.00 C ATOM 262 O THR A 20 5.999 -13.045 3.716 1.00 0.00 O ATOM 263 CB THR A 20 8.315 -13.166 1.979 1.00 0.00 C ATOM 264 OG1 THR A 20 9.515 -12.509 1.556 1.00 0.00 O ATOM 265 CG2 THR A 20 8.159 -14.481 1.230 1.00 0.00 C ATOM 0 H THR A 20 7.366 -10.694 3.116 1.00 0.00 H new ATOM 0 HA THR A 20 6.864 -12.244 0.673 1.00 0.00 H new ATOM 0 HB THR A 20 8.375 -13.379 3.046 1.00 0.00 H new ATOM 0 HG1 THR A 20 10.283 -13.097 1.714 1.00 0.00 H new ATOM 0 HG21 THR A 20 9.029 -15.111 1.416 1.00 0.00 H new ATOM 0 HG22 THR A 20 7.260 -14.992 1.575 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.076 -14.283 0.161 1.00 0.00 H new ATOM 273 N VAL A 21 4.786 -12.970 1.822 1.00 0.00 N ATOM 274 CA VAL A 21 3.574 -13.485 2.448 1.00 0.00 C ATOM 275 C VAL A 21 2.974 -14.624 1.631 1.00 0.00 C ATOM 276 O VAL A 21 2.656 -14.455 0.454 1.00 0.00 O ATOM 277 CB VAL A 21 2.517 -12.378 2.618 1.00 0.00 C ATOM 278 CG1 VAL A 21 1.212 -12.961 3.140 1.00 0.00 C ATOM 279 CG2 VAL A 21 3.032 -11.288 3.546 1.00 0.00 C ATOM 0 H VAL A 21 4.692 -12.764 0.827 1.00 0.00 H new ATOM 0 HA VAL A 21 3.860 -13.859 3.431 1.00 0.00 H new ATOM 0 HB VAL A 21 2.323 -11.932 1.643 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.477 -12.164 3.254 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.837 -13.702 2.435 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.386 -13.435 4.106 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.272 -10.514 3.655 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.255 -11.717 4.523 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.938 -10.851 3.126 1.00 0.00 H new ATOM 289 N GLN A 22 2.823 -15.783 2.264 1.00 0.00 N ATOM 290 CA GLN A 22 2.261 -16.950 1.595 1.00 0.00 C ATOM 291 C GLN A 22 0.771 -16.762 1.331 1.00 0.00 C ATOM 292 O GLN A 22 0.049 -16.210 2.162 1.00 0.00 O ATOM 293 CB GLN A 22 2.488 -18.206 2.438 1.00 0.00 C ATOM 294 CG GLN A 22 1.821 -19.449 1.870 1.00 0.00 C ATOM 295 CD GLN A 22 1.562 -20.506 2.925 1.00 0.00 C ATOM 296 OE1 GLN A 22 2.287 -21.497 3.019 1.00 0.00 O ATOM 297 NE2 GLN A 22 0.524 -20.300 3.727 1.00 0.00 N ATOM 0 H GLN A 22 3.082 -15.939 3.238 1.00 0.00 H new ATOM 0 HA GLN A 22 2.768 -17.067 0.637 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.559 -18.386 2.525 1.00 0.00 H new ATOM 0 HB3 GLN A 22 2.112 -18.030 3.446 1.00 0.00 H new ATOM 0 HG2 GLN A 22 0.877 -19.169 1.403 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.452 -19.870 1.087 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -0.050 -19.465 3.614 1.00 0.00 H new ATOM 0 HE22 GLN A 22 0.301 -20.977 4.456 1.00 0.00 H new ATOM 306 N GLU A 23 0.317 -17.224 0.171 1.00 0.00 N ATOM 307 CA GLU A 23 -1.088 -17.105 -0.202 1.00 0.00 C ATOM 308 C GLU A 23 -1.994 -17.492 0.964 1.00 0.00 C ATOM 309 O GLU A 23 -1.743 -18.475 1.660 1.00 0.00 O ATOM 310 CB GLU A 23 -1.394 -17.986 -1.414 1.00 0.00 C ATOM 311 CG GLU A 23 -2.742 -17.697 -2.052 1.00 0.00 C ATOM 312 CD GLU A 23 -3.246 -18.850 -2.899 1.00 0.00 C ATOM 313 OE1 GLU A 23 -3.402 -19.963 -2.355 1.00 0.00 O ATOM 314 OE2 GLU A 23 -3.485 -18.638 -4.107 1.00 0.00 O ATOM 0 H GLU A 23 0.901 -17.684 -0.527 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.282 -16.064 -0.461 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.611 -17.848 -2.160 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.363 -19.032 -1.109 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.470 -17.479 -1.271 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.663 -16.804 -2.671 1.00 0.00 H new ATOM 321 N GLY A 24 -3.050 -16.711 1.170 1.00 0.00 N ATOM 322 CA GLY A 24 -3.978 -16.987 2.251 1.00 0.00 C ATOM 323 C GLY A 24 -3.456 -16.520 3.596 1.00 0.00 C ATOM 324 O GLY A 24 -3.737 -17.132 4.627 1.00 0.00 O ATOM 0 H GLY A 24 -3.279 -15.892 0.607 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.929 -16.497 2.044 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.174 -18.058 2.293 1.00 0.00 H new ATOM 328 N LYS A 25 -2.691 -15.433 3.587 1.00 0.00 N ATOM 329 CA LYS A 25 -2.127 -14.884 4.815 1.00 0.00 C ATOM 330 C LYS A 25 -2.441 -13.397 4.940 1.00 0.00 C ATOM 331 O LYS A 25 -2.992 -12.789 4.020 1.00 0.00 O ATOM 332 CB LYS A 25 -0.613 -15.101 4.846 1.00 0.00 C ATOM 333 CG LYS A 25 -0.210 -16.553 5.036 1.00 0.00 C ATOM 334 CD LYS A 25 -0.130 -16.922 6.508 1.00 0.00 C ATOM 335 CE LYS A 25 1.103 -16.323 7.167 1.00 0.00 C ATOM 336 NZ LYS A 25 1.313 -16.858 8.540 1.00 0.00 N ATOM 0 H LYS A 25 -2.447 -14.915 2.743 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.580 -15.405 5.659 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.182 -14.732 3.915 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.186 -14.506 5.653 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.931 -17.200 4.537 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.756 -16.728 4.563 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.025 -16.571 7.021 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.108 -18.007 6.612 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.981 -16.535 6.556 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.000 -15.239 7.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.163 -16.425 8.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.487 -16.633 9.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.436 -17.890 8.495 1.00 0.00 H new ATOM 350 N LEU A 26 -2.087 -12.816 6.081 1.00 0.00 N ATOM 351 CA LEU A 26 -2.330 -11.398 6.325 1.00 0.00 C ATOM 352 C LEU A 26 -1.200 -10.546 5.756 1.00 0.00 C ATOM 353 O LEU A 26 -0.024 -10.808 6.011 1.00 0.00 O ATOM 354 CB LEU A 26 -2.476 -11.137 7.825 1.00 0.00 C ATOM 355 CG LEU A 26 -2.853 -9.710 8.224 1.00 0.00 C ATOM 356 CD1 LEU A 26 -1.643 -8.792 8.133 1.00 0.00 C ATOM 357 CD2 LEU A 26 -3.984 -9.192 7.348 1.00 0.00 C ATOM 0 H LEU A 26 -1.631 -13.304 6.852 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.257 -11.121 5.822 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.233 -11.815 8.220 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.534 -11.392 8.311 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.197 -9.722 9.258 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.931 -7.781 8.421 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.862 -9.152 8.803 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.268 -8.785 7.110 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.239 -8.175 7.646 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.667 -9.195 6.305 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.857 -9.834 7.464 1.00 0.00 H new ATOM 369 N CYS A 27 -1.564 -9.527 4.987 1.00 0.00 N ATOM 370 CA CYS A 27 -0.581 -8.635 4.383 1.00 0.00 C ATOM 371 C CYS A 27 -0.885 -7.180 4.723 1.00 0.00 C ATOM 372 O CYS A 27 -1.930 -6.649 4.346 1.00 0.00 O ATOM 373 CB CYS A 27 -0.557 -8.822 2.865 1.00 0.00 C ATOM 374 SG CYS A 27 0.349 -7.533 1.977 1.00 0.00 S ATOM 0 H CYS A 27 -2.533 -9.297 4.767 1.00 0.00 H new ATOM 0 HA CYS A 27 0.399 -8.887 4.789 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.110 -9.789 2.636 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.583 -8.850 2.497 1.00 0.00 H new ATOM 0 HG CYS A 27 0.315 -7.779 0.701 1.00 0.00 H new ATOM 380 N ARG A 28 0.034 -6.541 5.440 1.00 0.00 N ATOM 381 CA ARG A 28 -0.137 -5.148 5.834 1.00 0.00 C ATOM 382 C ARG A 28 1.093 -4.323 5.467 1.00 0.00 C ATOM 383 O ARG A 28 2.221 -4.811 5.531 1.00 0.00 O ATOM 384 CB ARG A 28 -0.400 -5.049 7.338 1.00 0.00 C ATOM 385 CG ARG A 28 -0.523 -3.621 7.843 1.00 0.00 C ATOM 386 CD ARG A 28 -0.582 -3.570 9.362 1.00 0.00 C ATOM 387 NE ARG A 28 -0.683 -2.201 9.860 1.00 0.00 N ATOM 388 CZ ARG A 28 0.359 -1.388 9.993 1.00 0.00 C ATOM 389 NH1 ARG A 28 1.575 -1.805 9.667 1.00 0.00 N ATOM 390 NH2 ARG A 28 0.186 -0.156 10.454 1.00 0.00 N ATOM 0 H ARG A 28 0.904 -6.966 5.760 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.996 -4.748 5.295 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.317 -5.589 7.574 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.409 -5.546 7.873 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.326 -3.035 7.491 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.421 -3.163 7.427 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.438 -4.147 9.711 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.310 -4.041 9.775 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.605 -1.850 10.120 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.712 -2.752 9.313 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.374 -1.179 9.770 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.748 0.168 10.707 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.987 0.468 10.556 1.00 0.00 H new ATOM 404 N MET A 29 0.867 -3.072 5.081 1.00 0.00 N ATOM 405 CA MET A 29 1.958 -2.180 4.704 1.00 0.00 C ATOM 406 C MET A 29 1.609 -0.730 5.024 1.00 0.00 C ATOM 407 O MET A 29 0.656 -0.175 4.476 1.00 0.00 O ATOM 408 CB MET A 29 2.271 -2.325 3.214 1.00 0.00 C ATOM 409 CG MET A 29 2.494 -3.763 2.776 1.00 0.00 C ATOM 410 SD MET A 29 3.111 -3.888 1.087 1.00 0.00 S ATOM 411 CE MET A 29 1.629 -4.400 0.222 1.00 0.00 C ATOM 0 H MET A 29 -0.061 -2.653 5.021 1.00 0.00 H new ATOM 0 HA MET A 29 2.839 -2.459 5.282 1.00 0.00 H new ATOM 0 HB2 MET A 29 1.450 -1.901 2.636 1.00 0.00 H new ATOM 0 HB3 MET A 29 3.161 -1.741 2.980 1.00 0.00 H new ATOM 0 HG2 MET A 29 3.203 -4.239 3.454 1.00 0.00 H new ATOM 0 HG3 MET A 29 1.556 -4.313 2.858 1.00 0.00 H new ATOM 0 HE1 MET A 29 1.666 -4.041 -0.806 1.00 0.00 H new ATOM 0 HE2 MET A 29 1.564 -5.488 0.224 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.754 -3.983 0.721 1.00 0.00 H new ATOM 421 N ASP A 30 2.386 -0.122 5.913 1.00 0.00 N ATOM 422 CA ASP A 30 2.160 1.265 6.305 1.00 0.00 C ATOM 423 C ASP A 30 3.126 2.198 5.582 1.00 0.00 C ATOM 424 O ASP A 30 4.242 1.807 5.238 1.00 0.00 O ATOM 425 CB ASP A 30 2.316 1.421 7.818 1.00 0.00 C ATOM 426 CG ASP A 30 3.769 1.443 8.251 1.00 0.00 C ATOM 427 OD1 ASP A 30 4.391 0.361 8.297 1.00 0.00 O ATOM 428 OD2 ASP A 30 4.284 2.542 8.543 1.00 0.00 O ATOM 0 H ASP A 30 3.178 -0.567 6.376 1.00 0.00 H new ATOM 0 HA ASP A 30 1.143 1.536 6.023 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.831 2.343 8.137 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.803 0.601 8.320 1.00 0.00 H new ATOM 433 N CYS A 31 2.689 3.432 5.355 1.00 0.00 N ATOM 434 CA CYS A 31 3.514 4.421 4.671 1.00 0.00 C ATOM 435 C CYS A 31 3.050 5.837 4.999 1.00 0.00 C ATOM 436 O CYS A 31 1.861 6.146 4.922 1.00 0.00 O ATOM 437 CB CYS A 31 3.470 4.195 3.159 1.00 0.00 C ATOM 438 SG CYS A 31 1.812 4.296 2.445 1.00 0.00 S ATOM 0 H CYS A 31 1.769 3.771 5.635 1.00 0.00 H new ATOM 0 HA CYS A 31 4.540 4.304 5.019 1.00 0.00 H new ATOM 0 HB2 CYS A 31 4.108 4.933 2.673 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.890 3.214 2.937 1.00 0.00 H new ATOM 0 HG CYS A 31 0.926 4.218 3.393 1.00 0.00 H new ATOM 444 N LYS A 32 3.997 6.693 5.367 1.00 0.00 N ATOM 445 CA LYS A 32 3.687 8.077 5.708 1.00 0.00 C ATOM 446 C LYS A 32 4.212 9.031 4.641 1.00 0.00 C ATOM 447 O LYS A 32 5.225 8.760 3.995 1.00 0.00 O ATOM 448 CB LYS A 32 4.290 8.435 7.069 1.00 0.00 C ATOM 449 CG LYS A 32 3.834 7.524 8.195 1.00 0.00 C ATOM 450 CD LYS A 32 4.661 7.734 9.452 1.00 0.00 C ATOM 451 CE LYS A 32 4.324 9.055 10.127 1.00 0.00 C ATOM 452 NZ LYS A 32 5.106 9.255 11.378 1.00 0.00 N ATOM 0 H LYS A 32 4.986 6.453 5.437 1.00 0.00 H new ATOM 0 HA LYS A 32 2.603 8.179 5.759 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.377 8.394 6.997 1.00 0.00 H new ATOM 0 HB3 LYS A 32 4.025 9.463 7.315 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.783 7.713 8.414 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.911 6.484 7.877 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.483 6.913 10.147 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.721 7.714 9.199 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.524 9.876 9.439 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.259 9.084 10.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.847 10.166 11.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.896 8.486 12.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.122 9.253 11.156 1.00 0.00 H new ATOM 466 N VAL A 33 3.518 10.150 4.460 1.00 0.00 N ATOM 467 CA VAL A 33 3.915 11.146 3.472 1.00 0.00 C ATOM 468 C VAL A 33 3.584 12.555 3.949 1.00 0.00 C ATOM 469 O VAL A 33 2.447 12.845 4.321 1.00 0.00 O ATOM 470 CB VAL A 33 3.226 10.899 2.117 1.00 0.00 C ATOM 471 CG1 VAL A 33 1.727 11.133 2.229 1.00 0.00 C ATOM 472 CG2 VAL A 33 3.834 11.786 1.041 1.00 0.00 C ATOM 0 H VAL A 33 2.677 10.390 4.985 1.00 0.00 H new ATOM 0 HA VAL A 33 4.993 11.053 3.344 1.00 0.00 H new ATOM 0 HB VAL A 33 3.386 9.859 1.832 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.257 10.954 1.262 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.307 10.451 2.968 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.541 12.162 2.537 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.335 11.598 0.090 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.706 12.833 1.317 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.897 11.563 0.944 1.00 0.00 H new ATOM 482 N SER A 34 4.585 13.430 3.935 1.00 0.00 N ATOM 483 CA SER A 34 4.401 14.810 4.369 1.00 0.00 C ATOM 484 C SER A 34 3.948 15.689 3.207 1.00 0.00 C ATOM 485 O SER A 34 4.248 15.407 2.048 1.00 0.00 O ATOM 486 CB SER A 34 5.701 15.357 4.962 1.00 0.00 C ATOM 487 OG SER A 34 5.778 16.764 4.809 1.00 0.00 O ATOM 0 H SER A 34 5.532 13.207 3.628 1.00 0.00 H new ATOM 0 HA SER A 34 3.626 14.825 5.135 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.759 15.099 6.019 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.554 14.887 4.472 1.00 0.00 H new ATOM 0 HG SER A 34 6.617 17.090 5.197 1.00 0.00 H new ATOM 493 N GLY A 35 3.224 16.756 3.529 1.00 0.00 N ATOM 494 CA GLY A 35 2.741 17.661 2.502 1.00 0.00 C ATOM 495 C GLY A 35 1.537 18.464 2.956 1.00 0.00 C ATOM 496 O GLY A 35 0.834 18.069 3.887 1.00 0.00 O ATOM 0 H GLY A 35 2.963 17.010 4.482 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.542 18.343 2.217 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.478 17.089 1.612 1.00 0.00 H new ATOM 500 N LEU A 36 1.301 19.594 2.300 1.00 0.00 N ATOM 501 CA LEU A 36 0.175 20.456 2.642 1.00 0.00 C ATOM 502 C LEU A 36 -0.351 21.182 1.408 1.00 0.00 C ATOM 503 O LEU A 36 0.383 21.882 0.710 1.00 0.00 O ATOM 504 CB LEU A 36 0.591 21.473 3.707 1.00 0.00 C ATOM 505 CG LEU A 36 -0.537 22.044 4.567 1.00 0.00 C ATOM 506 CD1 LEU A 36 0.009 22.563 5.888 1.00 0.00 C ATOM 507 CD2 LEU A 36 -1.270 23.148 3.820 1.00 0.00 C ATOM 0 H LEU A 36 1.874 19.935 1.528 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.623 19.828 3.039 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.320 21.001 4.366 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.098 22.301 3.212 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.246 21.244 4.780 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.808 22.965 6.487 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.488 21.747 6.430 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.739 23.349 5.696 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.069 23.543 4.447 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.571 23.948 3.576 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.695 22.745 2.901 1.00 0.00 H new ATOM 519 N PRO A 37 -1.652 21.014 1.132 1.00 0.00 N ATOM 520 CA PRO A 37 -2.535 20.182 1.955 1.00 0.00 C ATOM 521 C PRO A 37 -2.216 18.696 1.829 1.00 0.00 C ATOM 522 O PRO A 37 -1.270 18.310 1.141 1.00 0.00 O ATOM 523 CB PRO A 37 -3.928 20.479 1.393 1.00 0.00 C ATOM 524 CG PRO A 37 -3.686 20.908 -0.013 1.00 0.00 C ATOM 525 CD PRO A 37 -2.362 21.622 -0.006 1.00 0.00 C ATOM 0 HA PRO A 37 -2.432 20.406 3.017 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.567 19.597 1.433 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.427 21.261 1.965 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.663 20.050 -0.684 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.482 21.565 -0.363 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -1.822 21.476 -0.941 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.486 22.697 0.126 1.00 0.00 H new ATOM 533 N THR A 38 -3.011 17.866 2.496 1.00 0.00 N ATOM 534 CA THR A 38 -2.813 16.423 2.459 1.00 0.00 C ATOM 535 C THR A 38 -2.695 15.920 1.025 1.00 0.00 C ATOM 536 O THR A 38 -3.600 16.086 0.207 1.00 0.00 O ATOM 537 CB THR A 38 -3.966 15.679 3.159 1.00 0.00 C ATOM 538 OG1 THR A 38 -5.225 16.168 2.682 1.00 0.00 O ATOM 539 CG2 THR A 38 -3.887 15.854 4.668 1.00 0.00 C ATOM 0 H THR A 38 -3.799 18.169 3.069 1.00 0.00 H new ATOM 0 HA THR A 38 -1.883 16.219 2.990 1.00 0.00 H new ATOM 0 HB THR A 38 -3.877 14.617 2.928 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.157 16.369 1.725 1.00 0.00 H new ATOM 0 HG21 THR A 38 -4.712 15.320 5.140 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.940 15.454 5.032 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.952 16.914 4.915 1.00 0.00 H new ATOM 547 N PRO A 39 -1.554 15.290 0.709 1.00 0.00 N ATOM 548 CA PRO A 39 -1.291 14.750 -0.628 1.00 0.00 C ATOM 549 C PRO A 39 -2.162 13.539 -0.944 1.00 0.00 C ATOM 550 O PRO A 39 -2.236 12.593 -0.159 1.00 0.00 O ATOM 551 CB PRO A 39 0.184 14.346 -0.564 1.00 0.00 C ATOM 552 CG PRO A 39 0.446 14.095 0.881 1.00 0.00 C ATOM 553 CD PRO A 39 -0.431 15.057 1.634 1.00 0.00 C ATOM 0 HA PRO A 39 -1.515 15.474 -1.412 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.377 13.455 -1.162 1.00 0.00 H new ATOM 0 HB3 PRO A 39 0.828 15.135 -0.952 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.212 13.064 1.147 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.497 14.256 1.121 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -0.770 14.635 2.580 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.096 15.982 1.868 1.00 0.00 H new ATOM 561 N ASP A 40 -2.819 13.574 -2.098 1.00 0.00 N ATOM 562 CA ASP A 40 -3.684 12.477 -2.519 1.00 0.00 C ATOM 563 C ASP A 40 -2.919 11.485 -3.389 1.00 0.00 C ATOM 564 O ASP A 40 -2.403 11.841 -4.450 1.00 0.00 O ATOM 565 CB ASP A 40 -4.893 13.018 -3.284 1.00 0.00 C ATOM 566 CG ASP A 40 -5.403 12.042 -4.326 1.00 0.00 C ATOM 567 OD1 ASP A 40 -5.800 10.922 -3.944 1.00 0.00 O ATOM 568 OD2 ASP A 40 -5.404 12.399 -5.523 1.00 0.00 O ATOM 0 H ASP A 40 -2.769 14.350 -2.759 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.031 11.957 -1.626 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.694 13.244 -2.580 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.622 13.955 -3.770 1.00 0.00 H new ATOM 573 N LEU A 41 -2.847 10.239 -2.934 1.00 0.00 N ATOM 574 CA LEU A 41 -2.144 9.194 -3.670 1.00 0.00 C ATOM 575 C LEU A 41 -3.085 8.046 -4.019 1.00 0.00 C ATOM 576 O LEU A 41 -3.967 7.693 -3.236 1.00 0.00 O ATOM 577 CB LEU A 41 -0.965 8.670 -2.848 1.00 0.00 C ATOM 578 CG LEU A 41 -1.307 8.092 -1.475 1.00 0.00 C ATOM 579 CD1 LEU A 41 -0.303 7.020 -1.082 1.00 0.00 C ATOM 580 CD2 LEU A 41 -1.351 9.195 -0.428 1.00 0.00 C ATOM 0 H LEU A 41 -3.267 9.928 -2.058 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.769 9.626 -4.598 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.458 7.899 -3.428 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.254 9.485 -2.710 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.294 7.633 -1.531 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.563 6.620 -0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.322 6.216 -1.818 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.696 7.454 -1.044 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.596 8.765 0.543 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.378 9.684 -0.374 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.110 9.927 -0.703 1.00 0.00 H new ATOM 592 N SER A 42 -2.890 7.465 -5.198 1.00 0.00 N ATOM 593 CA SER A 42 -3.723 6.358 -5.652 1.00 0.00 C ATOM 594 C SER A 42 -2.905 5.075 -5.767 1.00 0.00 C ATOM 595 O SER A 42 -1.777 5.087 -6.260 1.00 0.00 O ATOM 596 CB SER A 42 -4.361 6.691 -7.002 1.00 0.00 C ATOM 597 OG SER A 42 -4.751 5.513 -7.687 1.00 0.00 O ATOM 0 H SER A 42 -2.162 7.743 -5.856 1.00 0.00 H new ATOM 0 HA SER A 42 -4.511 6.203 -4.915 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.230 7.331 -6.849 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.655 7.253 -7.613 1.00 0.00 H new ATOM 0 HG SER A 42 -5.157 5.753 -8.546 1.00 0.00 H new ATOM 603 N TRP A 43 -3.482 3.970 -5.307 1.00 0.00 N ATOM 604 CA TRP A 43 -2.807 2.678 -5.357 1.00 0.00 C ATOM 605 C TRP A 43 -2.886 2.077 -6.756 1.00 0.00 C ATOM 606 O TRP A 43 -3.863 2.285 -7.476 1.00 0.00 O ATOM 607 CB TRP A 43 -3.424 1.717 -4.340 1.00 0.00 C ATOM 608 CG TRP A 43 -3.116 2.079 -2.919 1.00 0.00 C ATOM 609 CD1 TRP A 43 -3.857 2.881 -2.098 1.00 0.00 C ATOM 610 CD2 TRP A 43 -1.985 1.653 -2.152 1.00 0.00 C ATOM 611 NE1 TRP A 43 -3.254 2.979 -0.867 1.00 0.00 N ATOM 612 CE2 TRP A 43 -2.104 2.234 -0.874 1.00 0.00 C ATOM 613 CE3 TRP A 43 -0.883 0.836 -2.419 1.00 0.00 C ATOM 614 CZ2 TRP A 43 -1.163 2.024 0.130 1.00 0.00 C ATOM 615 CZ3 TRP A 43 0.050 0.628 -1.422 1.00 0.00 C ATOM 616 CH2 TRP A 43 -0.095 1.219 -0.160 1.00 0.00 C ATOM 0 H TRP A 43 -4.415 3.943 -4.896 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.758 2.834 -5.108 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.505 1.699 -4.477 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -3.061 0.708 -4.537 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.781 3.367 -2.376 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.606 3.519 -0.076 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.763 0.375 -3.388 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -1.272 2.480 1.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 0.906 -0.001 -1.619 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.651 1.036 0.599 1.00 0.00 H new ATOM 627 N GLN A 44 -1.853 1.331 -7.134 1.00 0.00 N ATOM 628 CA GLN A 44 -1.807 0.700 -8.448 1.00 0.00 C ATOM 629 C GLN A 44 -1.148 -0.673 -8.370 1.00 0.00 C ATOM 630 O GLN A 44 -0.016 -0.804 -7.904 1.00 0.00 O ATOM 631 CB GLN A 44 -1.049 1.588 -9.437 1.00 0.00 C ATOM 632 CG GLN A 44 -1.715 2.932 -9.683 1.00 0.00 C ATOM 633 CD GLN A 44 -1.353 3.525 -11.030 1.00 0.00 C ATOM 634 OE1 GLN A 44 -0.664 2.896 -11.833 1.00 0.00 O ATOM 635 NE2 GLN A 44 -1.817 4.743 -11.285 1.00 0.00 N ATOM 0 H GLN A 44 -1.037 1.149 -6.550 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.831 0.571 -8.798 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.039 1.756 -9.062 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.953 1.061 -10.386 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -2.797 2.814 -9.621 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.425 3.627 -8.895 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.385 5.228 -10.590 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.606 5.193 -12.176 1.00 0.00 H new ATOM 644 N LEU A 45 -1.864 -1.694 -8.829 1.00 0.00 N ATOM 645 CA LEU A 45 -1.349 -3.058 -8.811 1.00 0.00 C ATOM 646 C LEU A 45 -1.152 -3.585 -10.229 1.00 0.00 C ATOM 647 O LEU A 45 -2.022 -3.431 -11.086 1.00 0.00 O ATOM 648 CB LEU A 45 -2.303 -3.975 -8.043 1.00 0.00 C ATOM 649 CG LEU A 45 -2.134 -5.475 -8.285 1.00 0.00 C ATOM 650 CD1 LEU A 45 -0.835 -5.972 -7.670 1.00 0.00 C ATOM 651 CD2 LEU A 45 -3.321 -6.243 -7.723 1.00 0.00 C ATOM 0 H LEU A 45 -2.802 -1.603 -9.218 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.382 -3.047 -8.309 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.179 -3.783 -6.977 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.326 -3.699 -8.300 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.092 -5.648 -9.360 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.732 -7.042 -7.852 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.006 -5.445 -8.120 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.847 -5.787 -6.596 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.184 -7.309 -7.904 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.395 -6.064 -6.650 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.236 -5.907 -8.211 1.00 0.00 H new ATOM 663 N ASP A 46 -0.003 -4.208 -10.469 1.00 0.00 N ATOM 664 CA ASP A 46 0.307 -4.760 -11.782 1.00 0.00 C ATOM 665 C ASP A 46 -0.215 -3.853 -12.891 1.00 0.00 C ATOM 666 O ASP A 46 -0.739 -4.325 -13.899 1.00 0.00 O ATOM 667 CB ASP A 46 -0.294 -6.160 -11.925 1.00 0.00 C ATOM 668 CG ASP A 46 0.481 -7.025 -12.899 1.00 0.00 C ATOM 669 OD1 ASP A 46 0.957 -6.488 -13.921 1.00 0.00 O ATOM 670 OD2 ASP A 46 0.611 -8.240 -12.640 1.00 0.00 O ATOM 0 H ASP A 46 0.729 -4.343 -9.771 1.00 0.00 H new ATOM 0 HA ASP A 46 1.391 -4.827 -11.874 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.314 -6.645 -10.949 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.328 -6.076 -12.261 1.00 0.00 H new ATOM 675 N GLY A 47 -0.070 -2.545 -12.696 1.00 0.00 N ATOM 676 CA GLY A 47 -0.534 -1.592 -13.687 1.00 0.00 C ATOM 677 C GLY A 47 -2.043 -1.588 -13.827 1.00 0.00 C ATOM 678 O GLY A 47 -2.572 -1.547 -14.938 1.00 0.00 O ATOM 0 H GLY A 47 0.360 -2.129 -11.870 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.195 -0.593 -13.412 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.084 -1.827 -14.651 1.00 0.00 H new ATOM 682 N LYS A 48 -2.740 -1.633 -12.696 1.00 0.00 N ATOM 683 CA LYS A 48 -4.198 -1.634 -12.695 1.00 0.00 C ATOM 684 C LYS A 48 -4.742 -0.978 -11.430 1.00 0.00 C ATOM 685 O LYS A 48 -4.116 -1.002 -10.371 1.00 0.00 O ATOM 686 CB LYS A 48 -4.727 -3.066 -12.808 1.00 0.00 C ATOM 687 CG LYS A 48 -4.262 -3.790 -14.060 1.00 0.00 C ATOM 688 CD LYS A 48 -4.685 -5.249 -14.051 1.00 0.00 C ATOM 689 CE LYS A 48 -6.171 -5.400 -14.339 1.00 0.00 C ATOM 690 NZ LYS A 48 -6.729 -6.643 -13.738 1.00 0.00 N ATOM 0 H LYS A 48 -2.318 -1.669 -11.768 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.538 -1.058 -13.556 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.409 -3.632 -11.932 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.817 -3.044 -12.795 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.673 -3.297 -14.941 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.177 -3.726 -14.137 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.111 -5.800 -14.796 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.455 -5.690 -13.081 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.707 -4.535 -13.947 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.332 -5.414 -15.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.744 -6.709 -13.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.236 -7.470 -14.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.598 -6.619 -12.707 1.00 0.00 H new ATOM 704 N PRO A 49 -5.938 -0.379 -11.541 1.00 0.00 N ATOM 705 CA PRO A 49 -6.593 0.293 -10.415 1.00 0.00 C ATOM 706 C PRO A 49 -7.074 -0.691 -9.353 1.00 0.00 C ATOM 707 O PRO A 49 -8.056 -1.406 -9.554 1.00 0.00 O ATOM 708 CB PRO A 49 -7.783 0.999 -11.068 1.00 0.00 C ATOM 709 CG PRO A 49 -8.070 0.204 -12.294 1.00 0.00 C ATOM 710 CD PRO A 49 -6.741 -0.312 -12.773 1.00 0.00 C ATOM 0 HA PRO A 49 -5.915 0.967 -9.891 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -8.644 1.022 -10.401 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.543 2.033 -11.314 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -8.752 -0.618 -12.076 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.547 0.820 -13.056 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.836 -1.290 -13.245 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -6.293 0.355 -13.509 1.00 0.00 H new ATOM 718 N VAL A 50 -6.377 -0.721 -8.222 1.00 0.00 N ATOM 719 CA VAL A 50 -6.734 -1.616 -7.127 1.00 0.00 C ATOM 720 C VAL A 50 -7.836 -1.014 -6.263 1.00 0.00 C ATOM 721 O VAL A 50 -7.611 -0.042 -5.541 1.00 0.00 O ATOM 722 CB VAL A 50 -5.515 -1.933 -6.240 1.00 0.00 C ATOM 723 CG1 VAL A 50 -4.928 -0.653 -5.664 1.00 0.00 C ATOM 724 CG2 VAL A 50 -5.901 -2.899 -5.131 1.00 0.00 C ATOM 0 H VAL A 50 -5.562 -0.136 -8.040 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.094 -2.540 -7.578 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.752 -2.409 -6.856 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.068 -0.896 -5.040 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.613 0.001 -6.477 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.682 -0.146 -5.061 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.028 -3.112 -4.514 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.681 -2.452 -4.514 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.271 -3.826 -5.569 1.00 0.00 H new ATOM 734 N ARG A 51 -9.027 -1.599 -6.339 1.00 0.00 N ATOM 735 CA ARG A 51 -10.165 -1.119 -5.564 1.00 0.00 C ATOM 736 C ARG A 51 -10.328 -1.929 -4.281 1.00 0.00 C ATOM 737 O ARG A 51 -10.014 -3.119 -4.225 1.00 0.00 O ATOM 738 CB ARG A 51 -11.446 -1.198 -6.396 1.00 0.00 C ATOM 739 CG ARG A 51 -11.907 -2.620 -6.672 1.00 0.00 C ATOM 740 CD ARG A 51 -12.651 -2.717 -7.994 1.00 0.00 C ATOM 741 NE ARG A 51 -13.942 -2.036 -7.947 1.00 0.00 N ATOM 742 CZ ARG A 51 -14.723 -1.865 -9.008 1.00 0.00 C ATOM 743 NH1 ARG A 51 -14.345 -2.323 -10.194 1.00 0.00 N ATOM 744 NH2 ARG A 51 -15.884 -1.234 -8.885 1.00 0.00 N ATOM 0 H ARG A 51 -9.229 -2.406 -6.929 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.978 -0.079 -5.296 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -12.240 -0.662 -5.876 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.285 -0.687 -7.345 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -11.045 -3.287 -6.689 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.555 -2.957 -5.863 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -12.041 -2.283 -8.786 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -12.804 -3.766 -8.248 1.00 0.00 H new ATOM 0 HE ARG A 51 -14.262 -1.671 -7.050 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -13.453 -2.808 -10.293 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -14.946 -2.191 -11.007 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -16.178 -0.879 -7.975 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -16.482 -1.104 -9.701 1.00 0.00 H new ATOM 758 N PRO A 52 -10.831 -1.272 -3.226 1.00 0.00 N ATOM 759 CA PRO A 52 -11.047 -1.911 -1.925 1.00 0.00 C ATOM 760 C PRO A 52 -12.186 -2.925 -1.959 1.00 0.00 C ATOM 761 O PRO A 52 -13.312 -2.596 -2.334 1.00 0.00 O ATOM 762 CB PRO A 52 -11.403 -0.738 -1.008 1.00 0.00 C ATOM 763 CG PRO A 52 -11.963 0.299 -1.919 1.00 0.00 C ATOM 764 CD PRO A 52 -11.227 0.147 -3.222 1.00 0.00 C ATOM 0 HA PRO A 52 -10.174 -2.475 -1.598 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.129 -1.034 -0.251 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.524 -0.368 -0.480 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -13.035 0.159 -2.058 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.823 1.298 -1.506 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.863 0.389 -4.073 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.361 0.806 -3.274 1.00 0.00 H new ATOM 772 N ASP A 53 -11.886 -4.158 -1.566 1.00 0.00 N ATOM 773 CA ASP A 53 -12.886 -5.220 -1.550 1.00 0.00 C ATOM 774 C ASP A 53 -12.950 -5.885 -0.179 1.00 0.00 C ATOM 775 O ASP A 53 -12.273 -5.464 0.759 1.00 0.00 O ATOM 776 CB ASP A 53 -12.569 -6.263 -2.623 1.00 0.00 C ATOM 777 CG ASP A 53 -13.806 -6.999 -3.098 1.00 0.00 C ATOM 778 OD1 ASP A 53 -14.804 -6.327 -3.432 1.00 0.00 O ATOM 779 OD2 ASP A 53 -13.777 -8.247 -3.134 1.00 0.00 O ATOM 0 H ASP A 53 -10.959 -4.447 -1.254 1.00 0.00 H new ATOM 0 HA ASP A 53 -13.858 -4.775 -1.763 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -12.093 -5.773 -3.472 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -11.852 -6.982 -2.226 1.00 0.00 H new ATOM 784 N SER A 54 -13.771 -6.925 -0.070 1.00 0.00 N ATOM 785 CA SER A 54 -13.928 -7.646 1.188 1.00 0.00 C ATOM 786 C SER A 54 -12.570 -8.035 1.765 1.00 0.00 C ATOM 787 O SER A 54 -12.404 -8.130 2.980 1.00 0.00 O ATOM 788 CB SER A 54 -14.784 -8.897 0.980 1.00 0.00 C ATOM 789 OG SER A 54 -14.427 -9.565 -0.217 1.00 0.00 O ATOM 0 H SER A 54 -14.337 -7.287 -0.837 1.00 0.00 H new ATOM 0 HA SER A 54 -14.428 -6.986 1.896 1.00 0.00 H new ATOM 0 HB2 SER A 54 -14.660 -9.571 1.827 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.837 -8.619 0.945 1.00 0.00 H new ATOM 0 HG SER A 54 -14.987 -10.362 -0.327 1.00 0.00 H new ATOM 795 N ALA A 55 -11.602 -8.258 0.882 1.00 0.00 N ATOM 796 CA ALA A 55 -10.258 -8.635 1.302 1.00 0.00 C ATOM 797 C ALA A 55 -9.313 -7.438 1.258 1.00 0.00 C ATOM 798 O ALA A 55 -8.521 -7.226 2.177 1.00 0.00 O ATOM 799 CB ALA A 55 -9.727 -9.761 0.427 1.00 0.00 C ATOM 0 H ALA A 55 -11.723 -8.184 -0.128 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.312 -8.985 2.333 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.723 -10.032 0.752 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.382 -10.628 0.512 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.695 -9.431 -0.611 1.00 0.00 H new ATOM 805 N HIS A 56 -9.402 -6.660 0.185 1.00 0.00 N ATOM 806 CA HIS A 56 -8.554 -5.484 0.021 1.00 0.00 C ATOM 807 C HIS A 56 -9.182 -4.265 0.691 1.00 0.00 C ATOM 808 O HIS A 56 -10.228 -3.778 0.263 1.00 0.00 O ATOM 809 CB HIS A 56 -8.319 -5.201 -1.463 1.00 0.00 C ATOM 810 CG HIS A 56 -7.855 -6.397 -2.235 1.00 0.00 C ATOM 811 ND1 HIS A 56 -8.720 -7.297 -2.821 1.00 0.00 N ATOM 812 CD2 HIS A 56 -6.607 -6.839 -2.516 1.00 0.00 C ATOM 813 CE1 HIS A 56 -8.024 -8.241 -3.428 1.00 0.00 C ATOM 814 NE2 HIS A 56 -6.739 -7.986 -3.259 1.00 0.00 N ATOM 0 H HIS A 56 -10.052 -6.822 -0.584 1.00 0.00 H new ATOM 0 HA HIS A 56 -7.596 -5.687 0.500 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -9.244 -4.830 -1.905 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -7.579 -4.407 -1.560 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -5.680 -6.376 -2.212 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -8.436 -9.079 -3.971 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -5.970 -8.550 -3.621 1.00 0.00 H new ATOM 822 N LYS A 57 -8.536 -3.777 1.745 1.00 0.00 N ATOM 823 CA LYS A 57 -9.029 -2.614 2.474 1.00 0.00 C ATOM 824 C LYS A 57 -7.958 -1.532 2.561 1.00 0.00 C ATOM 825 O LYS A 57 -6.769 -1.830 2.677 1.00 0.00 O ATOM 826 CB LYS A 57 -9.474 -3.021 3.880 1.00 0.00 C ATOM 827 CG LYS A 57 -8.335 -3.495 4.766 1.00 0.00 C ATOM 828 CD LYS A 57 -8.133 -4.997 4.658 1.00 0.00 C ATOM 829 CE LYS A 57 -8.975 -5.747 5.679 1.00 0.00 C ATOM 830 NZ LYS A 57 -8.857 -7.223 5.518 1.00 0.00 N ATOM 0 H LYS A 57 -7.669 -4.169 2.114 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.884 -2.210 1.931 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.965 -2.172 4.356 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.216 -3.815 3.801 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.416 -2.982 4.484 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -8.544 -3.229 5.802 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.396 -5.329 3.654 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.080 -5.235 4.808 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.663 -5.465 6.685 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.019 -5.453 5.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.708 -7.683 5.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.760 -7.456 4.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.020 -7.563 6.033 1.00 0.00 H new ATOM 844 N MET A 58 -8.387 -0.275 2.506 1.00 0.00 N ATOM 845 CA MET A 58 -7.464 0.851 2.581 1.00 0.00 C ATOM 846 C MET A 58 -7.716 1.677 3.839 1.00 0.00 C ATOM 847 O MET A 58 -8.851 1.788 4.304 1.00 0.00 O ATOM 848 CB MET A 58 -7.601 1.735 1.340 1.00 0.00 C ATOM 849 CG MET A 58 -6.714 1.302 0.184 1.00 0.00 C ATOM 850 SD MET A 58 -7.433 1.685 -1.424 1.00 0.00 S ATOM 851 CE MET A 58 -7.671 0.038 -2.088 1.00 0.00 C ATOM 0 H MET A 58 -9.368 -0.011 2.410 1.00 0.00 H new ATOM 0 HA MET A 58 -6.450 0.455 2.625 1.00 0.00 H new ATOM 0 HB2 MET A 58 -8.640 1.728 1.012 1.00 0.00 H new ATOM 0 HB3 MET A 58 -7.358 2.763 1.608 1.00 0.00 H new ATOM 0 HG2 MET A 58 -5.745 1.794 0.271 1.00 0.00 H new ATOM 0 HG3 MET A 58 -6.534 0.229 0.251 1.00 0.00 H new ATOM 0 HE1 MET A 58 -8.159 0.105 -3.060 1.00 0.00 H new ATOM 0 HE2 MET A 58 -6.704 -0.452 -2.200 1.00 0.00 H new ATOM 0 HE3 MET A 58 -8.295 -0.542 -1.408 1.00 0.00 H new ATOM 861 N LEU A 59 -6.651 2.254 4.385 1.00 0.00 N ATOM 862 CA LEU A 59 -6.757 3.070 5.589 1.00 0.00 C ATOM 863 C LEU A 59 -5.853 4.296 5.498 1.00 0.00 C ATOM 864 O LEU A 59 -4.661 4.181 5.211 1.00 0.00 O ATOM 865 CB LEU A 59 -6.392 2.244 6.823 1.00 0.00 C ATOM 866 CG LEU A 59 -7.276 1.028 7.103 1.00 0.00 C ATOM 867 CD1 LEU A 59 -6.824 -0.163 6.272 1.00 0.00 C ATOM 868 CD2 LEU A 59 -7.257 0.684 8.585 1.00 0.00 C ATOM 0 H LEU A 59 -5.705 2.172 4.013 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.789 3.408 5.678 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.363 1.902 6.715 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.421 2.898 7.695 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.300 1.275 6.821 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.465 -1.019 6.484 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.891 0.086 5.213 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.792 -0.411 6.522 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.892 -0.184 8.765 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.236 0.457 8.893 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.630 1.532 9.160 1.00 0.00 H new ATOM 880 N VAL A 60 -6.427 5.468 5.747 1.00 0.00 N ATOM 881 CA VAL A 60 -5.673 6.715 5.696 1.00 0.00 C ATOM 882 C VAL A 60 -6.008 7.609 6.885 1.00 0.00 C ATOM 883 O VAL A 60 -7.131 8.098 7.010 1.00 0.00 O ATOM 884 CB VAL A 60 -5.951 7.487 4.393 1.00 0.00 C ATOM 885 CG1 VAL A 60 -7.445 7.718 4.218 1.00 0.00 C ATOM 886 CG2 VAL A 60 -5.195 8.807 4.384 1.00 0.00 C ATOM 0 H VAL A 60 -7.412 5.580 5.986 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.617 6.447 5.732 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.599 6.887 3.554 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -7.623 8.265 3.292 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -7.959 6.758 4.177 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -7.825 8.297 5.060 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.403 9.339 3.456 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.514 9.415 5.230 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.125 8.614 4.459 1.00 0.00 H new ATOM 896 N ARG A 61 -5.027 7.819 7.756 1.00 0.00 N ATOM 897 CA ARG A 61 -5.218 8.654 8.936 1.00 0.00 C ATOM 898 C ARG A 61 -4.591 10.030 8.735 1.00 0.00 C ATOM 899 O ARG A 61 -4.051 10.327 7.670 1.00 0.00 O ATOM 900 CB ARG A 61 -4.611 7.980 10.168 1.00 0.00 C ATOM 901 CG ARG A 61 -5.511 6.926 10.792 1.00 0.00 C ATOM 902 CD ARG A 61 -4.702 5.837 11.478 1.00 0.00 C ATOM 903 NE ARG A 61 -4.045 6.324 12.688 1.00 0.00 N ATOM 904 CZ ARG A 61 -2.971 5.753 13.222 1.00 0.00 C ATOM 905 NH1 ARG A 61 -2.434 4.682 12.654 1.00 0.00 N ATOM 906 NH2 ARG A 61 -2.430 6.255 14.325 1.00 0.00 N ATOM 0 H ARG A 61 -4.091 7.422 7.667 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.289 8.781 9.091 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.664 7.518 9.889 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.386 8.742 10.915 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.176 7.397 11.516 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.141 6.482 10.021 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.357 5.004 11.732 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.951 5.453 10.787 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.432 7.148 13.148 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.846 4.295 11.805 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -1.609 4.246 13.066 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.839 7.080 14.764 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.605 5.816 14.734 1.00 0.00 H new ATOM 920 N GLU A 62 -4.668 10.866 9.766 1.00 0.00 N ATOM 921 CA GLU A 62 -4.109 12.211 9.701 1.00 0.00 C ATOM 922 C GLU A 62 -2.588 12.175 9.825 1.00 0.00 C ATOM 923 O GLU A 62 -2.007 11.147 10.169 1.00 0.00 O ATOM 924 CB GLU A 62 -4.701 13.087 10.807 1.00 0.00 C ATOM 925 CG GLU A 62 -4.531 14.577 10.561 1.00 0.00 C ATOM 926 CD GLU A 62 -4.952 14.989 9.163 1.00 0.00 C ATOM 927 OE1 GLU A 62 -6.031 14.550 8.715 1.00 0.00 O ATOM 928 OE2 GLU A 62 -4.201 15.751 8.519 1.00 0.00 O ATOM 0 H GLU A 62 -5.112 10.636 10.655 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.367 12.638 8.732 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.763 12.863 10.907 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.230 12.828 11.755 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.119 15.132 11.292 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.488 14.851 10.718 1.00 0.00 H new ATOM 935 N ASN A 63 -1.951 13.306 9.541 1.00 0.00 N ATOM 936 CA ASN A 63 -0.498 13.404 9.619 1.00 0.00 C ATOM 937 C ASN A 63 0.162 12.635 8.478 1.00 0.00 C ATOM 938 O ASN A 63 1.278 12.135 8.616 1.00 0.00 O ATOM 939 CB ASN A 63 -0.001 12.871 10.964 1.00 0.00 C ATOM 940 CG ASN A 63 -0.992 13.117 12.085 1.00 0.00 C ATOM 941 OD1 ASN A 63 -1.749 14.087 12.057 1.00 0.00 O ATOM 942 ND2 ASN A 63 -0.990 12.238 13.080 1.00 0.00 N ATOM 0 H ASN A 63 -2.417 14.167 9.255 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.225 14.455 9.530 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.190 11.801 10.880 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.949 13.346 11.211 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -1.634 12.352 13.863 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -0.345 11.448 13.062 1.00 0.00 H new ATOM 949 N GLY A 64 -0.537 12.544 7.351 1.00 0.00 N ATOM 950 CA GLY A 64 -0.004 11.834 6.203 1.00 0.00 C ATOM 951 C GLY A 64 0.287 10.377 6.506 1.00 0.00 C ATOM 952 O GLY A 64 1.441 9.994 6.697 1.00 0.00 O ATOM 0 H GLY A 64 -1.463 12.949 7.212 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.715 11.896 5.379 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.912 12.323 5.871 1.00 0.00 H new ATOM 956 N VAL A 65 -0.762 9.563 6.550 1.00 0.00 N ATOM 957 CA VAL A 65 -0.614 8.140 6.833 1.00 0.00 C ATOM 958 C VAL A 65 -1.493 7.302 5.911 1.00 0.00 C ATOM 959 O VAL A 65 -2.683 7.577 5.751 1.00 0.00 O ATOM 960 CB VAL A 65 -0.971 7.818 8.296 1.00 0.00 C ATOM 961 CG1 VAL A 65 -1.202 6.325 8.473 1.00 0.00 C ATOM 962 CG2 VAL A 65 0.123 8.311 9.231 1.00 0.00 C ATOM 0 H VAL A 65 -1.724 9.864 6.393 1.00 0.00 H new ATOM 0 HA VAL A 65 0.433 7.890 6.659 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.896 8.337 8.549 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.453 6.116 9.513 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.022 6.005 7.830 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.296 5.782 8.203 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.145 8.075 10.261 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.064 7.822 8.980 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.235 9.390 9.123 1.00 0.00 H new ATOM 972 N HIS A 66 -0.899 6.278 5.306 1.00 0.00 N ATOM 973 CA HIS A 66 -1.629 5.398 4.400 1.00 0.00 C ATOM 974 C HIS A 66 -1.176 3.950 4.566 1.00 0.00 C ATOM 975 O HIS A 66 0.018 3.655 4.521 1.00 0.00 O ATOM 976 CB HIS A 66 -1.429 5.844 2.951 1.00 0.00 C ATOM 977 CG HIS A 66 -2.426 6.864 2.496 1.00 0.00 C ATOM 978 ND1 HIS A 66 -3.548 6.545 1.761 1.00 0.00 N ATOM 979 CD2 HIS A 66 -2.467 8.205 2.677 1.00 0.00 C ATOM 980 CE1 HIS A 66 -4.234 7.645 1.507 1.00 0.00 C ATOM 981 NE2 HIS A 66 -3.599 8.666 2.053 1.00 0.00 N ATOM 0 H HIS A 66 0.085 6.037 5.427 1.00 0.00 H new ATOM 0 HA HIS A 66 -2.688 5.459 4.649 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -0.425 6.255 2.841 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.490 4.972 2.299 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -3.808 5.606 1.460 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -1.743 8.801 3.213 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -5.157 7.700 0.948 1.00 0.00 H new ATOM 989 N SER A 67 -2.137 3.053 4.760 1.00 0.00 N ATOM 990 CA SER A 67 -1.836 1.637 4.938 1.00 0.00 C ATOM 991 C SER A 67 -2.764 0.774 4.088 1.00 0.00 C ATOM 992 O SER A 67 -3.959 1.050 3.976 1.00 0.00 O ATOM 993 CB SER A 67 -1.967 1.248 6.412 1.00 0.00 C ATOM 994 OG SER A 67 -1.110 2.032 7.224 1.00 0.00 O ATOM 0 H SER A 67 -3.130 3.281 4.798 1.00 0.00 H new ATOM 0 HA SER A 67 -0.810 1.465 4.614 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.000 1.379 6.736 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.725 0.192 6.536 1.00 0.00 H new ATOM 0 HG SER A 67 -1.213 1.765 8.161 1.00 0.00 H new ATOM 1000 N LEU A 68 -2.205 -0.273 3.491 1.00 0.00 N ATOM 1001 CA LEU A 68 -2.981 -1.178 2.650 1.00 0.00 C ATOM 1002 C LEU A 68 -3.003 -2.584 3.241 1.00 0.00 C ATOM 1003 O LEU A 68 -2.005 -3.303 3.196 1.00 0.00 O ATOM 1004 CB LEU A 68 -2.399 -1.216 1.236 1.00 0.00 C ATOM 1005 CG LEU A 68 -3.091 -2.159 0.251 1.00 0.00 C ATOM 1006 CD1 LEU A 68 -4.514 -1.696 -0.021 1.00 0.00 C ATOM 1007 CD2 LEU A 68 -2.301 -2.250 -1.046 1.00 0.00 C ATOM 0 H LEU A 68 -1.218 -0.516 3.574 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.005 -0.806 2.605 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.430 -0.207 0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.349 -1.501 1.304 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.133 -3.152 0.698 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.991 -2.379 -0.724 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.077 -1.684 0.912 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.495 -0.693 -0.446 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.809 -2.925 -1.735 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.227 -1.260 -1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.301 -2.629 -0.837 1.00 0.00 H new ATOM 1019 N ILE A 69 -4.149 -2.970 3.792 1.00 0.00 N ATOM 1020 CA ILE A 69 -4.302 -4.292 4.389 1.00 0.00 C ATOM 1021 C ILE A 69 -5.089 -5.221 3.471 1.00 0.00 C ATOM 1022 O ILE A 69 -6.109 -4.830 2.901 1.00 0.00 O ATOM 1023 CB ILE A 69 -5.012 -4.215 5.753 1.00 0.00 C ATOM 1024 CG1 ILE A 69 -4.188 -3.378 6.735 1.00 0.00 C ATOM 1025 CG2 ILE A 69 -5.247 -5.612 6.307 1.00 0.00 C ATOM 1026 CD1 ILE A 69 -4.919 -3.061 8.020 1.00 0.00 C ATOM 0 H ILE A 69 -4.985 -2.387 3.838 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.298 -4.691 4.533 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.980 -3.732 5.616 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.268 -3.912 6.972 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.899 -2.445 6.251 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.750 -5.541 7.272 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.869 -6.178 5.614 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.290 -6.119 6.433 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.275 -2.466 8.668 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.825 -2.499 7.794 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.184 -3.989 8.526 1.00 0.00 H new ATOM 1038 N ILE A 70 -4.611 -6.453 3.334 1.00 0.00 N ATOM 1039 CA ILE A 70 -5.271 -7.439 2.488 1.00 0.00 C ATOM 1040 C ILE A 70 -5.396 -8.780 3.201 1.00 0.00 C ATOM 1041 O ILE A 70 -4.405 -9.338 3.673 1.00 0.00 O ATOM 1042 CB ILE A 70 -4.512 -7.643 1.163 1.00 0.00 C ATOM 1043 CG1 ILE A 70 -4.202 -6.293 0.515 1.00 0.00 C ATOM 1044 CG2 ILE A 70 -5.323 -8.517 0.218 1.00 0.00 C ATOM 1045 CD1 ILE A 70 -3.020 -6.333 -0.428 1.00 0.00 C ATOM 0 H ILE A 70 -3.769 -6.792 3.798 1.00 0.00 H new ATOM 0 HA ILE A 70 -6.267 -7.052 2.271 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.569 -8.148 1.375 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.081 -5.951 -0.031 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.008 -5.560 1.298 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -4.774 -8.652 -0.714 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.498 -9.488 0.681 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.279 -8.037 0.009 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.858 -5.341 -0.851 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.129 -6.645 0.118 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.219 -7.042 -1.232 1.00 0.00 H new ATOM 1057 N GLU A 71 -6.620 -9.294 3.275 1.00 0.00 N ATOM 1058 CA GLU A 71 -6.873 -10.572 3.931 1.00 0.00 C ATOM 1059 C GLU A 71 -8.256 -11.106 3.566 1.00 0.00 C ATOM 1060 O GLU A 71 -9.275 -10.441 3.753 1.00 0.00 O ATOM 1061 CB GLU A 71 -6.756 -10.423 5.449 1.00 0.00 C ATOM 1062 CG GLU A 71 -6.481 -11.732 6.170 1.00 0.00 C ATOM 1063 CD GLU A 71 -7.649 -12.696 6.094 1.00 0.00 C ATOM 1064 OE1 GLU A 71 -8.800 -12.251 6.284 1.00 0.00 O ATOM 1065 OE2 GLU A 71 -7.411 -13.897 5.844 1.00 0.00 O ATOM 0 H GLU A 71 -7.451 -8.846 2.889 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.124 -11.284 3.584 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.956 -9.718 5.676 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.680 -9.992 5.836 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.598 -12.202 5.737 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.252 -11.526 7.216 1.00 0.00 H new ATOM 1072 N PRO A 72 -8.292 -12.335 3.032 1.00 0.00 N ATOM 1073 CA PRO A 72 -7.086 -13.136 2.805 1.00 0.00 C ATOM 1074 C PRO A 72 -6.217 -12.570 1.686 1.00 0.00 C ATOM 1075 O PRO A 72 -6.412 -11.436 1.249 1.00 0.00 O ATOM 1076 CB PRO A 72 -7.639 -14.507 2.410 1.00 0.00 C ATOM 1077 CG PRO A 72 -8.989 -14.224 1.847 1.00 0.00 C ATOM 1078 CD PRO A 72 -9.515 -13.039 2.609 1.00 0.00 C ATOM 0 HA PRO A 72 -6.441 -13.159 3.683 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.998 -14.995 1.676 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.701 -15.172 3.271 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -8.929 -14.007 0.780 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -9.648 -15.085 1.961 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -10.146 -12.407 1.984 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.118 -13.346 3.464 1.00 0.00 H new ATOM 1086 N VAL A 73 -5.257 -13.367 1.228 1.00 0.00 N ATOM 1087 CA VAL A 73 -4.360 -12.946 0.159 1.00 0.00 C ATOM 1088 C VAL A 73 -4.315 -13.979 -0.961 1.00 0.00 C ATOM 1089 O VAL A 73 -4.427 -15.181 -0.717 1.00 0.00 O ATOM 1090 CB VAL A 73 -2.931 -12.714 0.685 1.00 0.00 C ATOM 1091 CG1 VAL A 73 -1.939 -12.665 -0.467 1.00 0.00 C ATOM 1092 CG2 VAL A 73 -2.867 -11.436 1.508 1.00 0.00 C ATOM 0 H VAL A 73 -5.081 -14.308 1.581 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.753 -12.008 -0.232 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.661 -13.549 1.331 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.935 -12.500 -0.076 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.966 -13.609 -1.011 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.204 -11.850 -1.141 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.850 -11.288 1.872 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.157 -10.588 0.887 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.548 -11.515 2.356 1.00 0.00 H new ATOM 1102 N THR A 74 -4.151 -13.504 -2.192 1.00 0.00 N ATOM 1103 CA THR A 74 -4.093 -14.386 -3.350 1.00 0.00 C ATOM 1104 C THR A 74 -2.800 -14.181 -4.133 1.00 0.00 C ATOM 1105 O THR A 74 -1.997 -13.308 -3.805 1.00 0.00 O ATOM 1106 CB THR A 74 -5.291 -14.157 -4.292 1.00 0.00 C ATOM 1107 OG1 THR A 74 -5.299 -12.802 -4.754 1.00 0.00 O ATOM 1108 CG2 THR A 74 -6.601 -14.465 -3.584 1.00 0.00 C ATOM 0 H THR A 74 -4.056 -12.513 -2.412 1.00 0.00 H new ATOM 0 HA THR A 74 -4.128 -15.407 -2.971 1.00 0.00 H new ATOM 0 HB THR A 74 -5.190 -14.829 -5.144 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.062 -12.665 -5.353 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.433 -14.296 -4.268 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.603 -15.506 -3.260 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.707 -13.814 -2.716 1.00 0.00 H new ATOM 1116 N SER A 75 -2.606 -14.992 -5.168 1.00 0.00 N ATOM 1117 CA SER A 75 -1.409 -14.901 -5.996 1.00 0.00 C ATOM 1118 C SER A 75 -1.417 -13.621 -6.825 1.00 0.00 C ATOM 1119 O SER A 75 -0.369 -13.139 -7.253 1.00 0.00 O ATOM 1120 CB SER A 75 -1.307 -16.119 -6.917 1.00 0.00 C ATOM 1121 OG SER A 75 -0.294 -15.937 -7.891 1.00 0.00 O ATOM 0 H SER A 75 -3.262 -15.719 -5.453 1.00 0.00 H new ATOM 0 HA SER A 75 -0.542 -14.879 -5.336 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.092 -17.009 -6.326 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.264 -16.287 -7.410 1.00 0.00 H new ATOM 0 HG SER A 75 -0.247 -16.729 -8.466 1.00 0.00 H new ATOM 1127 N ARG A 76 -2.609 -13.075 -7.048 1.00 0.00 N ATOM 1128 CA ARG A 76 -2.755 -11.852 -7.827 1.00 0.00 C ATOM 1129 C ARG A 76 -2.206 -10.651 -7.062 1.00 0.00 C ATOM 1130 O ARG A 76 -1.737 -9.683 -7.660 1.00 0.00 O ATOM 1131 CB ARG A 76 -4.226 -11.618 -8.177 1.00 0.00 C ATOM 1132 CG ARG A 76 -4.650 -12.265 -9.486 1.00 0.00 C ATOM 1133 CD ARG A 76 -5.078 -13.709 -9.280 1.00 0.00 C ATOM 1134 NE ARG A 76 -6.192 -13.822 -8.343 1.00 0.00 N ATOM 1135 CZ ARG A 76 -7.452 -13.548 -8.662 1.00 0.00 C ATOM 1136 NH1 ARG A 76 -7.756 -13.146 -9.889 1.00 0.00 N ATOM 1137 NH2 ARG A 76 -8.410 -13.675 -7.754 1.00 0.00 N ATOM 0 H ARG A 76 -3.487 -13.461 -6.700 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.183 -11.967 -8.748 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.849 -12.006 -7.371 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.411 -10.545 -8.235 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.473 -11.699 -9.923 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.824 -12.227 -10.196 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -5.365 -14.142 -10.238 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.232 -14.288 -8.909 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.992 -14.128 -7.391 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -7.022 -13.047 -10.590 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -8.724 -12.936 -10.132 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -8.180 -13.983 -6.809 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -9.377 -13.464 -8.000 1.00 0.00 H new ATOM 1151 N ASP A 77 -2.270 -10.722 -5.737 1.00 0.00 N ATOM 1152 CA ASP A 77 -1.779 -9.641 -4.889 1.00 0.00 C ATOM 1153 C ASP A 77 -0.282 -9.427 -5.093 1.00 0.00 C ATOM 1154 O ASP A 77 0.240 -8.343 -4.838 1.00 0.00 O ATOM 1155 CB ASP A 77 -2.067 -9.947 -3.419 1.00 0.00 C ATOM 1156 CG ASP A 77 -3.422 -9.433 -2.975 1.00 0.00 C ATOM 1157 OD1 ASP A 77 -3.698 -8.232 -3.179 1.00 0.00 O ATOM 1158 OD2 ASP A 77 -4.208 -10.232 -2.425 1.00 0.00 O ATOM 0 H ASP A 77 -2.657 -11.516 -5.227 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.300 -8.726 -5.171 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -2.020 -11.024 -3.259 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -1.291 -9.499 -2.799 1.00 0.00 H new ATOM 1163 N ALA A 78 0.402 -10.469 -5.555 1.00 0.00 N ATOM 1164 CA ALA A 78 1.838 -10.395 -5.794 1.00 0.00 C ATOM 1165 C ALA A 78 2.146 -9.544 -7.022 1.00 0.00 C ATOM 1166 O ALA A 78 1.668 -9.825 -8.120 1.00 0.00 O ATOM 1167 CB ALA A 78 2.418 -11.792 -5.958 1.00 0.00 C ATOM 0 H ALA A 78 -0.015 -11.374 -5.771 1.00 0.00 H new ATOM 0 HA ALA A 78 2.302 -9.920 -4.929 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.491 -11.722 -6.136 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.237 -12.370 -5.051 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.942 -12.287 -6.804 1.00 0.00 H new ATOM 1173 N GLY A 79 2.949 -8.502 -6.827 1.00 0.00 N ATOM 1174 CA GLY A 79 3.307 -7.626 -7.927 1.00 0.00 C ATOM 1175 C GLY A 79 4.066 -6.397 -7.467 1.00 0.00 C ATOM 1176 O GLY A 79 4.730 -6.422 -6.430 1.00 0.00 O ATOM 0 H GLY A 79 3.358 -8.249 -5.927 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.916 -8.178 -8.643 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.402 -7.316 -8.450 1.00 0.00 H new ATOM 1180 N ILE A 80 3.969 -5.320 -8.239 1.00 0.00 N ATOM 1181 CA ILE A 80 4.653 -4.077 -7.905 1.00 0.00 C ATOM 1182 C ILE A 80 3.656 -2.980 -7.549 1.00 0.00 C ATOM 1183 O ILE A 80 3.069 -2.351 -8.429 1.00 0.00 O ATOM 1184 CB ILE A 80 5.540 -3.592 -9.066 1.00 0.00 C ATOM 1185 CG1 ILE A 80 6.578 -4.658 -9.424 1.00 0.00 C ATOM 1186 CG2 ILE A 80 6.222 -2.282 -8.701 1.00 0.00 C ATOM 1187 CD1 ILE A 80 7.588 -4.910 -8.326 1.00 0.00 C ATOM 0 H ILE A 80 3.423 -5.283 -9.100 1.00 0.00 H new ATOM 0 HA ILE A 80 5.283 -4.287 -7.041 1.00 0.00 H new ATOM 0 HB ILE A 80 4.909 -3.419 -9.938 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.064 -5.591 -9.655 1.00 0.00 H new ATOM 0 HG13 ILE A 80 7.105 -4.352 -10.328 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.845 -1.952 -9.532 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.467 -1.525 -8.491 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.843 -2.429 -7.818 1.00 0.00 H new ATOM 0 HD11 ILE A 80 8.292 -5.677 -8.649 1.00 0.00 H new ATOM 0 HD12 ILE A 80 8.128 -3.988 -8.110 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.072 -5.247 -7.427 1.00 0.00 H new ATOM 1199 N TYR A 81 3.470 -2.755 -6.253 1.00 0.00 N ATOM 1200 CA TYR A 81 2.543 -1.734 -5.780 1.00 0.00 C ATOM 1201 C TYR A 81 3.164 -0.344 -5.884 1.00 0.00 C ATOM 1202 O TYR A 81 4.102 -0.013 -5.157 1.00 0.00 O ATOM 1203 CB TYR A 81 2.136 -2.015 -4.333 1.00 0.00 C ATOM 1204 CG TYR A 81 1.209 -3.201 -4.184 1.00 0.00 C ATOM 1205 CD1 TYR A 81 1.707 -4.498 -4.152 1.00 0.00 C ATOM 1206 CD2 TYR A 81 -0.165 -3.024 -4.075 1.00 0.00 C ATOM 1207 CE1 TYR A 81 0.864 -5.583 -4.018 1.00 0.00 C ATOM 1208 CE2 TYR A 81 -1.015 -4.104 -3.939 1.00 0.00 C ATOM 1209 CZ TYR A 81 -0.496 -5.382 -3.911 1.00 0.00 C ATOM 1210 OH TYR A 81 -1.340 -6.461 -3.775 1.00 0.00 O ATOM 0 H TYR A 81 3.949 -3.266 -5.511 1.00 0.00 H new ATOM 0 HA TYR A 81 1.656 -1.765 -6.412 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.033 -2.189 -3.739 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.649 -1.130 -3.923 1.00 0.00 H new ATOM 0 HD1 TYR A 81 2.772 -4.660 -4.233 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -0.575 -2.025 -4.097 1.00 0.00 H new ATOM 0 HE1 TYR A 81 1.268 -6.584 -3.997 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -2.081 -3.949 -3.855 1.00 0.00 H new ATOM 0 HH TYR A 81 -0.833 -7.290 -3.899 1.00 0.00 H new ATOM 1220 N THR A 82 2.634 0.468 -6.793 1.00 0.00 N ATOM 1221 CA THR A 82 3.134 1.822 -6.994 1.00 0.00 C ATOM 1222 C THR A 82 2.076 2.859 -6.634 1.00 0.00 C ATOM 1223 O THR A 82 0.901 2.700 -6.965 1.00 0.00 O ATOM 1224 CB THR A 82 3.581 2.045 -8.451 1.00 0.00 C ATOM 1225 OG1 THR A 82 4.515 1.031 -8.838 1.00 0.00 O ATOM 1226 CG2 THR A 82 4.216 3.417 -8.618 1.00 0.00 C ATOM 0 H THR A 82 1.858 0.211 -7.402 1.00 0.00 H new ATOM 0 HA THR A 82 3.994 1.942 -6.335 1.00 0.00 H new ATOM 0 HB THR A 82 2.700 1.990 -9.090 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.793 1.179 -9.766 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.524 3.552 -9.655 1.00 0.00 H new ATOM 0 HG22 THR A 82 3.493 4.188 -8.351 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.087 3.496 -7.968 1.00 0.00 H new ATOM 1234 N CYS A 83 2.501 3.919 -5.956 1.00 0.00 N ATOM 1235 CA CYS A 83 1.588 4.983 -5.552 1.00 0.00 C ATOM 1236 C CYS A 83 2.082 6.339 -6.044 1.00 0.00 C ATOM 1237 O CYS A 83 3.287 6.580 -6.125 1.00 0.00 O ATOM 1238 CB CYS A 83 1.438 5.003 -4.030 1.00 0.00 C ATOM 1239 SG CYS A 83 0.187 3.861 -3.397 1.00 0.00 S ATOM 0 H CYS A 83 3.470 4.065 -5.675 1.00 0.00 H new ATOM 0 HA CYS A 83 0.616 4.785 -6.004 1.00 0.00 H new ATOM 0 HB2 CYS A 83 2.399 4.759 -3.578 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.184 6.015 -3.714 1.00 0.00 H new ATOM 0 HG CYS A 83 0.708 2.677 -3.263 1.00 0.00 H new ATOM 1245 N ILE A 84 1.144 7.221 -6.372 1.00 0.00 N ATOM 1246 CA ILE A 84 1.485 8.553 -6.857 1.00 0.00 C ATOM 1247 C ILE A 84 0.713 9.628 -6.099 1.00 0.00 C ATOM 1248 O ILE A 84 -0.472 9.847 -6.348 1.00 0.00 O ATOM 1249 CB ILE A 84 1.196 8.695 -8.363 1.00 0.00 C ATOM 1250 CG1 ILE A 84 2.057 7.716 -9.165 1.00 0.00 C ATOM 1251 CG2 ILE A 84 1.447 10.125 -8.818 1.00 0.00 C ATOM 1252 CD1 ILE A 84 1.458 6.331 -9.270 1.00 0.00 C ATOM 0 H ILE A 84 0.142 7.038 -6.311 1.00 0.00 H new ATOM 0 HA ILE A 84 2.553 8.687 -6.686 1.00 0.00 H new ATOM 0 HB ILE A 84 0.147 8.457 -8.541 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.208 8.115 -10.168 1.00 0.00 H new ATOM 0 HG13 ILE A 84 3.040 7.644 -8.700 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.238 10.209 -9.885 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.795 10.802 -8.266 1.00 0.00 H new ATOM 0 HG23 ILE A 84 2.488 10.389 -8.630 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.121 5.691 -9.851 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.333 5.912 -8.272 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.488 6.391 -9.763 1.00 0.00 H new ATOM 1264 N ALA A 85 1.394 10.297 -5.175 1.00 0.00 N ATOM 1265 CA ALA A 85 0.774 11.352 -4.384 1.00 0.00 C ATOM 1266 C ALA A 85 0.962 12.715 -5.042 1.00 0.00 C ATOM 1267 O ALA A 85 2.074 13.240 -5.101 1.00 0.00 O ATOM 1268 CB ALA A 85 1.347 11.361 -2.974 1.00 0.00 C ATOM 0 H ALA A 85 2.376 10.127 -4.956 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.296 11.149 -4.329 1.00 0.00 H new ATOM 0 HB1 ALA A 85 0.875 12.154 -2.394 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.155 10.400 -2.497 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.422 11.536 -3.019 1.00 0.00 H new ATOM 1274 N THR A 86 -0.133 13.284 -5.536 1.00 0.00 N ATOM 1275 CA THR A 86 -0.089 14.585 -6.192 1.00 0.00 C ATOM 1276 C THR A 86 -0.861 15.630 -5.394 1.00 0.00 C ATOM 1277 O THR A 86 -2.076 15.526 -5.231 1.00 0.00 O ATOM 1278 CB THR A 86 -0.666 14.515 -7.618 1.00 0.00 C ATOM 1279 OG1 THR A 86 -0.228 13.315 -8.266 1.00 0.00 O ATOM 1280 CG2 THR A 86 -0.236 15.724 -8.436 1.00 0.00 C ATOM 0 H THR A 86 -1.062 12.864 -5.494 1.00 0.00 H new ATOM 0 HA THR A 86 0.960 14.876 -6.247 1.00 0.00 H new ATOM 0 HB THR A 86 -1.754 14.513 -7.546 1.00 0.00 H new ATOM 0 HG1 THR A 86 -0.601 13.277 -9.172 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.656 15.652 -9.439 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.596 16.634 -7.956 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.852 15.753 -8.499 1.00 0.00 H new ATOM 1288 N ASN A 87 -0.147 16.636 -4.900 1.00 0.00 N ATOM 1289 CA ASN A 87 -0.767 17.701 -4.119 1.00 0.00 C ATOM 1290 C ASN A 87 -0.582 19.053 -4.800 1.00 0.00 C ATOM 1291 O ASN A 87 0.016 19.143 -5.872 1.00 0.00 O ATOM 1292 CB ASN A 87 -0.171 17.741 -2.710 1.00 0.00 C ATOM 1293 CG ASN A 87 1.242 18.289 -2.695 1.00 0.00 C ATOM 1294 OD1 ASN A 87 1.995 18.123 -3.656 1.00 0.00 O ATOM 1295 ND2 ASN A 87 1.610 18.948 -1.602 1.00 0.00 N ATOM 0 H ASN A 87 0.860 16.736 -5.026 1.00 0.00 H new ATOM 0 HA ASN A 87 -1.835 17.493 -4.049 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -0.803 18.356 -2.069 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -0.172 16.735 -2.289 1.00 0.00 H new ATOM 0 HD21 ASN A 87 2.549 19.340 -1.535 1.00 0.00 H new ATOM 0 HD22 ASN A 87 0.953 19.062 -0.830 1.00 0.00 H new ATOM 1302 N ARG A 88 -1.098 20.103 -4.169 1.00 0.00 N ATOM 1303 CA ARG A 88 -0.990 21.451 -4.713 1.00 0.00 C ATOM 1304 C ARG A 88 0.462 21.793 -5.036 1.00 0.00 C ATOM 1305 O ARG A 88 0.755 22.377 -6.079 1.00 0.00 O ATOM 1306 CB ARG A 88 -1.557 22.471 -3.724 1.00 0.00 C ATOM 1307 CG ARG A 88 -1.850 23.826 -4.347 1.00 0.00 C ATOM 1308 CD ARG A 88 -0.591 24.671 -4.460 1.00 0.00 C ATOM 1309 NE ARG A 88 -0.888 26.101 -4.450 1.00 0.00 N ATOM 1310 CZ ARG A 88 -1.325 26.753 -3.379 1.00 0.00 C ATOM 1311 NH1 ARG A 88 -1.514 26.108 -2.237 1.00 0.00 N ATOM 1312 NH2 ARG A 88 -1.574 28.055 -3.450 1.00 0.00 N ATOM 0 H ARG A 88 -1.595 20.046 -3.280 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.569 21.490 -5.636 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -2.475 22.073 -3.291 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -0.850 22.602 -2.905 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.286 23.686 -5.336 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.590 24.352 -3.744 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.080 24.434 -3.634 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -0.065 24.417 -5.380 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.752 26.628 -5.313 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.324 25.108 -2.179 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -1.850 26.612 -1.416 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -1.430 28.555 -4.327 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -1.910 28.556 -2.627 1.00 0.00 H new ATOM 1326 N ALA A 89 1.365 21.425 -4.134 1.00 0.00 N ATOM 1327 CA ALA A 89 2.786 21.690 -4.323 1.00 0.00 C ATOM 1328 C ALA A 89 3.317 20.980 -5.564 1.00 0.00 C ATOM 1329 O ALA A 89 3.731 21.621 -6.529 1.00 0.00 O ATOM 1330 CB ALA A 89 3.571 21.264 -3.092 1.00 0.00 C ATOM 0 H ALA A 89 1.138 20.942 -3.265 1.00 0.00 H new ATOM 0 HA ALA A 89 2.914 22.763 -4.468 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.630 21.468 -3.248 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.218 21.821 -2.224 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.428 20.197 -2.921 1.00 0.00 H new ATOM 1336 N GLY A 90 3.303 19.651 -5.530 1.00 0.00 N ATOM 1337 CA GLY A 90 3.787 18.875 -6.657 1.00 0.00 C ATOM 1338 C GLY A 90 3.252 17.457 -6.658 1.00 0.00 C ATOM 1339 O GLY A 90 2.064 17.235 -6.422 1.00 0.00 O ATOM 0 H GLY A 90 2.965 19.098 -4.742 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.499 19.369 -7.585 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.876 18.849 -6.635 1.00 0.00 H new ATOM 1343 N GLN A 91 4.129 16.495 -6.924 1.00 0.00 N ATOM 1344 CA GLN A 91 3.737 15.091 -6.956 1.00 0.00 C ATOM 1345 C GLN A 91 4.955 14.182 -6.826 1.00 0.00 C ATOM 1346 O GLN A 91 6.081 14.595 -7.100 1.00 0.00 O ATOM 1347 CB GLN A 91 2.989 14.778 -8.253 1.00 0.00 C ATOM 1348 CG GLN A 91 3.885 14.752 -9.481 1.00 0.00 C ATOM 1349 CD GLN A 91 4.720 13.490 -9.568 1.00 0.00 C ATOM 1350 OE1 GLN A 91 5.937 13.548 -9.751 1.00 0.00 O ATOM 1351 NE2 GLN A 91 4.070 12.340 -9.436 1.00 0.00 N ATOM 0 H GLN A 91 5.116 16.662 -7.121 1.00 0.00 H new ATOM 0 HA GLN A 91 3.076 14.905 -6.109 1.00 0.00 H new ATOM 0 HB2 GLN A 91 2.495 13.812 -8.154 1.00 0.00 H new ATOM 0 HB3 GLN A 91 2.207 15.522 -8.400 1.00 0.00 H new ATOM 0 HG2 GLN A 91 3.270 14.838 -10.377 1.00 0.00 H new ATOM 0 HG3 GLN A 91 4.545 15.619 -9.463 1.00 0.00 H new ATOM 0 HE21 GLN A 91 3.061 12.339 -9.286 1.00 0.00 H new ATOM 0 HE22 GLN A 91 4.579 11.458 -9.485 1.00 0.00 H new ATOM 1360 N ASN A 92 4.721 12.943 -6.405 1.00 0.00 N ATOM 1361 CA ASN A 92 5.799 11.976 -6.237 1.00 0.00 C ATOM 1362 C ASN A 92 5.332 10.571 -6.605 1.00 0.00 C ATOM 1363 O ASN A 92 4.150 10.347 -6.866 1.00 0.00 O ATOM 1364 CB ASN A 92 6.309 11.995 -4.795 1.00 0.00 C ATOM 1365 CG ASN A 92 7.391 13.036 -4.577 1.00 0.00 C ATOM 1366 OD1 ASN A 92 7.185 14.223 -4.831 1.00 0.00 O ATOM 1367 ND2 ASN A 92 8.550 12.594 -4.105 1.00 0.00 N ATOM 0 H ASN A 92 3.794 12.585 -6.174 1.00 0.00 H new ATOM 0 HA ASN A 92 6.612 12.256 -6.907 1.00 0.00 H new ATOM 0 HB2 ASN A 92 5.476 12.194 -4.121 1.00 0.00 H new ATOM 0 HB3 ASN A 92 6.699 11.010 -4.538 1.00 0.00 H new ATOM 0 HD21 ASN A 92 9.315 13.247 -3.938 1.00 0.00 H new ATOM 0 HD22 ASN A 92 8.675 11.601 -3.909 1.00 0.00 H new ATOM 1374 N SER A 93 6.269 9.628 -6.624 1.00 0.00 N ATOM 1375 CA SER A 93 5.954 8.245 -6.962 1.00 0.00 C ATOM 1376 C SER A 93 6.947 7.287 -6.311 1.00 0.00 C ATOM 1377 O SER A 93 8.112 7.627 -6.105 1.00 0.00 O ATOM 1378 CB SER A 93 5.966 8.055 -8.480 1.00 0.00 C ATOM 1379 OG SER A 93 7.212 8.443 -9.034 1.00 0.00 O ATOM 0 H SER A 93 7.252 9.797 -6.409 1.00 0.00 H new ATOM 0 HA SER A 93 4.957 8.021 -6.582 1.00 0.00 H new ATOM 0 HB2 SER A 93 5.767 7.011 -8.720 1.00 0.00 H new ATOM 0 HB3 SER A 93 5.166 8.643 -8.929 1.00 0.00 H new ATOM 0 HG SER A 93 7.194 8.310 -10.005 1.00 0.00 H new ATOM 1385 N PHE A 94 6.475 6.087 -5.987 1.00 0.00 N ATOM 1386 CA PHE A 94 7.320 5.079 -5.357 1.00 0.00 C ATOM 1387 C PHE A 94 6.792 3.675 -5.639 1.00 0.00 C ATOM 1388 O PHE A 94 5.595 3.414 -5.517 1.00 0.00 O ATOM 1389 CB PHE A 94 7.393 5.315 -3.848 1.00 0.00 C ATOM 1390 CG PHE A 94 6.291 4.642 -3.081 1.00 0.00 C ATOM 1391 CD1 PHE A 94 6.306 3.271 -2.880 1.00 0.00 C ATOM 1392 CD2 PHE A 94 5.240 5.380 -2.561 1.00 0.00 C ATOM 1393 CE1 PHE A 94 5.293 2.649 -2.175 1.00 0.00 C ATOM 1394 CE2 PHE A 94 4.224 4.764 -1.855 1.00 0.00 C ATOM 1395 CZ PHE A 94 4.251 3.397 -1.661 1.00 0.00 C ATOM 0 H PHE A 94 5.513 5.789 -6.150 1.00 0.00 H new ATOM 0 HA PHE A 94 8.321 5.164 -5.779 1.00 0.00 H new ATOM 0 HB2 PHE A 94 8.354 4.956 -3.478 1.00 0.00 H new ATOM 0 HB3 PHE A 94 7.357 6.387 -3.654 1.00 0.00 H new ATOM 0 HD1 PHE A 94 7.119 2.682 -3.279 1.00 0.00 H new ATOM 0 HD2 PHE A 94 5.214 6.449 -2.709 1.00 0.00 H new ATOM 0 HE1 PHE A 94 5.316 1.580 -2.026 1.00 0.00 H new ATOM 0 HE2 PHE A 94 3.410 5.351 -1.456 1.00 0.00 H new ATOM 0 HZ PHE A 94 3.459 2.913 -1.108 1.00 0.00 H new ATOM 1405 N SER A 95 7.694 2.774 -6.016 1.00 0.00 N ATOM 1406 CA SER A 95 7.319 1.398 -6.319 1.00 0.00 C ATOM 1407 C SER A 95 7.915 0.435 -5.296 1.00 0.00 C ATOM 1408 O SER A 95 8.970 0.700 -4.717 1.00 0.00 O ATOM 1409 CB SER A 95 7.786 1.018 -7.726 1.00 0.00 C ATOM 1410 OG SER A 95 9.197 1.090 -7.832 1.00 0.00 O ATOM 0 H SER A 95 8.689 2.972 -6.119 1.00 0.00 H new ATOM 0 HA SER A 95 6.232 1.325 -6.272 1.00 0.00 H new ATOM 0 HB2 SER A 95 7.451 0.008 -7.963 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.329 1.685 -8.457 1.00 0.00 H new ATOM 0 HG SER A 95 9.470 0.841 -8.740 1.00 0.00 H new ATOM 1416 N LEU A 96 7.233 -0.683 -5.078 1.00 0.00 N ATOM 1417 CA LEU A 96 7.693 -1.688 -4.126 1.00 0.00 C ATOM 1418 C LEU A 96 7.479 -3.095 -4.672 1.00 0.00 C ATOM 1419 O LEU A 96 6.696 -3.299 -5.599 1.00 0.00 O ATOM 1420 CB LEU A 96 6.959 -1.529 -2.793 1.00 0.00 C ATOM 1421 CG LEU A 96 5.518 -2.037 -2.755 1.00 0.00 C ATOM 1422 CD1 LEU A 96 5.479 -3.501 -2.347 1.00 0.00 C ATOM 1423 CD2 LEU A 96 4.679 -1.194 -1.806 1.00 0.00 C ATOM 0 H LEU A 96 6.358 -0.917 -5.548 1.00 0.00 H new ATOM 0 HA LEU A 96 8.761 -1.539 -3.967 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.528 -2.052 -2.024 1.00 0.00 H new ATOM 0 HB3 LEU A 96 6.958 -0.472 -2.526 1.00 0.00 H new ATOM 0 HG LEU A 96 5.096 -1.949 -3.756 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.445 -3.845 -2.325 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.044 -4.094 -3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.920 -3.615 -1.357 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.656 -1.571 -1.792 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.100 -1.249 -0.802 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.679 -0.157 -2.143 1.00 0.00 H new ATOM 1435 N GLU A 97 8.180 -4.063 -4.090 1.00 0.00 N ATOM 1436 CA GLU A 97 8.065 -5.452 -4.519 1.00 0.00 C ATOM 1437 C GLU A 97 7.411 -6.304 -3.435 1.00 0.00 C ATOM 1438 O GLU A 97 7.641 -6.096 -2.243 1.00 0.00 O ATOM 1439 CB GLU A 97 9.444 -6.019 -4.865 1.00 0.00 C ATOM 1440 CG GLU A 97 9.416 -7.481 -5.278 1.00 0.00 C ATOM 1441 CD GLU A 97 9.111 -7.664 -6.752 1.00 0.00 C ATOM 1442 OE1 GLU A 97 9.724 -6.957 -7.578 1.00 0.00 O ATOM 1443 OE2 GLU A 97 8.259 -8.517 -7.078 1.00 0.00 O ATOM 0 H GLU A 97 8.833 -3.911 -3.321 1.00 0.00 H new ATOM 0 HA GLU A 97 7.435 -5.479 -5.408 1.00 0.00 H new ATOM 0 HB2 GLU A 97 9.877 -5.430 -5.674 1.00 0.00 H new ATOM 0 HB3 GLU A 97 10.100 -5.907 -4.002 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.379 -7.938 -5.051 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.666 -8.007 -4.687 1.00 0.00 H new ATOM 1450 N LEU A 98 6.594 -7.263 -3.857 1.00 0.00 N ATOM 1451 CA LEU A 98 5.905 -8.147 -2.923 1.00 0.00 C ATOM 1452 C LEU A 98 5.868 -9.577 -3.454 1.00 0.00 C ATOM 1453 O LEU A 98 5.276 -9.847 -4.499 1.00 0.00 O ATOM 1454 CB LEU A 98 4.481 -7.647 -2.673 1.00 0.00 C ATOM 1455 CG LEU A 98 3.516 -8.655 -2.049 1.00 0.00 C ATOM 1456 CD1 LEU A 98 3.975 -9.040 -0.651 1.00 0.00 C ATOM 1457 CD2 LEU A 98 2.104 -8.088 -2.011 1.00 0.00 C ATOM 0 H LEU A 98 6.393 -7.448 -4.840 1.00 0.00 H new ATOM 0 HA LEU A 98 6.456 -8.142 -1.982 1.00 0.00 H new ATOM 0 HB2 LEU A 98 4.533 -6.774 -2.023 1.00 0.00 H new ATOM 0 HB3 LEU A 98 4.062 -7.313 -3.623 1.00 0.00 H new ATOM 0 HG LEU A 98 3.510 -9.553 -2.667 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.275 -9.758 -0.223 1.00 0.00 H new ATOM 0 HD12 LEU A 98 4.967 -9.488 -0.704 1.00 0.00 H new ATOM 0 HD13 LEU A 98 4.012 -8.150 -0.022 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.430 -8.819 -1.564 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.095 -7.174 -1.417 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.774 -7.864 -3.026 1.00 0.00 H new ATOM 1469 N VAL A 99 6.502 -10.490 -2.725 1.00 0.00 N ATOM 1470 CA VAL A 99 6.538 -11.893 -3.119 1.00 0.00 C ATOM 1471 C VAL A 99 5.462 -12.695 -2.397 1.00 0.00 C ATOM 1472 O VAL A 99 5.298 -12.582 -1.182 1.00 0.00 O ATOM 1473 CB VAL A 99 7.914 -12.522 -2.829 1.00 0.00 C ATOM 1474 CG1 VAL A 99 7.966 -13.953 -3.343 1.00 0.00 C ATOM 1475 CG2 VAL A 99 9.024 -11.684 -3.447 1.00 0.00 C ATOM 0 H VAL A 99 6.998 -10.283 -1.858 1.00 0.00 H new ATOM 0 HA VAL A 99 6.351 -11.925 -4.192 1.00 0.00 H new ATOM 0 HB VAL A 99 8.064 -12.543 -1.750 1.00 0.00 H new ATOM 0 HG11 VAL A 99 8.945 -14.381 -3.129 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.196 -14.545 -2.849 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.794 -13.959 -4.419 1.00 0.00 H new ATOM 0 HG21 VAL A 99 9.989 -12.143 -3.232 1.00 0.00 H new ATOM 0 HG22 VAL A 99 8.880 -11.629 -4.526 1.00 0.00 H new ATOM 0 HG23 VAL A 99 8.999 -10.679 -3.026 1.00 0.00 H new ATOM 1485 N VAL A 100 4.730 -13.508 -3.153 1.00 0.00 N ATOM 1486 CA VAL A 100 3.670 -14.332 -2.585 1.00 0.00 C ATOM 1487 C VAL A 100 3.907 -15.809 -2.875 1.00 0.00 C ATOM 1488 O VAL A 100 3.929 -16.229 -4.031 1.00 0.00 O ATOM 1489 CB VAL A 100 2.289 -13.927 -3.134 1.00 0.00 C ATOM 1490 CG1 VAL A 100 1.201 -14.816 -2.553 1.00 0.00 C ATOM 1491 CG2 VAL A 100 2.007 -12.462 -2.837 1.00 0.00 C ATOM 0 H VAL A 100 4.852 -13.613 -4.160 1.00 0.00 H new ATOM 0 HA VAL A 100 3.686 -14.170 -1.507 1.00 0.00 H new ATOM 0 HB VAL A 100 2.294 -14.061 -4.216 1.00 0.00 H new ATOM 0 HG11 VAL A 100 0.233 -14.514 -2.953 1.00 0.00 H new ATOM 0 HG12 VAL A 100 1.397 -15.854 -2.822 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.192 -14.718 -1.467 1.00 0.00 H new ATOM 0 HG21 VAL A 100 1.027 -12.193 -3.232 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.021 -12.300 -1.759 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.770 -11.842 -3.307 1.00 0.00 H new ATOM 1501 N ALA A 101 4.083 -16.594 -1.817 1.00 0.00 N ATOM 1502 CA ALA A 101 4.316 -18.026 -1.958 1.00 0.00 C ATOM 1503 C ALA A 101 3.001 -18.799 -1.953 1.00 0.00 C ATOM 1504 O ALA A 101 2.262 -18.779 -0.969 1.00 0.00 O ATOM 1505 CB ALA A 101 5.227 -18.524 -0.846 1.00 0.00 C ATOM 0 H ALA A 101 4.069 -16.262 -0.853 1.00 0.00 H new ATOM 0 HA ALA A 101 4.804 -18.197 -2.917 1.00 0.00 H new ATOM 0 HB1 ALA A 101 5.393 -19.595 -0.963 1.00 0.00 H new ATOM 0 HB2 ALA A 101 6.182 -18.001 -0.897 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.760 -18.333 0.120 1.00 0.00 H new ATOM 1511 N ALA A 102 2.716 -19.478 -3.059 1.00 0.00 N ATOM 1512 CA ALA A 102 1.491 -20.258 -3.182 1.00 0.00 C ATOM 1513 C ALA A 102 1.345 -21.237 -2.022 1.00 0.00 C ATOM 1514 O ALA A 102 2.324 -21.838 -1.576 1.00 0.00 O ATOM 1515 CB ALA A 102 1.469 -21.002 -4.509 1.00 0.00 C ATOM 0 H ALA A 102 3.317 -19.504 -3.883 1.00 0.00 H new ATOM 0 HA ALA A 102 0.647 -19.569 -3.151 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.548 -21.580 -4.587 1.00 0.00 H new ATOM 0 HB2 ALA A 102 1.518 -20.285 -5.329 1.00 0.00 H new ATOM 0 HB3 ALA A 102 2.325 -21.674 -4.563 1.00 0.00 H new