USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 594 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 56 SER OG : rot 180:sc= 0.013 USER MOD Set 1.2: A 57 MET CE :methyl 156:sc= -2.51 (180deg=-3.81!) USER MOD Set 2.1: A 49 ASN :FLIP amide:sc= -0.0177 F(o=-2.1!,f=0.43) USER MOD Set 2.2: A 50 SER OG : rot -113:sc= 0.451 USER MOD Set 3.1: A 33 GLN : amide:sc= -2.35 K(o=-2.4,f=-6.7!) USER MOD Set 3.2: A 76 LYS NZ :NH3+ -171:sc= -0.0489 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.297 K(o=-0.3,f=-1.2) USER MOD Single : A 26 LYS NZ :NH3+ -165:sc= -0.0907 (180deg=-0.452) USER MOD Single : A 30 GLN : amide:sc= -6.24! C(o=-6.2!,f=-8.1!) USER MOD Single : A 32 GLN : amide:sc= -0.769 K(o=-0.77,f=-4.8!) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 38 THR OG1 : rot -75:sc= 1.19 USER MOD Single : A 43 CYS SG : rot 55:sc= 1.17 USER MOD Single : A 45 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0343) USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -1.34 K(o=-1.3,f=-6.4!) USER MOD Single : A 48 ASN :FLIP amide:sc=-0.00232 F(o=-0.96,f=-0.0023) USER MOD Single : A 54 SER OG : rot -79:sc= 0.054 USER MOD Single : A 55 ASN :FLIP amide:sc= -0.096 F(o=-2.4!,f=-0.096) USER MOD Single : A 60 THR OG1 : rot 72:sc= 1.2 USER MOD Single : A 64 GLN :FLIP amide:sc= -0.546 F(o=-1.5,f=-0.55) USER MOD Single : A 65 LYS NZ :NH3+ 147:sc= 2.27 (180deg=0.954) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl -111:sc= -1.63 (180deg=-4.69!) USER MOD Single : A 71 GLN :FLIP amide:sc= -0.0327 F(o=-1.2!,f=-0.033) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -107:sc= -3.76 (180deg=-6.25!) USER MOD Single : A 87 TYR OH : rot 130:sc= 0 USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0618 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 46 N VAL A 22 11.091 -5.456 -7.445 1.00 0.00 N ATOM 47 CA VAL A 22 12.139 -4.451 -7.292 1.00 0.00 C ATOM 48 C VAL A 22 11.961 -3.679 -5.980 1.00 0.00 C ATOM 49 O VAL A 22 12.738 -2.783 -5.652 1.00 0.00 O ATOM 50 CB VAL A 22 12.124 -3.466 -8.488 1.00 0.00 C ATOM 51 CG1 VAL A 22 10.902 -2.556 -8.430 1.00 0.00 C ATOM 52 CG2 VAL A 22 13.408 -2.648 -8.538 1.00 0.00 C ATOM 0 HA VAL A 22 13.100 -4.965 -7.268 1.00 0.00 H new ATOM 0 HB VAL A 22 12.064 -4.053 -9.404 1.00 0.00 H new ATOM 0 HG11 VAL A 22 10.915 -1.874 -9.280 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.996 -3.161 -8.464 1.00 0.00 H new ATOM 0 HG13 VAL A 22 10.920 -1.981 -7.504 1.00 0.00 H new ATOM 0 HG21 VAL A 22 13.371 -1.965 -9.387 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.511 -2.076 -7.616 1.00 0.00 H new ATOM 0 HG23 VAL A 22 14.262 -3.317 -8.647 1.00 0.00 H new ATOM 62 N LEU A 23 10.937 -4.051 -5.228 1.00 0.00 N ATOM 63 CA LEU A 23 10.613 -3.374 -3.983 1.00 0.00 C ATOM 64 C LEU A 23 11.579 -3.811 -2.889 1.00 0.00 C ATOM 65 O LEU A 23 11.366 -4.824 -2.221 1.00 0.00 O ATOM 66 CB LEU A 23 9.169 -3.682 -3.576 1.00 0.00 C ATOM 67 CG LEU A 23 8.142 -3.665 -4.718 1.00 0.00 C ATOM 68 CD1 LEU A 23 6.730 -3.746 -4.164 1.00 0.00 C ATOM 69 CD2 LEU A 23 8.306 -2.427 -5.597 1.00 0.00 C ATOM 0 H LEU A 23 10.313 -4.823 -5.461 1.00 0.00 H new ATOM 0 HA LEU A 23 10.710 -2.298 -4.127 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.145 -4.664 -3.104 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.860 -2.958 -2.822 1.00 0.00 H new ATOM 0 HG LEU A 23 8.322 -4.540 -5.343 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.015 -3.733 -4.987 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.614 -4.670 -3.597 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.546 -2.894 -3.510 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.564 -2.447 -6.395 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.166 -1.531 -4.993 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.306 -2.419 -6.031 1.00 0.00 H new ATOM 81 N GLN A 24 12.653 -3.056 -2.729 1.00 0.00 N ATOM 82 CA GLN A 24 13.698 -3.405 -1.783 1.00 0.00 C ATOM 83 C GLN A 24 13.405 -2.888 -0.383 1.00 0.00 C ATOM 84 O GLN A 24 13.315 -1.682 -0.150 1.00 0.00 O ATOM 85 CB GLN A 24 15.049 -2.887 -2.265 1.00 0.00 C ATOM 86 CG GLN A 24 15.578 -3.636 -3.473 1.00 0.00 C ATOM 87 CD GLN A 24 15.709 -5.123 -3.209 1.00 0.00 C ATOM 88 OE1 GLN A 24 15.940 -5.546 -2.074 1.00 0.00 O ATOM 89 NE2 GLN A 24 15.557 -5.929 -4.245 1.00 0.00 N ATOM 0 H GLN A 24 12.824 -2.193 -3.245 1.00 0.00 H new ATOM 0 HA GLN A 24 13.729 -4.493 -1.727 1.00 0.00 H new ATOM 0 HB2 GLN A 24 14.958 -1.829 -2.512 1.00 0.00 H new ATOM 0 HB3 GLN A 24 15.772 -2.964 -1.453 1.00 0.00 H new ATOM 0 HG2 GLN A 24 14.910 -3.476 -4.319 1.00 0.00 H new ATOM 0 HG3 GLN A 24 16.550 -3.231 -3.753 1.00 0.00 H new ATOM 0 HE21 GLN A 24 15.367 -5.541 -5.169 1.00 0.00 H new ATOM 0 HE22 GLN A 24 15.630 -6.939 -4.121 1.00 0.00 H new ATOM 98 N PHE A 25 13.259 -3.816 0.544 1.00 0.00 N ATOM 99 CA PHE A 25 13.076 -3.482 1.942 1.00 0.00 C ATOM 100 C PHE A 25 14.422 -3.522 2.643 1.00 0.00 C ATOM 101 O PHE A 25 15.190 -4.476 2.493 1.00 0.00 O ATOM 102 CB PHE A 25 12.084 -4.447 2.593 1.00 0.00 C ATOM 103 CG PHE A 25 10.830 -4.634 1.786 1.00 0.00 C ATOM 104 CD1 PHE A 25 9.885 -3.624 1.703 1.00 0.00 C ATOM 105 CD2 PHE A 25 10.597 -5.823 1.114 1.00 0.00 C ATOM 106 CE1 PHE A 25 8.731 -3.796 0.963 1.00 0.00 C ATOM 107 CE2 PHE A 25 9.445 -6.000 0.373 1.00 0.00 C ATOM 108 CZ PHE A 25 8.513 -4.970 0.292 1.00 0.00 C ATOM 0 H PHE A 25 13.264 -4.817 0.350 1.00 0.00 H new ATOM 0 HA PHE A 25 12.664 -2.477 2.030 1.00 0.00 H new ATOM 0 HB2 PHE A 25 12.566 -5.414 2.734 1.00 0.00 H new ATOM 0 HB3 PHE A 25 11.820 -4.075 3.583 1.00 0.00 H new ATOM 0 HD1 PHE A 25 10.052 -2.692 2.222 1.00 0.00 H new ATOM 0 HD2 PHE A 25 11.324 -6.620 1.170 1.00 0.00 H new ATOM 0 HE1 PHE A 25 7.999 -3.003 0.914 1.00 0.00 H new ATOM 0 HE2 PHE A 25 9.268 -6.933 -0.141 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.618 -5.096 -0.300 1.00 0.00 H new ATOM 118 N LYS A 26 14.697 -2.444 3.373 1.00 0.00 N ATOM 119 CA LYS A 26 15.948 -2.254 4.089 1.00 0.00 C ATOM 120 C LYS A 26 16.238 -3.432 5.009 1.00 0.00 C ATOM 121 O LYS A 26 17.392 -3.790 5.236 1.00 0.00 O ATOM 122 CB LYS A 26 15.856 -0.940 4.873 1.00 0.00 C ATOM 123 CG LYS A 26 16.530 -0.955 6.229 1.00 0.00 C ATOM 124 CD LYS A 26 15.501 -0.876 7.344 1.00 0.00 C ATOM 125 CE LYS A 26 14.794 0.470 7.387 1.00 0.00 C ATOM 126 NZ LYS A 26 15.748 1.610 7.433 1.00 0.00 N ATOM 0 H LYS A 26 14.044 -1.668 3.483 1.00 0.00 H new ATOM 0 HA LYS A 26 16.776 -2.200 3.382 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.298 -0.145 4.273 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.804 -0.689 5.010 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.120 -1.865 6.337 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.221 -0.116 6.306 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.763 -1.667 7.210 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.991 -1.056 8.301 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.155 0.570 6.510 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.144 0.508 8.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.243 2.474 7.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.498 1.407 8.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.171 1.747 6.493 1.00 0.00 H new ATOM 140 N ASP A 27 15.175 -4.018 5.523 1.00 0.00 N ATOM 141 CA ASP A 27 15.256 -5.211 6.338 1.00 0.00 C ATOM 142 C ASP A 27 13.864 -5.815 6.416 1.00 0.00 C ATOM 143 O ASP A 27 12.963 -5.366 5.699 1.00 0.00 O ATOM 144 CB ASP A 27 15.793 -4.890 7.741 1.00 0.00 C ATOM 145 CG ASP A 27 14.745 -4.293 8.657 1.00 0.00 C ATOM 146 OD1 ASP A 27 14.067 -3.335 8.231 1.00 0.00 O ATOM 147 OD2 ASP A 27 14.616 -4.752 9.812 1.00 0.00 O ATOM 0 H ASP A 27 14.224 -3.676 5.385 1.00 0.00 H new ATOM 0 HA ASP A 27 15.951 -5.921 5.890 1.00 0.00 H new ATOM 0 HB2 ASP A 27 16.183 -5.803 8.192 1.00 0.00 H new ATOM 0 HB3 ASP A 27 16.628 -4.195 7.653 1.00 0.00 H new ATOM 152 N GLU A 28 13.667 -6.800 7.276 1.00 0.00 N ATOM 153 CA GLU A 28 12.359 -7.410 7.424 1.00 0.00 C ATOM 154 C GLU A 28 11.356 -6.386 7.945 1.00 0.00 C ATOM 155 O GLU A 28 10.176 -6.448 7.615 1.00 0.00 O ATOM 156 CB GLU A 28 12.409 -8.631 8.356 1.00 0.00 C ATOM 157 CG GLU A 28 12.826 -8.318 9.787 1.00 0.00 C ATOM 158 CD GLU A 28 14.327 -8.184 9.965 1.00 0.00 C ATOM 159 OE1 GLU A 28 15.071 -8.296 8.967 1.00 0.00 O ATOM 160 OE2 GLU A 28 14.769 -7.979 11.115 1.00 0.00 O ATOM 0 H GLU A 28 14.391 -7.191 7.878 1.00 0.00 H new ATOM 0 HA GLU A 28 12.038 -7.755 6.441 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.425 -9.100 8.372 1.00 0.00 H new ATOM 0 HB3 GLU A 28 13.103 -9.361 7.940 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.347 -7.391 10.102 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.459 -9.106 10.445 1.00 0.00 H new ATOM 167 N ALA A 29 11.838 -5.422 8.726 1.00 0.00 N ATOM 168 CA ALA A 29 10.977 -4.404 9.307 1.00 0.00 C ATOM 169 C ALA A 29 10.404 -3.483 8.240 1.00 0.00 C ATOM 170 O ALA A 29 9.228 -3.122 8.298 1.00 0.00 O ATOM 171 CB ALA A 29 11.724 -3.584 10.338 1.00 0.00 C ATOM 0 H ALA A 29 12.824 -5.328 8.970 1.00 0.00 H new ATOM 0 HA ALA A 29 10.153 -4.924 9.795 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.057 -2.830 10.756 1.00 0.00 H new ATOM 0 HB2 ALA A 29 12.079 -4.237 11.135 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.575 -3.093 9.866 1.00 0.00 H new ATOM 177 N GLN A 30 11.228 -3.094 7.265 1.00 0.00 N ATOM 178 CA GLN A 30 10.736 -2.260 6.170 1.00 0.00 C ATOM 179 C GLN A 30 9.643 -3.012 5.425 1.00 0.00 C ATOM 180 O GLN A 30 8.693 -2.425 4.908 1.00 0.00 O ATOM 181 CB GLN A 30 11.833 -1.873 5.169 1.00 0.00 C ATOM 182 CG GLN A 30 11.508 -0.572 4.463 1.00 0.00 C ATOM 183 CD GLN A 30 12.361 -0.310 3.239 1.00 0.00 C ATOM 184 OE1 GLN A 30 13.449 0.250 3.333 1.00 0.00 O ATOM 185 NE2 GLN A 30 11.856 -0.686 2.077 1.00 0.00 N ATOM 0 H GLN A 30 12.217 -3.337 7.211 1.00 0.00 H new ATOM 0 HA GLN A 30 10.359 -1.339 6.615 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.785 -1.777 5.691 1.00 0.00 H new ATOM 0 HB3 GLN A 30 11.952 -2.668 4.433 1.00 0.00 H new ATOM 0 HG2 GLN A 30 10.459 -0.582 4.168 1.00 0.00 H new ATOM 0 HG3 GLN A 30 11.634 0.252 5.165 1.00 0.00 H new ATOM 0 HE21 GLN A 30 10.948 -1.149 2.041 1.00 0.00 H new ATOM 0 HE22 GLN A 30 12.374 -0.513 1.216 1.00 0.00 H new ATOM 194 N GLU A 31 9.796 -4.326 5.387 1.00 0.00 N ATOM 195 CA GLU A 31 8.829 -5.199 4.756 1.00 0.00 C ATOM 196 C GLU A 31 7.550 -5.262 5.593 1.00 0.00 C ATOM 197 O GLU A 31 6.449 -5.317 5.055 1.00 0.00 O ATOM 198 CB GLU A 31 9.454 -6.582 4.575 1.00 0.00 C ATOM 199 CG GLU A 31 8.537 -7.621 3.958 1.00 0.00 C ATOM 200 CD GLU A 31 9.255 -8.929 3.700 1.00 0.00 C ATOM 201 OE1 GLU A 31 9.927 -9.047 2.654 1.00 0.00 O ATOM 202 OE2 GLU A 31 9.160 -9.840 4.545 1.00 0.00 O ATOM 0 H GLU A 31 10.595 -4.814 5.793 1.00 0.00 H new ATOM 0 HA GLU A 31 8.556 -4.810 3.775 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.342 -6.485 3.950 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.787 -6.944 5.548 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.690 -7.797 4.621 1.00 0.00 H new ATOM 0 HG3 GLU A 31 8.134 -7.238 3.021 1.00 0.00 H new ATOM 209 N GLN A 32 7.703 -5.216 6.914 1.00 0.00 N ATOM 210 CA GLN A 32 6.563 -5.196 7.822 1.00 0.00 C ATOM 211 C GLN A 32 5.793 -3.889 7.663 1.00 0.00 C ATOM 212 O GLN A 32 4.567 -3.860 7.765 1.00 0.00 O ATOM 213 CB GLN A 32 7.042 -5.317 9.268 1.00 0.00 C ATOM 214 CG GLN A 32 7.925 -6.521 9.534 1.00 0.00 C ATOM 215 CD GLN A 32 8.261 -6.686 10.999 1.00 0.00 C ATOM 216 OE1 GLN A 32 9.249 -6.140 11.492 1.00 0.00 O ATOM 217 NE2 GLN A 32 7.445 -7.447 11.703 1.00 0.00 N ATOM 0 H GLN A 32 8.610 -5.192 7.380 1.00 0.00 H new ATOM 0 HA GLN A 32 5.913 -6.037 7.581 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.590 -4.413 9.534 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.173 -5.367 9.924 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.423 -7.420 9.177 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.848 -6.423 8.963 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.638 -7.880 11.255 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.621 -7.602 12.696 1.00 0.00 H new ATOM 226 N GLN A 33 6.529 -2.803 7.433 1.00 0.00 N ATOM 227 CA GLN A 33 5.915 -1.508 7.152 1.00 0.00 C ATOM 228 C GLN A 33 5.030 -1.620 5.923 1.00 0.00 C ATOM 229 O GLN A 33 3.918 -1.100 5.893 1.00 0.00 O ATOM 230 CB GLN A 33 6.976 -0.431 6.920 1.00 0.00 C ATOM 231 CG GLN A 33 6.393 0.961 6.746 1.00 0.00 C ATOM 232 CD GLN A 33 7.449 2.021 6.470 1.00 0.00 C ATOM 233 OE1 GLN A 33 7.174 3.027 5.820 1.00 0.00 O ATOM 234 NE2 GLN A 33 8.653 1.818 6.977 1.00 0.00 N ATOM 0 H GLN A 33 7.549 -2.795 7.436 1.00 0.00 H new ATOM 0 HA GLN A 33 5.317 -1.220 8.017 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.667 -0.425 7.763 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.556 -0.688 6.034 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.677 0.948 5.925 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.841 1.232 7.646 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.845 0.971 7.512 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.390 2.509 6.834 1.00 0.00 H new ATOM 243 N PHE A 34 5.536 -2.331 4.925 1.00 0.00 N ATOM 244 CA PHE A 34 4.798 -2.582 3.696 1.00 0.00 C ATOM 245 C PHE A 34 3.483 -3.286 4.007 1.00 0.00 C ATOM 246 O PHE A 34 2.457 -2.990 3.400 1.00 0.00 O ATOM 247 CB PHE A 34 5.655 -3.433 2.750 1.00 0.00 C ATOM 248 CG PHE A 34 4.998 -3.777 1.443 1.00 0.00 C ATOM 249 CD1 PHE A 34 4.949 -2.849 0.415 1.00 0.00 C ATOM 250 CD2 PHE A 34 4.421 -5.022 1.247 1.00 0.00 C ATOM 251 CE1 PHE A 34 4.336 -3.155 -0.783 1.00 0.00 C ATOM 252 CE2 PHE A 34 3.809 -5.333 0.051 1.00 0.00 C ATOM 253 CZ PHE A 34 3.805 -4.426 -0.977 1.00 0.00 C ATOM 0 H PHE A 34 6.466 -2.749 4.944 1.00 0.00 H new ATOM 0 HA PHE A 34 4.570 -1.633 3.211 1.00 0.00 H new ATOM 0 HB2 PHE A 34 6.583 -2.900 2.545 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.925 -4.358 3.260 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.396 -1.875 0.553 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.451 -5.756 2.039 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.269 -2.413 -1.565 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.332 -6.293 -0.076 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.390 -4.698 -1.936 1.00 0.00 H new ATOM 263 N ARG A 35 3.522 -4.197 4.973 1.00 0.00 N ATOM 264 CA ARG A 35 2.330 -4.922 5.397 1.00 0.00 C ATOM 265 C ARG A 35 1.251 -3.963 5.887 1.00 0.00 C ATOM 266 O ARG A 35 0.126 -3.987 5.404 1.00 0.00 O ATOM 267 CB ARG A 35 2.679 -5.898 6.527 1.00 0.00 C ATOM 268 CG ARG A 35 3.090 -7.288 6.069 1.00 0.00 C ATOM 269 CD ARG A 35 4.275 -7.254 5.137 1.00 0.00 C ATOM 270 NE ARG A 35 4.318 -8.426 4.263 1.00 0.00 N ATOM 271 CZ ARG A 35 5.170 -9.437 4.414 1.00 0.00 C ATOM 272 NH1 ARG A 35 6.000 -9.454 5.450 1.00 0.00 N ATOM 273 NH2 ARG A 35 5.172 -10.443 3.545 1.00 0.00 N ATOM 0 H ARG A 35 4.370 -4.452 5.479 1.00 0.00 H new ATOM 0 HA ARG A 35 1.951 -5.472 4.535 1.00 0.00 H new ATOM 0 HB2 ARG A 35 3.490 -5.472 7.118 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.817 -5.989 7.188 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.332 -7.899 6.939 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.249 -7.767 5.567 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.233 -6.350 4.529 1.00 0.00 H new ATOM 0 HD3 ARG A 35 5.194 -7.203 5.721 1.00 0.00 H new ATOM 0 HE ARG A 35 3.654 -8.471 3.490 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.984 -8.693 6.129 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.654 -10.228 5.567 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.520 -10.441 2.761 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.826 -11.217 3.662 1.00 0.00 H new ATOM 287 N GLN A 36 1.623 -3.082 6.804 1.00 0.00 N ATOM 288 CA GLN A 36 0.666 -2.164 7.421 1.00 0.00 C ATOM 289 C GLN A 36 0.184 -1.130 6.422 1.00 0.00 C ATOM 290 O GLN A 36 -1.011 -0.833 6.341 1.00 0.00 O ATOM 291 CB GLN A 36 1.309 -1.455 8.612 1.00 0.00 C ATOM 292 CG GLN A 36 1.862 -2.404 9.659 1.00 0.00 C ATOM 293 CD GLN A 36 2.633 -1.684 10.744 1.00 0.00 C ATOM 294 OE1 GLN A 36 2.344 -0.532 11.070 1.00 0.00 O ATOM 295 NE2 GLN A 36 3.618 -2.358 11.315 1.00 0.00 N ATOM 0 H GLN A 36 2.581 -2.980 7.140 1.00 0.00 H new ATOM 0 HA GLN A 36 -0.189 -2.749 7.761 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.115 -0.816 8.252 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.570 -0.804 9.078 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.041 -2.961 10.110 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.514 -3.132 9.177 1.00 0.00 H new ATOM 0 HE21 GLN A 36 3.825 -3.311 11.015 1.00 0.00 H new ATOM 0 HE22 GLN A 36 4.171 -1.925 12.055 1.00 0.00 H new ATOM 304 N LEU A 37 1.119 -0.600 5.651 1.00 0.00 N ATOM 305 CA LEU A 37 0.817 0.439 4.684 1.00 0.00 C ATOM 306 C LEU A 37 -0.125 -0.076 3.593 1.00 0.00 C ATOM 307 O LEU A 37 -0.827 0.706 2.952 1.00 0.00 O ATOM 308 CB LEU A 37 2.111 0.998 4.087 1.00 0.00 C ATOM 309 CG LEU A 37 3.057 1.659 5.093 1.00 0.00 C ATOM 310 CD1 LEU A 37 4.252 2.269 4.383 1.00 0.00 C ATOM 311 CD2 LEU A 37 2.325 2.706 5.918 1.00 0.00 C ATOM 0 H LEU A 37 2.101 -0.876 5.678 1.00 0.00 H new ATOM 0 HA LEU A 37 0.301 1.249 5.199 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.643 0.187 3.589 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.853 1.728 3.320 1.00 0.00 H new ATOM 0 HG LEU A 37 3.422 0.889 5.773 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.912 2.734 5.115 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.795 1.489 3.849 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.908 3.023 3.674 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.018 3.162 6.625 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.924 3.474 5.257 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.508 2.234 6.463 1.00 0.00 H new ATOM 323 N THR A 38 -0.146 -1.389 3.387 1.00 0.00 N ATOM 324 CA THR A 38 -1.056 -1.977 2.415 1.00 0.00 C ATOM 325 C THR A 38 -2.338 -2.508 3.075 1.00 0.00 C ATOM 326 O THR A 38 -3.261 -2.937 2.378 1.00 0.00 O ATOM 327 CB THR A 38 -0.391 -3.111 1.607 1.00 0.00 C ATOM 328 OG1 THR A 38 0.265 -4.039 2.475 1.00 0.00 O ATOM 329 CG2 THR A 38 0.596 -2.560 0.589 1.00 0.00 C ATOM 0 H THR A 38 0.450 -2.058 3.875 1.00 0.00 H new ATOM 0 HA THR A 38 -1.320 -1.171 1.731 1.00 0.00 H new ATOM 0 HB THR A 38 -1.181 -3.634 1.068 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.098 -3.644 2.806 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.047 -3.384 0.037 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.074 -1.901 -0.105 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.376 -1.999 1.105 1.00 0.00 H new ATOM 337 N GLU A 39 -2.403 -2.477 4.411 1.00 0.00 N ATOM 338 CA GLU A 39 -3.582 -2.979 5.123 1.00 0.00 C ATOM 339 C GLU A 39 -4.588 -1.871 5.424 1.00 0.00 C ATOM 340 O GLU A 39 -5.797 -2.095 5.366 1.00 0.00 O ATOM 341 CB GLU A 39 -3.184 -3.671 6.429 1.00 0.00 C ATOM 342 CG GLU A 39 -2.513 -5.019 6.231 1.00 0.00 C ATOM 343 CD GLU A 39 -2.221 -5.719 7.541 1.00 0.00 C ATOM 344 OE1 GLU A 39 -3.106 -6.436 8.050 1.00 0.00 O ATOM 345 OE2 GLU A 39 -1.104 -5.554 8.076 1.00 0.00 O ATOM 0 H GLU A 39 -1.664 -2.115 5.013 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.058 -3.702 4.460 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.510 -3.018 6.984 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.074 -3.806 7.043 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.154 -5.654 5.619 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.582 -4.881 5.681 1.00 0.00 H new ATOM 352 N GLU A 40 -4.097 -0.679 5.750 1.00 0.00 N ATOM 353 CA GLU A 40 -4.985 0.424 6.126 1.00 0.00 C ATOM 354 C GLU A 40 -5.473 1.212 4.910 1.00 0.00 C ATOM 355 O GLU A 40 -6.096 2.266 5.048 1.00 0.00 O ATOM 356 CB GLU A 40 -4.301 1.369 7.117 1.00 0.00 C ATOM 357 CG GLU A 40 -4.068 0.750 8.487 1.00 0.00 C ATOM 358 CD GLU A 40 -3.661 1.773 9.528 1.00 0.00 C ATOM 359 OE1 GLU A 40 -4.545 2.509 10.018 1.00 0.00 O ATOM 360 OE2 GLU A 40 -2.462 1.843 9.865 1.00 0.00 O ATOM 0 H GLU A 40 -3.103 -0.450 5.763 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.854 -0.026 6.605 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.344 1.685 6.703 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.911 2.265 7.231 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.978 0.247 8.814 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.293 -0.012 8.410 1.00 0.00 H new ATOM 367 N LEU A 41 -5.200 0.701 3.722 1.00 0.00 N ATOM 368 CA LEU A 41 -5.668 1.340 2.504 1.00 0.00 C ATOM 369 C LEU A 41 -6.813 0.548 1.885 1.00 0.00 C ATOM 370 O LEU A 41 -6.717 -0.667 1.704 1.00 0.00 O ATOM 371 CB LEU A 41 -4.524 1.510 1.498 1.00 0.00 C ATOM 372 CG LEU A 41 -4.942 2.038 0.125 1.00 0.00 C ATOM 373 CD1 LEU A 41 -5.788 3.290 0.268 1.00 0.00 C ATOM 374 CD2 LEU A 41 -3.718 2.314 -0.730 1.00 0.00 C ATOM 0 H LEU A 41 -4.659 -0.151 3.575 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.038 2.331 2.766 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.785 2.190 1.922 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.031 0.547 1.365 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.544 1.276 -0.369 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.075 3.650 -0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.684 3.060 0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.213 4.061 0.782 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.032 2.689 -1.704 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.092 3.059 -0.239 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.151 1.393 -0.862 1.00 0.00 H new ATOM 386 N ARG A 42 -7.892 1.250 1.564 1.00 0.00 N ATOM 387 CA ARG A 42 -9.048 0.635 0.942 1.00 0.00 C ATOM 388 C ARG A 42 -8.916 0.605 -0.571 1.00 0.00 C ATOM 389 O ARG A 42 -8.592 1.617 -1.200 1.00 0.00 O ATOM 390 CB ARG A 42 -10.335 1.386 1.288 1.00 0.00 C ATOM 391 CG ARG A 42 -11.162 0.777 2.403 1.00 0.00 C ATOM 392 CD ARG A 42 -12.571 1.329 2.343 1.00 0.00 C ATOM 393 NE ARG A 42 -13.469 0.728 3.323 1.00 0.00 N ATOM 394 CZ ARG A 42 -14.758 0.485 3.087 1.00 0.00 C ATOM 395 NH1 ARG A 42 -15.274 0.733 1.886 1.00 0.00 N ATOM 396 NH2 ARG A 42 -15.525 -0.012 4.049 1.00 0.00 N ATOM 0 H ARG A 42 -7.987 2.252 1.727 1.00 0.00 H new ATOM 0 HA ARG A 42 -9.097 -0.383 1.329 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -10.076 2.407 1.567 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -10.953 1.447 0.392 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -11.180 -0.309 2.306 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.712 1.003 3.370 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.539 2.407 2.503 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.975 1.167 1.344 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.090 0.481 4.237 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.683 1.109 1.145 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -16.261 0.547 1.706 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -15.128 -0.208 4.968 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -16.512 -0.198 3.870 1.00 0.00 H new ATOM 410 N CYS A 43 -9.166 -0.556 -1.142 1.00 0.00 N ATOM 411 CA CYS A 43 -9.342 -0.685 -2.576 1.00 0.00 C ATOM 412 C CYS A 43 -10.711 -1.307 -2.853 1.00 0.00 C ATOM 413 O CYS A 43 -10.863 -2.522 -2.769 1.00 0.00 O ATOM 414 CB CYS A 43 -8.210 -1.517 -3.187 1.00 0.00 C ATOM 415 SG CYS A 43 -7.814 -3.027 -2.270 1.00 0.00 S ATOM 0 H CYS A 43 -9.253 -1.433 -0.629 1.00 0.00 H new ATOM 0 HA CYS A 43 -9.302 0.299 -3.043 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -8.483 -1.787 -4.207 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -7.314 -0.899 -3.250 1.00 0.00 H new ATOM 0 HG CYS A 43 -8.890 -3.742 -2.127 1.00 0.00 H new ATOM 421 N PRO A 44 -11.713 -0.448 -3.162 1.00 0.00 N ATOM 422 CA PRO A 44 -13.136 -0.793 -3.302 1.00 0.00 C ATOM 423 C PRO A 44 -13.420 -2.253 -3.662 1.00 0.00 C ATOM 424 O PRO A 44 -13.538 -2.606 -4.841 1.00 0.00 O ATOM 425 CB PRO A 44 -13.568 0.135 -4.435 1.00 0.00 C ATOM 426 CG PRO A 44 -12.697 1.350 -4.305 1.00 0.00 C ATOM 427 CD PRO A 44 -11.524 0.985 -3.422 1.00 0.00 C ATOM 0 HA PRO A 44 -13.669 -0.674 -2.359 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.436 -0.342 -5.406 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -14.623 0.396 -4.349 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -12.350 1.678 -5.285 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.258 2.178 -3.872 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -10.574 1.179 -3.919 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.524 1.563 -2.498 1.00 0.00 H new ATOM 435 N LYS A 45 -13.543 -3.086 -2.630 1.00 0.00 N ATOM 436 CA LYS A 45 -13.812 -4.505 -2.794 1.00 0.00 C ATOM 437 C LYS A 45 -13.983 -5.150 -1.419 1.00 0.00 C ATOM 438 O LYS A 45 -13.155 -4.960 -0.531 1.00 0.00 O ATOM 439 CB LYS A 45 -12.666 -5.182 -3.555 1.00 0.00 C ATOM 440 CG LYS A 45 -12.991 -6.584 -4.042 1.00 0.00 C ATOM 441 CD LYS A 45 -14.211 -6.593 -4.949 1.00 0.00 C ATOM 442 CE LYS A 45 -14.450 -7.967 -5.548 1.00 0.00 C ATOM 443 NZ LYS A 45 -13.453 -8.301 -6.602 1.00 0.00 N ATOM 0 H LYS A 45 -13.458 -2.791 -1.657 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.729 -4.631 -3.370 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -12.397 -4.564 -4.412 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -11.790 -5.227 -2.908 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.134 -6.991 -4.580 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.169 -7.235 -3.186 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.089 -6.285 -4.382 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.076 -5.865 -5.749 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.408 -8.718 -4.759 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.453 -8.007 -5.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -13.723 -9.193 -7.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -13.426 -7.538 -7.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -12.513 -8.406 -6.170 1.00 0.00 H new ATOM 457 N CYS A 46 -15.075 -5.885 -1.247 1.00 0.00 N ATOM 458 CA CYS A 46 -15.371 -6.555 0.017 1.00 0.00 C ATOM 459 C CYS A 46 -14.379 -7.673 0.289 1.00 0.00 C ATOM 460 O CYS A 46 -14.055 -7.972 1.438 1.00 0.00 O ATOM 461 CB CYS A 46 -16.781 -7.139 -0.017 1.00 0.00 C ATOM 462 SG CYS A 46 -18.075 -5.933 -0.381 1.00 0.00 S ATOM 0 H CYS A 46 -15.776 -6.034 -1.972 1.00 0.00 H new ATOM 0 HA CYS A 46 -15.295 -5.814 0.813 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -16.816 -7.930 -0.766 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -16.993 -7.603 0.946 1.00 0.00 H new ATOM 0 HG CYS A 46 -19.232 -6.527 -0.389 1.00 0.00 H new ATOM 468 N GLN A 47 -13.910 -8.292 -0.778 1.00 0.00 N ATOM 469 CA GLN A 47 -13.011 -9.424 -0.666 1.00 0.00 C ATOM 470 C GLN A 47 -11.566 -8.950 -0.577 1.00 0.00 C ATOM 471 O GLN A 47 -10.889 -9.171 0.426 1.00 0.00 O ATOM 472 CB GLN A 47 -13.215 -10.356 -1.857 1.00 0.00 C ATOM 473 CG GLN A 47 -14.655 -10.834 -1.999 1.00 0.00 C ATOM 474 CD GLN A 47 -15.100 -11.746 -0.870 1.00 0.00 C ATOM 475 OE1 GLN A 47 -14.598 -11.669 0.250 1.00 0.00 O ATOM 476 NE2 GLN A 47 -16.065 -12.605 -1.153 1.00 0.00 N ATOM 0 H GLN A 47 -14.138 -8.028 -1.736 1.00 0.00 H new ATOM 0 HA GLN A 47 -13.234 -9.974 0.248 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -12.917 -9.840 -2.770 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -12.560 -11.221 -1.751 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -15.316 -9.968 -2.039 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -14.764 -11.361 -2.947 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -16.457 -12.640 -2.094 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -16.417 -13.233 -0.430 1.00 0.00 H new ATOM 485 N ASN A 48 -11.102 -8.282 -1.621 1.00 0.00 N ATOM 486 CA ASN A 48 -9.764 -7.706 -1.622 1.00 0.00 C ATOM 487 C ASN A 48 -9.832 -6.274 -1.119 1.00 0.00 C ATOM 488 O ASN A 48 -9.622 -5.326 -1.870 1.00 0.00 O ATOM 489 CB ASN A 48 -9.160 -7.753 -3.026 1.00 0.00 C ATOM 490 CG ASN A 48 -9.024 -9.169 -3.561 1.00 0.00 C ATOM 491 OD1 ASN A 48 -8.777 -10.127 -2.677 1.00 0.00 O flip ATOM 492 ND2 ASN A 48 -9.134 -9.401 -4.763 1.00 0.00 N flip ATOM 0 H ASN A 48 -11.631 -8.125 -2.479 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.123 -8.289 -0.960 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.784 -7.171 -3.705 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.178 -7.279 -3.010 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -9.324 -8.639 -5.414 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.035 -10.355 -5.109 1.00 0.00 H new ATOM 499 N ASN A 49 -10.156 -6.132 0.159 1.00 0.00 N ATOM 500 CA ASN A 49 -10.382 -4.817 0.759 1.00 0.00 C ATOM 501 C ASN A 49 -9.083 -4.050 1.009 1.00 0.00 C ATOM 502 O ASN A 49 -9.104 -2.835 1.205 1.00 0.00 O ATOM 503 CB ASN A 49 -11.185 -4.948 2.064 1.00 0.00 C ATOM 504 CG ASN A 49 -10.423 -5.581 3.229 1.00 0.00 C ATOM 505 OD1 ASN A 49 -9.519 -6.509 2.952 1.00 0.00 O flip ATOM 506 ND2 ASN A 49 -10.674 -5.249 4.387 1.00 0.00 N flip ATOM 0 H ASN A 49 -10.269 -6.913 0.806 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.959 -4.239 0.038 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -11.523 -3.957 2.366 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -12.077 -5.543 1.866 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.375 -4.531 4.571 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.181 -5.691 5.163 1.00 0.00 H new ATOM 513 N SER A 50 -7.963 -4.754 0.980 1.00 0.00 N ATOM 514 CA SER A 50 -6.669 -4.137 1.212 1.00 0.00 C ATOM 515 C SER A 50 -5.705 -4.531 0.100 1.00 0.00 C ATOM 516 O SER A 50 -5.703 -5.678 -0.352 1.00 0.00 O ATOM 517 CB SER A 50 -6.117 -4.565 2.574 1.00 0.00 C ATOM 518 OG SER A 50 -7.015 -4.227 3.620 1.00 0.00 O ATOM 0 H SER A 50 -7.925 -5.757 0.797 1.00 0.00 H new ATOM 0 HA SER A 50 -6.784 -3.053 1.212 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.940 -5.641 2.576 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.155 -4.083 2.747 1.00 0.00 H new ATOM 0 HG SER A 50 -6.613 -3.535 4.185 1.00 0.00 H new ATOM 524 N ILE A 51 -4.883 -3.577 -0.334 1.00 0.00 N ATOM 525 CA ILE A 51 -3.986 -3.790 -1.469 1.00 0.00 C ATOM 526 C ILE A 51 -2.889 -4.806 -1.156 1.00 0.00 C ATOM 527 O ILE A 51 -2.195 -5.260 -2.066 1.00 0.00 O ATOM 528 CB ILE A 51 -3.331 -2.477 -1.952 1.00 0.00 C ATOM 529 CG1 ILE A 51 -2.555 -1.802 -0.815 1.00 0.00 C ATOM 530 CG2 ILE A 51 -4.383 -1.536 -2.527 1.00 0.00 C ATOM 531 CD1 ILE A 51 -1.784 -0.575 -1.252 1.00 0.00 C ATOM 0 H ILE A 51 -4.819 -2.648 0.083 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.616 -4.184 -2.266 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.621 -2.720 -2.743 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.253 -1.520 -0.027 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.860 -2.522 -0.383 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -3.904 -0.616 -2.862 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -4.878 -2.016 -3.371 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.120 -1.302 -1.759 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.260 -0.151 -0.396 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.061 -0.854 -2.018 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.475 0.164 -1.657 1.00 0.00 H new ATOM 543 N ALA A 52 -2.733 -5.143 0.127 1.00 0.00 N ATOM 544 CA ALA A 52 -1.783 -6.171 0.551 1.00 0.00 C ATOM 545 C ALA A 52 -1.988 -7.449 -0.253 1.00 0.00 C ATOM 546 O ALA A 52 -1.069 -7.945 -0.907 1.00 0.00 O ATOM 547 CB ALA A 52 -1.945 -6.453 2.042 1.00 0.00 C ATOM 0 H ALA A 52 -3.255 -4.716 0.892 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.772 -5.807 0.370 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.233 -7.220 2.347 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.759 -5.540 2.607 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.959 -6.801 2.238 1.00 0.00 H new ATOM 553 N ASP A 53 -3.206 -7.963 -0.209 1.00 0.00 N ATOM 554 CA ASP A 53 -3.585 -9.119 -1.001 1.00 0.00 C ATOM 555 C ASP A 53 -4.794 -8.769 -1.851 1.00 0.00 C ATOM 556 O ASP A 53 -5.927 -9.139 -1.541 1.00 0.00 O ATOM 557 CB ASP A 53 -3.880 -10.329 -0.110 1.00 0.00 C ATOM 558 CG ASP A 53 -2.618 -11.016 0.373 1.00 0.00 C ATOM 559 OD1 ASP A 53 -2.105 -11.904 -0.335 1.00 0.00 O ATOM 560 OD2 ASP A 53 -2.124 -10.664 1.466 1.00 0.00 O ATOM 0 H ASP A 53 -3.956 -7.592 0.374 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.753 -9.390 -1.651 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.467 -10.008 0.750 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.490 -11.043 -0.663 1.00 0.00 H new ATOM 565 N SER A 54 -4.534 -8.031 -2.916 1.00 0.00 N ATOM 566 CA SER A 54 -5.583 -7.513 -3.775 1.00 0.00 C ATOM 567 C SER A 54 -5.522 -8.151 -5.157 1.00 0.00 C ATOM 568 O SER A 54 -6.522 -8.203 -5.871 1.00 0.00 O ATOM 569 CB SER A 54 -5.432 -6.003 -3.883 1.00 0.00 C ATOM 570 OG SER A 54 -4.085 -5.666 -4.178 1.00 0.00 O ATOM 0 H SER A 54 -3.591 -7.775 -3.209 1.00 0.00 H new ATOM 0 HA SER A 54 -6.552 -7.757 -3.341 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.090 -5.619 -4.663 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.736 -5.532 -2.948 1.00 0.00 H new ATOM 0 HG SER A 54 -3.548 -5.720 -3.360 1.00 0.00 H new ATOM 576 N ASN A 55 -4.323 -8.615 -5.528 1.00 0.00 N ATOM 577 CA ASN A 55 -4.104 -9.354 -6.778 1.00 0.00 C ATOM 578 C ASN A 55 -4.226 -8.456 -8.008 1.00 0.00 C ATOM 579 O ASN A 55 -4.113 -8.932 -9.136 1.00 0.00 O ATOM 580 CB ASN A 55 -5.093 -10.522 -6.913 1.00 0.00 C ATOM 581 CG ASN A 55 -4.853 -11.657 -5.927 1.00 0.00 C ATOM 582 OD1 ASN A 55 -4.357 -11.339 -4.743 1.00 0.00 O flip ATOM 583 ND2 ASN A 55 -5.125 -12.818 -6.230 1.00 0.00 N flip ATOM 0 H ASN A 55 -3.478 -8.489 -4.971 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.086 -9.740 -6.729 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -6.106 -10.144 -6.776 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.035 -10.918 -7.927 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.506 -13.028 -7.152 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.969 -13.570 -5.559 1.00 0.00 H new ATOM 590 N SER A 56 -4.446 -7.165 -7.798 1.00 0.00 N ATOM 591 CA SER A 56 -4.652 -6.240 -8.905 1.00 0.00 C ATOM 592 C SER A 56 -3.328 -5.691 -9.423 1.00 0.00 C ATOM 593 O SER A 56 -2.407 -5.404 -8.651 1.00 0.00 O ATOM 594 CB SER A 56 -5.565 -5.089 -8.477 1.00 0.00 C ATOM 595 OG SER A 56 -5.647 -4.094 -9.486 1.00 0.00 O ATOM 0 H SER A 56 -4.486 -6.735 -6.874 1.00 0.00 H new ATOM 0 HA SER A 56 -5.130 -6.792 -9.714 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.562 -5.474 -8.261 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.187 -4.646 -7.556 1.00 0.00 H new ATOM 0 HG SER A 56 -6.238 -3.372 -9.186 1.00 0.00 H new ATOM 601 N MET A 57 -3.256 -5.553 -10.748 1.00 0.00 N ATOM 602 CA MET A 57 -2.094 -4.980 -11.427 1.00 0.00 C ATOM 603 C MET A 57 -1.831 -3.578 -10.913 1.00 0.00 C ATOM 604 O MET A 57 -0.694 -3.198 -10.627 1.00 0.00 O ATOM 605 CB MET A 57 -2.337 -4.889 -12.938 1.00 0.00 C ATOM 606 CG MET A 57 -3.200 -5.994 -13.503 1.00 0.00 C ATOM 607 SD MET A 57 -4.697 -5.369 -14.293 1.00 0.00 S ATOM 608 CE MET A 57 -5.575 -4.710 -12.878 1.00 0.00 C ATOM 0 H MET A 57 -4.004 -5.836 -11.381 1.00 0.00 H new ATOM 0 HA MET A 57 -1.241 -5.628 -11.227 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.805 -3.930 -13.161 1.00 0.00 H new ATOM 0 HB3 MET A 57 -1.374 -4.900 -13.449 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.622 -6.566 -14.229 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.475 -6.680 -12.702 1.00 0.00 H new ATOM 0 HE1 MET A 57 -6.273 -3.941 -13.209 1.00 0.00 H new ATOM 0 HE2 MET A 57 -6.125 -5.512 -12.385 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.862 -4.276 -12.177 1.00 0.00 H new ATOM 618 N ILE A 58 -2.903 -2.817 -10.801 1.00 0.00 N ATOM 619 CA ILE A 58 -2.819 -1.419 -10.431 1.00 0.00 C ATOM 620 C ILE A 58 -2.648 -1.295 -8.916 1.00 0.00 C ATOM 621 O ILE A 58 -1.990 -0.380 -8.431 1.00 0.00 O ATOM 622 CB ILE A 58 -4.062 -0.635 -10.955 1.00 0.00 C ATOM 623 CG1 ILE A 58 -5.004 -0.196 -9.835 1.00 0.00 C ATOM 624 CG2 ILE A 58 -4.825 -1.480 -11.963 1.00 0.00 C ATOM 625 CD1 ILE A 58 -4.612 1.117 -9.199 1.00 0.00 C ATOM 0 H ILE A 58 -3.853 -3.150 -10.964 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.944 -0.970 -10.901 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.685 0.270 -11.431 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.015 -0.110 -10.234 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.029 -0.970 -9.067 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.691 -0.924 -12.323 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.174 -1.721 -12.803 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.158 -2.402 -11.487 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.324 1.367 -8.413 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.614 1.030 -8.770 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.615 1.903 -9.955 1.00 0.00 H new ATOM 637 N ALA A 59 -3.219 -2.245 -8.178 1.00 0.00 N ATOM 638 CA ALA A 59 -3.049 -2.299 -6.727 1.00 0.00 C ATOM 639 C ALA A 59 -1.577 -2.492 -6.372 1.00 0.00 C ATOM 640 O ALA A 59 -1.098 -1.999 -5.354 1.00 0.00 O ATOM 641 CB ALA A 59 -3.887 -3.424 -6.152 1.00 0.00 C ATOM 0 H ALA A 59 -3.804 -2.988 -8.561 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.384 -1.356 -6.295 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.756 -3.459 -5.070 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.938 -3.251 -6.385 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.571 -4.372 -6.587 1.00 0.00 H new ATOM 647 N THR A 60 -0.866 -3.218 -7.223 1.00 0.00 N ATOM 648 CA THR A 60 0.571 -3.378 -7.076 1.00 0.00 C ATOM 649 C THR A 60 1.292 -2.063 -7.365 1.00 0.00 C ATOM 650 O THR A 60 2.259 -1.717 -6.688 1.00 0.00 O ATOM 651 CB THR A 60 1.094 -4.488 -8.005 1.00 0.00 C ATOM 652 OG1 THR A 60 0.495 -5.738 -7.641 1.00 0.00 O ATOM 653 CG2 THR A 60 2.603 -4.596 -7.918 1.00 0.00 C ATOM 0 H THR A 60 -1.264 -3.707 -8.025 1.00 0.00 H new ATOM 0 HA THR A 60 0.775 -3.666 -6.045 1.00 0.00 H new ATOM 0 HB THR A 60 0.827 -4.239 -9.032 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.449 -5.737 -7.903 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.950 -5.387 -8.583 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.053 -3.649 -8.215 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.893 -4.830 -6.894 1.00 0.00 H new ATOM 661 N ASP A 61 0.803 -1.327 -8.357 1.00 0.00 N ATOM 662 CA ASP A 61 1.332 0.005 -8.667 1.00 0.00 C ATOM 663 C ASP A 61 1.214 0.901 -7.442 1.00 0.00 C ATOM 664 O ASP A 61 2.121 1.666 -7.115 1.00 0.00 O ATOM 665 CB ASP A 61 0.559 0.638 -9.826 1.00 0.00 C ATOM 666 CG ASP A 61 1.340 1.748 -10.501 1.00 0.00 C ATOM 667 OD1 ASP A 61 2.213 1.448 -11.345 1.00 0.00 O ATOM 668 OD2 ASP A 61 1.087 2.928 -10.183 1.00 0.00 O ATOM 0 H ASP A 61 0.040 -1.627 -8.964 1.00 0.00 H new ATOM 0 HA ASP A 61 2.378 -0.099 -8.954 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.316 -0.130 -10.560 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.386 1.035 -9.455 1.00 0.00 H new ATOM 673 N LEU A 62 0.083 0.778 -6.766 1.00 0.00 N ATOM 674 CA LEU A 62 -0.166 1.493 -5.523 1.00 0.00 C ATOM 675 C LEU A 62 0.856 1.085 -4.467 1.00 0.00 C ATOM 676 O LEU A 62 1.361 1.916 -3.715 1.00 0.00 O ATOM 677 CB LEU A 62 -1.578 1.182 -5.026 1.00 0.00 C ATOM 678 CG LEU A 62 -2.688 1.409 -6.052 1.00 0.00 C ATOM 679 CD1 LEU A 62 -4.022 0.927 -5.507 1.00 0.00 C ATOM 680 CD2 LEU A 62 -2.758 2.877 -6.445 1.00 0.00 C ATOM 0 H LEU A 62 -0.688 0.180 -7.063 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.074 2.564 -5.705 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.612 0.142 -4.700 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.782 1.797 -4.150 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.459 0.830 -6.947 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.801 1.096 -6.250 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.960 -0.138 -5.282 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.263 1.476 -4.597 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.554 3.020 -7.176 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.964 3.481 -5.561 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.806 3.183 -6.880 1.00 0.00 H new ATOM 692 N ARG A 63 1.163 -0.201 -4.428 1.00 0.00 N ATOM 693 CA ARG A 63 2.136 -0.728 -3.486 1.00 0.00 C ATOM 694 C ARG A 63 3.542 -0.240 -3.822 1.00 0.00 C ATOM 695 O ARG A 63 4.391 -0.114 -2.941 1.00 0.00 O ATOM 696 CB ARG A 63 2.071 -2.253 -3.458 1.00 0.00 C ATOM 697 CG ARG A 63 0.780 -2.772 -2.851 1.00 0.00 C ATOM 698 CD ARG A 63 0.824 -4.272 -2.619 1.00 0.00 C ATOM 699 NE ARG A 63 0.730 -5.036 -3.865 1.00 0.00 N ATOM 700 CZ ARG A 63 0.971 -6.347 -3.956 1.00 0.00 C ATOM 701 NH1 ARG A 63 1.276 -7.047 -2.867 1.00 0.00 N ATOM 702 NH2 ARG A 63 0.891 -6.957 -5.133 1.00 0.00 N ATOM 0 H ARG A 63 0.750 -0.903 -5.042 1.00 0.00 H new ATOM 0 HA ARG A 63 1.891 -0.357 -2.491 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.170 -2.636 -4.474 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.917 -2.638 -2.888 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.594 -2.264 -1.905 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.053 -2.531 -3.511 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.751 -4.530 -2.108 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.005 -4.558 -1.959 1.00 0.00 H new ATOM 0 HE ARG A 63 0.465 -4.537 -4.714 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.326 -6.583 -1.960 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.460 -8.048 -2.939 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.646 -6.425 -5.968 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.075 -7.958 -5.202 1.00 0.00 H new ATOM 716 N GLN A 64 3.782 0.034 -5.100 1.00 0.00 N ATOM 717 CA GLN A 64 5.022 0.671 -5.522 1.00 0.00 C ATOM 718 C GLN A 64 5.128 2.054 -4.901 1.00 0.00 C ATOM 719 O GLN A 64 6.195 2.458 -4.445 1.00 0.00 O ATOM 720 CB GLN A 64 5.085 0.791 -7.040 1.00 0.00 C ATOM 721 CG GLN A 64 5.019 -0.538 -7.772 1.00 0.00 C ATOM 722 CD GLN A 64 5.018 -0.363 -9.279 1.00 0.00 C ATOM 723 OE1 GLN A 64 5.627 0.714 -9.750 1.00 0.00 O flip ATOM 724 NE2 GLN A 64 4.464 -1.184 -10.013 1.00 0.00 N flip ATOM 0 H GLN A 64 3.134 -0.175 -5.860 1.00 0.00 H new ATOM 0 HA GLN A 64 5.854 0.051 -5.187 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.262 1.421 -7.378 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.009 1.299 -7.315 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.869 -1.154 -7.480 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.119 -1.073 -7.470 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.006 -2.001 -9.610 1.00 0.00 H new ATOM 0 HE22 GLN A 64 4.464 -1.046 -11.024 1.00 0.00 H new ATOM 733 N LYS A 65 4.009 2.774 -4.880 1.00 0.00 N ATOM 734 CA LYS A 65 3.961 4.074 -4.230 1.00 0.00 C ATOM 735 C LYS A 65 4.316 3.929 -2.760 1.00 0.00 C ATOM 736 O LYS A 65 5.152 4.665 -2.246 1.00 0.00 O ATOM 737 CB LYS A 65 2.586 4.720 -4.376 1.00 0.00 C ATOM 738 CG LYS A 65 2.474 6.077 -3.693 1.00 0.00 C ATOM 739 CD LYS A 65 3.123 7.180 -4.517 1.00 0.00 C ATOM 740 CE LYS A 65 4.583 7.321 -4.146 1.00 0.00 C ATOM 741 NZ LYS A 65 5.363 8.134 -5.112 1.00 0.00 N ATOM 0 H LYS A 65 3.130 2.478 -5.304 1.00 0.00 H new ATOM 0 HA LYS A 65 4.688 4.723 -4.717 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.359 4.836 -5.436 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.833 4.050 -3.960 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.423 6.316 -3.529 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.947 6.030 -2.712 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.031 6.952 -5.579 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.605 8.124 -4.347 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.656 7.776 -3.158 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.029 6.329 -4.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.109 8.653 -4.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.796 7.509 -5.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.731 8.811 -5.586 1.00 0.00 H new ATOM 755 N VAL A 66 3.677 2.966 -2.099 1.00 0.00 N ATOM 756 CA VAL A 66 3.976 2.652 -0.706 1.00 0.00 C ATOM 757 C VAL A 66 5.480 2.423 -0.510 1.00 0.00 C ATOM 758 O VAL A 66 6.064 2.897 0.464 1.00 0.00 O ATOM 759 CB VAL A 66 3.178 1.413 -0.228 1.00 0.00 C ATOM 760 CG1 VAL A 66 3.672 0.947 1.127 1.00 0.00 C ATOM 761 CG2 VAL A 66 1.697 1.739 -0.163 1.00 0.00 C ATOM 0 H VAL A 66 2.945 2.387 -2.510 1.00 0.00 H new ATOM 0 HA VAL A 66 3.672 3.507 -0.102 1.00 0.00 H new ATOM 0 HB VAL A 66 3.332 0.606 -0.945 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.098 0.076 1.444 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.727 0.681 1.058 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.547 1.748 1.855 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.146 0.861 0.174 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.535 2.560 0.536 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.345 2.031 -1.152 1.00 0.00 H new ATOM 771 N TYR A 67 6.102 1.724 -1.458 1.00 0.00 N ATOM 772 CA TYR A 67 7.546 1.514 -1.439 1.00 0.00 C ATOM 773 C TYR A 67 8.297 2.845 -1.520 1.00 0.00 C ATOM 774 O TYR A 67 9.167 3.126 -0.692 1.00 0.00 O ATOM 775 CB TYR A 67 7.969 0.592 -2.591 1.00 0.00 C ATOM 776 CG TYR A 67 9.462 0.584 -2.861 1.00 0.00 C ATOM 777 CD1 TYR A 67 10.357 0.054 -1.941 1.00 0.00 C ATOM 778 CD2 TYR A 67 9.973 1.121 -4.036 1.00 0.00 C ATOM 779 CE1 TYR A 67 11.718 0.062 -2.184 1.00 0.00 C ATOM 780 CE2 TYR A 67 11.331 1.128 -4.285 1.00 0.00 C ATOM 781 CZ TYR A 67 12.199 0.599 -3.356 1.00 0.00 C ATOM 782 OH TYR A 67 13.553 0.612 -3.599 1.00 0.00 O ATOM 0 H TYR A 67 5.626 1.293 -2.250 1.00 0.00 H new ATOM 0 HA TYR A 67 7.804 1.036 -0.494 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.646 -0.424 -2.366 1.00 0.00 H new ATOM 0 HB3 TYR A 67 7.448 0.899 -3.498 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.984 -0.371 -1.021 1.00 0.00 H new ATOM 0 HD2 TYR A 67 9.297 1.540 -4.767 1.00 0.00 H new ATOM 0 HE1 TYR A 67 12.401 -0.352 -1.457 1.00 0.00 H new ATOM 0 HE2 TYR A 67 11.711 1.547 -5.205 1.00 0.00 H new ATOM 0 HH TYR A 67 13.725 1.025 -4.471 1.00 0.00 H new ATOM 792 N GLU A 68 7.959 3.658 -2.518 1.00 0.00 N ATOM 793 CA GLU A 68 8.591 4.964 -2.695 1.00 0.00 C ATOM 794 C GLU A 68 8.429 5.820 -1.441 1.00 0.00 C ATOM 795 O GLU A 68 9.397 6.369 -0.926 1.00 0.00 O ATOM 796 CB GLU A 68 7.984 5.704 -3.892 1.00 0.00 C ATOM 797 CG GLU A 68 7.994 4.913 -5.189 1.00 0.00 C ATOM 798 CD GLU A 68 7.513 5.732 -6.371 1.00 0.00 C ATOM 799 OE1 GLU A 68 6.284 5.900 -6.527 1.00 0.00 O ATOM 800 OE2 GLU A 68 8.360 6.223 -7.146 1.00 0.00 O ATOM 0 H GLU A 68 7.250 3.436 -3.217 1.00 0.00 H new ATOM 0 HA GLU A 68 9.652 4.794 -2.878 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.955 5.974 -3.653 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.531 6.635 -4.044 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.005 4.556 -5.386 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.361 4.033 -5.079 1.00 0.00 H new ATOM 807 N LEU A 69 7.201 5.891 -0.949 1.00 0.00 N ATOM 808 CA LEU A 69 6.839 6.728 0.196 1.00 0.00 C ATOM 809 C LEU A 69 7.682 6.422 1.430 1.00 0.00 C ATOM 810 O LEU A 69 7.950 7.310 2.243 1.00 0.00 O ATOM 811 CB LEU A 69 5.360 6.524 0.492 1.00 0.00 C ATOM 812 CG LEU A 69 4.436 7.028 -0.613 1.00 0.00 C ATOM 813 CD1 LEU A 69 3.047 6.424 -0.491 1.00 0.00 C ATOM 814 CD2 LEU A 69 4.375 8.543 -0.585 1.00 0.00 C ATOM 0 H LEU A 69 6.416 5.365 -1.334 1.00 0.00 H new ATOM 0 HA LEU A 69 7.036 7.769 -0.058 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.174 5.462 0.652 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.111 7.035 1.422 1.00 0.00 H new ATOM 0 HG LEU A 69 4.843 6.711 -1.573 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.414 6.803 -1.293 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.114 5.339 -0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.615 6.696 0.472 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.714 8.895 -1.377 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.993 8.874 0.381 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.374 8.950 -0.739 1.00 0.00 H new ATOM 826 N MET A 70 8.107 5.174 1.566 1.00 0.00 N ATOM 827 CA MET A 70 8.980 4.786 2.669 1.00 0.00 C ATOM 828 C MET A 70 10.271 5.594 2.634 1.00 0.00 C ATOM 829 O MET A 70 10.686 6.173 3.637 1.00 0.00 O ATOM 830 CB MET A 70 9.321 3.297 2.604 1.00 0.00 C ATOM 831 CG MET A 70 8.125 2.377 2.744 1.00 0.00 C ATOM 832 SD MET A 70 8.571 0.640 2.583 1.00 0.00 S ATOM 833 CE MET A 70 6.946 -0.099 2.650 1.00 0.00 C ATOM 0 H MET A 70 7.864 4.414 0.930 1.00 0.00 H new ATOM 0 HA MET A 70 8.446 4.987 3.598 1.00 0.00 H new ATOM 0 HB2 MET A 70 9.814 3.090 1.654 1.00 0.00 H new ATOM 0 HB3 MET A 70 10.037 3.065 3.392 1.00 0.00 H new ATOM 0 HG2 MET A 70 7.656 2.540 3.714 1.00 0.00 H new ATOM 0 HG3 MET A 70 7.384 2.631 1.986 1.00 0.00 H new ATOM 0 HE1 MET A 70 6.837 -0.654 3.582 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.188 0.683 2.602 1.00 0.00 H new ATOM 0 HE3 MET A 70 6.820 -0.778 1.807 1.00 0.00 H new ATOM 843 N GLN A 71 10.890 5.649 1.464 1.00 0.00 N ATOM 844 CA GLN A 71 12.153 6.348 1.307 1.00 0.00 C ATOM 845 C GLN A 71 11.927 7.823 0.982 1.00 0.00 C ATOM 846 O GLN A 71 12.869 8.616 0.978 1.00 0.00 O ATOM 847 CB GLN A 71 13.006 5.675 0.231 1.00 0.00 C ATOM 848 CG GLN A 71 12.234 5.313 -1.026 1.00 0.00 C ATOM 849 CD GLN A 71 13.118 4.730 -2.110 1.00 0.00 C ATOM 850 OE1 GLN A 71 14.367 5.167 -2.161 1.00 0.00 O flip ATOM 851 NE2 GLN A 71 12.677 3.905 -2.906 1.00 0.00 N flip ATOM 0 H GLN A 71 10.537 5.217 0.610 1.00 0.00 H new ATOM 0 HA GLN A 71 12.691 6.296 2.253 1.00 0.00 H new ATOM 0 HB2 GLN A 71 13.827 6.340 -0.037 1.00 0.00 H new ATOM 0 HB3 GLN A 71 13.451 4.771 0.646 1.00 0.00 H new ATOM 0 HG2 GLN A 71 11.454 4.594 -0.774 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.735 6.203 -1.410 1.00 0.00 H new ATOM 0 HE21 GLN A 71 11.708 3.593 -2.833 1.00 0.00 H new ATOM 0 HE22 GLN A 71 13.279 3.532 -3.640 1.00 0.00 H new ATOM 860 N GLU A 72 10.680 8.186 0.699 1.00 0.00 N ATOM 861 CA GLU A 72 10.318 9.590 0.543 1.00 0.00 C ATOM 862 C GLU A 72 10.306 10.265 1.908 1.00 0.00 C ATOM 863 O GLU A 72 10.500 11.475 2.023 1.00 0.00 O ATOM 864 CB GLU A 72 8.948 9.745 -0.124 1.00 0.00 C ATOM 865 CG GLU A 72 8.891 9.218 -1.549 1.00 0.00 C ATOM 866 CD GLU A 72 7.578 9.514 -2.253 1.00 0.00 C ATOM 867 OE1 GLU A 72 6.849 10.422 -1.807 1.00 0.00 O ATOM 868 OE2 GLU A 72 7.277 8.843 -3.268 1.00 0.00 O ATOM 0 H GLU A 72 9.908 7.532 0.574 1.00 0.00 H new ATOM 0 HA GLU A 72 11.059 10.064 -0.100 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.202 9.223 0.476 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.674 10.800 -0.126 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.708 9.655 -2.123 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.052 8.140 -1.536 1.00 0.00 H new ATOM 875 N GLY A 73 10.063 9.467 2.940 1.00 0.00 N ATOM 876 CA GLY A 73 10.117 9.974 4.294 1.00 0.00 C ATOM 877 C GLY A 73 8.741 10.241 4.844 1.00 0.00 C ATOM 878 O GLY A 73 8.559 11.096 5.708 1.00 0.00 O ATOM 0 H GLY A 73 9.829 8.477 2.862 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.631 9.255 4.932 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.702 10.893 4.315 1.00 0.00 H new ATOM 882 N LYS A 74 7.766 9.504 4.337 1.00 0.00 N ATOM 883 CA LYS A 74 6.390 9.673 4.760 1.00 0.00 C ATOM 884 C LYS A 74 6.146 8.923 6.061 1.00 0.00 C ATOM 885 O LYS A 74 6.896 8.013 6.417 1.00 0.00 O ATOM 886 CB LYS A 74 5.446 9.146 3.680 1.00 0.00 C ATOM 887 CG LYS A 74 5.824 9.594 2.281 1.00 0.00 C ATOM 888 CD LYS A 74 5.626 11.083 2.100 1.00 0.00 C ATOM 889 CE LYS A 74 6.397 11.606 0.910 1.00 0.00 C ATOM 890 NZ LYS A 74 6.452 13.089 0.891 1.00 0.00 N ATOM 0 H LYS A 74 7.905 8.782 3.630 1.00 0.00 H new ATOM 0 HA LYS A 74 6.200 10.734 4.919 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.437 8.057 3.715 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.432 9.480 3.899 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.865 9.339 2.086 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.221 9.055 1.550 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.565 11.296 1.969 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.948 11.606 3.001 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.411 11.206 0.931 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.932 11.249 -0.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.990 13.406 0.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.486 13.472 0.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.919 13.430 1.755 1.00 0.00 H new ATOM 904 N SER A 75 5.103 9.320 6.761 1.00 0.00 N ATOM 905 CA SER A 75 4.681 8.641 7.972 1.00 0.00 C ATOM 906 C SER A 75 3.627 7.610 7.604 1.00 0.00 C ATOM 907 O SER A 75 3.108 7.648 6.496 1.00 0.00 O ATOM 908 CB SER A 75 4.135 9.652 8.980 1.00 0.00 C ATOM 909 OG SER A 75 5.114 10.626 9.308 1.00 0.00 O ATOM 0 H SER A 75 4.524 10.121 6.508 1.00 0.00 H new ATOM 0 HA SER A 75 5.529 8.138 8.437 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.254 10.143 8.567 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.817 9.133 9.884 1.00 0.00 H new ATOM 0 HG SER A 75 4.740 11.262 9.953 1.00 0.00 H new ATOM 915 N LYS A 76 3.321 6.695 8.513 1.00 0.00 N ATOM 916 CA LYS A 76 2.405 5.591 8.216 1.00 0.00 C ATOM 917 C LYS A 76 1.098 6.078 7.598 1.00 0.00 C ATOM 918 O LYS A 76 0.757 5.703 6.477 1.00 0.00 O ATOM 919 CB LYS A 76 2.124 4.780 9.476 1.00 0.00 C ATOM 920 CG LYS A 76 3.059 3.591 9.681 1.00 0.00 C ATOM 921 CD LYS A 76 4.526 3.995 9.789 1.00 0.00 C ATOM 922 CE LYS A 76 5.214 3.997 8.434 1.00 0.00 C ATOM 923 NZ LYS A 76 6.673 4.250 8.551 1.00 0.00 N ATOM 0 H LYS A 76 3.691 6.691 9.464 1.00 0.00 H new ATOM 0 HA LYS A 76 2.895 4.953 7.480 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.198 5.438 10.341 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.097 4.417 9.438 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.767 3.059 10.586 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.940 2.895 8.850 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.597 4.987 10.234 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.044 3.308 10.458 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.051 3.038 7.943 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.763 4.760 7.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.077 4.395 7.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.833 5.100 9.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 7.132 3.433 9.002 1.00 0.00 H new ATOM 937 N LYS A 77 0.384 6.920 8.320 1.00 0.00 N ATOM 938 CA LYS A 77 -0.883 7.453 7.829 1.00 0.00 C ATOM 939 C LYS A 77 -0.632 8.407 6.671 1.00 0.00 C ATOM 940 O LYS A 77 -1.450 8.537 5.768 1.00 0.00 O ATOM 941 CB LYS A 77 -1.644 8.149 8.959 1.00 0.00 C ATOM 942 CG LYS A 77 -1.617 7.363 10.258 1.00 0.00 C ATOM 943 CD LYS A 77 -2.095 5.930 10.054 1.00 0.00 C ATOM 944 CE LYS A 77 -1.918 5.091 11.308 1.00 0.00 C ATOM 945 NZ LYS A 77 -2.866 5.479 12.385 1.00 0.00 N ATOM 0 H LYS A 77 0.654 7.252 9.246 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.499 6.629 7.468 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.212 9.136 9.128 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.679 8.302 8.654 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.604 7.356 10.659 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.249 7.857 10.996 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.146 5.935 9.766 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.541 5.476 9.232 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.062 4.039 11.062 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.896 5.196 11.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.707 4.879 13.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -2.712 6.475 12.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -3.842 5.354 12.050 1.00 0.00 H new ATOM 959 N GLU A 78 0.512 9.071 6.708 1.00 0.00 N ATOM 960 CA GLU A 78 0.922 9.960 5.627 1.00 0.00 C ATOM 961 C GLU A 78 1.063 9.196 4.309 1.00 0.00 C ATOM 962 O GLU A 78 0.719 9.717 3.256 1.00 0.00 O ATOM 963 CB GLU A 78 2.237 10.660 5.985 1.00 0.00 C ATOM 964 CG GLU A 78 2.789 11.562 4.890 1.00 0.00 C ATOM 965 CD GLU A 78 1.861 12.713 4.549 1.00 0.00 C ATOM 966 OE1 GLU A 78 1.111 13.163 5.441 1.00 0.00 O ATOM 967 OE2 GLU A 78 1.879 13.174 3.389 1.00 0.00 O ATOM 0 H GLU A 78 1.178 9.012 7.478 1.00 0.00 H new ATOM 0 HA GLU A 78 0.147 10.715 5.496 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.084 11.255 6.886 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.983 9.903 6.226 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.753 11.961 5.206 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.968 10.969 3.993 1.00 0.00 H new ATOM 974 N ILE A 79 1.563 7.964 4.371 1.00 0.00 N ATOM 975 CA ILE A 79 1.696 7.133 3.178 1.00 0.00 C ATOM 976 C ILE A 79 0.330 6.873 2.546 1.00 0.00 C ATOM 977 O ILE A 79 0.126 7.141 1.363 1.00 0.00 O ATOM 978 CB ILE A 79 2.392 5.773 3.472 1.00 0.00 C ATOM 979 CG1 ILE A 79 3.909 5.876 3.308 1.00 0.00 C ATOM 980 CG2 ILE A 79 1.845 4.678 2.567 1.00 0.00 C ATOM 981 CD1 ILE A 79 4.682 5.896 4.607 1.00 0.00 C ATOM 0 H ILE A 79 1.882 7.520 5.232 1.00 0.00 H new ATOM 0 HA ILE A 79 2.326 7.690 2.484 1.00 0.00 H new ATOM 0 HB ILE A 79 2.176 5.514 4.509 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.254 5.034 2.708 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.140 6.783 2.749 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.347 3.737 2.791 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.774 4.568 2.736 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.022 4.945 1.525 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.749 5.971 4.395 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.370 6.754 5.203 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.486 4.978 5.161 1.00 0.00 H new ATOM 993 N VAL A 80 -0.607 6.378 3.345 1.00 0.00 N ATOM 994 CA VAL A 80 -1.935 6.062 2.841 1.00 0.00 C ATOM 995 C VAL A 80 -2.676 7.339 2.446 1.00 0.00 C ATOM 996 O VAL A 80 -3.431 7.361 1.474 1.00 0.00 O ATOM 997 CB VAL A 80 -2.759 5.229 3.860 1.00 0.00 C ATOM 998 CG1 VAL A 80 -2.622 5.778 5.267 1.00 0.00 C ATOM 999 CG2 VAL A 80 -4.218 5.184 3.460 1.00 0.00 C ATOM 0 H VAL A 80 -0.472 6.188 4.338 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.812 5.445 1.951 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.359 4.215 3.852 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.212 5.171 5.954 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.575 5.752 5.567 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.981 6.807 5.293 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.777 4.595 4.188 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.618 6.197 3.429 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.311 4.727 2.475 1.00 0.00 H new ATOM 1009 N ASP A 81 -2.422 8.409 3.180 1.00 0.00 N ATOM 1010 CA ASP A 81 -3.034 9.703 2.892 1.00 0.00 C ATOM 1011 C ASP A 81 -2.460 10.281 1.603 1.00 0.00 C ATOM 1012 O ASP A 81 -3.163 10.927 0.830 1.00 0.00 O ATOM 1013 CB ASP A 81 -2.812 10.668 4.055 1.00 0.00 C ATOM 1014 CG ASP A 81 -3.384 12.046 3.803 1.00 0.00 C ATOM 1015 OD1 ASP A 81 -4.596 12.236 4.021 1.00 0.00 O ATOM 1016 OD2 ASP A 81 -2.636 12.938 3.350 1.00 0.00 O ATOM 0 H ASP A 81 -1.794 8.411 3.984 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.107 9.561 2.763 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.265 10.253 4.955 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.743 10.755 4.248 1.00 0.00 H new ATOM 1021 N TYR A 82 -1.182 10.029 1.379 1.00 0.00 N ATOM 1022 CA TYR A 82 -0.522 10.398 0.135 1.00 0.00 C ATOM 1023 C TYR A 82 -1.166 9.632 -1.008 1.00 0.00 C ATOM 1024 O TYR A 82 -1.441 10.188 -2.077 1.00 0.00 O ATOM 1025 CB TYR A 82 0.970 10.068 0.216 1.00 0.00 C ATOM 1026 CG TYR A 82 1.812 10.725 -0.857 1.00 0.00 C ATOM 1027 CD1 TYR A 82 1.728 10.323 -2.185 1.00 0.00 C ATOM 1028 CD2 TYR A 82 2.670 11.765 -0.544 1.00 0.00 C ATOM 1029 CE1 TYR A 82 2.482 10.939 -3.167 1.00 0.00 C ATOM 1030 CE2 TYR A 82 3.425 12.392 -1.518 1.00 0.00 C ATOM 1031 CZ TYR A 82 3.393 11.888 -2.831 1.00 0.00 C ATOM 1032 OH TYR A 82 4.079 12.598 -3.804 1.00 0.00 O ATOM 0 H TYR A 82 -0.572 9.564 2.052 1.00 0.00 H new ATOM 0 HA TYR A 82 -0.630 11.469 -0.036 1.00 0.00 H new ATOM 0 HB2 TYR A 82 1.345 10.372 1.193 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.095 8.987 0.149 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.063 9.516 -2.454 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.751 12.093 0.482 1.00 0.00 H new ATOM 0 HE1 TYR A 82 2.346 10.665 -4.203 1.00 0.00 H new ATOM 0 HE2 TYR A 82 4.029 13.254 -1.275 1.00 0.00 H new ATOM 0 HH TYR A 82 4.688 13.235 -3.376 1.00 0.00 H new ATOM 1042 N MET A 83 -1.422 8.356 -0.758 1.00 0.00 N ATOM 1043 CA MET A 83 -2.064 7.492 -1.734 1.00 0.00 C ATOM 1044 C MET A 83 -3.458 7.995 -2.073 1.00 0.00 C ATOM 1045 O MET A 83 -3.796 8.136 -3.242 1.00 0.00 O ATOM 1046 CB MET A 83 -2.139 6.052 -1.222 1.00 0.00 C ATOM 1047 CG MET A 83 -0.782 5.386 -1.069 1.00 0.00 C ATOM 1048 SD MET A 83 -0.707 3.787 -1.889 1.00 0.00 S ATOM 1049 CE MET A 83 -1.070 4.275 -3.568 1.00 0.00 C ATOM 0 H MET A 83 -1.192 7.894 0.122 1.00 0.00 H new ATOM 0 HA MET A 83 -1.458 7.510 -2.640 1.00 0.00 H new ATOM 0 HB2 MET A 83 -2.648 6.045 -0.258 1.00 0.00 H new ATOM 0 HB3 MET A 83 -2.747 5.463 -1.908 1.00 0.00 H new ATOM 0 HG2 MET A 83 -0.012 6.039 -1.480 1.00 0.00 H new ATOM 0 HG3 MET A 83 -0.560 5.259 -0.009 1.00 0.00 H new ATOM 0 HE1 MET A 83 -2.079 3.957 -3.829 1.00 0.00 H new ATOM 0 HE2 MET A 83 -0.997 5.359 -3.656 1.00 0.00 H new ATOM 0 HE3 MET A 83 -0.355 3.808 -4.245 1.00 0.00 H new ATOM 1059 N VAL A 84 -4.262 8.280 -1.055 1.00 0.00 N ATOM 1060 CA VAL A 84 -5.637 8.727 -1.275 1.00 0.00 C ATOM 1061 C VAL A 84 -5.682 10.128 -1.873 1.00 0.00 C ATOM 1062 O VAL A 84 -6.607 10.467 -2.612 1.00 0.00 O ATOM 1063 CB VAL A 84 -6.489 8.679 0.017 1.00 0.00 C ATOM 1064 CG1 VAL A 84 -6.616 7.255 0.509 1.00 0.00 C ATOM 1065 CG2 VAL A 84 -5.902 9.546 1.118 1.00 0.00 C ATOM 0 H VAL A 84 -3.990 8.211 -0.074 1.00 0.00 H new ATOM 0 HA VAL A 84 -6.071 8.026 -1.988 1.00 0.00 H new ATOM 0 HB VAL A 84 -7.475 9.072 -0.232 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -7.217 7.236 1.418 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -7.097 6.647 -0.257 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.625 6.854 0.721 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -6.531 9.483 2.006 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.898 9.197 1.359 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.855 10.581 0.780 1.00 0.00 H new ATOM 1075 N ALA A 85 -4.685 10.937 -1.549 1.00 0.00 N ATOM 1076 CA ALA A 85 -4.588 12.285 -2.082 1.00 0.00 C ATOM 1077 C ALA A 85 -4.344 12.261 -3.591 1.00 0.00 C ATOM 1078 O ALA A 85 -5.042 12.931 -4.352 1.00 0.00 O ATOM 1079 CB ALA A 85 -3.477 13.040 -1.373 1.00 0.00 C ATOM 0 H ALA A 85 -3.928 10.680 -0.916 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.534 12.797 -1.906 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.409 14.050 -1.777 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.694 13.089 -0.306 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.530 12.523 -1.527 1.00 0.00 H new ATOM 1085 N ARG A 86 -3.362 11.476 -4.019 1.00 0.00 N ATOM 1086 CA ARG A 86 -2.993 11.414 -5.432 1.00 0.00 C ATOM 1087 C ARG A 86 -3.830 10.380 -6.185 1.00 0.00 C ATOM 1088 O ARG A 86 -4.477 10.702 -7.181 1.00 0.00 O ATOM 1089 CB ARG A 86 -1.505 11.087 -5.595 1.00 0.00 C ATOM 1090 CG ARG A 86 -0.569 12.268 -5.409 1.00 0.00 C ATOM 1091 CD ARG A 86 -0.448 12.660 -3.949 1.00 0.00 C ATOM 1092 NE ARG A 86 0.561 13.698 -3.741 1.00 0.00 N ATOM 1093 CZ ARG A 86 0.684 14.411 -2.624 1.00 0.00 C ATOM 1094 NH1 ARG A 86 -0.195 14.277 -1.645 1.00 0.00 N ATOM 1095 NH2 ARG A 86 1.681 15.276 -2.495 1.00 0.00 N ATOM 0 H ARG A 86 -2.807 10.874 -3.411 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.192 12.397 -5.859 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.237 10.312 -4.877 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.346 10.669 -6.589 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.416 12.017 -5.802 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.935 13.118 -5.985 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.413 13.015 -3.588 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.191 11.781 -3.358 1.00 0.00 H new ATOM 0 HE ARG A 86 1.213 13.888 -4.502 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.973 13.624 -1.744 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.095 14.826 -0.791 1.00 0.00 H new ATOM 0 HH21 ARG A 86 2.354 15.395 -3.252 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.775 15.822 -1.639 1.00 0.00 H new ATOM 1109 N TYR A 87 -3.831 9.151 -5.685 1.00 0.00 N ATOM 1110 CA TYR A 87 -4.474 8.025 -6.363 1.00 0.00 C ATOM 1111 C TYR A 87 -5.905 7.836 -5.867 1.00 0.00 C ATOM 1112 O TYR A 87 -6.434 6.722 -5.865 1.00 0.00 O ATOM 1113 CB TYR A 87 -3.675 6.739 -6.121 1.00 0.00 C ATOM 1114 CG TYR A 87 -2.235 6.783 -6.596 1.00 0.00 C ATOM 1115 CD1 TYR A 87 -1.915 6.528 -7.924 1.00 0.00 C ATOM 1116 CD2 TYR A 87 -1.192 7.058 -5.714 1.00 0.00 C ATOM 1117 CE1 TYR A 87 -0.603 6.549 -8.362 1.00 0.00 C ATOM 1118 CE2 TYR A 87 0.126 7.078 -6.144 1.00 0.00 C ATOM 1119 CZ TYR A 87 0.411 6.823 -7.468 1.00 0.00 C ATOM 1120 OH TYR A 87 1.718 6.833 -7.899 1.00 0.00 O ATOM 0 H TYR A 87 -3.388 8.903 -4.800 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.500 8.243 -7.431 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -3.684 6.519 -5.054 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -4.182 5.914 -6.621 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -2.705 6.309 -8.627 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -1.414 7.259 -4.676 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -0.374 6.352 -9.399 1.00 0.00 H new ATOM 0 HE2 TYR A 87 0.923 7.292 -5.447 1.00 0.00 H new ATOM 0 HH TYR A 87 2.154 7.659 -7.602 1.00 0.00 H new ATOM 1130 N GLY A 88 -6.544 8.929 -5.480 1.00 0.00 N ATOM 1131 CA GLY A 88 -7.843 8.843 -4.835 1.00 0.00 C ATOM 1132 C GLY A 88 -8.992 8.543 -5.781 1.00 0.00 C ATOM 1133 O GLY A 88 -10.155 8.730 -5.423 1.00 0.00 O ATOM 0 H GLY A 88 -6.188 9.877 -5.600 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -7.805 8.067 -4.070 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.045 9.784 -4.324 1.00 0.00 H new ATOM 1137 N ASN A 89 -8.685 8.091 -6.987 1.00 0.00 N ATOM 1138 CA ASN A 89 -9.723 7.673 -7.920 1.00 0.00 C ATOM 1139 C ASN A 89 -9.987 6.185 -7.764 1.00 0.00 C ATOM 1140 O ASN A 89 -11.065 5.687 -8.080 1.00 0.00 O ATOM 1141 CB ASN A 89 -9.319 7.994 -9.363 1.00 0.00 C ATOM 1142 CG ASN A 89 -10.410 7.658 -10.371 1.00 0.00 C ATOM 1143 OD1 ASN A 89 -10.451 6.557 -10.924 1.00 0.00 O ATOM 1144 ND2 ASN A 89 -11.291 8.612 -10.624 1.00 0.00 N ATOM 0 H ASN A 89 -7.733 8.004 -7.342 1.00 0.00 H new ATOM 0 HA ASN A 89 -10.637 8.223 -7.694 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -9.074 9.053 -9.440 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -8.415 7.439 -9.614 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -12.039 8.450 -11.298 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -11.222 9.510 -10.145 1.00 0.00 H new ATOM 1151 N PHE A 90 -8.997 5.492 -7.240 1.00 0.00 N ATOM 1152 CA PHE A 90 -9.091 4.054 -7.057 1.00 0.00 C ATOM 1153 C PHE A 90 -8.905 3.691 -5.588 1.00 0.00 C ATOM 1154 O PHE A 90 -9.500 2.733 -5.096 1.00 0.00 O ATOM 1155 CB PHE A 90 -8.045 3.339 -7.921 1.00 0.00 C ATOM 1156 CG PHE A 90 -8.134 1.838 -7.867 1.00 0.00 C ATOM 1157 CD1 PHE A 90 -8.957 1.145 -8.741 1.00 0.00 C ATOM 1158 CD2 PHE A 90 -7.392 1.123 -6.943 1.00 0.00 C ATOM 1159 CE1 PHE A 90 -9.037 -0.234 -8.692 1.00 0.00 C ATOM 1160 CE2 PHE A 90 -7.469 -0.256 -6.887 1.00 0.00 C ATOM 1161 CZ PHE A 90 -8.292 -0.934 -7.763 1.00 0.00 C ATOM 0 H PHE A 90 -8.115 5.901 -6.932 1.00 0.00 H new ATOM 0 HA PHE A 90 -10.083 3.728 -7.370 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -8.159 3.663 -8.955 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -7.050 3.646 -7.599 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -9.542 1.688 -9.468 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -6.745 1.649 -6.257 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -9.681 -0.763 -9.379 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -6.886 -0.802 -6.159 1.00 0.00 H new ATOM 0 HZ PHE A 90 -8.354 -2.011 -7.722 1.00 0.00 H new ATOM 1171 N VAL A 91 -8.081 4.460 -4.888 1.00 0.00 N ATOM 1172 CA VAL A 91 -7.779 4.168 -3.494 1.00 0.00 C ATOM 1173 C VAL A 91 -8.639 5.034 -2.573 1.00 0.00 C ATOM 1174 O VAL A 91 -9.137 6.086 -2.984 1.00 0.00 O ATOM 1175 CB VAL A 91 -6.276 4.388 -3.172 1.00 0.00 C ATOM 1176 CG1 VAL A 91 -5.419 4.253 -4.417 1.00 0.00 C ATOM 1177 CG2 VAL A 91 -6.034 5.738 -2.528 1.00 0.00 C ATOM 0 H VAL A 91 -7.613 5.286 -5.260 1.00 0.00 H new ATOM 0 HA VAL A 91 -8.008 3.116 -3.323 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.990 3.611 -2.463 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.372 4.413 -4.157 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.541 3.254 -4.836 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.727 4.995 -5.153 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.971 5.855 -2.317 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.359 6.528 -3.205 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.598 5.803 -1.597 1.00 0.00 H new ATOM 1187 N THR A 92 -8.830 4.584 -1.340 1.00 0.00 N ATOM 1188 CA THR A 92 -9.578 5.353 -0.357 1.00 0.00 C ATOM 1189 C THR A 92 -9.105 5.023 1.060 1.00 0.00 C ATOM 1190 O THR A 92 -8.717 3.894 1.342 1.00 0.00 O ATOM 1191 CB THR A 92 -11.096 5.060 -0.474 1.00 0.00 C ATOM 1192 OG1 THR A 92 -11.542 5.286 -1.819 1.00 0.00 O ATOM 1193 CG2 THR A 92 -11.901 5.930 0.480 1.00 0.00 C ATOM 0 H THR A 92 -8.477 3.690 -0.998 1.00 0.00 H new ATOM 0 HA THR A 92 -9.401 6.410 -0.555 1.00 0.00 H new ATOM 0 HB THR A 92 -11.254 4.015 -0.207 1.00 0.00 H new ATOM 0 HG1 THR A 92 -12.501 5.096 -1.882 1.00 0.00 H new ATOM 0 HG21 THR A 92 -12.961 5.701 0.374 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.588 5.732 1.505 1.00 0.00 H new ATOM 0 HG23 THR A 92 -11.731 6.981 0.245 1.00 0.00 H new ATOM 1201 N TYR A 93 -9.103 6.015 1.944 1.00 0.00 N ATOM 1202 CA TYR A 93 -8.757 5.777 3.336 1.00 0.00 C ATOM 1203 C TYR A 93 -10.031 5.668 4.160 1.00 0.00 C ATOM 1204 O TYR A 93 -10.704 6.665 4.415 1.00 0.00 O ATOM 1205 CB TYR A 93 -7.857 6.899 3.875 1.00 0.00 C ATOM 1206 CG TYR A 93 -7.521 6.757 5.345 1.00 0.00 C ATOM 1207 CD1 TYR A 93 -6.833 5.646 5.821 1.00 0.00 C ATOM 1208 CD2 TYR A 93 -7.893 7.737 6.255 1.00 0.00 C ATOM 1209 CE1 TYR A 93 -6.530 5.516 7.164 1.00 0.00 C ATOM 1210 CE2 TYR A 93 -7.592 7.615 7.597 1.00 0.00 C ATOM 1211 CZ TYR A 93 -6.913 6.503 8.047 1.00 0.00 C ATOM 1212 OH TYR A 93 -6.615 6.377 9.385 1.00 0.00 O ATOM 0 H TYR A 93 -9.335 6.983 1.722 1.00 0.00 H new ATOM 0 HA TYR A 93 -8.201 4.843 3.410 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -6.931 6.918 3.300 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.351 7.857 3.715 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.531 4.872 5.131 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -8.427 8.609 5.908 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.997 4.647 7.519 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -7.887 8.388 8.291 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.953 7.158 9.870 1.00 0.00 H new ATOM 1222 N ASP A 94 -10.357 4.448 4.549 1.00 0.00 N ATOM 1223 CA ASP A 94 -11.574 4.164 5.299 1.00 0.00 C ATOM 1224 C ASP A 94 -11.415 2.839 6.023 1.00 0.00 C ATOM 1225 O ASP A 94 -10.558 2.038 5.645 1.00 0.00 O ATOM 1226 CB ASP A 94 -12.775 4.088 4.351 1.00 0.00 C ATOM 1227 CG ASP A 94 -13.761 5.227 4.532 1.00 0.00 C ATOM 1228 OD1 ASP A 94 -13.755 5.847 5.615 1.00 0.00 O ATOM 1229 OD2 ASP A 94 -14.536 5.515 3.597 1.00 0.00 O ATOM 0 H ASP A 94 -9.787 3.624 4.355 1.00 0.00 H new ATOM 0 HA ASP A 94 -11.745 4.963 6.020 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -12.416 4.089 3.322 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -13.292 3.142 4.508 1.00 0.00 H new ATOM 1234 N PRO A 95 -12.214 2.590 7.072 1.00 0.00 N ATOM 1235 CA PRO A 95 -12.222 1.302 7.769 1.00 0.00 C ATOM 1236 C PRO A 95 -12.545 0.152 6.817 1.00 0.00 C ATOM 1237 O PRO A 95 -13.539 0.195 6.090 1.00 0.00 O ATOM 1238 CB PRO A 95 -13.334 1.451 8.812 1.00 0.00 C ATOM 1239 CG PRO A 95 -14.134 2.626 8.366 1.00 0.00 C ATOM 1240 CD PRO A 95 -13.165 3.534 7.673 1.00 0.00 C ATOM 0 HA PRO A 95 -11.251 1.069 8.205 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -13.949 0.552 8.863 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.921 1.611 9.808 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -14.936 2.322 7.693 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -14.602 3.126 9.214 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.655 4.150 6.919 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -12.676 4.213 8.371 1.00 0.00 H new