USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 617 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 40 ASN : amide:sc= -0.182 K(o=0.99,f=0.15) USER MOD Set 1.2: A 43 SER OG : rot 112:sc= 1.17 USER MOD Set 2.1: A 17 ASN : amide:sc= -1.73! C(o=-1.7!,f=-13!) USER MOD Set 2.2: A 34 TYR OH : rot 71:sc= 0.0202 USER MOD Single : A 11 GLN :FLIP amide:sc= -0.178 F(o=-0.74,f=-0.18) USER MOD Single : A 13 GLN : amide:sc= -0.0268 X(o=-0.027,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.546 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.774 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 180:sc= -0.015 USER MOD Single : A 60 THR OG1 : rot -73:sc= 0.194 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc=-0.00785 X(o=-0.0079,f=0) USER MOD Single : A 65 ASN : amide:sc= -1.61 K(o=-1.6,f=-5!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 6.448 6.378 -13.762 1.00 0.00 N ATOM 60 CA GLY A 7 5.013 6.597 -13.721 1.00 0.00 C ATOM 61 C GLY A 7 4.476 6.450 -12.296 1.00 0.00 C ATOM 62 O GLY A 7 4.878 5.544 -11.567 1.00 0.00 O ATOM 0 HA2 GLY A 7 4.783 7.593 -14.099 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.514 5.884 -14.377 1.00 0.00 H new ATOM 66 N LEU A 8 3.575 7.355 -11.941 1.00 0.00 N ATOM 67 CA LEU A 8 2.979 7.337 -10.616 1.00 0.00 C ATOM 68 C LEU A 8 2.649 5.894 -10.229 1.00 0.00 C ATOM 69 O LEU A 8 3.313 5.310 -9.373 1.00 0.00 O ATOM 70 CB LEU A 8 1.775 8.280 -10.557 1.00 0.00 C ATOM 71 CG LEU A 8 2.094 9.765 -10.378 1.00 0.00 C ATOM 72 CD1 LEU A 8 0.812 10.593 -10.276 1.00 0.00 C ATOM 73 CD2 LEU A 8 3.018 9.987 -9.179 1.00 0.00 C ATOM 0 H LEU A 8 3.244 8.105 -12.548 1.00 0.00 H new ATOM 0 HA LEU A 8 3.686 7.712 -9.876 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.200 8.161 -11.475 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.132 7.965 -9.735 1.00 0.00 H new ATOM 0 HG LEU A 8 2.629 10.109 -11.264 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.067 11.645 -10.149 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.225 10.469 -11.186 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.228 10.256 -9.420 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.229 11.051 -9.074 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.533 9.622 -8.273 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.951 9.446 -9.334 1.00 0.00 H new ATOM 85 N ARG A 9 1.624 5.360 -10.877 1.00 0.00 N ATOM 86 CA ARG A 9 1.199 3.997 -10.612 1.00 0.00 C ATOM 87 C ARG A 9 2.415 3.094 -10.392 1.00 0.00 C ATOM 88 O ARG A 9 2.476 2.358 -9.409 1.00 0.00 O ATOM 89 CB ARG A 9 0.365 3.444 -11.770 1.00 0.00 C ATOM 90 CG ARG A 9 -0.984 2.922 -11.273 1.00 0.00 C ATOM 91 CD ARG A 9 -1.361 1.618 -11.980 1.00 0.00 C ATOM 92 NE ARG A 9 -1.497 1.852 -13.435 1.00 0.00 N ATOM 93 CZ ARG A 9 -1.561 0.875 -14.349 1.00 0.00 C ATOM 94 NH1 ARG A 9 -1.502 -0.408 -13.966 1.00 0.00 N ATOM 95 NH2 ARG A 9 -1.685 1.180 -15.648 1.00 0.00 N ATOM 0 H ARG A 9 1.075 5.848 -11.585 1.00 0.00 H new ATOM 0 HA ARG A 9 0.585 4.011 -9.711 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.205 4.225 -12.513 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.910 2.640 -12.264 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.940 2.757 -10.197 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.755 3.672 -11.449 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.599 0.861 -11.795 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.297 1.233 -11.576 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.545 2.817 -13.762 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -1.408 -0.641 -12.977 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -1.551 -1.151 -14.663 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.731 2.156 -15.941 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.734 0.436 -16.344 1.00 0.00 H new ATOM 109 N GLU A 10 3.353 3.182 -11.324 1.00 0.00 N ATOM 110 CA GLU A 10 4.564 2.383 -11.244 1.00 0.00 C ATOM 111 C GLU A 10 5.253 2.596 -9.895 1.00 0.00 C ATOM 112 O GLU A 10 5.624 1.634 -9.224 1.00 0.00 O ATOM 113 CB GLU A 10 5.511 2.706 -12.401 1.00 0.00 C ATOM 114 CG GLU A 10 5.784 1.463 -13.250 1.00 0.00 C ATOM 115 CD GLU A 10 7.031 0.726 -12.758 1.00 0.00 C ATOM 116 OE1 GLU A 10 7.190 0.642 -11.521 1.00 0.00 O ATOM 117 OE2 GLU A 10 7.797 0.262 -13.631 1.00 0.00 O ATOM 0 H GLU A 10 3.299 3.794 -12.138 1.00 0.00 H new ATOM 0 HA GLU A 10 4.288 1.332 -11.326 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.076 3.488 -13.024 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.450 3.096 -12.009 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.923 0.795 -13.211 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.916 1.752 -14.293 1.00 0.00 H new ATOM 124 N GLN A 11 5.403 3.863 -9.537 1.00 0.00 N ATOM 125 CA GLN A 11 6.041 4.215 -8.280 1.00 0.00 C ATOM 126 C GLN A 11 5.369 3.479 -7.119 1.00 0.00 C ATOM 127 O GLN A 11 6.040 2.822 -6.324 1.00 0.00 O ATOM 128 CB GLN A 11 6.017 5.728 -8.057 1.00 0.00 C ATOM 129 CG GLN A 11 7.333 6.369 -8.503 1.00 0.00 C ATOM 130 CD GLN A 11 7.709 7.539 -7.591 1.00 0.00 C ATOM 131 OE1 GLN A 11 7.072 8.671 -7.872 1.00 0.00 O flip ATOM 132 NE2 GLN A 11 8.525 7.420 -6.692 1.00 0.00 N flip ATOM 0 H GLN A 11 5.094 4.658 -10.096 1.00 0.00 H new ATOM 0 HA GLN A 11 7.085 3.905 -8.326 1.00 0.00 H new ATOM 0 HB2 GLN A 11 5.188 6.168 -8.611 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.844 5.941 -7.002 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.128 5.623 -8.490 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.241 6.719 -9.531 1.00 0.00 H new ATOM 0 HE21 GLN A 11 8.978 6.521 -6.530 1.00 0.00 H new ATOM 0 HE22 GLN A 11 8.754 8.220 -6.102 1.00 0.00 H new ATOM 141 N VAL A 12 4.052 3.614 -7.058 1.00 0.00 N ATOM 142 CA VAL A 12 3.282 2.970 -6.008 1.00 0.00 C ATOM 143 C VAL A 12 3.354 1.452 -6.186 1.00 0.00 C ATOM 144 O VAL A 12 3.765 0.735 -5.274 1.00 0.00 O ATOM 145 CB VAL A 12 1.848 3.504 -6.008 1.00 0.00 C ATOM 146 CG1 VAL A 12 1.027 2.871 -4.883 1.00 0.00 C ATOM 147 CG2 VAL A 12 1.832 5.030 -5.908 1.00 0.00 C ATOM 0 H VAL A 12 3.499 4.160 -7.719 1.00 0.00 H new ATOM 0 HA VAL A 12 3.702 3.203 -5.029 1.00 0.00 H new ATOM 0 HB VAL A 12 1.387 3.226 -6.956 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.012 3.268 -4.906 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.997 1.790 -5.018 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.486 3.104 -3.922 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.801 5.384 -5.910 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.320 5.339 -4.984 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.363 5.456 -6.759 1.00 0.00 H new ATOM 157 N GLN A 13 2.950 1.006 -7.366 1.00 0.00 N ATOM 158 CA GLN A 13 2.964 -0.414 -7.675 1.00 0.00 C ATOM 159 C GLN A 13 4.248 -1.058 -7.149 1.00 0.00 C ATOM 160 O GLN A 13 4.265 -2.247 -6.833 1.00 0.00 O ATOM 161 CB GLN A 13 2.808 -0.649 -9.178 1.00 0.00 C ATOM 162 CG GLN A 13 1.369 -1.038 -9.526 1.00 0.00 C ATOM 163 CD GLN A 13 1.341 -2.169 -10.557 1.00 0.00 C ATOM 164 OE1 GLN A 13 1.666 -3.310 -10.274 1.00 0.00 O ATOM 165 NE2 GLN A 13 0.936 -1.789 -11.765 1.00 0.00 N ATOM 0 H GLN A 13 2.611 1.603 -8.120 1.00 0.00 H new ATOM 0 HA GLN A 13 2.115 -0.883 -7.178 1.00 0.00 H new ATOM 0 HB2 GLN A 13 3.086 0.254 -9.722 1.00 0.00 H new ATOM 0 HB3 GLN A 13 3.489 -1.437 -9.499 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.845 -1.351 -8.623 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.839 -0.170 -9.918 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.678 -0.817 -11.934 1.00 0.00 H new ATOM 0 HE22 GLN A 13 0.883 -2.470 -12.523 1.00 0.00 H new ATOM 174 N ASP A 14 5.292 -0.246 -7.072 1.00 0.00 N ATOM 175 CA ASP A 14 6.577 -0.723 -6.591 1.00 0.00 C ATOM 176 C ASP A 14 6.667 -0.494 -5.080 1.00 0.00 C ATOM 177 O ASP A 14 7.148 -1.356 -4.346 1.00 0.00 O ATOM 178 CB ASP A 14 7.729 0.035 -7.253 1.00 0.00 C ATOM 179 CG ASP A 14 8.971 -0.807 -7.549 1.00 0.00 C ATOM 180 OD1 ASP A 14 8.883 -2.038 -7.351 1.00 0.00 O ATOM 181 OD2 ASP A 14 9.982 -0.201 -7.967 1.00 0.00 O ATOM 0 H ASP A 14 5.274 0.739 -7.335 1.00 0.00 H new ATOM 0 HA ASP A 14 6.656 -1.783 -6.834 1.00 0.00 H new ATOM 0 HB2 ASP A 14 7.370 0.467 -8.187 1.00 0.00 H new ATOM 0 HB3 ASP A 14 8.016 0.865 -6.607 1.00 0.00 H new ATOM 186 N LEU A 15 6.198 0.672 -4.661 1.00 0.00 N ATOM 187 CA LEU A 15 6.219 1.025 -3.252 1.00 0.00 C ATOM 188 C LEU A 15 5.718 -0.162 -2.426 1.00 0.00 C ATOM 189 O LEU A 15 6.499 -0.818 -1.739 1.00 0.00 O ATOM 190 CB LEU A 15 5.435 2.316 -3.011 1.00 0.00 C ATOM 191 CG LEU A 15 5.204 2.697 -1.547 1.00 0.00 C ATOM 192 CD1 LEU A 15 6.516 3.103 -0.873 1.00 0.00 C ATOM 193 CD2 LEU A 15 4.136 3.786 -1.426 1.00 0.00 C ATOM 0 H LEU A 15 5.801 1.385 -5.273 1.00 0.00 H new ATOM 0 HA LEU A 15 7.238 1.233 -2.927 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.963 3.135 -3.500 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.465 2.225 -3.500 1.00 0.00 H new ATOM 0 HG LEU A 15 4.830 1.819 -1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.324 3.369 0.166 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.218 2.270 -0.911 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.943 3.960 -1.394 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.991 4.038 -0.376 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.458 4.673 -1.971 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.197 3.423 -1.845 1.00 0.00 H new ATOM 205 N PHE A 16 4.419 -0.401 -2.521 1.00 0.00 N ATOM 206 CA PHE A 16 3.804 -1.497 -1.791 1.00 0.00 C ATOM 207 C PHE A 16 4.636 -2.775 -1.919 1.00 0.00 C ATOM 208 O PHE A 16 4.635 -3.613 -1.019 1.00 0.00 O ATOM 209 CB PHE A 16 2.427 -1.734 -2.414 1.00 0.00 C ATOM 210 CG PHE A 16 1.433 -0.595 -2.177 1.00 0.00 C ATOM 211 CD1 PHE A 16 1.422 0.060 -0.985 1.00 0.00 C ATOM 212 CD2 PHE A 16 0.561 -0.239 -3.157 1.00 0.00 C ATOM 213 CE1 PHE A 16 0.499 1.117 -0.765 1.00 0.00 C ATOM 214 CE2 PHE A 16 -0.362 0.818 -2.937 1.00 0.00 C ATOM 215 CZ PHE A 16 -0.374 1.473 -1.745 1.00 0.00 C ATOM 0 H PHE A 16 3.775 0.145 -3.092 1.00 0.00 H new ATOM 0 HA PHE A 16 3.733 -1.246 -0.733 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.546 -1.882 -3.487 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.010 -2.656 -2.009 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.115 -0.223 -0.206 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.570 -0.760 -4.103 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.491 1.638 0.181 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.054 1.102 -3.716 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.077 2.276 -1.577 1.00 0.00 H new ATOM 225 N ASN A 17 5.324 -2.884 -3.046 1.00 0.00 N ATOM 226 CA ASN A 17 6.158 -4.046 -3.303 1.00 0.00 C ATOM 227 C ASN A 17 7.425 -3.959 -2.450 1.00 0.00 C ATOM 228 O ASN A 17 7.647 -4.796 -1.575 1.00 0.00 O ATOM 229 CB ASN A 17 6.581 -4.106 -4.772 1.00 0.00 C ATOM 230 CG ASN A 17 5.951 -5.309 -5.477 1.00 0.00 C ATOM 231 OD1 ASN A 17 5.131 -6.025 -4.925 1.00 0.00 O ATOM 232 ND2 ASN A 17 6.377 -5.490 -6.723 1.00 0.00 N ATOM 0 H ASN A 17 5.321 -2.187 -3.791 1.00 0.00 H new ATOM 0 HA ASN A 17 5.580 -4.937 -3.057 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.283 -3.187 -5.277 1.00 0.00 H new ATOM 0 HB3 ASN A 17 7.667 -4.169 -4.839 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.016 -6.266 -7.278 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.065 -4.853 -7.124 1.00 0.00 H new ATOM 239 N LYS A 18 8.222 -2.940 -2.733 1.00 0.00 N ATOM 240 CA LYS A 18 9.461 -2.733 -2.002 1.00 0.00 C ATOM 241 C LYS A 18 9.188 -2.849 -0.501 1.00 0.00 C ATOM 242 O LYS A 18 9.844 -3.622 0.195 1.00 0.00 O ATOM 243 CB LYS A 18 10.108 -1.407 -2.409 1.00 0.00 C ATOM 244 CG LYS A 18 11.626 -1.551 -2.524 1.00 0.00 C ATOM 245 CD LYS A 18 12.342 -0.407 -1.803 1.00 0.00 C ATOM 246 CE LYS A 18 12.842 0.642 -2.798 1.00 0.00 C ATOM 247 NZ LYS A 18 14.221 0.328 -3.234 1.00 0.00 N ATOM 0 H LYS A 18 8.034 -2.248 -3.459 1.00 0.00 H new ATOM 0 HA LYS A 18 10.186 -3.506 -2.255 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.697 -1.075 -3.363 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.867 -0.639 -1.674 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.938 -2.505 -2.099 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.915 -1.561 -3.575 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.663 0.059 -1.089 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.183 -0.802 -1.233 1.00 0.00 H new ATOM 0 HE2 LYS A 18 12.180 0.676 -3.663 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.816 1.630 -2.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.545 1.050 -3.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.853 0.319 -2.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.236 -0.606 -3.692 1.00 0.00 H new ATOM 261 N LYS A 19 8.218 -2.069 -0.047 1.00 0.00 N ATOM 262 CA LYS A 19 7.850 -2.075 1.359 1.00 0.00 C ATOM 263 C LYS A 19 7.740 -3.521 1.847 1.00 0.00 C ATOM 264 O LYS A 19 8.287 -3.870 2.892 1.00 0.00 O ATOM 265 CB LYS A 19 6.580 -1.252 1.584 1.00 0.00 C ATOM 266 CG LYS A 19 6.906 0.238 1.705 1.00 0.00 C ATOM 267 CD LYS A 19 7.240 0.610 3.151 1.00 0.00 C ATOM 268 CE LYS A 19 7.879 1.998 3.226 1.00 0.00 C ATOM 269 NZ LYS A 19 8.756 2.102 4.414 1.00 0.00 N ATOM 0 H LYS A 19 7.676 -1.429 -0.627 1.00 0.00 H new ATOM 0 HA LYS A 19 8.624 -1.594 1.957 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.888 -1.410 0.757 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.077 -1.593 2.489 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.749 0.483 1.059 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.057 0.829 1.360 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.332 0.590 3.754 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.919 -0.130 3.573 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.458 2.188 2.322 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.102 2.761 3.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.181 3.050 4.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.195 1.942 5.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.509 1.387 4.354 1.00 0.00 H new ATOM 283 N TYR A 20 7.030 -4.323 1.067 1.00 0.00 N ATOM 284 CA TYR A 20 6.842 -5.723 1.407 1.00 0.00 C ATOM 285 C TYR A 20 8.120 -6.320 2.001 1.00 0.00 C ATOM 286 O TYR A 20 8.105 -6.844 3.114 1.00 0.00 O ATOM 287 CB TYR A 20 6.524 -6.437 0.092 1.00 0.00 C ATOM 288 CG TYR A 20 5.734 -7.736 0.264 1.00 0.00 C ATOM 289 CD1 TYR A 20 4.416 -7.694 0.670 1.00 0.00 C ATOM 290 CD2 TYR A 20 6.341 -8.950 0.014 1.00 0.00 C ATOM 291 CE1 TYR A 20 3.673 -8.916 0.832 1.00 0.00 C ATOM 292 CE2 TYR A 20 5.597 -10.173 0.176 1.00 0.00 C ATOM 293 CZ TYR A 20 4.300 -10.096 0.577 1.00 0.00 C ATOM 294 OH TYR A 20 3.598 -11.250 0.730 1.00 0.00 O ATOM 0 H TYR A 20 6.578 -4.030 0.201 1.00 0.00 H new ATOM 0 HA TYR A 20 6.049 -5.835 2.146 1.00 0.00 H new ATOM 0 HB2 TYR A 20 5.957 -5.761 -0.549 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.458 -6.658 -0.425 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.942 -6.744 0.866 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.373 -8.983 -0.303 1.00 0.00 H new ATOM 0 HE1 TYR A 20 2.641 -8.897 1.149 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.059 -11.130 -0.017 1.00 0.00 H new ATOM 0 HH TYR A 20 4.172 -12.014 0.512 1.00 0.00 H new ATOM 304 N GLY A 21 9.194 -6.219 1.233 1.00 0.00 N ATOM 305 CA GLY A 21 10.478 -6.742 1.670 1.00 0.00 C ATOM 306 C GLY A 21 10.726 -6.425 3.146 1.00 0.00 C ATOM 307 O GLY A 21 11.267 -7.251 3.879 1.00 0.00 O ATOM 0 H GLY A 21 9.202 -5.783 0.311 1.00 0.00 H new ATOM 0 HA2 GLY A 21 10.507 -7.821 1.516 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.275 -6.312 1.063 1.00 0.00 H new ATOM 311 N GLU A 22 10.317 -5.227 3.537 1.00 0.00 N ATOM 312 CA GLU A 22 10.488 -4.791 4.913 1.00 0.00 C ATOM 313 C GLU A 22 9.527 -5.547 5.833 1.00 0.00 C ATOM 314 O GLU A 22 9.948 -6.139 6.825 1.00 0.00 O ATOM 315 CB GLU A 22 10.291 -3.279 5.037 1.00 0.00 C ATOM 316 CG GLU A 22 11.273 -2.522 4.141 1.00 0.00 C ATOM 317 CD GLU A 22 11.085 -1.010 4.275 1.00 0.00 C ATOM 318 OE1 GLU A 22 11.370 -0.499 5.380 1.00 0.00 O ATOM 319 OE2 GLU A 22 10.661 -0.399 3.270 1.00 0.00 O ATOM 0 H GLU A 22 9.868 -4.545 2.926 1.00 0.00 H new ATOM 0 HA GLU A 22 11.509 -5.018 5.222 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.269 -3.018 4.763 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.431 -2.974 6.074 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.295 -2.790 4.408 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.127 -2.819 3.103 1.00 0.00 H new ATOM 326 N ALA A 23 8.253 -5.502 5.470 1.00 0.00 N ATOM 327 CA ALA A 23 7.229 -6.175 6.251 1.00 0.00 C ATOM 328 C ALA A 23 7.719 -7.575 6.628 1.00 0.00 C ATOM 329 O ALA A 23 7.454 -8.053 7.730 1.00 0.00 O ATOM 330 CB ALA A 23 5.922 -6.209 5.456 1.00 0.00 C ATOM 0 H ALA A 23 7.907 -5.010 4.646 1.00 0.00 H new ATOM 0 HA ALA A 23 7.034 -5.634 7.177 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.153 -6.714 6.041 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.602 -5.190 5.238 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.079 -6.748 4.521 1.00 0.00 H new ATOM 336 N LEU A 24 8.424 -8.192 5.692 1.00 0.00 N ATOM 337 CA LEU A 24 8.953 -9.528 5.912 1.00 0.00 C ATOM 338 C LEU A 24 10.339 -9.423 6.550 1.00 0.00 C ATOM 339 O LEU A 24 10.736 -10.291 7.327 1.00 0.00 O ATOM 340 CB LEU A 24 8.933 -10.333 4.611 1.00 0.00 C ATOM 341 CG LEU A 24 7.609 -10.337 3.845 1.00 0.00 C ATOM 342 CD1 LEU A 24 7.780 -10.963 2.459 1.00 0.00 C ATOM 343 CD2 LEU A 24 6.510 -11.028 4.654 1.00 0.00 C ATOM 0 H LEU A 24 8.642 -7.792 4.779 1.00 0.00 H new ATOM 0 HA LEU A 24 8.322 -10.079 6.609 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.709 -9.942 3.953 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.200 -11.364 4.841 1.00 0.00 H new ATOM 0 HG LEU A 24 7.297 -9.303 3.696 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.824 -10.954 1.935 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.512 -10.391 1.889 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.126 -11.991 2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.579 -11.017 4.087 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.800 -12.059 4.855 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.366 -10.501 5.597 1.00 0.00 H new ATOM 355 N GLY A 25 11.039 -8.354 6.198 1.00 0.00 N ATOM 356 CA GLY A 25 12.372 -8.125 6.727 1.00 0.00 C ATOM 357 C GLY A 25 13.430 -8.283 5.633 1.00 0.00 C ATOM 358 O GLY A 25 14.568 -7.843 5.796 1.00 0.00 O ATOM 0 H GLY A 25 10.707 -7.637 5.553 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.431 -7.124 7.153 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.572 -8.828 7.536 1.00 0.00 H new ATOM 362 N ILE A 26 13.018 -8.912 4.542 1.00 0.00 N ATOM 363 CA ILE A 26 13.916 -9.134 3.422 1.00 0.00 C ATOM 364 C ILE A 26 14.670 -7.838 3.114 1.00 0.00 C ATOM 365 O ILE A 26 14.285 -6.766 3.579 1.00 0.00 O ATOM 366 CB ILE A 26 13.150 -9.699 2.224 1.00 0.00 C ATOM 367 CG1 ILE A 26 12.965 -11.212 2.357 1.00 0.00 C ATOM 368 CG2 ILE A 26 13.830 -9.318 0.908 1.00 0.00 C ATOM 369 CD1 ILE A 26 11.730 -11.683 1.586 1.00 0.00 C ATOM 0 H ILE A 26 12.074 -9.275 4.410 1.00 0.00 H new ATOM 0 HA ILE A 26 14.663 -9.886 3.676 1.00 0.00 H new ATOM 0 HB ILE A 26 12.156 -9.252 2.213 1.00 0.00 H new ATOM 0 HG12 ILE A 26 13.850 -11.725 1.981 1.00 0.00 H new ATOM 0 HG13 ILE A 26 12.865 -11.479 3.409 1.00 0.00 H new ATOM 0 HG21 ILE A 26 13.265 -9.732 0.073 1.00 0.00 H new ATOM 0 HG22 ILE A 26 13.866 -8.232 0.818 1.00 0.00 H new ATOM 0 HG23 ILE A 26 14.844 -9.717 0.893 1.00 0.00 H new ATOM 0 HD11 ILE A 26 11.621 -12.762 1.697 1.00 0.00 H new ATOM 0 HD12 ILE A 26 10.843 -11.187 1.981 1.00 0.00 H new ATOM 0 HD13 ILE A 26 11.844 -11.436 0.530 1.00 0.00 H new ATOM 381 N LYS A 27 15.729 -7.979 2.331 1.00 0.00 N ATOM 382 CA LYS A 27 16.540 -6.833 1.955 1.00 0.00 C ATOM 383 C LYS A 27 16.297 -6.503 0.481 1.00 0.00 C ATOM 384 O LYS A 27 16.360 -5.341 0.082 1.00 0.00 O ATOM 385 CB LYS A 27 18.011 -7.082 2.295 1.00 0.00 C ATOM 386 CG LYS A 27 18.494 -6.117 3.379 1.00 0.00 C ATOM 387 CD LYS A 27 19.907 -5.615 3.075 1.00 0.00 C ATOM 388 CE LYS A 27 20.599 -5.122 4.348 1.00 0.00 C ATOM 389 NZ LYS A 27 21.948 -5.719 4.468 1.00 0.00 N ATOM 0 H LYS A 27 16.045 -8.869 1.946 1.00 0.00 H new ATOM 0 HA LYS A 27 16.248 -5.955 2.531 1.00 0.00 H new ATOM 0 HB2 LYS A 27 18.141 -8.110 2.634 1.00 0.00 H new ATOM 0 HB3 LYS A 27 18.620 -6.963 1.399 1.00 0.00 H new ATOM 0 HG2 LYS A 27 17.811 -5.271 3.449 1.00 0.00 H new ATOM 0 HG3 LYS A 27 18.482 -6.617 4.348 1.00 0.00 H new ATOM 0 HD2 LYS A 27 20.493 -6.417 2.625 1.00 0.00 H new ATOM 0 HD3 LYS A 27 19.861 -4.806 2.345 1.00 0.00 H new ATOM 0 HE2 LYS A 27 20.676 -4.035 4.330 1.00 0.00 H new ATOM 0 HE3 LYS A 27 20.000 -5.384 5.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 22.404 -5.374 5.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 21.867 -6.755 4.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 22.522 -5.448 3.645 1.00 0.00 H new ATOM 403 N TYR A 28 16.023 -7.547 -0.289 1.00 0.00 N ATOM 404 CA TYR A 28 15.771 -7.383 -1.710 1.00 0.00 C ATOM 405 C TYR A 28 14.293 -7.085 -1.973 1.00 0.00 C ATOM 406 O TYR A 28 13.449 -7.298 -1.104 1.00 0.00 O ATOM 407 CB TYR A 28 16.133 -8.719 -2.360 1.00 0.00 C ATOM 408 CG TYR A 28 15.609 -9.942 -1.604 1.00 0.00 C ATOM 409 CD1 TYR A 28 14.321 -10.386 -1.820 1.00 0.00 C ATOM 410 CD2 TYR A 28 16.424 -10.599 -0.705 1.00 0.00 C ATOM 411 CE1 TYR A 28 13.827 -11.537 -1.109 1.00 0.00 C ATOM 412 CE2 TYR A 28 15.931 -11.750 0.006 1.00 0.00 C ATOM 413 CZ TYR A 28 14.656 -12.162 -0.231 1.00 0.00 C ATOM 414 OH TYR A 28 14.190 -13.248 0.442 1.00 0.00 O ATOM 0 H TYR A 28 15.970 -8.509 0.045 1.00 0.00 H new ATOM 0 HA TYR A 28 16.353 -6.553 -2.110 1.00 0.00 H new ATOM 0 HB2 TYR A 28 15.738 -8.736 -3.376 1.00 0.00 H new ATOM 0 HB3 TYR A 28 17.218 -8.791 -2.439 1.00 0.00 H new ATOM 0 HD1 TYR A 28 13.683 -9.870 -2.522 1.00 0.00 H new ATOM 0 HD2 TYR A 28 17.432 -10.250 -0.535 1.00 0.00 H new ATOM 0 HE1 TYR A 28 12.821 -11.896 -1.270 1.00 0.00 H new ATOM 0 HE2 TYR A 28 16.559 -12.274 0.711 1.00 0.00 H new ATOM 0 HH TYR A 28 14.891 -13.592 1.034 1.00 0.00 H new ATOM 424 N PRO A 29 14.018 -6.586 -3.208 1.00 0.00 N ATOM 425 CA PRO A 29 12.657 -6.258 -3.597 1.00 0.00 C ATOM 426 C PRO A 29 11.851 -7.524 -3.891 1.00 0.00 C ATOM 427 O PRO A 29 12.170 -8.265 -4.820 1.00 0.00 O ATOM 428 CB PRO A 29 12.802 -5.350 -4.807 1.00 0.00 C ATOM 429 CG PRO A 29 14.210 -5.578 -5.333 1.00 0.00 C ATOM 430 CD PRO A 29 14.992 -6.322 -4.263 1.00 0.00 C ATOM 0 HA PRO A 29 12.102 -5.756 -2.804 1.00 0.00 H new ATOM 0 HB2 PRO A 29 12.058 -5.590 -5.567 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.652 -4.306 -4.532 1.00 0.00 H new ATOM 0 HG2 PRO A 29 14.183 -6.155 -6.257 1.00 0.00 H new ATOM 0 HG3 PRO A 29 14.690 -4.627 -5.565 1.00 0.00 H new ATOM 0 HD2 PRO A 29 15.414 -7.248 -4.653 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.824 -5.724 -3.893 1.00 0.00 H new ATOM 438 N VAL A 30 10.821 -7.732 -3.084 1.00 0.00 N ATOM 439 CA VAL A 30 9.966 -8.896 -3.247 1.00 0.00 C ATOM 440 C VAL A 30 8.632 -8.462 -3.857 1.00 0.00 C ATOM 441 O VAL A 30 8.266 -7.290 -3.788 1.00 0.00 O ATOM 442 CB VAL A 30 9.805 -9.618 -1.907 1.00 0.00 C ATOM 443 CG1 VAL A 30 9.163 -10.994 -2.100 1.00 0.00 C ATOM 444 CG2 VAL A 30 11.147 -9.735 -1.183 1.00 0.00 C ATOM 0 H VAL A 30 10.559 -7.114 -2.316 1.00 0.00 H new ATOM 0 HA VAL A 30 10.420 -9.611 -3.934 1.00 0.00 H new ATOM 0 HB VAL A 30 9.139 -9.022 -1.283 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.060 -11.486 -1.133 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.179 -10.876 -2.554 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.792 -11.601 -2.751 1.00 0.00 H new ATOM 0 HG21 VAL A 30 11.005 -10.252 -0.234 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.846 -10.298 -1.801 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.548 -8.739 -0.997 1.00 0.00 H new ATOM 454 N GLN A 31 7.941 -9.431 -4.440 1.00 0.00 N ATOM 455 CA GLN A 31 6.655 -9.163 -5.061 1.00 0.00 C ATOM 456 C GLN A 31 5.524 -9.374 -4.053 1.00 0.00 C ATOM 457 O GLN A 31 5.636 -10.207 -3.155 1.00 0.00 O ATOM 458 CB GLN A 31 6.454 -10.036 -6.302 1.00 0.00 C ATOM 459 CG GLN A 31 5.860 -11.395 -5.925 1.00 0.00 C ATOM 460 CD GLN A 31 6.371 -12.495 -6.858 1.00 0.00 C ATOM 461 OE1 GLN A 31 7.177 -13.333 -6.489 1.00 0.00 O ATOM 462 NE2 GLN A 31 5.859 -12.444 -8.085 1.00 0.00 N ATOM 0 H GLN A 31 8.247 -10.402 -4.495 1.00 0.00 H new ATOM 0 HA GLN A 31 6.638 -8.122 -5.382 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.793 -9.529 -7.005 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.408 -10.180 -6.808 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.121 -11.637 -4.895 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.772 -11.347 -5.975 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.188 -11.715 -8.328 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.137 -13.134 -8.783 1.00 0.00 H new ATOM 471 N VAL A 32 4.461 -8.605 -4.235 1.00 0.00 N ATOM 472 CA VAL A 32 3.311 -8.697 -3.352 1.00 0.00 C ATOM 473 C VAL A 32 2.284 -9.656 -3.957 1.00 0.00 C ATOM 474 O VAL A 32 1.999 -9.593 -5.152 1.00 0.00 O ATOM 475 CB VAL A 32 2.741 -7.301 -3.088 1.00 0.00 C ATOM 476 CG1 VAL A 32 1.397 -7.386 -2.361 1.00 0.00 C ATOM 477 CG2 VAL A 32 3.735 -6.443 -2.303 1.00 0.00 C ATOM 0 H VAL A 32 4.372 -7.915 -4.981 1.00 0.00 H new ATOM 0 HA VAL A 32 3.605 -9.103 -2.384 1.00 0.00 H new ATOM 0 HB VAL A 32 2.571 -6.821 -4.052 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.014 -6.381 -2.186 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.687 -7.943 -2.972 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.531 -7.895 -1.406 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.306 -5.456 -2.129 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.951 -6.919 -1.346 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.658 -6.341 -2.874 1.00 0.00 H new ATOM 487 N PRO A 33 1.744 -10.546 -3.082 1.00 0.00 N ATOM 488 CA PRO A 33 0.755 -11.518 -3.517 1.00 0.00 C ATOM 489 C PRO A 33 -0.606 -10.854 -3.738 1.00 0.00 C ATOM 490 O PRO A 33 -1.522 -11.025 -2.934 1.00 0.00 O ATOM 491 CB PRO A 33 0.731 -12.572 -2.423 1.00 0.00 C ATOM 492 CG PRO A 33 1.361 -11.920 -1.202 1.00 0.00 C ATOM 493 CD PRO A 33 2.058 -10.649 -1.660 1.00 0.00 C ATOM 0 HA PRO A 33 1.002 -11.968 -4.479 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.289 -12.893 -2.212 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.288 -13.459 -2.723 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.600 -11.690 -0.456 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.073 -12.598 -0.732 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.697 -9.779 -1.111 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.134 -10.706 -1.495 1.00 0.00 H new ATOM 501 N TYR A 34 -0.696 -10.111 -4.831 1.00 0.00 N ATOM 502 CA TYR A 34 -1.930 -9.421 -5.167 1.00 0.00 C ATOM 503 C TYR A 34 -3.100 -10.402 -5.257 1.00 0.00 C ATOM 504 O TYR A 34 -4.132 -10.204 -4.618 1.00 0.00 O ATOM 505 CB TYR A 34 -1.700 -8.792 -6.543 1.00 0.00 C ATOM 506 CG TYR A 34 -0.560 -7.772 -6.578 1.00 0.00 C ATOM 507 CD1 TYR A 34 -0.257 -7.036 -5.450 1.00 0.00 C ATOM 508 CD2 TYR A 34 0.166 -7.587 -7.737 1.00 0.00 C ATOM 509 CE1 TYR A 34 0.815 -6.076 -5.483 1.00 0.00 C ATOM 510 CE2 TYR A 34 1.238 -6.627 -7.770 1.00 0.00 C ATOM 511 CZ TYR A 34 1.510 -5.919 -6.642 1.00 0.00 C ATOM 512 OH TYR A 34 2.524 -5.012 -6.673 1.00 0.00 O ATOM 0 H TYR A 34 0.065 -9.972 -5.495 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.176 -8.682 -4.405 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -1.488 -9.583 -7.262 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -2.620 -8.305 -6.867 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.824 -7.181 -4.543 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.070 -8.163 -8.620 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.062 -5.494 -4.608 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.813 -6.473 -8.671 1.00 0.00 H new ATOM 0 HH TYR A 34 3.278 -5.346 -6.144 1.00 0.00 H new ATOM 522 N LYS A 35 -2.899 -11.440 -6.056 1.00 0.00 N ATOM 523 CA LYS A 35 -3.925 -12.453 -6.238 1.00 0.00 C ATOM 524 C LYS A 35 -4.474 -12.869 -4.871 1.00 0.00 C ATOM 525 O LYS A 35 -5.644 -12.636 -4.572 1.00 0.00 O ATOM 526 CB LYS A 35 -3.383 -13.622 -7.064 1.00 0.00 C ATOM 527 CG LYS A 35 -4.523 -14.410 -7.712 1.00 0.00 C ATOM 528 CD LYS A 35 -5.123 -13.639 -8.889 1.00 0.00 C ATOM 529 CE LYS A 35 -4.594 -14.173 -10.222 1.00 0.00 C ATOM 530 NZ LYS A 35 -4.765 -13.163 -11.290 1.00 0.00 N ATOM 0 H LYS A 35 -2.041 -11.601 -6.584 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.761 -12.049 -6.809 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.711 -13.246 -7.836 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.797 -14.282 -6.425 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.153 -15.376 -8.056 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.297 -14.611 -6.972 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.210 -13.721 -8.866 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.881 -12.580 -8.796 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.540 -14.432 -10.124 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.123 -15.087 -10.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.401 -13.542 -12.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.774 -12.936 -11.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.240 -12.301 -11.040 1.00 0.00 H new ATOM 544 N ARG A 36 -3.603 -13.476 -4.079 1.00 0.00 N ATOM 545 CA ARG A 36 -3.986 -13.926 -2.752 1.00 0.00 C ATOM 546 C ARG A 36 -4.568 -12.764 -1.945 1.00 0.00 C ATOM 547 O ARG A 36 -5.464 -12.960 -1.125 1.00 0.00 O ATOM 548 CB ARG A 36 -2.787 -14.509 -2.001 1.00 0.00 C ATOM 549 CG ARG A 36 -2.128 -15.630 -2.806 1.00 0.00 C ATOM 550 CD ARG A 36 -2.577 -17.004 -2.304 1.00 0.00 C ATOM 551 NE ARG A 36 -2.446 -18.006 -3.385 1.00 0.00 N ATOM 552 CZ ARG A 36 -2.920 -19.257 -3.311 1.00 0.00 C ATOM 553 NH1 ARG A 36 -3.559 -19.668 -2.206 1.00 0.00 N ATOM 554 NH2 ARG A 36 -2.755 -20.099 -4.341 1.00 0.00 N ATOM 0 H ARG A 36 -2.633 -13.667 -4.331 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.740 -14.704 -2.870 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.059 -13.722 -1.804 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.111 -14.893 -1.034 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.383 -15.523 -3.860 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.044 -15.548 -2.730 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.974 -17.302 -1.446 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.612 -16.956 -1.965 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.965 -17.727 -4.240 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.684 -19.028 -1.422 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.920 -20.620 -2.150 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.268 -19.787 -5.182 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.116 -21.051 -4.284 1.00 0.00 H new ATOM 568 N ILE A 37 -4.036 -11.579 -2.206 1.00 0.00 N ATOM 569 CA ILE A 37 -4.492 -10.385 -1.514 1.00 0.00 C ATOM 570 C ILE A 37 -5.900 -10.029 -1.995 1.00 0.00 C ATOM 571 O ILE A 37 -6.670 -9.408 -1.264 1.00 0.00 O ATOM 572 CB ILE A 37 -3.479 -9.250 -1.680 1.00 0.00 C ATOM 573 CG1 ILE A 37 -2.327 -9.392 -0.683 1.00 0.00 C ATOM 574 CG2 ILE A 37 -4.163 -7.886 -1.576 1.00 0.00 C ATOM 575 CD1 ILE A 37 -1.275 -8.304 -0.903 1.00 0.00 C ATOM 0 H ILE A 37 -3.294 -11.420 -2.887 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.558 -10.567 -0.441 1.00 0.00 H new ATOM 0 HB ILE A 37 -3.049 -9.319 -2.679 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.712 -9.330 0.335 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.867 -10.374 -0.790 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -3.421 -7.097 -1.697 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.918 -7.797 -2.357 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.638 -7.791 -0.599 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.467 -8.428 -0.182 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.874 -8.384 -1.914 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.732 -7.324 -0.771 1.00 0.00 H new ATOM 587 N LYS A 38 -6.193 -10.437 -3.221 1.00 0.00 N ATOM 588 CA LYS A 38 -7.495 -10.168 -3.807 1.00 0.00 C ATOM 589 C LYS A 38 -8.490 -11.232 -3.339 1.00 0.00 C ATOM 590 O LYS A 38 -9.532 -10.905 -2.773 1.00 0.00 O ATOM 591 CB LYS A 38 -7.384 -10.058 -5.329 1.00 0.00 C ATOM 592 CG LYS A 38 -7.380 -8.594 -5.774 1.00 0.00 C ATOM 593 CD LYS A 38 -8.746 -8.185 -6.326 1.00 0.00 C ATOM 594 CE LYS A 38 -8.990 -8.807 -7.703 1.00 0.00 C ATOM 595 NZ LYS A 38 -10.202 -8.228 -8.326 1.00 0.00 N ATOM 0 H LYS A 38 -5.551 -10.952 -3.824 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.874 -9.204 -3.467 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.470 -10.547 -5.667 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.218 -10.582 -5.797 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.118 -7.955 -4.931 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.616 -8.444 -6.537 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.530 -8.500 -5.637 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.803 -7.099 -6.398 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.126 -8.634 -8.345 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.104 -9.887 -7.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.353 -8.661 -9.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.027 -8.415 -7.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.079 -7.201 -8.436 1.00 0.00 H new ATOM 609 N SER A 39 -8.133 -12.482 -3.591 1.00 0.00 N ATOM 610 CA SER A 39 -8.982 -13.596 -3.202 1.00 0.00 C ATOM 611 C SER A 39 -9.183 -13.595 -1.686 1.00 0.00 C ATOM 612 O SER A 39 -10.301 -13.776 -1.205 1.00 0.00 O ATOM 613 CB SER A 39 -8.385 -14.929 -3.658 1.00 0.00 C ATOM 614 OG SER A 39 -9.114 -15.498 -4.742 1.00 0.00 O ATOM 0 H SER A 39 -7.267 -12.749 -4.060 1.00 0.00 H new ATOM 0 HA SER A 39 -9.949 -13.476 -3.690 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.348 -14.778 -3.958 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.376 -15.627 -2.821 1.00 0.00 H new ATOM 0 HG SER A 39 -8.700 -16.347 -5.005 1.00 0.00 H new ATOM 620 N ASN A 40 -8.085 -13.389 -0.975 1.00 0.00 N ATOM 621 CA ASN A 40 -8.127 -13.362 0.477 1.00 0.00 C ATOM 622 C ASN A 40 -7.639 -12.000 0.973 1.00 0.00 C ATOM 623 O ASN A 40 -6.469 -11.658 0.807 1.00 0.00 O ATOM 624 CB ASN A 40 -7.216 -14.437 1.075 1.00 0.00 C ATOM 625 CG ASN A 40 -7.433 -14.562 2.584 1.00 0.00 C ATOM 626 OD1 ASN A 40 -6.638 -14.111 3.392 1.00 0.00 O ATOM 627 ND2 ASN A 40 -8.552 -15.199 2.918 1.00 0.00 N ATOM 0 H ASN A 40 -7.160 -13.239 -1.378 1.00 0.00 H new ATOM 0 HA ASN A 40 -9.155 -13.547 0.787 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -7.415 -15.395 0.595 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -6.174 -14.189 0.873 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.788 -15.335 3.901 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.174 -15.552 2.191 1.00 0.00 H new ATOM 634 N PRO A 41 -8.584 -11.238 1.586 1.00 0.00 N ATOM 635 CA PRO A 41 -8.263 -9.920 2.106 1.00 0.00 C ATOM 636 C PRO A 41 -7.456 -10.025 3.402 1.00 0.00 C ATOM 637 O PRO A 41 -6.767 -9.081 3.786 1.00 0.00 O ATOM 638 CB PRO A 41 -9.605 -9.234 2.295 1.00 0.00 C ATOM 639 CG PRO A 41 -10.642 -10.344 2.316 1.00 0.00 C ATOM 640 CD PRO A 41 -9.980 -11.611 1.799 1.00 0.00 C ATOM 0 HA PRO A 41 -7.629 -9.344 1.432 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -9.625 -8.664 3.224 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -9.802 -8.531 1.485 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -11.018 -10.496 3.328 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.497 -10.079 1.694 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -10.067 -12.425 2.518 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.445 -11.952 0.874 1.00 0.00 H new ATOM 648 N GLY A 42 -7.569 -11.180 4.040 1.00 0.00 N ATOM 649 CA GLY A 42 -6.860 -11.420 5.286 1.00 0.00 C ATOM 650 C GLY A 42 -5.442 -11.931 5.019 1.00 0.00 C ATOM 651 O GLY A 42 -4.995 -12.888 5.649 1.00 0.00 O ATOM 0 H GLY A 42 -8.141 -11.961 3.718 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.815 -10.499 5.867 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.406 -12.148 5.885 1.00 0.00 H new ATOM 655 N SER A 43 -4.775 -11.269 4.084 1.00 0.00 N ATOM 656 CA SER A 43 -3.418 -11.644 3.727 1.00 0.00 C ATOM 657 C SER A 43 -2.426 -10.635 4.308 1.00 0.00 C ATOM 658 O SER A 43 -1.690 -10.949 5.241 1.00 0.00 O ATOM 659 CB SER A 43 -3.254 -11.737 2.209 1.00 0.00 C ATOM 660 OG SER A 43 -4.272 -12.533 1.609 1.00 0.00 O ATOM 0 H SER A 43 -5.150 -10.476 3.564 1.00 0.00 H new ATOM 0 HA SER A 43 -3.213 -12.628 4.148 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.277 -10.735 1.780 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.277 -12.161 1.975 1.00 0.00 H new ATOM 0 HG SER A 43 -4.853 -11.964 1.062 1.00 0.00 H new ATOM 666 N VAL A 44 -2.438 -9.442 3.730 1.00 0.00 N ATOM 667 CA VAL A 44 -1.549 -8.384 4.179 1.00 0.00 C ATOM 668 C VAL A 44 -2.373 -7.143 4.524 1.00 0.00 C ATOM 669 O VAL A 44 -3.130 -6.645 3.692 1.00 0.00 O ATOM 670 CB VAL A 44 -0.479 -8.116 3.118 1.00 0.00 C ATOM 671 CG1 VAL A 44 0.197 -6.763 3.352 1.00 0.00 C ATOM 672 CG2 VAL A 44 0.553 -9.245 3.082 1.00 0.00 C ATOM 0 H VAL A 44 -3.049 -9.185 2.955 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.022 -8.685 5.085 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.972 -8.082 2.146 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.953 -6.597 2.585 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.549 -5.970 3.304 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.669 -6.757 4.334 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.302 -9.029 2.320 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.038 -9.325 4.055 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.055 -10.186 2.846 1.00 0.00 H new ATOM 682 N ILE A 45 -2.198 -6.678 5.753 1.00 0.00 N ATOM 683 CA ILE A 45 -2.917 -5.504 6.218 1.00 0.00 C ATOM 684 C ILE A 45 -2.096 -4.252 5.905 1.00 0.00 C ATOM 685 O ILE A 45 -0.891 -4.218 6.149 1.00 0.00 O ATOM 686 CB ILE A 45 -3.278 -5.649 7.698 1.00 0.00 C ATOM 687 CG1 ILE A 45 -3.623 -7.100 8.039 1.00 0.00 C ATOM 688 CG2 ILE A 45 -4.402 -4.686 8.085 1.00 0.00 C ATOM 689 CD1 ILE A 45 -3.955 -7.250 9.525 1.00 0.00 C ATOM 0 H ILE A 45 -1.569 -7.093 6.440 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.866 -5.404 5.690 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.404 -5.379 8.291 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.472 -7.426 7.438 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.784 -7.747 7.783 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.639 -4.810 9.142 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.081 -3.660 7.903 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -5.287 -4.901 7.487 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -4.197 -8.291 9.741 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.096 -6.946 10.122 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.810 -6.620 9.772 1.00 0.00 H new ATOM 701 N ILE A 46 -2.782 -3.253 5.369 1.00 0.00 N ATOM 702 CA ILE A 46 -2.131 -2.001 5.019 1.00 0.00 C ATOM 703 C ILE A 46 -2.746 -0.866 5.840 1.00 0.00 C ATOM 704 O ILE A 46 -3.956 -0.649 5.798 1.00 0.00 O ATOM 705 CB ILE A 46 -2.190 -1.770 3.508 1.00 0.00 C ATOM 706 CG1 ILE A 46 -1.155 -2.630 2.781 1.00 0.00 C ATOM 707 CG2 ILE A 46 -2.038 -0.285 3.174 1.00 0.00 C ATOM 708 CD1 ILE A 46 -1.233 -2.420 1.267 1.00 0.00 C ATOM 0 H ILE A 46 -3.782 -3.285 5.169 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.071 -2.039 5.270 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.173 -2.081 3.153 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.155 -2.379 3.135 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.322 -3.681 3.015 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.083 -0.149 2.094 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.844 0.278 3.645 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.078 0.075 3.545 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.487 -3.043 0.774 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.226 -2.695 0.912 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.042 -1.372 1.035 1.00 0.00 H new ATOM 720 N GLU A 47 -1.884 -0.170 6.567 1.00 0.00 N ATOM 721 CA GLU A 47 -2.327 0.938 7.396 1.00 0.00 C ATOM 722 C GLU A 47 -1.373 2.125 7.250 1.00 0.00 C ATOM 723 O GLU A 47 -0.263 1.975 6.741 1.00 0.00 O ATOM 724 CB GLU A 47 -2.451 0.512 8.860 1.00 0.00 C ATOM 725 CG GLU A 47 -3.868 0.024 9.171 1.00 0.00 C ATOM 726 CD GLU A 47 -4.663 1.094 9.923 1.00 0.00 C ATOM 727 OE1 GLU A 47 -4.112 1.618 10.915 1.00 0.00 O ATOM 728 OE2 GLU A 47 -5.804 1.362 9.489 1.00 0.00 O ATOM 0 H GLU A 47 -0.881 -0.352 6.599 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.316 1.247 7.057 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.734 -0.281 9.074 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.201 1.351 9.509 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.381 -0.231 8.243 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.820 -0.886 9.769 1.00 0.00 H new ATOM 735 N GLY A 48 -1.840 3.278 7.704 1.00 0.00 N ATOM 736 CA GLY A 48 -1.043 4.491 7.630 1.00 0.00 C ATOM 737 C GLY A 48 -1.353 5.274 6.353 1.00 0.00 C ATOM 738 O GLY A 48 -0.923 6.416 6.201 1.00 0.00 O ATOM 0 H GLY A 48 -2.761 3.398 8.125 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.243 5.115 8.501 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.017 4.236 7.656 1.00 0.00 H new ATOM 742 N LEU A 49 -2.098 4.629 5.467 1.00 0.00 N ATOM 743 CA LEU A 49 -2.471 5.250 4.208 1.00 0.00 C ATOM 744 C LEU A 49 -3.042 6.643 4.482 1.00 0.00 C ATOM 745 O LEU A 49 -3.394 6.962 5.617 1.00 0.00 O ATOM 746 CB LEU A 49 -3.417 4.341 3.421 1.00 0.00 C ATOM 747 CG LEU A 49 -2.753 3.357 2.457 1.00 0.00 C ATOM 748 CD1 LEU A 49 -3.768 2.344 1.922 1.00 0.00 C ATOM 749 CD2 LEU A 49 -2.033 4.097 1.327 1.00 0.00 C ATOM 0 H LEU A 49 -2.453 3.682 5.597 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.594 5.383 3.574 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.018 3.773 4.131 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.103 4.969 2.853 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.998 2.797 3.008 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.270 1.656 1.239 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.196 1.784 2.753 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.562 2.870 1.392 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.570 3.374 0.656 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.751 4.700 0.771 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.265 4.745 1.748 1.00 0.00 H new ATOM 761 N PRO A 50 -3.118 7.457 3.395 1.00 0.00 N ATOM 762 CA PRO A 50 -3.641 8.808 3.507 1.00 0.00 C ATOM 763 C PRO A 50 -5.164 8.797 3.649 1.00 0.00 C ATOM 764 O PRO A 50 -5.801 7.760 3.465 1.00 0.00 O ATOM 765 CB PRO A 50 -3.167 9.518 2.250 1.00 0.00 C ATOM 766 CG PRO A 50 -2.795 8.421 1.266 1.00 0.00 C ATOM 767 CD PRO A 50 -2.711 7.113 2.036 1.00 0.00 C ATOM 0 HA PRO A 50 -3.285 9.324 4.399 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -3.951 10.158 1.844 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -2.311 10.159 2.463 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -3.540 8.350 0.474 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.841 8.644 0.788 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.367 6.357 1.605 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -1.700 6.706 2.016 1.00 0.00 H new ATOM 775 N PRO A 51 -5.719 9.993 3.982 1.00 0.00 N ATOM 776 CA PRO A 51 -7.156 10.130 4.151 1.00 0.00 C ATOM 777 C PRO A 51 -7.869 10.138 2.797 1.00 0.00 C ATOM 778 O PRO A 51 -7.576 10.972 1.942 1.00 0.00 O ATOM 779 CB PRO A 51 -7.339 11.425 4.926 1.00 0.00 C ATOM 780 CG PRO A 51 -6.041 12.198 4.759 1.00 0.00 C ATOM 781 CD PRO A 51 -4.997 11.241 4.207 1.00 0.00 C ATOM 0 HA PRO A 51 -7.598 9.292 4.691 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -8.185 11.994 4.541 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -7.542 11.225 5.978 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.183 13.040 4.082 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.715 12.608 5.715 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -4.563 11.620 3.282 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -4.176 11.102 4.911 1.00 0.00 H new ATOM 789 N GLY A 52 -8.791 9.199 2.644 1.00 0.00 N ATOM 790 CA GLY A 52 -9.547 9.087 1.409 1.00 0.00 C ATOM 791 C GLY A 52 -8.994 7.967 0.526 1.00 0.00 C ATOM 792 O GLY A 52 -9.574 7.642 -0.509 1.00 0.00 O ATOM 0 H GLY A 52 -9.031 8.509 3.355 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.595 8.891 1.637 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.509 10.033 0.869 1.00 0.00 H new ATOM 796 N ILE A 53 -7.878 7.406 0.968 1.00 0.00 N ATOM 797 CA ILE A 53 -7.239 6.329 0.231 1.00 0.00 C ATOM 798 C ILE A 53 -7.172 5.081 1.115 1.00 0.00 C ATOM 799 O ILE A 53 -6.295 4.968 1.969 1.00 0.00 O ATOM 800 CB ILE A 53 -5.877 6.778 -0.303 1.00 0.00 C ATOM 801 CG1 ILE A 53 -5.976 8.150 -0.973 1.00 0.00 C ATOM 802 CG2 ILE A 53 -5.280 5.725 -1.238 1.00 0.00 C ATOM 803 CD1 ILE A 53 -4.623 8.582 -1.540 1.00 0.00 C ATOM 0 H ILE A 53 -7.400 7.677 1.827 1.00 0.00 H new ATOM 0 HA ILE A 53 -7.829 6.067 -0.647 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.196 6.881 0.542 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.715 8.115 -1.773 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.323 8.888 -0.250 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.312 6.069 -1.603 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.151 4.788 -0.696 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.951 5.566 -2.082 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.721 9.560 -2.011 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.892 8.639 -0.733 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.290 7.855 -2.281 1.00 0.00 H new ATOM 815 N PRO A 54 -8.136 4.153 0.872 1.00 0.00 N ATOM 816 CA PRO A 54 -8.195 2.918 1.636 1.00 0.00 C ATOM 817 C PRO A 54 -7.099 1.947 1.193 1.00 0.00 C ATOM 818 O PRO A 54 -6.354 2.231 0.257 1.00 0.00 O ATOM 819 CB PRO A 54 -9.597 2.378 1.403 1.00 0.00 C ATOM 820 CG PRO A 54 -10.112 3.079 0.156 1.00 0.00 C ATOM 821 CD PRO A 54 -9.191 4.253 -0.132 1.00 0.00 C ATOM 0 HA PRO A 54 -8.014 3.072 2.700 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -9.581 1.297 1.265 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.241 2.581 2.259 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -10.129 2.391 -0.689 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -11.135 3.424 0.307 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -8.783 4.198 -1.141 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -9.723 5.201 -0.054 1.00 0.00 H new ATOM 829 N PHE A 55 -7.036 0.820 1.888 1.00 0.00 N ATOM 830 CA PHE A 55 -6.043 -0.195 1.578 1.00 0.00 C ATOM 831 C PHE A 55 -6.484 -1.047 0.387 1.00 0.00 C ATOM 832 O PHE A 55 -7.096 -2.099 0.564 1.00 0.00 O ATOM 833 CB PHE A 55 -5.919 -1.090 2.813 1.00 0.00 C ATOM 834 CG PHE A 55 -5.447 -2.513 2.505 1.00 0.00 C ATOM 835 CD1 PHE A 55 -4.620 -2.741 1.449 1.00 0.00 C ATOM 836 CD2 PHE A 55 -5.853 -3.548 3.287 1.00 0.00 C ATOM 837 CE1 PHE A 55 -4.182 -4.061 1.163 1.00 0.00 C ATOM 838 CE2 PHE A 55 -5.415 -4.868 3.001 1.00 0.00 C ATOM 839 CZ PHE A 55 -4.588 -5.097 1.945 1.00 0.00 C ATOM 0 H PHE A 55 -7.656 0.588 2.664 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.095 0.277 1.321 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -5.222 -0.630 3.514 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.887 -1.139 3.312 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.297 -1.918 0.829 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -6.509 -3.366 4.126 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.526 -4.242 0.324 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.738 -5.690 3.622 1.00 0.00 H new ATOM 0 HZ PHE A 55 -4.254 -6.101 1.728 1.00 0.00 H new ATOM 849 N ARG A 56 -6.156 -0.561 -0.801 1.00 0.00 N ATOM 850 CA ARG A 56 -6.510 -1.266 -2.022 1.00 0.00 C ATOM 851 C ARG A 56 -5.431 -1.059 -3.086 1.00 0.00 C ATOM 852 O ARG A 56 -4.438 -0.375 -2.844 1.00 0.00 O ATOM 853 CB ARG A 56 -7.854 -0.779 -2.568 1.00 0.00 C ATOM 854 CG ARG A 56 -9.003 -1.194 -1.646 1.00 0.00 C ATOM 855 CD ARG A 56 -9.464 -2.620 -1.953 1.00 0.00 C ATOM 856 NE ARG A 56 -10.858 -2.812 -1.492 1.00 0.00 N ATOM 857 CZ ARG A 56 -11.560 -3.939 -1.669 1.00 0.00 C ATOM 858 NH1 ARG A 56 -11.003 -4.983 -2.299 1.00 0.00 N ATOM 859 NH2 ARG A 56 -12.818 -4.023 -1.217 1.00 0.00 N ATOM 0 H ARG A 56 -5.649 0.312 -0.944 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.590 -2.326 -1.782 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.838 0.306 -2.669 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.016 -1.190 -3.565 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.682 -1.128 -0.606 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.838 -0.504 -1.766 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.397 -2.810 -3.024 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.807 -3.337 -1.461 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.312 -2.037 -1.009 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.045 -4.919 -2.643 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.537 -5.841 -2.434 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -13.242 -3.229 -0.738 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -13.352 -4.881 -1.352 1.00 0.00 H new ATOM 873 N LYS A 57 -5.662 -1.663 -4.243 1.00 0.00 N ATOM 874 CA LYS A 57 -4.721 -1.555 -5.345 1.00 0.00 C ATOM 875 C LYS A 57 -4.683 -0.106 -5.836 1.00 0.00 C ATOM 876 O LYS A 57 -5.682 0.607 -5.754 1.00 0.00 O ATOM 877 CB LYS A 57 -5.060 -2.567 -6.441 1.00 0.00 C ATOM 878 CG LYS A 57 -4.144 -3.789 -6.361 1.00 0.00 C ATOM 879 CD LYS A 57 -4.409 -4.750 -7.522 1.00 0.00 C ATOM 880 CE LYS A 57 -3.260 -4.721 -8.532 1.00 0.00 C ATOM 881 NZ LYS A 57 -3.288 -5.930 -9.384 1.00 0.00 N ATOM 0 H LYS A 57 -6.487 -2.229 -4.441 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.714 -1.807 -5.012 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.099 -2.880 -6.343 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.960 -2.096 -7.419 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.102 -3.469 -6.380 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.302 -4.305 -5.414 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.535 -5.763 -7.139 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.341 -4.478 -8.018 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.337 -3.829 -9.154 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.307 -4.662 -8.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.502 -5.894 -10.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.192 -6.777 -8.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.190 -5.970 -9.900 1.00 0.00 H new ATOM 895 N PRO A 58 -3.490 0.296 -6.350 1.00 0.00 N ATOM 896 CA PRO A 58 -3.309 1.646 -6.854 1.00 0.00 C ATOM 897 C PRO A 58 -3.991 1.820 -8.213 1.00 0.00 C ATOM 898 O PRO A 58 -4.189 2.944 -8.673 1.00 0.00 O ATOM 899 CB PRO A 58 -1.803 1.844 -6.916 1.00 0.00 C ATOM 900 CG PRO A 58 -1.198 0.450 -6.889 1.00 0.00 C ATOM 901 CD PRO A 58 -2.286 -0.522 -6.463 1.00 0.00 C ATOM 0 HA PRO A 58 -3.771 2.399 -6.215 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.516 2.377 -7.823 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.452 2.438 -6.072 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.811 0.183 -7.872 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -0.359 0.412 -6.195 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.415 -1.318 -7.196 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -2.041 -1.000 -5.514 1.00 0.00 H new ATOM 909 N CYS A 59 -4.332 0.691 -8.817 1.00 0.00 N ATOM 910 CA CYS A 59 -4.988 0.705 -10.113 1.00 0.00 C ATOM 911 C CYS A 59 -6.327 1.431 -9.967 1.00 0.00 C ATOM 912 O CYS A 59 -6.749 2.149 -10.871 1.00 0.00 O ATOM 913 CB CYS A 59 -5.163 -0.708 -10.673 1.00 0.00 C ATOM 914 SG CYS A 59 -3.540 -1.390 -11.173 1.00 0.00 S ATOM 0 H CYS A 59 -4.166 -0.239 -8.433 1.00 0.00 H new ATOM 0 HA CYS A 59 -4.365 1.236 -10.833 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.621 -1.351 -9.922 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -5.837 -0.688 -11.529 1.00 0.00 H new ATOM 0 HG CYS A 59 -3.701 -2.591 -11.645 1.00 0.00 H new ATOM 920 N THR A 60 -6.957 1.218 -8.821 1.00 0.00 N ATOM 921 CA THR A 60 -8.239 1.843 -8.544 1.00 0.00 C ATOM 922 C THR A 60 -8.039 3.288 -8.084 1.00 0.00 C ATOM 923 O THR A 60 -9.007 4.025 -7.901 1.00 0.00 O ATOM 924 CB THR A 60 -8.977 0.976 -7.521 1.00 0.00 C ATOM 925 OG1 THR A 60 -8.120 0.979 -6.382 1.00 0.00 O ATOM 926 CG2 THR A 60 -9.040 -0.495 -7.937 1.00 0.00 C ATOM 0 H THR A 60 -6.603 0.621 -8.073 1.00 0.00 H new ATOM 0 HA THR A 60 -8.852 1.903 -9.443 1.00 0.00 H new ATOM 0 HB THR A 60 -9.989 1.357 -7.384 1.00 0.00 H new ATOM 0 HG1 THR A 60 -7.337 0.417 -6.560 1.00 0.00 H new ATOM 0 HG21 THR A 60 -9.574 -1.066 -7.177 1.00 0.00 H new ATOM 0 HG22 THR A 60 -9.563 -0.582 -8.889 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.028 -0.887 -8.041 1.00 0.00 H new ATOM 934 N PHE A 61 -6.777 3.651 -7.911 1.00 0.00 N ATOM 935 CA PHE A 61 -6.438 4.996 -7.476 1.00 0.00 C ATOM 936 C PHE A 61 -5.920 5.836 -8.645 1.00 0.00 C ATOM 937 O PHE A 61 -5.204 5.331 -9.508 1.00 0.00 O ATOM 938 CB PHE A 61 -5.330 4.861 -6.430 1.00 0.00 C ATOM 939 CG PHE A 61 -5.719 4.015 -5.216 1.00 0.00 C ATOM 940 CD1 PHE A 61 -7.028 3.744 -4.967 1.00 0.00 C ATOM 941 CD2 PHE A 61 -4.755 3.532 -4.386 1.00 0.00 C ATOM 942 CE1 PHE A 61 -7.389 2.959 -3.841 1.00 0.00 C ATOM 943 CE2 PHE A 61 -5.116 2.746 -3.260 1.00 0.00 C ATOM 944 CZ PHE A 61 -6.426 2.476 -3.011 1.00 0.00 C ATOM 0 H PHE A 61 -5.977 3.038 -8.064 1.00 0.00 H new ATOM 0 HA PHE A 61 -7.321 5.490 -7.072 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.452 4.419 -6.901 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -5.043 5.856 -6.090 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -7.793 4.126 -5.626 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.715 3.747 -4.584 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -8.429 2.745 -3.643 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.351 2.363 -2.601 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.701 1.878 -2.155 1.00 0.00 H new ATOM 954 N GLY A 62 -6.303 7.104 -8.635 1.00 0.00 N ATOM 955 CA GLY A 62 -5.886 8.020 -9.684 1.00 0.00 C ATOM 956 C GLY A 62 -4.545 8.672 -9.342 1.00 0.00 C ATOM 957 O GLY A 62 -4.083 8.591 -8.205 1.00 0.00 O ATOM 0 H GLY A 62 -6.897 7.519 -7.918 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.803 7.483 -10.629 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.644 8.791 -9.821 1.00 0.00 H new ATOM 961 N SER A 63 -3.957 9.304 -10.347 1.00 0.00 N ATOM 962 CA SER A 63 -2.678 9.969 -10.167 1.00 0.00 C ATOM 963 C SER A 63 -2.699 10.804 -8.885 1.00 0.00 C ATOM 964 O SER A 63 -1.709 10.853 -8.157 1.00 0.00 O ATOM 965 CB SER A 63 -2.343 10.853 -11.370 1.00 0.00 C ATOM 966 OG SER A 63 -3.465 11.619 -11.799 1.00 0.00 O ATOM 0 H SER A 63 -4.343 9.370 -11.289 1.00 0.00 H new ATOM 0 HA SER A 63 -1.904 9.206 -10.084 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.524 11.524 -11.110 1.00 0.00 H new ATOM 0 HB3 SER A 63 -1.994 10.229 -12.193 1.00 0.00 H new ATOM 0 HG SER A 63 -3.210 12.171 -12.567 1.00 0.00 H new ATOM 972 N GLN A 64 -3.837 11.439 -8.648 1.00 0.00 N ATOM 973 CA GLN A 64 -3.999 12.269 -7.467 1.00 0.00 C ATOM 974 C GLN A 64 -3.800 11.434 -6.200 1.00 0.00 C ATOM 975 O GLN A 64 -2.911 11.717 -5.398 1.00 0.00 O ATOM 976 CB GLN A 64 -5.367 12.955 -7.462 1.00 0.00 C ATOM 977 CG GLN A 64 -5.228 14.452 -7.179 1.00 0.00 C ATOM 978 CD GLN A 64 -5.514 15.276 -8.435 1.00 0.00 C ATOM 979 OE1 GLN A 64 -4.880 15.125 -9.466 1.00 0.00 O ATOM 980 NE2 GLN A 64 -6.502 16.155 -8.292 1.00 0.00 N ATOM 0 H GLN A 64 -4.656 11.395 -9.254 1.00 0.00 H new ATOM 0 HA GLN A 64 -3.238 13.049 -7.488 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.856 12.807 -8.425 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.005 12.496 -6.707 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -5.917 14.741 -6.385 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.221 14.666 -6.821 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -6.992 16.231 -7.401 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -6.769 16.753 -9.074 1.00 0.00 H new ATOM 989 N ASN A 65 -4.642 10.420 -6.059 1.00 0.00 N ATOM 990 CA ASN A 65 -4.570 9.542 -4.904 1.00 0.00 C ATOM 991 C ASN A 65 -3.136 9.034 -4.744 1.00 0.00 C ATOM 992 O ASN A 65 -2.595 9.030 -3.639 1.00 0.00 O ATOM 993 CB ASN A 65 -5.485 8.328 -5.077 1.00 0.00 C ATOM 994 CG ASN A 65 -6.846 8.569 -4.421 1.00 0.00 C ATOM 995 OD1 ASN A 65 -7.001 9.399 -3.541 1.00 0.00 O ATOM 996 ND2 ASN A 65 -7.820 7.799 -4.898 1.00 0.00 N ATOM 0 H ASN A 65 -5.378 10.187 -6.726 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.886 10.110 -4.029 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -5.621 8.119 -6.138 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -5.016 7.449 -4.636 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.766 7.884 -4.526 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.621 7.124 -5.636 1.00 0.00 H new ATOM 1003 N LEU A 66 -2.560 8.619 -5.862 1.00 0.00 N ATOM 1004 CA LEU A 66 -1.199 8.110 -5.860 1.00 0.00 C ATOM 1005 C LEU A 66 -0.267 9.163 -5.256 1.00 0.00 C ATOM 1006 O LEU A 66 0.372 8.918 -4.234 1.00 0.00 O ATOM 1007 CB LEU A 66 -0.792 7.662 -7.265 1.00 0.00 C ATOM 1008 CG LEU A 66 -1.670 6.585 -7.906 1.00 0.00 C ATOM 1009 CD1 LEU A 66 -1.330 6.411 -9.388 1.00 0.00 C ATOM 1010 CD2 LEU A 66 -1.570 5.266 -7.136 1.00 0.00 C ATOM 0 H LEU A 66 -3.011 8.625 -6.777 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.126 7.221 -5.234 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.789 8.536 -7.917 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.232 7.291 -7.224 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.708 6.912 -7.850 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.968 5.640 -9.820 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.494 7.353 -9.912 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.286 6.116 -9.490 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.203 4.518 -7.612 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.536 4.921 -7.138 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.899 5.419 -6.108 1.00 0.00 H new ATOM 1022 N GLU A 67 -0.220 10.312 -5.914 1.00 0.00 N ATOM 1023 CA GLU A 67 0.623 11.402 -5.455 1.00 0.00 C ATOM 1024 C GLU A 67 0.629 11.461 -3.926 1.00 0.00 C ATOM 1025 O GLU A 67 1.632 11.837 -3.319 1.00 0.00 O ATOM 1026 CB GLU A 67 0.170 12.735 -6.053 1.00 0.00 C ATOM 1027 CG GLU A 67 1.134 13.203 -7.145 1.00 0.00 C ATOM 1028 CD GLU A 67 1.392 14.707 -7.042 1.00 0.00 C ATOM 1029 OE1 GLU A 67 2.022 15.108 -6.040 1.00 0.00 O ATOM 1030 OE2 GLU A 67 0.953 15.423 -7.968 1.00 0.00 O ATOM 0 H GLU A 67 -0.752 10.511 -6.761 1.00 0.00 H new ATOM 0 HA GLU A 67 1.641 11.216 -5.796 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.832 12.629 -6.469 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.111 13.489 -5.268 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.076 12.662 -7.059 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.720 12.968 -8.126 1.00 0.00 H new ATOM 1037 N ARG A 68 -0.501 11.084 -3.346 1.00 0.00 N ATOM 1038 CA ARG A 68 -0.639 11.090 -1.900 1.00 0.00 C ATOM 1039 C ARG A 68 0.058 9.869 -1.296 1.00 0.00 C ATOM 1040 O ARG A 68 0.915 10.006 -0.424 1.00 0.00 O ATOM 1041 CB ARG A 68 -2.112 11.084 -1.487 1.00 0.00 C ATOM 1042 CG ARG A 68 -2.878 12.217 -2.173 1.00 0.00 C ATOM 1043 CD ARG A 68 -4.374 12.131 -1.865 1.00 0.00 C ATOM 1044 NE ARG A 68 -5.031 13.418 -2.186 1.00 0.00 N ATOM 1045 CZ ARG A 68 -4.917 14.526 -1.440 1.00 0.00 C ATOM 1046 NH1 ARG A 68 -4.172 14.511 -0.327 1.00 0.00 N ATOM 1047 NH2 ARG A 68 -5.549 15.649 -1.808 1.00 0.00 N ATOM 0 H ARG A 68 -1.330 10.772 -3.852 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.173 12.001 -1.526 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.562 10.126 -1.747 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.191 11.190 -0.405 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.489 13.179 -1.839 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.721 12.167 -3.250 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.828 11.327 -2.445 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.524 11.889 -0.813 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.606 13.465 -3.027 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.691 13.656 -0.047 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.086 15.354 0.240 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.117 15.660 -2.655 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.463 16.492 -1.241 1.00 0.00 H new ATOM 1061 N ILE A 69 -0.336 8.701 -1.784 1.00 0.00 N ATOM 1062 CA ILE A 69 0.240 7.457 -1.303 1.00 0.00 C ATOM 1063 C ILE A 69 1.759 7.609 -1.201 1.00 0.00 C ATOM 1064 O ILE A 69 2.321 7.541 -0.108 1.00 0.00 O ATOM 1065 CB ILE A 69 -0.203 6.286 -2.183 1.00 0.00 C ATOM 1066 CG1 ILE A 69 -1.640 5.871 -1.861 1.00 0.00 C ATOM 1067 CG2 ILE A 69 0.772 5.113 -2.067 1.00 0.00 C ATOM 1068 CD1 ILE A 69 -2.323 5.263 -3.087 1.00 0.00 C ATOM 0 H ILE A 69 -1.047 8.591 -2.507 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.126 7.230 -0.302 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.188 6.615 -3.222 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.639 5.148 -1.045 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.205 6.738 -1.518 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.434 4.294 -2.702 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.765 5.432 -2.384 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.813 4.775 -1.031 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.343 4.977 -2.831 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.344 5.996 -3.893 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.770 4.382 -3.412 1.00 0.00 H new ATOM 1080 N LEU A 70 2.380 7.811 -2.353 1.00 0.00 N ATOM 1081 CA LEU A 70 3.823 7.973 -2.407 1.00 0.00 C ATOM 1082 C LEU A 70 4.259 8.983 -1.343 1.00 0.00 C ATOM 1083 O LEU A 70 5.382 8.922 -0.846 1.00 0.00 O ATOM 1084 CB LEU A 70 4.269 8.342 -3.824 1.00 0.00 C ATOM 1085 CG LEU A 70 3.837 7.381 -4.933 1.00 0.00 C ATOM 1086 CD1 LEU A 70 4.123 7.974 -6.314 1.00 0.00 C ATOM 1087 CD2 LEU A 70 4.487 6.008 -4.753 1.00 0.00 C ATOM 0 H LEU A 70 1.910 7.866 -3.257 1.00 0.00 H new ATOM 0 HA LEU A 70 4.320 7.031 -2.176 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.883 9.334 -4.059 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.357 8.413 -3.835 1.00 0.00 H new ATOM 0 HG LEU A 70 2.759 7.238 -4.861 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.807 7.271 -7.085 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.575 8.909 -6.429 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.191 8.165 -6.414 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.163 5.344 -5.555 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.572 6.112 -4.784 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.190 5.588 -3.792 1.00 0.00 H new ATOM 1099 N ALA A 71 3.346 9.890 -1.025 1.00 0.00 N ATOM 1100 CA ALA A 71 3.622 10.912 -0.030 1.00 0.00 C ATOM 1101 C ALA A 71 3.722 10.259 1.350 1.00 0.00 C ATOM 1102 O ALA A 71 4.729 10.410 2.041 1.00 0.00 O ATOM 1103 CB ALA A 71 2.536 11.989 -0.089 1.00 0.00 C ATOM 0 H ALA A 71 2.415 9.938 -1.439 1.00 0.00 H new ATOM 0 HA ALA A 71 4.575 11.400 -0.234 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.743 12.756 0.658 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.526 12.441 -1.081 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.565 11.538 0.114 1.00 0.00 H new ATOM 1109 N VAL A 72 2.663 9.549 1.712 1.00 0.00 N ATOM 1110 CA VAL A 72 2.619 8.873 2.997 1.00 0.00 C ATOM 1111 C VAL A 72 3.198 7.465 2.848 1.00 0.00 C ATOM 1112 O VAL A 72 2.964 6.601 3.692 1.00 0.00 O ATOM 1113 CB VAL A 72 1.189 8.877 3.541 1.00 0.00 C ATOM 1114 CG1 VAL A 72 0.714 10.303 3.825 1.00 0.00 C ATOM 1115 CG2 VAL A 72 0.235 8.162 2.582 1.00 0.00 C ATOM 0 H VAL A 72 1.829 9.428 1.137 1.00 0.00 H new ATOM 0 HA VAL A 72 3.232 9.401 3.728 1.00 0.00 H new ATOM 0 HB VAL A 72 1.188 8.330 4.484 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.305 10.277 4.211 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.370 10.765 4.563 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.739 10.885 2.904 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -0.774 8.179 2.993 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.243 8.668 1.617 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.556 7.129 2.452 1.00 0.00 H new ATOM 1125 N ALA A 73 3.943 7.277 1.768 1.00 0.00 N ATOM 1126 CA ALA A 73 4.557 5.988 1.498 1.00 0.00 C ATOM 1127 C ALA A 73 5.256 5.485 2.763 1.00 0.00 C ATOM 1128 O ALA A 73 5.387 4.279 2.966 1.00 0.00 O ATOM 1129 CB ALA A 73 5.518 6.118 0.314 1.00 0.00 C ATOM 0 H ALA A 73 4.135 7.996 1.070 1.00 0.00 H new ATOM 0 HA ALA A 73 3.800 5.253 1.225 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.979 5.151 0.111 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.968 6.449 -0.567 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.293 6.846 0.553 1.00 0.00 H new ATOM 1135 N ASP A 74 5.685 6.436 3.581 1.00 0.00 N ATOM 1136 CA ASP A 74 6.367 6.104 4.820 1.00 0.00 C ATOM 1137 C ASP A 74 5.342 5.614 5.846 1.00 0.00 C ATOM 1138 O ASP A 74 5.597 4.657 6.574 1.00 0.00 O ATOM 1139 CB ASP A 74 7.072 7.329 5.405 1.00 0.00 C ATOM 1140 CG ASP A 74 8.578 7.167 5.622 1.00 0.00 C ATOM 1141 OD1 ASP A 74 9.306 7.218 4.607 1.00 0.00 O ATOM 1142 OD2 ASP A 74 8.967 6.994 6.797 1.00 0.00 O ATOM 0 H ASP A 74 5.573 7.435 3.410 1.00 0.00 H new ATOM 0 HA ASP A 74 7.105 5.332 4.603 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.905 8.177 4.741 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.607 7.575 6.360 1.00 0.00 H new ATOM 1147 N LYS A 75 4.205 6.293 5.869 1.00 0.00 N ATOM 1148 CA LYS A 75 3.141 5.939 6.793 1.00 0.00 C ATOM 1149 C LYS A 75 2.663 4.517 6.493 1.00 0.00 C ATOM 1150 O LYS A 75 2.575 3.684 7.394 1.00 0.00 O ATOM 1151 CB LYS A 75 2.024 6.984 6.751 1.00 0.00 C ATOM 1152 CG LYS A 75 2.594 8.400 6.862 1.00 0.00 C ATOM 1153 CD LYS A 75 2.044 9.116 8.097 1.00 0.00 C ATOM 1154 CE LYS A 75 2.221 10.631 7.977 1.00 0.00 C ATOM 1155 NZ LYS A 75 2.087 11.276 9.302 1.00 0.00 N ATOM 0 H LYS A 75 3.997 7.086 5.263 1.00 0.00 H new ATOM 0 HA LYS A 75 3.511 5.942 7.818 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.464 6.885 5.821 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.323 6.805 7.566 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.682 8.355 6.917 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.344 8.968 5.966 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.987 8.878 8.219 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.557 8.756 8.989 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.200 10.856 7.554 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.477 11.037 7.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.210 12.304 9.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.144 11.076 9.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.813 10.902 9.945 1.00 0.00 H new ATOM 1169 N ILE A 76 2.368 4.281 5.223 1.00 0.00 N ATOM 1170 CA ILE A 76 1.901 2.974 4.793 1.00 0.00 C ATOM 1171 C ILE A 76 2.708 1.889 5.509 1.00 0.00 C ATOM 1172 O ILE A 76 3.932 1.844 5.396 1.00 0.00 O ATOM 1173 CB ILE A 76 1.943 2.866 3.267 1.00 0.00 C ATOM 1174 CG1 ILE A 76 0.867 3.745 2.626 1.00 0.00 C ATOM 1175 CG2 ILE A 76 1.834 1.407 2.818 1.00 0.00 C ATOM 1176 CD1 ILE A 76 1.255 4.132 1.197 1.00 0.00 C ATOM 0 H ILE A 76 2.443 4.973 4.478 1.00 0.00 H new ATOM 0 HA ILE A 76 0.857 2.831 5.071 1.00 0.00 H new ATOM 0 HB ILE A 76 2.909 3.237 2.924 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.084 3.213 2.617 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.723 4.645 3.224 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.866 1.358 1.730 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.665 0.836 3.232 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.893 0.987 3.172 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.473 4.757 0.764 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.194 4.685 1.212 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.374 3.231 0.596 1.00 0.00 H new ATOM 1188 N LYS A 77 1.990 1.041 6.229 1.00 0.00 N ATOM 1189 CA LYS A 77 2.623 -0.041 6.963 1.00 0.00 C ATOM 1190 C LYS A 77 1.905 -1.355 6.648 1.00 0.00 C ATOM 1191 O LYS A 77 0.708 -1.487 6.898 1.00 0.00 O ATOM 1192 CB LYS A 77 2.681 0.285 8.457 1.00 0.00 C ATOM 1193 CG LYS A 77 3.301 -0.868 9.247 1.00 0.00 C ATOM 1194 CD LYS A 77 3.309 -0.564 10.747 1.00 0.00 C ATOM 1195 CE LYS A 77 3.232 -1.852 11.568 1.00 0.00 C ATOM 1196 NZ LYS A 77 1.828 -2.152 11.930 1.00 0.00 N ATOM 0 H LYS A 77 0.975 1.081 6.320 1.00 0.00 H new ATOM 0 HA LYS A 77 3.659 -0.159 6.646 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.265 1.192 8.612 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.676 0.486 8.828 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.740 -1.784 9.061 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.320 -1.043 8.902 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.216 -0.017 11.006 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.466 0.081 10.995 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.652 -2.680 10.997 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.833 -1.751 12.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.793 -3.029 12.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.440 -1.369 12.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.264 -2.269 11.064 1.00 0.00 H new ATOM 1210 N PHE A 78 2.666 -2.293 6.105 1.00 0.00 N ATOM 1211 CA PHE A 78 2.117 -3.592 5.753 1.00 0.00 C ATOM 1212 C PHE A 78 2.279 -4.586 6.905 1.00 0.00 C ATOM 1213 O PHE A 78 3.202 -4.465 7.708 1.00 0.00 O ATOM 1214 CB PHE A 78 2.905 -4.098 4.543 1.00 0.00 C ATOM 1215 CG PHE A 78 2.396 -3.566 3.202 1.00 0.00 C ATOM 1216 CD1 PHE A 78 2.180 -2.233 3.037 1.00 0.00 C ATOM 1217 CD2 PHE A 78 2.160 -4.425 2.175 1.00 0.00 C ATOM 1218 CE1 PHE A 78 1.708 -1.739 1.792 1.00 0.00 C ATOM 1219 CE2 PHE A 78 1.687 -3.931 0.930 1.00 0.00 C ATOM 1220 CZ PHE A 78 1.472 -2.598 0.765 1.00 0.00 C ATOM 0 H PHE A 78 3.659 -2.180 5.900 1.00 0.00 H new ATOM 0 HA PHE A 78 1.053 -3.500 5.535 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.951 -3.816 4.660 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.868 -5.187 4.528 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.367 -1.550 3.853 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.332 -5.483 2.306 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.537 -0.681 1.661 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.498 -4.614 0.115 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.114 -2.222 -0.182 1.00 0.00 H new ATOM 1230 N THR A 79 1.367 -5.546 6.948 1.00 0.00 N ATOM 1231 CA THR A 79 1.397 -6.560 7.988 1.00 0.00 C ATOM 1232 C THR A 79 1.379 -7.959 7.369 1.00 0.00 C ATOM 1233 O THR A 79 0.506 -8.274 6.562 1.00 0.00 O ATOM 1234 CB THR A 79 0.225 -6.300 8.936 1.00 0.00 C ATOM 1235 OG1 THR A 79 0.435 -4.966 9.391 1.00 0.00 O ATOM 1236 CG2 THR A 79 0.303 -7.145 10.210 1.00 0.00 C ATOM 0 H THR A 79 0.603 -5.643 6.279 1.00 0.00 H new ATOM 0 HA THR A 79 2.319 -6.506 8.566 1.00 0.00 H new ATOM 0 HB THR A 79 -0.712 -6.508 8.419 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.282 -4.715 10.010 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.552 -6.922 10.848 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.293 -8.203 9.946 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.224 -6.913 10.744 1.00 0.00 H new ATOM 1244 N VAL A 80 2.354 -8.762 7.771 1.00 0.00 N ATOM 1245 CA VAL A 80 2.462 -10.120 7.266 1.00 0.00 C ATOM 1246 C VAL A 80 2.250 -11.105 8.417 1.00 0.00 C ATOM 1247 O VAL A 80 3.153 -11.330 9.221 1.00 0.00 O ATOM 1248 CB VAL A 80 3.804 -10.309 6.556 1.00 0.00 C ATOM 1249 CG1 VAL A 80 4.081 -11.791 6.294 1.00 0.00 C ATOM 1250 CG2 VAL A 80 3.856 -9.503 5.257 1.00 0.00 C ATOM 0 H VAL A 80 3.076 -8.498 8.441 1.00 0.00 H new ATOM 0 HA VAL A 80 1.687 -10.315 6.524 1.00 0.00 H new ATOM 0 HB VAL A 80 4.587 -9.933 7.214 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.041 -11.898 5.788 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.108 -12.329 7.242 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.292 -12.203 5.665 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.821 -9.655 4.773 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.059 -9.834 4.591 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.725 -8.444 5.480 1.00 0.00 H new