USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 689 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 38 GLN : amide:sc= 0.667 K(o=2.6,f=-0.23) USER MOD Set 1.2: A 47 SER OG : rot -97:sc= 1.92 USER MOD Set 2.1: A 29 LYS NZ :NH3+ 163:sc= -0.189 (180deg=-0.612) USER MOD Set 2.2: A 74 CYS SG : rot -23:sc= -0.247 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl -130:sc= -5.43! (180deg=-13.3!) USER MOD Single : A 11 SER OG : rot -86:sc= 1.34 USER MOD Single : A 12 TYR OH : rot 180:sc= 0.083 USER MOD Single : A 15 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.973) USER MOD Single : A 17 GLN : amide:sc= 0.832 K(o=0.83,f=-0.55) USER MOD Single : A 19 SER OG : rot -19:sc= 2.06 USER MOD Single : A 23 ASN : amide:sc= -1.33 K(o=-1.3,f=-5.3!) USER MOD Single : A 24 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00755) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot -25:sc= 0.984 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.319 X(o=-0.32,f=-0.22) USER MOD Single : A 48 ASN : amide:sc= -1.13 K(o=-1.1,f=-7.7!) USER MOD Single : A 58 THR OG1 : rot -26:sc= -1.01! USER MOD Single : A 60 LYS NZ :NH3+ -178:sc= -1.14 (180deg=-1.15) USER MOD Single : A 62 SER OG : rot 150:sc= -1.17 USER MOD Single : A 63 THR OG1 : rot 170:sc= 0.912 USER MOD Single : A 70 TYR OH : rot -29:sc= 0.902 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.178 USER MOD Single : A 73 SER OG : rot -54:sc= 1.26 USER MOD Single : B 203 THR OG1 : rot 180:sc= 0.034 USER MOD Single : B 208 LYS NZ :NH3+ 161:sc= 1.3 (180deg=1.14) USER MOD Single : B 210 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0315) USER MOD Single : B 211 TYR OH : rot 110:sc= 0.166 USER MOD ----------------------------------------------------------------- ATOM 104 N LYS A 8 -14.733 5.860 -3.444 1.00 0.00 N ATOM 105 CA LYS A 8 -14.562 5.665 -4.863 1.00 0.00 C ATOM 106 C LYS A 8 -13.449 4.652 -5.132 1.00 0.00 C ATOM 107 O LYS A 8 -12.433 4.625 -4.437 1.00 0.00 O ATOM 108 CB LYS A 8 -14.262 7.015 -5.516 1.00 0.00 C ATOM 109 CG LYS A 8 -13.529 6.932 -6.837 1.00 0.00 C ATOM 110 CD LYS A 8 -13.559 8.263 -7.560 1.00 0.00 C ATOM 111 CE LYS A 8 -12.940 8.168 -8.944 1.00 0.00 C ATOM 112 NZ LYS A 8 -13.117 9.428 -9.715 1.00 0.00 N ATOM 0 HA LYS A 8 -15.477 5.261 -5.296 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -15.202 7.545 -5.671 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.669 7.613 -4.824 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -12.496 6.631 -6.665 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -13.985 6.164 -7.462 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -14.590 8.607 -7.646 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.022 9.008 -6.972 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -11.877 7.944 -8.852 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -13.394 7.341 -9.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.682 9.325 -10.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -14.132 9.629 -9.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -12.662 10.213 -9.207 1.00 0.00 H new ATOM 126 N PRO A 9 -13.651 3.796 -6.140 1.00 0.00 N ATOM 127 CA PRO A 9 -12.675 2.774 -6.537 1.00 0.00 C ATOM 128 C PRO A 9 -11.370 3.388 -7.026 1.00 0.00 C ATOM 129 O PRO A 9 -11.369 4.379 -7.761 1.00 0.00 O ATOM 130 CB PRO A 9 -13.376 2.024 -7.675 1.00 0.00 C ATOM 131 CG PRO A 9 -14.431 2.959 -8.168 1.00 0.00 C ATOM 132 CD PRO A 9 -14.857 3.769 -6.977 1.00 0.00 C ATOM 0 HA PRO A 9 -12.396 2.132 -5.702 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.674 1.768 -8.469 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.812 1.090 -7.321 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -14.044 3.602 -8.959 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.274 2.410 -8.588 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -15.170 4.773 -7.264 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -15.698 3.309 -6.457 1.00 0.00 H new ATOM 140 N MET A 10 -10.262 2.801 -6.601 1.00 0.00 N ATOM 141 CA MET A 10 -8.946 3.286 -6.970 1.00 0.00 C ATOM 142 C MET A 10 -8.601 2.838 -8.387 1.00 0.00 C ATOM 143 O MET A 10 -8.490 1.639 -8.654 1.00 0.00 O ATOM 144 CB MET A 10 -7.893 2.786 -5.980 1.00 0.00 C ATOM 145 CG MET A 10 -6.556 3.483 -6.142 1.00 0.00 C ATOM 146 SD MET A 10 -6.544 5.161 -5.493 1.00 0.00 S ATOM 147 CE MET A 10 -5.984 4.890 -3.819 1.00 0.00 C ATOM 0 H MET A 10 -10.251 1.981 -5.995 1.00 0.00 H new ATOM 0 HA MET A 10 -8.954 4.376 -6.939 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.256 2.938 -4.963 1.00 0.00 H new ATOM 0 HB3 MET A 10 -7.757 1.713 -6.113 1.00 0.00 H new ATOM 0 HG2 MET A 10 -5.787 2.900 -5.636 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.293 3.508 -7.200 1.00 0.00 H new ATOM 0 HE1 MET A 10 -6.654 5.398 -3.125 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.981 3.821 -3.605 1.00 0.00 H new ATOM 0 HE3 MET A 10 -4.975 5.285 -3.704 1.00 0.00 H new ATOM 157 N SER A 11 -8.446 3.798 -9.292 1.00 0.00 N ATOM 158 CA SER A 11 -8.186 3.494 -10.698 1.00 0.00 C ATOM 159 C SER A 11 -6.749 3.017 -10.898 1.00 0.00 C ATOM 160 O SER A 11 -5.949 3.049 -9.965 1.00 0.00 O ATOM 161 CB SER A 11 -8.458 4.729 -11.565 1.00 0.00 C ATOM 162 OG SER A 11 -7.640 5.817 -11.169 1.00 0.00 O ATOM 0 H SER A 11 -8.496 4.794 -9.079 1.00 0.00 H new ATOM 0 HA SER A 11 -8.857 2.691 -11.002 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.271 4.491 -12.612 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.508 5.010 -11.484 1.00 0.00 H new ATOM 0 HG SER A 11 -8.072 6.300 -10.434 1.00 0.00 H new ATOM 168 N TYR A 12 -6.423 2.593 -12.118 1.00 0.00 N ATOM 169 CA TYR A 12 -5.097 2.052 -12.417 1.00 0.00 C ATOM 170 C TYR A 12 -3.985 3.037 -12.067 1.00 0.00 C ATOM 171 O TYR A 12 -3.099 2.716 -11.273 1.00 0.00 O ATOM 172 CB TYR A 12 -4.989 1.648 -13.894 1.00 0.00 C ATOM 173 CG TYR A 12 -3.556 1.540 -14.384 1.00 0.00 C ATOM 174 CD1 TYR A 12 -2.604 0.825 -13.664 1.00 0.00 C ATOM 175 CD2 TYR A 12 -3.150 2.183 -15.546 1.00 0.00 C ATOM 176 CE1 TYR A 12 -1.294 0.757 -14.084 1.00 0.00 C ATOM 177 CE2 TYR A 12 -1.840 2.111 -15.978 1.00 0.00 C ATOM 178 CZ TYR A 12 -0.916 1.399 -15.243 1.00 0.00 C ATOM 179 OH TYR A 12 0.392 1.340 -15.661 1.00 0.00 O ATOM 0 H TYR A 12 -7.058 2.613 -12.916 1.00 0.00 H new ATOM 0 HA TYR A 12 -4.971 1.166 -11.795 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -5.488 0.690 -14.039 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -5.520 2.379 -14.503 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.898 0.314 -12.759 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -3.869 2.748 -16.120 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -0.567 0.204 -13.508 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.541 2.610 -16.888 1.00 0.00 H new ATOM 0 HH TYR A 12 0.492 1.844 -16.496 1.00 0.00 H new ATOM 189 N GLU A 13 -4.025 4.221 -12.655 1.00 0.00 N ATOM 190 CA GLU A 13 -2.964 5.198 -12.455 1.00 0.00 C ATOM 191 C GLU A 13 -2.861 5.609 -10.991 1.00 0.00 C ATOM 192 O GLU A 13 -1.811 6.071 -10.537 1.00 0.00 O ATOM 193 CB GLU A 13 -3.187 6.413 -13.349 1.00 0.00 C ATOM 194 CG GLU A 13 -3.030 6.085 -14.824 1.00 0.00 C ATOM 195 CD GLU A 13 -3.387 7.243 -15.725 1.00 0.00 C ATOM 196 OE1 GLU A 13 -2.494 8.060 -16.029 1.00 0.00 O ATOM 197 OE2 GLU A 13 -4.559 7.335 -16.142 1.00 0.00 O ATOM 0 H GLU A 13 -4.776 4.529 -13.272 1.00 0.00 H new ATOM 0 HA GLU A 13 -2.017 4.734 -12.733 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.186 6.811 -13.173 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.479 7.196 -13.077 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.000 5.786 -15.017 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.662 5.231 -15.070 1.00 0.00 H new ATOM 204 N GLU A 14 -3.936 5.399 -10.250 1.00 0.00 N ATOM 205 CA GLU A 14 -3.930 5.668 -8.829 1.00 0.00 C ATOM 206 C GLU A 14 -3.283 4.505 -8.101 1.00 0.00 C ATOM 207 O GLU A 14 -2.406 4.696 -7.272 1.00 0.00 O ATOM 208 CB GLU A 14 -5.351 5.882 -8.316 1.00 0.00 C ATOM 209 CG GLU A 14 -5.988 7.190 -8.745 1.00 0.00 C ATOM 210 CD GLU A 14 -7.410 7.336 -8.234 1.00 0.00 C ATOM 211 OE1 GLU A 14 -8.307 6.631 -8.751 1.00 0.00 O ATOM 212 OE2 GLU A 14 -7.646 8.164 -7.326 1.00 0.00 O ATOM 0 H GLU A 14 -4.821 5.044 -10.612 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.360 6.578 -8.643 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.976 5.058 -8.662 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.340 5.838 -7.227 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.386 8.022 -8.379 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.988 7.251 -9.833 1.00 0.00 H new ATOM 219 N LYS A 15 -3.727 3.298 -8.431 1.00 0.00 N ATOM 220 CA LYS A 15 -3.150 2.081 -7.898 1.00 0.00 C ATOM 221 C LYS A 15 -1.639 2.031 -8.075 1.00 0.00 C ATOM 222 O LYS A 15 -0.903 1.769 -7.122 1.00 0.00 O ATOM 223 CB LYS A 15 -3.770 0.864 -8.571 1.00 0.00 C ATOM 224 CG LYS A 15 -5.159 0.535 -8.062 1.00 0.00 C ATOM 225 CD LYS A 15 -5.548 -0.881 -8.438 1.00 0.00 C ATOM 226 CE LYS A 15 -6.741 -1.378 -7.639 1.00 0.00 C ATOM 227 NZ LYS A 15 -7.341 -2.591 -8.254 1.00 0.00 N ATOM 0 H LYS A 15 -4.500 3.141 -9.078 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.366 2.072 -6.830 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.817 1.038 -9.646 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.121 0.002 -8.415 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.191 0.650 -6.979 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.880 1.238 -8.479 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.783 -0.922 -9.502 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.700 -1.545 -8.273 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.429 -1.602 -6.619 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.492 -0.591 -7.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.360 -2.440 -8.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.887 -2.776 -9.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.196 -3.407 -7.625 1.00 0.00 H new ATOM 241 N ARG A 16 -1.177 2.272 -9.294 1.00 0.00 N ATOM 242 CA ARG A 16 0.247 2.225 -9.570 1.00 0.00 C ATOM 243 C ARG A 16 0.976 3.311 -8.802 1.00 0.00 C ATOM 244 O ARG A 16 2.053 3.062 -8.258 1.00 0.00 O ATOM 245 CB ARG A 16 0.530 2.331 -11.080 1.00 0.00 C ATOM 246 CG ARG A 16 1.974 2.653 -11.438 1.00 0.00 C ATOM 247 CD ARG A 16 2.224 2.429 -12.920 1.00 0.00 C ATOM 248 NE ARG A 16 1.975 1.043 -13.322 1.00 0.00 N ATOM 249 CZ ARG A 16 2.883 0.066 -13.255 1.00 0.00 C ATOM 250 NH1 ARG A 16 4.099 0.309 -12.776 1.00 0.00 N ATOM 251 NH2 ARG A 16 2.572 -1.154 -13.672 1.00 0.00 N ATOM 0 H ARG A 16 -1.762 2.499 -10.098 1.00 0.00 H new ATOM 0 HA ARG A 16 0.622 1.258 -9.234 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.254 1.389 -11.554 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.115 3.101 -11.503 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.196 3.688 -11.179 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.647 2.027 -10.852 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.583 3.094 -13.499 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.254 2.694 -13.157 1.00 0.00 H new ATOM 0 HE ARG A 16 1.048 0.809 -13.676 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.343 1.246 -12.457 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.788 -0.442 -12.728 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.641 -1.344 -14.043 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.264 -1.902 -13.622 1.00 0.00 H new ATOM 265 N GLN A 17 0.392 4.502 -8.713 1.00 0.00 N ATOM 266 CA GLN A 17 1.037 5.544 -7.947 1.00 0.00 C ATOM 267 C GLN A 17 1.005 5.182 -6.465 1.00 0.00 C ATOM 268 O GLN A 17 1.983 5.377 -5.766 1.00 0.00 O ATOM 269 CB GLN A 17 0.429 6.928 -8.224 1.00 0.00 C ATOM 270 CG GLN A 17 1.160 8.044 -7.500 1.00 0.00 C ATOM 271 CD GLN A 17 2.601 8.190 -7.946 1.00 0.00 C ATOM 272 OE1 GLN A 17 2.933 7.975 -9.114 1.00 0.00 O ATOM 273 NE2 GLN A 17 3.476 8.505 -7.009 1.00 0.00 N ATOM 0 H GLN A 17 -0.495 4.758 -9.147 1.00 0.00 H new ATOM 0 HA GLN A 17 2.078 5.614 -8.262 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.450 7.121 -9.296 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.618 6.928 -7.920 1.00 0.00 H new ATOM 0 HG2 GLN A 17 0.635 8.985 -7.669 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.134 7.853 -6.427 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.161 8.675 -6.054 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.467 8.578 -7.240 1.00 0.00 H new ATOM 282 N LEU A 18 -0.095 4.576 -6.026 1.00 0.00 N ATOM 283 CA LEU A 18 -0.255 4.120 -4.650 1.00 0.00 C ATOM 284 C LEU A 18 0.838 3.147 -4.269 1.00 0.00 C ATOM 285 O LEU A 18 1.487 3.311 -3.241 1.00 0.00 O ATOM 286 CB LEU A 18 -1.617 3.451 -4.444 1.00 0.00 C ATOM 287 CG LEU A 18 -2.601 4.184 -3.518 1.00 0.00 C ATOM 288 CD1 LEU A 18 -3.063 3.299 -2.383 1.00 0.00 C ATOM 289 CD2 LEU A 18 -2.005 5.452 -2.948 1.00 0.00 C ATOM 0 H LEU A 18 -0.904 4.387 -6.618 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.190 5.001 -4.011 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.090 3.330 -5.419 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.450 2.451 -4.044 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.459 4.448 -4.137 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.757 3.852 -1.750 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.563 2.419 -2.788 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.202 2.987 -1.791 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.735 5.938 -2.300 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.113 5.207 -2.371 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.737 6.126 -3.762 1.00 0.00 H new ATOM 301 N SER A 19 1.043 2.134 -5.106 1.00 0.00 N ATOM 302 CA SER A 19 2.081 1.154 -4.850 1.00 0.00 C ATOM 303 C SER A 19 3.443 1.846 -4.763 1.00 0.00 C ATOM 304 O SER A 19 4.355 1.373 -4.085 1.00 0.00 O ATOM 305 CB SER A 19 2.087 0.070 -5.932 1.00 0.00 C ATOM 306 OG SER A 19 2.320 0.612 -7.224 1.00 0.00 O ATOM 0 H SER A 19 0.507 1.975 -5.959 1.00 0.00 H new ATOM 0 HA SER A 19 1.875 0.669 -3.896 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.857 -0.667 -5.703 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.132 -0.455 -5.925 1.00 0.00 H new ATOM 0 HG SER A 19 2.134 1.574 -7.214 1.00 0.00 H new ATOM 312 N LEU A 20 3.559 2.980 -5.454 1.00 0.00 N ATOM 313 CA LEU A 20 4.762 3.809 -5.396 1.00 0.00 C ATOM 314 C LEU A 20 4.816 4.647 -4.107 1.00 0.00 C ATOM 315 O LEU A 20 5.817 4.613 -3.397 1.00 0.00 O ATOM 316 CB LEU A 20 4.834 4.724 -6.621 1.00 0.00 C ATOM 317 CG LEU A 20 5.036 4.011 -7.954 1.00 0.00 C ATOM 318 CD1 LEU A 20 4.927 4.994 -9.109 1.00 0.00 C ATOM 319 CD2 LEU A 20 6.380 3.319 -7.972 1.00 0.00 C ATOM 0 H LEU A 20 2.829 3.347 -6.064 1.00 0.00 H new ATOM 0 HA LEU A 20 5.623 3.140 -5.394 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.914 5.306 -6.674 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.651 5.432 -6.478 1.00 0.00 H new ATOM 0 HG LEU A 20 4.254 3.261 -8.071 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.074 4.466 -10.051 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.940 5.456 -9.102 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.689 5.766 -9.003 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.516 2.812 -8.928 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.171 4.057 -7.837 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.424 2.588 -7.165 1.00 0.00 H new ATOM 331 N ASP A 21 3.754 5.410 -3.811 1.00 0.00 N ATOM 332 CA ASP A 21 3.683 6.195 -2.589 1.00 0.00 C ATOM 333 C ASP A 21 3.946 5.311 -1.375 1.00 0.00 C ATOM 334 O ASP A 21 4.644 5.697 -0.432 1.00 0.00 O ATOM 335 CB ASP A 21 2.334 6.874 -2.443 1.00 0.00 C ATOM 336 CG ASP A 21 1.683 7.312 -3.739 1.00 0.00 C ATOM 337 OD1 ASP A 21 0.498 6.993 -3.952 1.00 0.00 O ATOM 338 OD2 ASP A 21 2.336 8.041 -4.519 1.00 0.00 O ATOM 0 H ASP A 21 2.933 5.494 -4.410 1.00 0.00 H new ATOM 0 HA ASP A 21 4.450 6.967 -2.649 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.657 6.192 -1.928 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.454 7.748 -1.803 1.00 0.00 H new ATOM 343 N ILE A 22 3.409 4.106 -1.435 1.00 0.00 N ATOM 344 CA ILE A 22 3.580 3.120 -0.377 1.00 0.00 C ATOM 345 C ILE A 22 5.018 2.608 -0.316 1.00 0.00 C ATOM 346 O ILE A 22 5.554 2.371 0.763 1.00 0.00 O ATOM 347 CB ILE A 22 2.599 1.941 -0.560 1.00 0.00 C ATOM 348 CG1 ILE A 22 1.157 2.397 -0.312 1.00 0.00 C ATOM 349 CG2 ILE A 22 2.948 0.799 0.372 1.00 0.00 C ATOM 350 CD1 ILE A 22 0.122 1.424 -0.826 1.00 0.00 C ATOM 0 H ILE A 22 2.841 3.781 -2.218 1.00 0.00 H new ATOM 0 HA ILE A 22 3.358 3.615 0.569 1.00 0.00 H new ATOM 0 HB ILE A 22 2.686 1.589 -1.588 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.009 2.542 0.758 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.003 3.365 -0.789 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.243 -0.019 0.225 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.958 0.451 0.158 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.894 1.143 1.405 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.876 1.810 -0.617 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.244 1.298 -1.902 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.250 0.461 -0.331 1.00 0.00 H new ATOM 362 N ASN A 23 5.654 2.463 -1.467 1.00 0.00 N ATOM 363 CA ASN A 23 7.015 1.941 -1.510 1.00 0.00 C ATOM 364 C ASN A 23 8.029 3.037 -1.184 1.00 0.00 C ATOM 365 O ASN A 23 9.183 2.746 -0.866 1.00 0.00 O ATOM 366 CB ASN A 23 7.308 1.284 -2.870 1.00 0.00 C ATOM 367 CG ASN A 23 8.166 2.127 -3.804 1.00 0.00 C ATOM 368 OD1 ASN A 23 7.667 2.950 -4.568 1.00 0.00 O ATOM 369 ND2 ASN A 23 9.468 1.902 -3.771 1.00 0.00 N ATOM 0 H ASN A 23 5.257 2.696 -2.377 1.00 0.00 H new ATOM 0 HA ASN A 23 7.110 1.169 -0.746 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.808 0.330 -2.699 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.362 1.064 -3.365 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.091 2.419 -4.392 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.850 1.212 -3.125 1.00 0.00 H new ATOM 376 N LYS A 24 7.595 4.296 -1.263 1.00 0.00 N ATOM 377 CA LYS A 24 8.425 5.418 -0.833 1.00 0.00 C ATOM 378 C LYS A 24 8.699 5.326 0.656 1.00 0.00 C ATOM 379 O LYS A 24 9.781 5.687 1.127 1.00 0.00 O ATOM 380 CB LYS A 24 7.746 6.751 -1.116 1.00 0.00 C ATOM 381 CG LYS A 24 7.671 7.114 -2.581 1.00 0.00 C ATOM 382 CD LYS A 24 6.922 8.424 -2.767 1.00 0.00 C ATOM 383 CE LYS A 24 6.671 8.745 -4.225 1.00 0.00 C ATOM 384 NZ LYS A 24 7.936 8.959 -4.973 1.00 0.00 N ATOM 0 H LYS A 24 6.677 4.562 -1.620 1.00 0.00 H new ATOM 0 HA LYS A 24 9.358 5.366 -1.394 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.735 6.724 -0.709 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.282 7.538 -0.586 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.677 7.202 -2.992 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.169 6.320 -3.133 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.969 8.372 -2.240 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.494 9.233 -2.313 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.111 7.930 -4.685 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.051 9.638 -4.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.719 9.193 -5.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.467 9.742 -4.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.510 8.092 -4.940 1.00 0.00 H new ATOM 398 N LEU A 25 7.698 4.855 1.390 1.00 0.00 N ATOM 399 CA LEU A 25 7.791 4.714 2.831 1.00 0.00 C ATOM 400 C LEU A 25 9.010 3.895 3.225 1.00 0.00 C ATOM 401 O LEU A 25 9.408 2.966 2.519 1.00 0.00 O ATOM 402 CB LEU A 25 6.546 4.019 3.379 1.00 0.00 C ATOM 403 CG LEU A 25 5.204 4.556 2.898 1.00 0.00 C ATOM 404 CD1 LEU A 25 4.097 3.646 3.386 1.00 0.00 C ATOM 405 CD2 LEU A 25 4.974 5.968 3.407 1.00 0.00 C ATOM 0 H LEU A 25 6.802 4.562 1.000 1.00 0.00 H new ATOM 0 HA LEU A 25 7.878 5.716 3.251 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.603 2.962 3.121 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.570 4.083 4.467 1.00 0.00 H new ATOM 0 HG LEU A 25 5.206 4.583 1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.135 4.027 3.044 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.251 2.642 2.991 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.107 3.613 4.475 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.010 6.331 3.051 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.982 5.968 4.497 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.765 6.621 3.039 1.00 0.00 H new ATOM 417 N PRO A 26 9.639 4.258 4.344 1.00 0.00 N ATOM 418 CA PRO A 26 10.669 3.427 4.955 1.00 0.00 C ATOM 419 C PRO A 26 10.109 2.057 5.333 1.00 0.00 C ATOM 420 O PRO A 26 8.896 1.923 5.531 1.00 0.00 O ATOM 421 CB PRO A 26 11.097 4.194 6.210 1.00 0.00 C ATOM 422 CG PRO A 26 10.515 5.569 6.087 1.00 0.00 C ATOM 423 CD PRO A 26 9.409 5.519 5.063 1.00 0.00 C ATOM 0 HA PRO A 26 11.502 3.245 4.276 1.00 0.00 H new ATOM 0 HB2 PRO A 26 10.734 3.698 7.110 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.183 4.238 6.286 1.00 0.00 H new ATOM 0 HG2 PRO A 26 10.128 5.906 7.049 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.282 6.282 5.784 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.427 5.534 5.536 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.451 6.375 4.389 1.00 0.00 H new ATOM 431 N GLY A 27 10.978 1.056 5.438 1.00 0.00 N ATOM 432 CA GLY A 27 10.539 -0.324 5.626 1.00 0.00 C ATOM 433 C GLY A 27 9.509 -0.492 6.728 1.00 0.00 C ATOM 434 O GLY A 27 8.506 -1.187 6.544 1.00 0.00 O ATOM 0 H GLY A 27 11.990 1.174 5.396 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.120 -0.693 4.690 1.00 0.00 H new ATOM 0 HA3 GLY A 27 11.406 -0.944 5.854 1.00 0.00 H new ATOM 438 N GLU A 28 9.752 0.154 7.864 1.00 0.00 N ATOM 439 CA GLU A 28 8.838 0.104 9.005 1.00 0.00 C ATOM 440 C GLU A 28 7.428 0.538 8.606 1.00 0.00 C ATOM 441 O GLU A 28 6.437 -0.050 9.037 1.00 0.00 O ATOM 442 CB GLU A 28 9.347 1.017 10.122 1.00 0.00 C ATOM 443 CG GLU A 28 8.490 0.988 11.375 1.00 0.00 C ATOM 444 CD GLU A 28 8.590 -0.325 12.120 1.00 0.00 C ATOM 445 OE1 GLU A 28 9.553 -0.495 12.896 1.00 0.00 O ATOM 446 OE2 GLU A 28 7.708 -1.191 11.941 1.00 0.00 O ATOM 0 H GLU A 28 10.583 0.725 8.022 1.00 0.00 H new ATOM 0 HA GLU A 28 8.799 -0.927 9.355 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.364 0.725 10.382 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.395 2.040 9.749 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.792 1.800 12.036 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.450 1.169 11.103 1.00 0.00 H new ATOM 453 N LYS A 29 7.346 1.550 7.759 1.00 0.00 N ATOM 454 CA LYS A 29 6.070 2.147 7.411 1.00 0.00 C ATOM 455 C LYS A 29 5.275 1.273 6.445 1.00 0.00 C ATOM 456 O LYS A 29 4.049 1.315 6.434 1.00 0.00 O ATOM 457 CB LYS A 29 6.267 3.549 6.835 1.00 0.00 C ATOM 458 CG LYS A 29 6.520 4.652 7.878 1.00 0.00 C ATOM 459 CD LYS A 29 5.878 4.395 9.238 1.00 0.00 C ATOM 460 CE LYS A 29 6.251 5.500 10.210 1.00 0.00 C ATOM 461 NZ LYS A 29 6.248 6.841 9.566 1.00 0.00 N ATOM 0 H LYS A 29 8.151 1.976 7.299 1.00 0.00 H new ATOM 0 HA LYS A 29 5.489 2.227 8.330 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.108 3.526 6.142 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.383 3.814 6.255 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.595 4.767 8.014 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.146 5.598 7.486 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.794 4.343 9.133 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.207 3.432 9.627 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.550 5.499 11.045 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.240 5.300 10.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.221 7.578 10.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.109 6.953 8.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.412 6.930 8.954 1.00 0.00 H new ATOM 475 N LEU A 30 5.948 0.452 5.654 1.00 0.00 N ATOM 476 CA LEU A 30 5.216 -0.503 4.831 1.00 0.00 C ATOM 477 C LEU A 30 4.634 -1.601 5.716 1.00 0.00 C ATOM 478 O LEU A 30 3.760 -2.354 5.295 1.00 0.00 O ATOM 479 CB LEU A 30 6.072 -1.111 3.719 1.00 0.00 C ATOM 480 CG LEU A 30 6.476 -0.171 2.593 1.00 0.00 C ATOM 481 CD1 LEU A 30 7.912 0.265 2.753 1.00 0.00 C ATOM 482 CD2 LEU A 30 6.278 -0.843 1.243 1.00 0.00 C ATOM 0 H LEU A 30 6.964 0.424 5.563 1.00 0.00 H new ATOM 0 HA LEU A 30 4.412 0.043 4.338 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.978 -1.518 4.168 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.527 -1.950 3.286 1.00 0.00 H new ATOM 0 HG LEU A 30 5.839 0.712 2.641 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.181 0.937 1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.031 0.783 3.705 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.562 -0.610 2.732 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.572 -0.157 0.449 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.891 -1.743 1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.229 -1.112 1.121 1.00 0.00 H new ATOM 494 N GLY A 31 5.103 -1.662 6.961 1.00 0.00 N ATOM 495 CA GLY A 31 4.535 -2.582 7.928 1.00 0.00 C ATOM 496 C GLY A 31 3.103 -2.219 8.271 1.00 0.00 C ATOM 497 O GLY A 31 2.340 -3.042 8.772 1.00 0.00 O ATOM 0 H GLY A 31 5.868 -1.088 7.316 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.568 -3.596 7.529 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.139 -2.576 8.835 1.00 0.00 H new ATOM 501 N ARG A 32 2.748 -0.978 7.988 1.00 0.00 N ATOM 502 CA ARG A 32 1.390 -0.497 8.190 1.00 0.00 C ATOM 503 C ARG A 32 0.472 -0.940 7.051 1.00 0.00 C ATOM 504 O ARG A 32 -0.588 -1.505 7.297 1.00 0.00 O ATOM 505 CB ARG A 32 1.384 1.025 8.301 1.00 0.00 C ATOM 506 CG ARG A 32 0.011 1.646 8.078 1.00 0.00 C ATOM 507 CD ARG A 32 -0.645 2.075 9.374 1.00 0.00 C ATOM 508 NE ARG A 32 0.175 3.016 10.132 1.00 0.00 N ATOM 509 CZ ARG A 32 -0.311 3.865 11.035 1.00 0.00 C ATOM 510 NH1 ARG A 32 -1.617 3.912 11.276 1.00 0.00 N ATOM 511 NH2 ARG A 32 0.511 4.666 11.699 1.00 0.00 N ATOM 0 H ARG A 32 3.388 -0.278 7.614 1.00 0.00 H new ATOM 0 HA ARG A 32 1.014 -0.928 9.118 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.747 1.311 9.288 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.083 1.437 7.573 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.108 2.509 7.420 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.632 0.928 7.569 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.609 2.533 9.155 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.842 1.195 9.986 1.00 0.00 H new ATOM 0 HE ARG A 32 1.180 3.023 9.959 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.252 3.296 10.768 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.985 4.564 11.969 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.514 4.631 11.518 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.140 5.317 12.391 1.00 0.00 H new ATOM 525 N VAL A 33 0.874 -0.675 5.809 1.00 0.00 N ATOM 526 CA VAL A 33 0.069 -1.057 4.647 1.00 0.00 C ATOM 527 C VAL A 33 -0.134 -2.557 4.587 1.00 0.00 C ATOM 528 O VAL A 33 -1.234 -3.011 4.294 1.00 0.00 O ATOM 529 CB VAL A 33 0.677 -0.570 3.319 1.00 0.00 C ATOM 530 CG1 VAL A 33 0.339 0.892 3.091 1.00 0.00 C ATOM 531 CG2 VAL A 33 2.176 -0.770 3.301 1.00 0.00 C ATOM 0 H VAL A 33 1.747 -0.200 5.581 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.895 -0.566 4.776 1.00 0.00 H new ATOM 0 HB VAL A 33 0.247 -1.163 2.512 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.775 1.224 2.149 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.744 1.013 3.053 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.742 1.490 3.908 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.579 -0.417 2.351 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.628 -0.208 4.118 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.403 -1.829 3.420 1.00 0.00 H new ATOM 541 N VAL A 34 0.908 -3.329 4.883 1.00 0.00 N ATOM 542 CA VAL A 34 0.758 -4.769 4.928 1.00 0.00 C ATOM 543 C VAL A 34 -0.249 -5.137 6.012 1.00 0.00 C ATOM 544 O VAL A 34 -1.114 -5.970 5.794 1.00 0.00 O ATOM 545 CB VAL A 34 2.102 -5.504 5.156 1.00 0.00 C ATOM 546 CG1 VAL A 34 3.131 -5.071 4.130 1.00 0.00 C ATOM 547 CG2 VAL A 34 2.633 -5.284 6.558 1.00 0.00 C ATOM 0 H VAL A 34 1.845 -2.985 5.091 1.00 0.00 H new ATOM 0 HA VAL A 34 0.392 -5.096 3.955 1.00 0.00 H new ATOM 0 HB VAL A 34 1.912 -6.571 5.037 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.067 -5.599 4.309 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.768 -5.305 3.129 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.299 -3.997 4.214 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.577 -5.816 6.677 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.794 -4.219 6.723 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.911 -5.659 7.283 1.00 0.00 H new ATOM 557 N HIS A 35 -0.168 -4.455 7.152 1.00 0.00 N ATOM 558 CA HIS A 35 -1.101 -4.675 8.250 1.00 0.00 C ATOM 559 C HIS A 35 -2.520 -4.305 7.829 1.00 0.00 C ATOM 560 O HIS A 35 -3.474 -5.010 8.154 1.00 0.00 O ATOM 561 CB HIS A 35 -0.667 -3.865 9.477 1.00 0.00 C ATOM 562 CG HIS A 35 -1.653 -3.865 10.607 1.00 0.00 C ATOM 563 ND1 HIS A 35 -1.720 -4.867 11.549 1.00 0.00 N ATOM 564 CD2 HIS A 35 -2.607 -2.966 10.948 1.00 0.00 C ATOM 565 CE1 HIS A 35 -2.669 -4.587 12.419 1.00 0.00 C ATOM 566 NE2 HIS A 35 -3.224 -3.438 12.079 1.00 0.00 N ATOM 0 H HIS A 35 0.538 -3.743 7.338 1.00 0.00 H new ATOM 0 HA HIS A 35 -1.093 -5.733 8.513 1.00 0.00 H new ATOM 0 HB2 HIS A 35 0.282 -4.261 9.840 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -0.486 -2.835 9.170 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -2.839 -2.049 10.427 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -2.946 -5.195 13.267 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -3.986 -2.977 12.576 1.00 0.00 H new ATOM 575 N ILE A 36 -2.656 -3.195 7.109 1.00 0.00 N ATOM 576 CA ILE A 36 -3.950 -2.793 6.584 1.00 0.00 C ATOM 577 C ILE A 36 -4.457 -3.827 5.589 1.00 0.00 C ATOM 578 O ILE A 36 -5.474 -4.465 5.824 1.00 0.00 O ATOM 579 CB ILE A 36 -3.920 -1.412 5.891 1.00 0.00 C ATOM 580 CG1 ILE A 36 -3.587 -0.303 6.883 1.00 0.00 C ATOM 581 CG2 ILE A 36 -5.274 -1.149 5.255 1.00 0.00 C ATOM 582 CD1 ILE A 36 -3.312 1.027 6.218 1.00 0.00 C ATOM 0 H ILE A 36 -1.889 -2.564 6.879 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.618 -2.721 7.442 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.142 -1.420 5.127 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.416 -0.188 7.582 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.715 -0.597 7.468 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.262 -0.176 4.763 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.487 -1.925 4.520 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.045 -1.157 6.025 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.082 1.773 6.978 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.465 0.926 5.540 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.191 1.341 5.656 1.00 0.00 H new ATOM 594 N ILE A 37 -3.732 -3.994 4.489 1.00 0.00 N ATOM 595 CA ILE A 37 -4.106 -4.953 3.460 1.00 0.00 C ATOM 596 C ILE A 37 -4.418 -6.335 4.048 1.00 0.00 C ATOM 597 O ILE A 37 -5.484 -6.877 3.809 1.00 0.00 O ATOM 598 CB ILE A 37 -3.014 -5.093 2.393 1.00 0.00 C ATOM 599 CG1 ILE A 37 -3.045 -3.896 1.455 1.00 0.00 C ATOM 600 CG2 ILE A 37 -3.210 -6.374 1.614 1.00 0.00 C ATOM 601 CD1 ILE A 37 -1.710 -3.230 1.287 1.00 0.00 C ATOM 0 H ILE A 37 -2.878 -3.474 4.288 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.010 -4.560 2.995 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.042 -5.128 2.885 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.406 -4.219 0.479 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.761 -3.166 1.834 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.429 -6.464 0.859 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -3.157 -7.225 2.293 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.185 -6.358 1.127 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.808 -2.385 0.605 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.356 -2.876 2.255 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.996 -3.945 0.879 1.00 0.00 H new ATOM 613 N GLN A 38 -3.495 -6.884 4.835 1.00 0.00 N ATOM 614 CA GLN A 38 -3.650 -8.231 5.389 1.00 0.00 C ATOM 615 C GLN A 38 -4.932 -8.369 6.213 1.00 0.00 C ATOM 616 O GLN A 38 -5.605 -9.398 6.160 1.00 0.00 O ATOM 617 CB GLN A 38 -2.444 -8.587 6.260 1.00 0.00 C ATOM 618 CG GLN A 38 -1.194 -8.954 5.472 1.00 0.00 C ATOM 619 CD GLN A 38 0.058 -8.975 6.334 1.00 0.00 C ATOM 620 OE1 GLN A 38 0.158 -8.258 7.331 1.00 0.00 O ATOM 621 NE2 GLN A 38 1.029 -9.786 5.950 1.00 0.00 N ATOM 0 H GLN A 38 -2.629 -6.417 5.105 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.715 -8.920 4.547 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.216 -7.741 6.909 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.711 -9.423 6.907 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.332 -9.934 5.015 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.059 -8.240 4.660 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.911 -10.365 5.119 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.896 -9.832 6.485 1.00 0.00 H new ATOM 630 N SER A 39 -5.259 -7.336 6.980 1.00 0.00 N ATOM 631 CA SER A 39 -6.436 -7.359 7.824 1.00 0.00 C ATOM 632 C SER A 39 -7.714 -7.164 7.008 1.00 0.00 C ATOM 633 O SER A 39 -8.734 -7.811 7.264 1.00 0.00 O ATOM 634 CB SER A 39 -6.314 -6.277 8.900 1.00 0.00 C ATOM 635 OG SER A 39 -6.218 -4.982 8.334 1.00 0.00 O ATOM 0 H SER A 39 -4.720 -6.471 7.031 1.00 0.00 H new ATOM 0 HA SER A 39 -6.501 -8.337 8.300 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.180 -6.322 9.561 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.434 -6.472 9.514 1.00 0.00 H new ATOM 0 HG SER A 39 -5.849 -5.047 7.429 1.00 0.00 H new ATOM 641 N ARG A 40 -7.648 -6.272 6.027 1.00 0.00 N ATOM 642 CA ARG A 40 -8.798 -5.962 5.185 1.00 0.00 C ATOM 643 C ARG A 40 -9.032 -7.073 4.163 1.00 0.00 C ATOM 644 O ARG A 40 -10.170 -7.356 3.785 1.00 0.00 O ATOM 645 CB ARG A 40 -8.586 -4.622 4.466 1.00 0.00 C ATOM 646 CG ARG A 40 -8.240 -3.473 5.402 1.00 0.00 C ATOM 647 CD ARG A 40 -8.812 -2.149 4.931 1.00 0.00 C ATOM 648 NE ARG A 40 -10.275 -2.125 4.925 1.00 0.00 N ATOM 649 CZ ARG A 40 -11.008 -1.180 5.517 1.00 0.00 C ATOM 650 NH1 ARG A 40 -10.426 -0.249 6.263 1.00 0.00 N ATOM 651 NH2 ARG A 40 -12.328 -1.183 5.388 1.00 0.00 N ATOM 0 H ARG A 40 -6.805 -5.747 5.794 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.679 -5.886 5.823 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.787 -4.735 3.734 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.491 -4.369 3.914 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.619 -3.695 6.400 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.156 -3.389 5.484 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.444 -1.351 5.576 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.447 -1.940 3.925 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.764 -2.876 4.439 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.413 -0.253 6.386 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.991 0.471 6.713 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.785 -1.909 4.835 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.886 -0.460 5.841 1.00 0.00 H new ATOM 665 N GLU A 41 -7.951 -7.699 3.726 1.00 0.00 N ATOM 666 CA GLU A 41 -8.016 -8.760 2.731 1.00 0.00 C ATOM 667 C GLU A 41 -7.717 -10.118 3.374 1.00 0.00 C ATOM 668 O GLU A 41 -6.553 -10.517 3.452 1.00 0.00 O ATOM 669 CB GLU A 41 -7.002 -8.481 1.625 1.00 0.00 C ATOM 670 CG GLU A 41 -7.085 -7.067 1.073 1.00 0.00 C ATOM 671 CD GLU A 41 -8.405 -6.786 0.381 1.00 0.00 C ATOM 672 OE1 GLU A 41 -8.856 -7.624 -0.418 1.00 0.00 O ATOM 673 OE2 GLU A 41 -9.004 -5.722 0.634 1.00 0.00 O ATOM 0 H GLU A 41 -7.007 -7.488 4.049 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.021 -8.788 2.310 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.997 -8.654 2.011 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.158 -9.190 0.812 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.947 -6.355 1.887 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.269 -6.908 0.368 1.00 0.00 H new ATOM 680 N PRO A 42 -8.748 -10.870 3.832 1.00 0.00 N ATOM 681 CA PRO A 42 -8.525 -12.117 4.597 1.00 0.00 C ATOM 682 C PRO A 42 -7.891 -13.261 3.787 1.00 0.00 C ATOM 683 O PRO A 42 -7.732 -14.365 4.303 1.00 0.00 O ATOM 684 CB PRO A 42 -9.935 -12.510 5.064 1.00 0.00 C ATOM 685 CG PRO A 42 -10.853 -11.882 4.074 1.00 0.00 C ATOM 686 CD PRO A 42 -10.209 -10.584 3.671 1.00 0.00 C ATOM 0 HA PRO A 42 -7.810 -11.946 5.402 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -10.057 -13.593 5.085 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -10.133 -12.147 6.073 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.996 -12.531 3.210 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.837 -11.710 4.510 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.457 -10.312 2.645 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.531 -9.759 4.306 1.00 0.00 H new ATOM 694 N SER A 43 -7.515 -13.007 2.539 1.00 0.00 N ATOM 695 CA SER A 43 -7.032 -14.067 1.668 1.00 0.00 C ATOM 696 C SER A 43 -5.510 -14.026 1.549 1.00 0.00 C ATOM 697 O SER A 43 -4.905 -14.870 0.884 1.00 0.00 O ATOM 698 CB SER A 43 -7.683 -13.947 0.282 1.00 0.00 C ATOM 699 OG SER A 43 -9.097 -13.914 0.399 1.00 0.00 O ATOM 0 H SER A 43 -7.536 -12.081 2.111 1.00 0.00 H new ATOM 0 HA SER A 43 -7.309 -15.026 2.107 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.332 -13.042 -0.214 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.383 -14.789 -0.341 1.00 0.00 H new ATOM 0 HG SER A 43 -9.497 -13.836 -0.492 1.00 0.00 H new ATOM 705 N LEU A 44 -4.887 -13.048 2.200 1.00 0.00 N ATOM 706 CA LEU A 44 -3.440 -12.900 2.123 1.00 0.00 C ATOM 707 C LEU A 44 -2.809 -12.738 3.502 1.00 0.00 C ATOM 708 O LEU A 44 -1.685 -12.268 3.619 1.00 0.00 O ATOM 709 CB LEU A 44 -3.068 -11.729 1.206 1.00 0.00 C ATOM 710 CG LEU A 44 -3.659 -10.372 1.563 1.00 0.00 C ATOM 711 CD1 LEU A 44 -2.701 -9.603 2.445 1.00 0.00 C ATOM 712 CD2 LEU A 44 -3.978 -9.590 0.298 1.00 0.00 C ATOM 0 H LEU A 44 -5.357 -12.353 2.781 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.037 -13.818 1.694 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.982 -11.636 1.195 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.377 -11.979 0.191 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.587 -10.522 2.115 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.134 -8.634 2.694 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.518 -10.165 3.361 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.759 -9.455 1.917 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.400 -8.621 0.566 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.065 -9.441 -0.278 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.698 -10.146 -0.302 1.00 0.00 H new ATOM 724 N LYS A 45 -3.507 -13.170 4.544 1.00 0.00 N ATOM 725 CA LYS A 45 -2.960 -13.080 5.901 1.00 0.00 C ATOM 726 C LYS A 45 -1.995 -14.229 6.179 1.00 0.00 C ATOM 727 O LYS A 45 -1.535 -14.419 7.304 1.00 0.00 O ATOM 728 CB LYS A 45 -4.058 -12.990 6.970 1.00 0.00 C ATOM 729 CG LYS A 45 -5.243 -13.889 6.732 1.00 0.00 C ATOM 730 CD LYS A 45 -6.455 -13.386 7.486 1.00 0.00 C ATOM 731 CE LYS A 45 -6.337 -13.633 8.982 1.00 0.00 C ATOM 732 NZ LYS A 45 -7.538 -13.166 9.718 1.00 0.00 N ATOM 0 H LYS A 45 -4.439 -13.581 4.484 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.398 -12.148 5.959 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.623 -13.234 7.939 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.407 -11.959 7.027 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.464 -13.933 5.666 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.006 -14.904 7.050 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.579 -12.319 7.303 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.349 -13.880 7.106 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.192 -14.698 9.163 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.455 -13.121 9.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.417 -13.353 10.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.663 -12.145 9.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.377 -13.673 9.370 1.00 0.00 H new ATOM 746 N ASN A 46 -1.709 -15.001 5.138 1.00 0.00 N ATOM 747 CA ASN A 46 -0.681 -16.036 5.198 1.00 0.00 C ATOM 748 C ASN A 46 0.702 -15.420 4.981 1.00 0.00 C ATOM 749 O ASN A 46 1.725 -16.060 5.222 1.00 0.00 O ATOM 750 CB ASN A 46 -0.933 -17.115 4.114 1.00 0.00 C ATOM 751 CG ASN A 46 -1.185 -16.505 2.744 1.00 0.00 C ATOM 752 OD1 ASN A 46 -0.248 -16.167 2.023 1.00 0.00 O ATOM 753 ND2 ASN A 46 -2.447 -16.383 2.363 1.00 0.00 N ATOM 0 H ASN A 46 -2.178 -14.930 4.235 1.00 0.00 H new ATOM 0 HA ASN A 46 -0.723 -16.500 6.183 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.072 -17.782 4.060 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -1.790 -17.724 4.402 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -2.668 -15.998 1.445 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -3.199 -16.674 2.988 1.00 0.00 H new ATOM 760 N SER A 47 0.720 -14.174 4.522 1.00 0.00 N ATOM 761 CA SER A 47 1.964 -13.483 4.208 1.00 0.00 C ATOM 762 C SER A 47 2.628 -12.957 5.477 1.00 0.00 C ATOM 763 O SER A 47 1.956 -12.482 6.393 1.00 0.00 O ATOM 764 CB SER A 47 1.679 -12.315 3.250 1.00 0.00 C ATOM 765 OG SER A 47 0.722 -11.439 3.819 1.00 0.00 O ATOM 0 H SER A 47 -0.120 -13.619 4.358 1.00 0.00 H new ATOM 0 HA SER A 47 2.642 -14.191 3.732 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.601 -11.772 3.042 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.312 -12.697 2.298 1.00 0.00 H new ATOM 0 HG SER A 47 -0.167 -11.653 3.468 1.00 0.00 H new ATOM 771 N ASN A 48 3.943 -13.064 5.532 1.00 0.00 N ATOM 772 CA ASN A 48 4.711 -12.467 6.615 1.00 0.00 C ATOM 773 C ASN A 48 5.128 -11.070 6.182 1.00 0.00 C ATOM 774 O ASN A 48 5.560 -10.892 5.049 1.00 0.00 O ATOM 775 CB ASN A 48 5.968 -13.293 6.899 1.00 0.00 C ATOM 776 CG ASN A 48 6.232 -13.496 8.384 1.00 0.00 C ATOM 777 OD1 ASN A 48 5.870 -12.667 9.216 1.00 0.00 O ATOM 778 ND2 ASN A 48 6.880 -14.598 8.723 1.00 0.00 N ATOM 0 H ASN A 48 4.504 -13.559 4.839 1.00 0.00 H new ATOM 0 HA ASN A 48 4.102 -12.434 7.519 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.871 -14.266 6.418 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.829 -12.799 6.448 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.095 -14.782 9.703 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.165 -15.264 8.005 1.00 0.00 H new ATOM 785 N PRO A 49 5.006 -10.055 7.057 1.00 0.00 N ATOM 786 CA PRO A 49 5.375 -8.668 6.716 1.00 0.00 C ATOM 787 C PRO A 49 6.845 -8.516 6.324 1.00 0.00 C ATOM 788 O PRO A 49 7.235 -7.511 5.749 1.00 0.00 O ATOM 789 CB PRO A 49 5.090 -7.894 8.008 1.00 0.00 C ATOM 790 CG PRO A 49 4.109 -8.735 8.746 1.00 0.00 C ATOM 791 CD PRO A 49 4.487 -10.154 8.436 1.00 0.00 C ATOM 0 HA PRO A 49 4.818 -8.312 5.849 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.000 -7.746 8.589 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.683 -6.906 7.795 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.154 -8.542 9.818 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.089 -8.521 8.426 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.240 -10.533 9.126 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.630 -10.825 8.500 1.00 0.00 H new ATOM 799 N ASP A 50 7.653 -9.524 6.624 1.00 0.00 N ATOM 800 CA ASP A 50 9.083 -9.477 6.317 1.00 0.00 C ATOM 801 C ASP A 50 9.340 -10.015 4.908 1.00 0.00 C ATOM 802 O ASP A 50 10.403 -9.805 4.322 1.00 0.00 O ATOM 803 CB ASP A 50 9.876 -10.280 7.359 1.00 0.00 C ATOM 804 CG ASP A 50 11.361 -10.314 7.072 1.00 0.00 C ATOM 805 OD1 ASP A 50 11.870 -11.382 6.674 1.00 0.00 O ATOM 806 OD2 ASP A 50 12.029 -9.272 7.250 1.00 0.00 O ATOM 0 H ASP A 50 7.347 -10.384 7.079 1.00 0.00 H new ATOM 0 HA ASP A 50 9.418 -8.440 6.354 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.712 -9.847 8.346 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.494 -11.300 7.391 1.00 0.00 H new ATOM 811 N GLU A 51 8.326 -10.668 4.363 1.00 0.00 N ATOM 812 CA GLU A 51 8.398 -11.302 3.054 1.00 0.00 C ATOM 813 C GLU A 51 7.107 -11.044 2.294 1.00 0.00 C ATOM 814 O GLU A 51 6.685 -11.849 1.462 1.00 0.00 O ATOM 815 CB GLU A 51 8.629 -12.806 3.200 1.00 0.00 C ATOM 816 CG GLU A 51 10.082 -13.187 3.421 1.00 0.00 C ATOM 817 CD GLU A 51 10.918 -13.047 2.167 1.00 0.00 C ATOM 818 OE1 GLU A 51 11.904 -12.281 2.180 1.00 0.00 O ATOM 819 OE2 GLU A 51 10.590 -13.709 1.157 1.00 0.00 O ATOM 0 H GLU A 51 7.421 -10.774 4.820 1.00 0.00 H new ATOM 0 HA GLU A 51 9.235 -10.878 2.500 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.036 -13.175 4.036 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.264 -13.308 2.304 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.503 -12.559 4.206 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.134 -14.217 3.775 1.00 0.00 H new ATOM 826 N ILE A 52 6.486 -9.915 2.600 1.00 0.00 N ATOM 827 CA ILE A 52 5.149 -9.604 2.120 1.00 0.00 C ATOM 828 C ILE A 52 5.087 -9.537 0.590 1.00 0.00 C ATOM 829 O ILE A 52 6.060 -9.181 -0.080 1.00 0.00 O ATOM 830 CB ILE A 52 4.654 -8.253 2.697 1.00 0.00 C ATOM 831 CG1 ILE A 52 3.164 -8.049 2.420 1.00 0.00 C ATOM 832 CG2 ILE A 52 5.418 -7.136 2.052 1.00 0.00 C ATOM 833 CD1 ILE A 52 2.293 -9.207 2.825 1.00 0.00 C ATOM 0 H ILE A 52 6.895 -9.189 3.188 1.00 0.00 H new ATOM 0 HA ILE A 52 4.503 -10.413 2.461 1.00 0.00 H new ATOM 0 HB ILE A 52 4.813 -8.261 3.775 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.828 -7.156 2.946 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.027 -7.862 1.355 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.075 -6.182 2.453 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.481 -7.256 2.259 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.253 -7.157 0.975 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.253 -8.978 2.593 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.598 -10.100 2.280 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.396 -9.383 3.896 1.00 0.00 H new ATOM 845 N GLU A 53 3.940 -9.918 0.055 1.00 0.00 N ATOM 846 CA GLU A 53 3.645 -9.759 -1.351 1.00 0.00 C ATOM 847 C GLU A 53 2.193 -9.309 -1.500 1.00 0.00 C ATOM 848 O GLU A 53 1.276 -10.120 -1.396 1.00 0.00 O ATOM 849 CB GLU A 53 3.876 -11.076 -2.086 1.00 0.00 C ATOM 850 CG GLU A 53 4.736 -10.929 -3.323 1.00 0.00 C ATOM 851 CD GLU A 53 4.689 -12.153 -4.211 1.00 0.00 C ATOM 852 OE1 GLU A 53 5.085 -13.247 -3.755 1.00 0.00 O ATOM 853 OE2 GLU A 53 4.265 -12.021 -5.374 1.00 0.00 O ATOM 0 H GLU A 53 3.186 -10.348 0.590 1.00 0.00 H new ATOM 0 HA GLU A 53 4.304 -9.008 -1.787 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.348 -11.785 -1.406 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.913 -11.499 -2.370 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.404 -10.060 -3.891 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.767 -10.740 -3.024 1.00 0.00 H new ATOM 860 N ILE A 54 1.987 -8.015 -1.704 1.00 0.00 N ATOM 861 CA ILE A 54 0.642 -7.461 -1.778 1.00 0.00 C ATOM 862 C ILE A 54 0.184 -7.372 -3.224 1.00 0.00 C ATOM 863 O ILE A 54 0.888 -6.833 -4.075 1.00 0.00 O ATOM 864 CB ILE A 54 0.556 -6.048 -1.154 1.00 0.00 C ATOM 865 CG1 ILE A 54 1.016 -6.068 0.302 1.00 0.00 C ATOM 866 CG2 ILE A 54 -0.873 -5.516 -1.250 1.00 0.00 C ATOM 867 CD1 ILE A 54 1.259 -4.690 0.871 1.00 0.00 C ATOM 0 H ILE A 54 2.733 -7.330 -1.821 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.002 -8.134 -1.212 1.00 0.00 H new ATOM 0 HB ILE A 54 1.218 -5.386 -1.712 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.264 -6.576 0.906 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.933 -6.652 0.378 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.921 -4.521 -0.808 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.172 -5.463 -2.297 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.547 -6.184 -0.714 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.583 -4.777 1.908 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.032 -4.187 0.290 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.337 -4.110 0.826 1.00 0.00 H new ATOM 879 N ASP A 55 -0.992 -7.897 -3.496 1.00 0.00 N ATOM 880 CA ASP A 55 -1.560 -7.835 -4.823 1.00 0.00 C ATOM 881 C ASP A 55 -2.535 -6.664 -4.894 1.00 0.00 C ATOM 882 O ASP A 55 -3.675 -6.756 -4.424 1.00 0.00 O ATOM 883 CB ASP A 55 -2.280 -9.143 -5.159 1.00 0.00 C ATOM 884 CG ASP A 55 -1.588 -10.375 -4.614 1.00 0.00 C ATOM 885 OD1 ASP A 55 -0.611 -10.844 -5.241 1.00 0.00 O ATOM 886 OD2 ASP A 55 -2.037 -10.893 -3.567 1.00 0.00 O ATOM 0 H ASP A 55 -1.576 -8.374 -2.809 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.761 -7.690 -5.550 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.295 -9.101 -4.763 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -2.364 -9.233 -6.242 1.00 0.00 H new ATOM 891 N PHE A 56 -2.092 -5.557 -5.480 1.00 0.00 N ATOM 892 CA PHE A 56 -2.899 -4.337 -5.510 1.00 0.00 C ATOM 893 C PHE A 56 -4.172 -4.539 -6.325 1.00 0.00 C ATOM 894 O PHE A 56 -5.105 -3.739 -6.258 1.00 0.00 O ATOM 895 CB PHE A 56 -2.106 -3.157 -6.078 1.00 0.00 C ATOM 896 CG PHE A 56 -2.374 -1.897 -5.316 1.00 0.00 C ATOM 897 CD1 PHE A 56 -1.868 -1.749 -4.051 1.00 0.00 C ATOM 898 CD2 PHE A 56 -3.154 -0.880 -5.835 1.00 0.00 C ATOM 899 CE1 PHE A 56 -2.123 -0.625 -3.318 1.00 0.00 C ATOM 900 CE2 PHE A 56 -3.410 0.262 -5.089 1.00 0.00 C ATOM 901 CZ PHE A 56 -2.887 0.371 -3.830 1.00 0.00 C ATOM 0 H PHE A 56 -1.185 -5.476 -5.939 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.172 -4.109 -4.480 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.040 -3.384 -6.044 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.368 -3.012 -7.126 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.258 -2.533 -3.627 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.567 -0.975 -6.828 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.713 -0.529 -2.323 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.016 1.057 -5.499 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.084 1.255 -3.241 1.00 0.00 H new ATOM 911 N GLU A 57 -4.212 -5.624 -7.076 1.00 0.00 N ATOM 912 CA GLU A 57 -5.331 -5.904 -7.950 1.00 0.00 C ATOM 913 C GLU A 57 -6.386 -6.757 -7.252 1.00 0.00 C ATOM 914 O GLU A 57 -7.471 -6.981 -7.792 1.00 0.00 O ATOM 915 CB GLU A 57 -4.837 -6.605 -9.214 1.00 0.00 C ATOM 916 CG GLU A 57 -3.771 -5.825 -9.964 1.00 0.00 C ATOM 917 CD GLU A 57 -4.283 -4.526 -10.551 1.00 0.00 C ATOM 918 OE1 GLU A 57 -4.441 -3.546 -9.802 1.00 0.00 O ATOM 919 OE2 GLU A 57 -4.504 -4.471 -11.779 1.00 0.00 O ATOM 0 H GLU A 57 -3.475 -6.329 -7.096 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.797 -4.956 -8.219 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.438 -7.583 -8.945 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.684 -6.778 -9.878 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -2.944 -5.609 -9.287 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.372 -6.446 -10.766 1.00 0.00 H new ATOM 926 N THR A 58 -6.075 -7.232 -6.055 1.00 0.00 N ATOM 927 CA THR A 58 -7.010 -8.060 -5.312 1.00 0.00 C ATOM 928 C THR A 58 -7.609 -7.292 -4.146 1.00 0.00 C ATOM 929 O THR A 58 -8.671 -7.653 -3.632 1.00 0.00 O ATOM 930 CB THR A 58 -6.327 -9.337 -4.799 1.00 0.00 C ATOM 931 OG1 THR A 58 -5.239 -9.011 -3.927 1.00 0.00 O ATOM 932 CG2 THR A 58 -5.810 -10.154 -5.966 1.00 0.00 C ATOM 0 H THR A 58 -5.188 -7.059 -5.581 1.00 0.00 H new ATOM 0 HA THR A 58 -7.812 -8.342 -5.994 1.00 0.00 H new ATOM 0 HB THR A 58 -7.063 -9.919 -4.244 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.899 -8.118 -4.147 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.327 -11.057 -5.592 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.642 -10.429 -6.615 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.088 -9.564 -6.531 1.00 0.00 H new ATOM 940 N LEU A 59 -6.935 -6.220 -3.747 1.00 0.00 N ATOM 941 CA LEU A 59 -7.387 -5.409 -2.628 1.00 0.00 C ATOM 942 C LEU A 59 -8.725 -4.774 -2.947 1.00 0.00 C ATOM 943 O LEU A 59 -8.948 -4.298 -4.063 1.00 0.00 O ATOM 944 CB LEU A 59 -6.379 -4.309 -2.316 1.00 0.00 C ATOM 945 CG LEU A 59 -4.921 -4.750 -2.290 1.00 0.00 C ATOM 946 CD1 LEU A 59 -4.011 -3.571 -2.006 1.00 0.00 C ATOM 947 CD2 LEU A 59 -4.724 -5.833 -1.252 1.00 0.00 C ATOM 0 H LEU A 59 -6.073 -5.894 -4.184 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.487 -6.061 -1.760 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.489 -3.517 -3.057 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.628 -3.875 -1.347 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.662 -5.152 -3.270 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.974 -3.907 -1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.138 -2.818 -2.784 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.266 -3.139 -1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.679 -6.141 -1.242 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.999 -5.450 -0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.352 -6.690 -1.496 1.00 0.00 H new ATOM 959 N LYS A 60 -9.614 -4.779 -1.975 1.00 0.00 N ATOM 960 CA LYS A 60 -10.901 -4.144 -2.135 1.00 0.00 C ATOM 961 C LYS A 60 -10.736 -2.622 -2.023 1.00 0.00 C ATOM 962 O LYS A 60 -9.871 -2.157 -1.274 1.00 0.00 O ATOM 963 CB LYS A 60 -11.878 -4.694 -1.088 1.00 0.00 C ATOM 964 CG LYS A 60 -11.699 -4.133 0.310 1.00 0.00 C ATOM 965 CD LYS A 60 -12.738 -4.703 1.265 1.00 0.00 C ATOM 966 CE LYS A 60 -12.278 -5.993 1.939 1.00 0.00 C ATOM 967 NZ LYS A 60 -11.636 -6.949 0.994 1.00 0.00 N ATOM 0 H LYS A 60 -9.466 -5.217 -1.066 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.313 -4.364 -3.120 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.896 -4.488 -1.419 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.770 -5.778 -1.045 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.699 -4.367 0.674 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.782 -3.047 0.283 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.968 -3.961 2.030 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.661 -4.894 0.718 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.574 -5.749 2.734 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.135 -6.476 2.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.376 -7.818 1.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.302 -7.181 0.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.781 -6.516 0.589 1.00 0.00 H new ATOM 981 N PRO A 61 -11.508 -1.836 -2.815 1.00 0.00 N ATOM 982 CA PRO A 61 -11.439 -0.368 -2.837 1.00 0.00 C ATOM 983 C PRO A 61 -11.119 0.277 -1.488 1.00 0.00 C ATOM 984 O PRO A 61 -10.247 1.145 -1.406 1.00 0.00 O ATOM 985 CB PRO A 61 -12.843 0.023 -3.276 1.00 0.00 C ATOM 986 CG PRO A 61 -13.309 -1.090 -4.150 1.00 0.00 C ATOM 987 CD PRO A 61 -12.495 -2.318 -3.802 1.00 0.00 C ATOM 0 HA PRO A 61 -10.631 -0.028 -3.484 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.502 0.150 -2.417 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -12.836 0.970 -3.816 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.371 -1.279 -3.996 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -13.181 -0.831 -5.201 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -13.122 -3.106 -3.385 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.006 -2.733 -4.683 1.00 0.00 H new ATOM 995 N SER A 62 -11.816 -0.153 -0.438 1.00 0.00 N ATOM 996 CA SER A 62 -11.652 0.438 0.886 1.00 0.00 C ATOM 997 C SER A 62 -10.203 0.350 1.362 1.00 0.00 C ATOM 998 O SER A 62 -9.663 1.321 1.889 1.00 0.00 O ATOM 999 CB SER A 62 -12.585 -0.236 1.893 1.00 0.00 C ATOM 1000 OG SER A 62 -12.375 -1.633 1.926 1.00 0.00 O ATOM 0 H SER A 62 -12.500 -0.909 -0.480 1.00 0.00 H new ATOM 0 HA SER A 62 -11.916 1.493 0.813 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.418 0.183 2.885 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.622 -0.027 1.629 1.00 0.00 H new ATOM 0 HG SER A 62 -12.577 -1.973 2.823 1.00 0.00 H new ATOM 1006 N THR A 63 -9.571 -0.801 1.146 1.00 0.00 N ATOM 1007 CA THR A 63 -8.187 -1.006 1.555 1.00 0.00 C ATOM 1008 C THR A 63 -7.283 -0.066 0.796 1.00 0.00 C ATOM 1009 O THR A 63 -6.520 0.676 1.395 1.00 0.00 O ATOM 1010 CB THR A 63 -7.723 -2.458 1.327 1.00 0.00 C ATOM 1011 OG1 THR A 63 -8.772 -3.354 1.710 1.00 0.00 O ATOM 1012 CG2 THR A 63 -6.474 -2.760 2.140 1.00 0.00 C ATOM 0 H THR A 63 -9.998 -1.607 0.689 1.00 0.00 H new ATOM 0 HA THR A 63 -8.130 -0.801 2.624 1.00 0.00 H new ATOM 0 HB THR A 63 -7.487 -2.589 0.271 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.550 -4.262 1.417 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.165 -3.790 1.963 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.673 -2.084 1.841 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.688 -2.622 3.200 1.00 0.00 H new ATOM 1020 N LEU A 64 -7.427 -0.066 -0.521 1.00 0.00 N ATOM 1021 CA LEU A 64 -6.607 0.770 -1.391 1.00 0.00 C ATOM 1022 C LEU A 64 -6.726 2.236 -0.998 1.00 0.00 C ATOM 1023 O LEU A 64 -5.763 2.990 -1.070 1.00 0.00 O ATOM 1024 CB LEU A 64 -7.041 0.571 -2.846 1.00 0.00 C ATOM 1025 CG LEU A 64 -7.111 -0.881 -3.277 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -8.296 -1.076 -4.173 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -5.852 -1.283 -4.004 1.00 0.00 C ATOM 0 H LEU A 64 -8.110 -0.640 -1.016 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.563 0.476 -1.283 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.020 1.029 -2.988 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.345 1.099 -3.497 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.211 -1.506 -2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.349 -2.119 -4.485 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.206 -0.811 -3.635 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.196 -0.439 -5.052 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.923 -2.328 -4.304 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.728 -0.659 -4.889 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.994 -1.153 -3.345 1.00 0.00 H new ATOM 1039 N ARG A 65 -7.905 2.627 -0.553 1.00 0.00 N ATOM 1040 CA ARG A 65 -8.134 4.003 -0.150 1.00 0.00 C ATOM 1041 C ARG A 65 -7.640 4.263 1.274 1.00 0.00 C ATOM 1042 O ARG A 65 -7.358 5.409 1.634 1.00 0.00 O ATOM 1043 CB ARG A 65 -9.609 4.360 -0.288 1.00 0.00 C ATOM 1044 CG ARG A 65 -10.115 4.297 -1.726 1.00 0.00 C ATOM 1045 CD ARG A 65 -9.199 5.058 -2.678 1.00 0.00 C ATOM 1046 NE ARG A 65 -9.853 5.355 -3.951 1.00 0.00 N ATOM 1047 CZ ARG A 65 -9.499 6.356 -4.762 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -8.568 7.233 -4.397 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -10.098 6.493 -5.940 1.00 0.00 N ATOM 0 H ARG A 65 -8.716 2.015 -0.461 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.558 4.646 -0.816 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.199 3.680 0.327 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.770 5.365 0.103 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -10.185 3.256 -2.042 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -11.121 4.714 -1.777 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.882 5.989 -2.208 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.299 4.471 -2.862 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.630 4.760 -4.239 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -8.114 7.146 -3.488 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.308 7.992 -5.027 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.825 5.835 -6.222 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.831 7.256 -6.562 1.00 0.00 H new ATOM 1063 N GLU A 66 -7.520 3.210 2.080 1.00 0.00 N ATOM 1064 CA GLU A 66 -6.927 3.338 3.404 1.00 0.00 C ATOM 1065 C GLU A 66 -5.424 3.469 3.251 1.00 0.00 C ATOM 1066 O GLU A 66 -4.786 4.310 3.885 1.00 0.00 O ATOM 1067 CB GLU A 66 -7.246 2.108 4.255 1.00 0.00 C ATOM 1068 CG GLU A 66 -8.691 2.003 4.711 1.00 0.00 C ATOM 1069 CD GLU A 66 -9.122 3.161 5.578 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -8.763 3.184 6.774 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -9.827 4.055 5.074 1.00 0.00 O ATOM 0 H GLU A 66 -7.824 2.266 1.840 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.337 4.218 3.899 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.995 1.214 3.684 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.602 2.116 5.135 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.339 1.950 3.836 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.825 1.073 5.264 1.00 0.00 H new ATOM 1078 N LEU A 67 -4.878 2.624 2.381 1.00 0.00 N ATOM 1079 CA LEU A 67 -3.459 2.625 2.071 1.00 0.00 C ATOM 1080 C LEU A 67 -3.022 4.029 1.630 1.00 0.00 C ATOM 1081 O LEU A 67 -1.982 4.543 2.046 1.00 0.00 O ATOM 1082 CB LEU A 67 -3.181 1.627 0.944 1.00 0.00 C ATOM 1083 CG LEU A 67 -3.807 0.262 1.137 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -3.420 -0.670 0.009 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -3.416 -0.310 2.485 1.00 0.00 C ATOM 0 H LEU A 67 -5.412 1.919 1.872 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.898 2.337 2.960 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.544 2.048 0.007 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.103 1.506 0.843 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.892 0.369 1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.881 -1.645 0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.764 -0.256 -0.939 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.336 -0.781 -0.016 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.873 -1.292 2.610 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.332 -0.405 2.539 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.762 0.355 3.277 1.00 0.00 H new ATOM 1097 N GLU A 68 -3.859 4.635 0.783 1.00 0.00 N ATOM 1098 CA GLU A 68 -3.607 5.949 0.201 1.00 0.00 C ATOM 1099 C GLU A 68 -3.527 7.063 1.255 1.00 0.00 C ATOM 1100 O GLU A 68 -2.489 7.716 1.398 1.00 0.00 O ATOM 1101 CB GLU A 68 -4.711 6.281 -0.794 1.00 0.00 C ATOM 1102 CG GLU A 68 -4.527 7.625 -1.460 1.00 0.00 C ATOM 1103 CD GLU A 68 -5.520 7.881 -2.570 1.00 0.00 C ATOM 1104 OE1 GLU A 68 -6.736 7.683 -2.345 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -5.095 8.289 -3.669 1.00 0.00 O ATOM 0 H GLU A 68 -4.740 4.219 0.481 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.637 5.900 -0.294 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.747 5.505 -1.559 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.672 6.266 -0.279 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.620 8.410 -0.710 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.516 7.688 -1.864 1.00 0.00 H new ATOM 1112 N ARG A 69 -4.636 7.277 1.981 1.00 0.00 N ATOM 1113 CA ARG A 69 -4.717 8.313 3.032 1.00 0.00 C ATOM 1114 C ARG A 69 -3.598 8.136 4.028 1.00 0.00 C ATOM 1115 O ARG A 69 -3.130 9.095 4.651 1.00 0.00 O ATOM 1116 CB ARG A 69 -6.059 8.216 3.751 1.00 0.00 C ATOM 1117 CG ARG A 69 -6.205 9.213 4.881 1.00 0.00 C ATOM 1118 CD ARG A 69 -7.105 8.679 5.980 1.00 0.00 C ATOM 1119 NE ARG A 69 -6.654 7.378 6.480 1.00 0.00 N ATOM 1120 CZ ARG A 69 -7.383 6.264 6.425 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -8.579 6.277 5.849 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -6.911 5.134 6.940 1.00 0.00 N ATOM 0 H ARG A 69 -5.497 6.743 1.860 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.625 9.293 2.565 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.862 8.373 3.031 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.179 7.208 4.147 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.223 9.444 5.293 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.615 10.146 4.494 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -7.133 9.393 6.803 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.123 8.588 5.602 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.724 7.321 6.896 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.942 7.141 5.447 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.135 5.423 5.808 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -5.990 5.119 7.378 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.470 4.282 6.898 1.00 0.00 H new ATOM 1136 N TYR A 70 -3.147 6.915 4.139 1.00 0.00 N ATOM 1137 CA TYR A 70 -2.119 6.594 5.086 1.00 0.00 C ATOM 1138 C TYR A 70 -0.763 7.109 4.615 1.00 0.00 C ATOM 1139 O TYR A 70 -0.111 7.876 5.311 1.00 0.00 O ATOM 1140 CB TYR A 70 -2.049 5.091 5.321 1.00 0.00 C ATOM 1141 CG TYR A 70 -0.705 4.675 5.797 1.00 0.00 C ATOM 1142 CD1 TYR A 70 0.067 3.852 5.019 1.00 0.00 C ATOM 1143 CD2 TYR A 70 -0.184 5.159 6.990 1.00 0.00 C ATOM 1144 CE1 TYR A 70 1.324 3.514 5.400 1.00 0.00 C ATOM 1145 CE2 TYR A 70 1.083 4.816 7.391 1.00 0.00 C ATOM 1146 CZ TYR A 70 1.838 3.995 6.590 1.00 0.00 C ATOM 1147 OH TYR A 70 3.107 3.666 6.975 1.00 0.00 O ATOM 0 H TYR A 70 -3.478 6.126 3.583 1.00 0.00 H new ATOM 0 HA TYR A 70 -2.371 7.085 6.026 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -2.801 4.801 6.055 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -2.287 4.566 4.396 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.331 3.468 4.091 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -0.782 5.812 7.608 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.923 2.869 4.774 1.00 0.00 H new ATOM 0 HE2 TYR A 70 1.481 5.187 8.324 1.00 0.00 H new ATOM 0 HH TYR A 70 3.342 2.788 6.610 1.00 0.00 H new ATOM 1157 N VAL A 71 -0.330 6.690 3.439 1.00 0.00 N ATOM 1158 CA VAL A 71 1.003 7.038 2.978 1.00 0.00 C ATOM 1159 C VAL A 71 1.136 8.517 2.757 1.00 0.00 C ATOM 1160 O VAL A 71 2.169 9.094 3.061 1.00 0.00 O ATOM 1161 CB VAL A 71 1.395 6.295 1.701 1.00 0.00 C ATOM 1162 CG1 VAL A 71 1.384 4.819 1.959 1.00 0.00 C ATOM 1163 CG2 VAL A 71 0.459 6.609 0.554 1.00 0.00 C ATOM 0 H VAL A 71 -0.873 6.116 2.793 1.00 0.00 H new ATOM 0 HA VAL A 71 1.685 6.729 3.770 1.00 0.00 H new ATOM 0 HB VAL A 71 2.395 6.625 1.418 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.663 4.288 1.049 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.096 4.583 2.750 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.385 4.511 2.266 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.774 6.060 -0.333 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.556 6.315 0.821 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.484 7.679 0.347 1.00 0.00 H new ATOM 1173 N THR A 72 0.085 9.145 2.270 1.00 0.00 N ATOM 1174 CA THR A 72 0.129 10.567 2.060 1.00 0.00 C ATOM 1175 C THR A 72 0.249 11.283 3.407 1.00 0.00 C ATOM 1176 O THR A 72 0.748 12.391 3.475 1.00 0.00 O ATOM 1177 CB THR A 72 -1.090 11.075 1.257 1.00 0.00 C ATOM 1178 OG1 THR A 72 -0.859 12.417 0.809 1.00 0.00 O ATOM 1179 CG2 THR A 72 -2.357 11.033 2.089 1.00 0.00 C ATOM 0 H THR A 72 -0.795 8.696 2.017 1.00 0.00 H new ATOM 0 HA THR A 72 1.009 10.795 1.458 1.00 0.00 H new ATOM 0 HB THR A 72 -1.220 10.416 0.398 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.636 12.730 0.300 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.195 11.397 1.494 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.553 10.008 2.402 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.235 11.664 2.969 1.00 0.00 H new ATOM 1187 N SER A 73 -0.153 10.621 4.492 1.00 0.00 N ATOM 1188 CA SER A 73 0.005 11.198 5.816 1.00 0.00 C ATOM 1189 C SER A 73 1.481 11.172 6.216 1.00 0.00 C ATOM 1190 O SER A 73 1.963 12.043 6.942 1.00 0.00 O ATOM 1191 CB SER A 73 -0.851 10.441 6.834 1.00 0.00 C ATOM 1192 OG SER A 73 -0.160 9.331 7.383 1.00 0.00 O ATOM 0 H SER A 73 -0.584 9.697 4.476 1.00 0.00 H new ATOM 0 HA SER A 73 -0.334 12.234 5.798 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.146 11.118 7.636 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.767 10.097 6.354 1.00 0.00 H new ATOM 0 HG SER A 73 0.162 8.755 6.658 1.00 0.00 H new ATOM 1198 N CYS A 74 2.198 10.173 5.704 1.00 0.00 N ATOM 1199 CA CYS A 74 3.610 9.999 6.002 1.00 0.00 C ATOM 1200 C CYS A 74 4.474 10.800 5.034 1.00 0.00 C ATOM 1201 O CYS A 74 5.484 11.386 5.415 1.00 0.00 O ATOM 1202 CB CYS A 74 3.971 8.520 5.916 1.00 0.00 C ATOM 1203 SG CYS A 74 5.680 8.141 6.379 1.00 0.00 S ATOM 0 H CYS A 74 1.815 9.467 5.075 1.00 0.00 H new ATOM 0 HA CYS A 74 3.799 10.365 7.011 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.298 7.956 6.562 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.798 8.175 4.897 1.00 0.00 H new ATOM 0 HG CYS A 74 6.416 9.202 6.228 1.00 0.00 H new ATOM 1209 N LEU A 75 4.073 10.800 3.776 1.00 0.00 N ATOM 1210 CA LEU A 75 4.825 11.472 2.721 1.00 0.00 C ATOM 1211 C LEU A 75 4.614 12.986 2.747 1.00 0.00 C ATOM 1212 O LEU A 75 5.552 13.743 2.493 1.00 0.00 O ATOM 1213 CB LEU A 75 4.433 10.886 1.364 1.00 0.00 C ATOM 1214 CG LEU A 75 4.457 9.362 1.326 1.00 0.00 C ATOM 1215 CD1 LEU A 75 3.828 8.848 0.041 1.00 0.00 C ATOM 1216 CD2 LEU A 75 5.876 8.838 1.474 1.00 0.00 C ATOM 0 H LEU A 75 3.223 10.338 3.453 1.00 0.00 H new ATOM 0 HA LEU A 75 5.888 11.301 2.893 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.432 11.232 1.104 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.111 11.271 0.602 1.00 0.00 H new ATOM 0 HG LEU A 75 3.870 8.993 2.167 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.855 7.758 0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.793 9.186 -0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.384 9.231 -0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.867 7.748 1.444 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.491 9.218 0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.289 9.171 2.426 1.00 0.00 H new ATOM 1228 N ARG A 76 3.393 13.436 3.044 1.00 0.00 N ATOM 1229 CA ARG A 76 3.145 14.864 3.203 1.00 0.00 C ATOM 1230 C ARG A 76 3.928 15.392 4.400 1.00 0.00 C ATOM 1231 O ARG A 76 4.646 16.387 4.299 1.00 0.00 O ATOM 1232 CB ARG A 76 1.654 15.185 3.377 1.00 0.00 C ATOM 1233 CG ARG A 76 0.798 14.931 2.142 1.00 0.00 C ATOM 1234 CD ARG A 76 -0.597 15.513 2.309 1.00 0.00 C ATOM 1235 NE ARG A 76 -0.571 16.940 2.628 1.00 0.00 N ATOM 1236 CZ ARG A 76 -1.602 17.599 3.154 1.00 0.00 C ATOM 1237 NH1 ARG A 76 -2.746 16.968 3.397 1.00 0.00 N ATOM 1238 NH2 ARG A 76 -1.489 18.891 3.440 1.00 0.00 N ATOM 0 H ARG A 76 2.575 12.841 3.177 1.00 0.00 H new ATOM 0 HA ARG A 76 3.478 15.355 2.289 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.262 14.590 4.202 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.553 16.232 3.663 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.277 15.372 1.268 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.728 13.859 1.959 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.164 15.359 1.391 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.119 14.976 3.101 1.00 0.00 H new ATOM 0 HE ARG A 76 0.285 17.460 2.437 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.837 15.975 3.181 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.533 17.476 3.800 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.612 19.379 3.257 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.279 19.395 3.843 1.00 0.00 H new ATOM 1409 N TRP B 202 2.652 -5.585 -8.755 1.00 0.00 N ATOM 1410 CA TRP B 202 3.278 -5.110 -7.520 1.00 0.00 C ATOM 1411 C TRP B 202 3.677 -6.307 -6.657 1.00 0.00 C ATOM 1412 O TRP B 202 3.494 -6.325 -5.442 1.00 0.00 O ATOM 1413 CB TRP B 202 2.321 -4.161 -6.780 1.00 0.00 C ATOM 1414 CG TRP B 202 2.926 -3.438 -5.613 1.00 0.00 C ATOM 1415 CD1 TRP B 202 4.182 -2.906 -5.522 1.00 0.00 C ATOM 1416 CD2 TRP B 202 2.276 -3.147 -4.375 1.00 0.00 C ATOM 1417 NE1 TRP B 202 4.352 -2.309 -4.296 1.00 0.00 N ATOM 1418 CE2 TRP B 202 3.195 -2.444 -3.573 1.00 0.00 C ATOM 1419 CE3 TRP B 202 1.005 -3.416 -3.867 1.00 0.00 C ATOM 1420 CZ2 TRP B 202 2.878 -2.005 -2.290 1.00 0.00 C ATOM 1421 CZ3 TRP B 202 0.696 -2.978 -2.593 1.00 0.00 C ATOM 1422 CH2 TRP B 202 1.625 -2.281 -1.817 1.00 0.00 C ATOM 0 HA TRP B 202 4.183 -4.548 -7.752 1.00 0.00 H new ATOM 0 HB2 TRP B 202 1.943 -3.424 -7.489 1.00 0.00 H new ATOM 0 HB3 TRP B 202 1.463 -4.735 -6.429 1.00 0.00 H new ATOM 0 HD1 TRP B 202 4.931 -2.949 -6.299 1.00 0.00 H new ATOM 0 HE1 TRP B 202 5.200 -1.842 -3.976 1.00 0.00 H new ATOM 0 HE3 TRP B 202 0.278 -3.955 -4.456 1.00 0.00 H new ATOM 0 HZ2 TRP B 202 3.596 -1.466 -1.690 1.00 0.00 H new ATOM 0 HZ3 TRP B 202 -0.285 -3.179 -2.189 1.00 0.00 H new ATOM 0 HH2 TRP B 202 1.349 -1.954 -0.825 1.00 0.00 H new ATOM 1433 N THR B 203 4.240 -7.306 -7.319 1.00 0.00 N ATOM 1434 CA THR B 203 4.608 -8.554 -6.680 1.00 0.00 C ATOM 1435 C THR B 203 5.925 -8.436 -5.920 1.00 0.00 C ATOM 1436 O THR B 203 6.426 -7.327 -5.695 1.00 0.00 O ATOM 1437 CB THR B 203 4.713 -9.679 -7.722 1.00 0.00 C ATOM 1438 OG1 THR B 203 5.451 -9.212 -8.858 1.00 0.00 O ATOM 1439 CG2 THR B 203 3.333 -10.145 -8.157 1.00 0.00 C ATOM 0 H THR B 203 4.454 -7.271 -8.316 1.00 0.00 H new ATOM 0 HA THR B 203 3.823 -8.793 -5.962 1.00 0.00 H new ATOM 0 HB THR B 203 5.232 -10.525 -7.271 1.00 0.00 H new ATOM 0 HG1 THR B 203 5.519 -9.930 -9.521 1.00 0.00 H new ATOM 0 HG21 THR B 203 3.434 -10.941 -8.895 1.00 0.00 H new ATOM 0 HG22 THR B 203 2.786 -10.519 -7.292 1.00 0.00 H new ATOM 0 HG23 THR B 203 2.789 -9.309 -8.597 1.00 0.00 H new ATOM 1447 N LEU B 204 6.467 -9.585 -5.525 1.00 0.00 N ATOM 1448 CA LEU B 204 7.686 -9.658 -4.724 1.00 0.00 C ATOM 1449 C LEU B 204 8.791 -8.757 -5.264 1.00 0.00 C ATOM 1450 O LEU B 204 9.502 -8.130 -4.486 1.00 0.00 O ATOM 1451 CB LEU B 204 8.164 -11.113 -4.629 1.00 0.00 C ATOM 1452 CG LEU B 204 8.306 -11.857 -5.963 1.00 0.00 C ATOM 1453 CD1 LEU B 204 9.726 -11.758 -6.498 1.00 0.00 C ATOM 1454 CD2 LEU B 204 7.894 -13.308 -5.804 1.00 0.00 C ATOM 0 H LEU B 204 6.071 -10.497 -5.753 1.00 0.00 H new ATOM 0 HA LEU B 204 7.446 -9.293 -3.725 1.00 0.00 H new ATOM 0 HB2 LEU B 204 9.129 -11.126 -4.123 1.00 0.00 H new ATOM 0 HB3 LEU B 204 7.466 -11.665 -3.999 1.00 0.00 H new ATOM 0 HG LEU B 204 7.643 -11.384 -6.688 1.00 0.00 H new ATOM 0 HD11 LEU B 204 9.797 -12.295 -7.444 1.00 0.00 H new ATOM 0 HD12 LEU B 204 9.984 -10.711 -6.655 1.00 0.00 H new ATOM 0 HD13 LEU B 204 10.417 -12.198 -5.779 1.00 0.00 H new ATOM 0 HD21 LEU B 204 8.000 -13.823 -6.759 1.00 0.00 H new ATOM 0 HD22 LEU B 204 8.530 -13.788 -5.060 1.00 0.00 H new ATOM 0 HD23 LEU B 204 6.855 -13.358 -5.478 1.00 0.00 H new ATOM 1466 N GLU B 205 8.916 -8.683 -6.586 1.00 0.00 N ATOM 1467 CA GLU B 205 9.937 -7.852 -7.209 1.00 0.00 C ATOM 1468 C GLU B 205 9.860 -6.421 -6.687 1.00 0.00 C ATOM 1469 O GLU B 205 10.711 -5.984 -5.910 1.00 0.00 O ATOM 1470 CB GLU B 205 9.784 -7.866 -8.732 1.00 0.00 C ATOM 1471 CG GLU B 205 10.047 -9.226 -9.358 1.00 0.00 C ATOM 1472 CD GLU B 205 9.877 -9.218 -10.862 1.00 0.00 C ATOM 1473 OE1 GLU B 205 8.752 -9.479 -11.337 1.00 0.00 O ATOM 1474 OE2 GLU B 205 10.865 -8.950 -11.579 1.00 0.00 O ATOM 0 H GLU B 205 8.323 -9.188 -7.244 1.00 0.00 H new ATOM 0 HA GLU B 205 10.913 -8.263 -6.951 1.00 0.00 H new ATOM 0 HB2 GLU B 205 8.775 -7.546 -8.990 1.00 0.00 H new ATOM 0 HB3 GLU B 205 10.470 -7.138 -9.164 1.00 0.00 H new ATOM 0 HG2 GLU B 205 11.060 -9.545 -9.112 1.00 0.00 H new ATOM 0 HG3 GLU B 205 9.368 -9.959 -8.923 1.00 0.00 H new ATOM 1481 N ARG B 206 8.808 -5.719 -7.076 1.00 0.00 N ATOM 1482 CA ARG B 206 8.648 -4.319 -6.718 1.00 0.00 C ATOM 1483 C ARG B 206 8.511 -4.138 -5.206 1.00 0.00 C ATOM 1484 O ARG B 206 9.301 -3.425 -4.585 1.00 0.00 O ATOM 1485 CB ARG B 206 7.430 -3.727 -7.428 1.00 0.00 C ATOM 1486 CG ARG B 206 7.546 -3.722 -8.945 1.00 0.00 C ATOM 1487 CD ARG B 206 6.317 -3.102 -9.591 1.00 0.00 C ATOM 1488 NE ARG B 206 6.077 -1.745 -9.105 1.00 0.00 N ATOM 1489 CZ ARG B 206 4.871 -1.241 -8.851 1.00 0.00 C ATOM 1490 NH1 ARG B 206 3.775 -1.946 -9.119 1.00 0.00 N ATOM 1491 NH2 ARG B 206 4.762 -0.020 -8.345 1.00 0.00 N ATOM 0 H ARG B 206 8.049 -6.098 -7.642 1.00 0.00 H new ATOM 0 HA ARG B 206 9.545 -3.790 -7.040 1.00 0.00 H new ATOM 0 HB2 ARG B 206 6.544 -4.294 -7.143 1.00 0.00 H new ATOM 0 HB3 ARG B 206 7.280 -2.705 -7.081 1.00 0.00 H new ATOM 0 HG2 ARG B 206 8.435 -3.166 -9.242 1.00 0.00 H new ATOM 0 HG3 ARG B 206 7.673 -4.743 -9.306 1.00 0.00 H new ATOM 0 HD2 ARG B 206 6.445 -3.084 -10.673 1.00 0.00 H new ATOM 0 HD3 ARG B 206 5.445 -3.722 -9.384 1.00 0.00 H new ATOM 0 HE ARG B 206 6.887 -1.144 -8.950 1.00 0.00 H new ATOM 0 HH11 ARG B 206 3.855 -2.880 -9.522 1.00 0.00 H new ATOM 0 HH12 ARG B 206 2.855 -1.553 -8.921 1.00 0.00 H new ATOM 0 HH21 ARG B 206 5.600 0.529 -8.152 1.00 0.00 H new ATOM 0 HH22 ARG B 206 3.840 0.370 -8.149 1.00 0.00 H new ATOM 1505 N LEU B 207 7.528 -4.804 -4.615 1.00 0.00 N ATOM 1506 CA LEU B 207 7.226 -4.606 -3.205 1.00 0.00 C ATOM 1507 C LEU B 207 8.334 -5.138 -2.312 1.00 0.00 C ATOM 1508 O LEU B 207 9.003 -4.367 -1.636 1.00 0.00 O ATOM 1509 CB LEU B 207 5.897 -5.264 -2.830 1.00 0.00 C ATOM 1510 CG LEU B 207 5.535 -5.214 -1.337 1.00 0.00 C ATOM 1511 CD1 LEU B 207 5.615 -3.797 -0.791 1.00 0.00 C ATOM 1512 CD2 LEU B 207 4.145 -5.772 -1.127 1.00 0.00 C ATOM 0 H LEU B 207 6.930 -5.482 -5.087 1.00 0.00 H new ATOM 0 HA LEU B 207 7.146 -3.531 -3.046 1.00 0.00 H new ATOM 0 HB2 LEU B 207 5.100 -4.782 -3.396 1.00 0.00 H new ATOM 0 HB3 LEU B 207 5.926 -6.307 -3.145 1.00 0.00 H new ATOM 0 HG LEU B 207 6.258 -5.822 -0.794 1.00 0.00 H new ATOM 0 HD11 LEU B 207 5.353 -3.799 0.267 1.00 0.00 H new ATOM 0 HD12 LEU B 207 6.629 -3.417 -0.913 1.00 0.00 H new ATOM 0 HD13 LEU B 207 4.920 -3.157 -1.336 1.00 0.00 H new ATOM 0 HD21 LEU B 207 3.894 -5.734 -0.067 1.00 0.00 H new ATOM 0 HD22 LEU B 207 3.426 -5.179 -1.692 1.00 0.00 H new ATOM 0 HD23 LEU B 207 4.112 -6.806 -1.471 1.00 0.00 H new ATOM 1524 N LYS B 208 8.544 -6.446 -2.332 1.00 0.00 N ATOM 1525 CA LYS B 208 9.423 -7.089 -1.364 1.00 0.00 C ATOM 1526 C LYS B 208 10.853 -6.567 -1.464 1.00 0.00 C ATOM 1527 O LYS B 208 11.517 -6.380 -0.445 1.00 0.00 O ATOM 1528 CB LYS B 208 9.402 -8.610 -1.534 1.00 0.00 C ATOM 1529 CG LYS B 208 10.215 -9.347 -0.480 1.00 0.00 C ATOM 1530 CD LYS B 208 10.282 -10.841 -0.753 1.00 0.00 C ATOM 1531 CE LYS B 208 8.907 -11.487 -0.748 1.00 0.00 C ATOM 1532 NZ LYS B 208 8.998 -12.965 -0.862 1.00 0.00 N ATOM 0 H LYS B 208 8.119 -7.083 -3.006 1.00 0.00 H new ATOM 0 HA LYS B 208 9.045 -6.841 -0.372 1.00 0.00 H new ATOM 0 HB2 LYS B 208 8.370 -8.958 -1.495 1.00 0.00 H new ATOM 0 HB3 LYS B 208 9.787 -8.863 -2.522 1.00 0.00 H new ATOM 0 HG2 LYS B 208 11.225 -8.938 -0.450 1.00 0.00 H new ATOM 0 HG3 LYS B 208 9.774 -9.178 0.502 1.00 0.00 H new ATOM 0 HD2 LYS B 208 10.758 -11.011 -1.719 1.00 0.00 H new ATOM 0 HD3 LYS B 208 10.909 -11.319 0.000 1.00 0.00 H new ATOM 0 HE2 LYS B 208 8.384 -11.224 0.171 1.00 0.00 H new ATOM 0 HE3 LYS B 208 8.316 -11.093 -1.575 1.00 0.00 H new ATOM 0 HZ1 LYS B 208 8.107 -13.394 -0.539 1.00 0.00 H new ATOM 0 HZ2 LYS B 208 9.169 -13.227 -1.854 1.00 0.00 H new ATOM 0 HZ3 LYS B 208 9.782 -13.311 -0.273 1.00 0.00 H new ATOM 1546 N ARG B 209 11.327 -6.303 -2.678 1.00 0.00 N ATOM 1547 CA ARG B 209 12.707 -5.870 -2.845 1.00 0.00 C ATOM 1548 C ARG B 209 12.893 -4.417 -2.413 1.00 0.00 C ATOM 1549 O ARG B 209 13.970 -4.040 -1.951 1.00 0.00 O ATOM 1550 CB ARG B 209 13.187 -6.076 -4.281 1.00 0.00 C ATOM 1551 CG ARG B 209 13.608 -7.509 -4.591 1.00 0.00 C ATOM 1552 CD ARG B 209 12.444 -8.493 -4.533 1.00 0.00 C ATOM 1553 NE ARG B 209 12.870 -9.854 -4.850 1.00 0.00 N ATOM 1554 CZ ARG B 209 13.100 -10.802 -3.941 1.00 0.00 C ATOM 1555 NH1 ARG B 209 12.985 -10.536 -2.647 1.00 0.00 N ATOM 1556 NH2 ARG B 209 13.470 -12.013 -4.329 1.00 0.00 N ATOM 0 H ARG B 209 10.789 -6.379 -3.541 1.00 0.00 H new ATOM 0 HA ARG B 209 13.321 -6.493 -2.195 1.00 0.00 H new ATOM 0 HB2 ARG B 209 12.390 -5.785 -4.966 1.00 0.00 H new ATOM 0 HB3 ARG B 209 14.029 -5.411 -4.471 1.00 0.00 H new ATOM 0 HG2 ARG B 209 14.058 -7.544 -5.583 1.00 0.00 H new ATOM 0 HG3 ARG B 209 14.375 -7.819 -3.882 1.00 0.00 H new ATOM 0 HD2 ARG B 209 12.000 -8.473 -3.538 1.00 0.00 H new ATOM 0 HD3 ARG B 209 11.669 -8.182 -5.234 1.00 0.00 H new ATOM 0 HE ARG B 209 13.000 -10.095 -5.832 1.00 0.00 H new ATOM 0 HH11 ARG B 209 12.719 -9.600 -2.340 1.00 0.00 H new ATOM 0 HH12 ARG B 209 13.163 -11.267 -1.958 1.00 0.00 H new ATOM 0 HH21 ARG B 209 13.579 -12.219 -5.322 1.00 0.00 H new ATOM 0 HH22 ARG B 209 13.646 -12.739 -3.635 1.00 0.00 H new ATOM 1570 N LYS B 210 11.848 -3.604 -2.544 1.00 0.00 N ATOM 1571 CA LYS B 210 11.908 -2.220 -2.077 1.00 0.00 C ATOM 1572 C LYS B 210 11.445 -2.118 -0.623 1.00 0.00 C ATOM 1573 O LYS B 210 11.564 -1.069 0.009 1.00 0.00 O ATOM 1574 CB LYS B 210 11.071 -1.298 -2.975 1.00 0.00 C ATOM 1575 CG LYS B 210 11.777 -0.873 -4.261 1.00 0.00 C ATOM 1576 CD LYS B 210 12.100 -2.056 -5.161 1.00 0.00 C ATOM 1577 CE LYS B 210 12.921 -1.638 -6.372 1.00 0.00 C ATOM 1578 NZ LYS B 210 12.176 -0.712 -7.267 1.00 0.00 N ATOM 0 H LYS B 210 10.959 -3.874 -2.964 1.00 0.00 H new ATOM 0 HA LYS B 210 12.947 -1.894 -2.131 1.00 0.00 H new ATOM 0 HB2 LYS B 210 10.142 -1.806 -3.234 1.00 0.00 H new ATOM 0 HB3 LYS B 210 10.800 -0.406 -2.410 1.00 0.00 H new ATOM 0 HG2 LYS B 210 11.146 -0.169 -4.803 1.00 0.00 H new ATOM 0 HG3 LYS B 210 12.699 -0.348 -4.010 1.00 0.00 H new ATOM 0 HD2 LYS B 210 12.648 -2.807 -4.592 1.00 0.00 H new ATOM 0 HD3 LYS B 210 11.173 -2.523 -5.494 1.00 0.00 H new ATOM 0 HE2 LYS B 210 13.839 -1.155 -6.037 1.00 0.00 H new ATOM 0 HE3 LYS B 210 13.214 -2.525 -6.933 1.00 0.00 H new ATOM 0 HZ1 LYS B 210 12.749 -0.509 -8.111 1.00 0.00 H new ATOM 0 HZ2 LYS B 210 11.280 -1.154 -7.555 1.00 0.00 H new ATOM 0 HZ3 LYS B 210 11.978 0.175 -6.761 1.00 0.00 H new ATOM 1592 N TYR B 211 10.915 -3.217 -0.111 1.00 0.00 N ATOM 1593 CA TYR B 211 10.470 -3.302 1.274 1.00 0.00 C ATOM 1594 C TYR B 211 11.619 -3.779 2.158 1.00 0.00 C ATOM 1595 O TYR B 211 11.993 -3.121 3.130 1.00 0.00 O ATOM 1596 CB TYR B 211 9.285 -4.278 1.369 1.00 0.00 C ATOM 1597 CG TYR B 211 8.622 -4.378 2.729 1.00 0.00 C ATOM 1598 CD1 TYR B 211 7.285 -4.049 2.876 1.00 0.00 C ATOM 1599 CD2 TYR B 211 9.316 -4.816 3.852 1.00 0.00 C ATOM 1600 CE1 TYR B 211 6.656 -4.150 4.104 1.00 0.00 C ATOM 1601 CE2 TYR B 211 8.695 -4.914 5.083 1.00 0.00 C ATOM 1602 CZ TYR B 211 7.365 -4.580 5.203 1.00 0.00 C ATOM 1603 OH TYR B 211 6.738 -4.680 6.426 1.00 0.00 O ATOM 0 H TYR B 211 10.780 -4.077 -0.643 1.00 0.00 H new ATOM 0 HA TYR B 211 10.151 -2.318 1.617 1.00 0.00 H new ATOM 0 HB2 TYR B 211 8.532 -3.979 0.640 1.00 0.00 H new ATOM 0 HB3 TYR B 211 9.632 -5.270 1.080 1.00 0.00 H new ATOM 0 HD1 TYR B 211 6.724 -3.708 2.018 1.00 0.00 H new ATOM 0 HD2 TYR B 211 10.358 -5.084 3.761 1.00 0.00 H new ATOM 0 HE1 TYR B 211 5.612 -3.892 4.200 1.00 0.00 H new ATOM 0 HE2 TYR B 211 9.250 -5.251 5.946 1.00 0.00 H new ATOM 0 HH TYR B 211 6.642 -5.625 6.668 1.00 0.00 H new