USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 657 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 78 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 87 SER OG : rot 180:sc= -0.0101 USER MOD Set 2.1: A 71 MET CE :methyl 149:sc= -3.27! (180deg=-4.99!) USER MOD Set 2.2: A 74 THR OG1 : rot 80:sc= -0.804 USER MOD Set 3.1: A 30 CYS SG : rot -160:sc= -1.57 USER MOD Set 3.2: A 62 CYS SG : rot 114:sc= -0.905 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.559 X(o=-0.56,f=-0.48) USER MOD Single : A 18 GLN : amide:sc= -8.87! C(o=-8.9!,f=-23!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 33 ASN : amide:sc= -1.59 X(o=-1.6,f=-1.9!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.449) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -102:sc= 0.192 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN :FLIP amide:sc= -1.22 F(o=-1.7!,f=-1.2) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 77 TYR OH : rot -23:sc= 0.465 USER MOD Single : A 79 CYS SG : rot 117:sc= 0.407 USER MOD Single : A 81 CYS SG : rot -97:sc= -2.11! USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 THR OG1 : rot 60:sc= -0.138 USER MOD Single : A 89 MET CE :methyl -168:sc= -0.877 (180deg=-1.51) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 -13.966 15.847 4.668 1.00 0.00 N ATOM 81 CA ALA A 9 -13.338 16.002 3.362 1.00 0.00 C ATOM 82 C ALA A 9 -13.908 15.006 2.357 1.00 0.00 C ATOM 83 O ALA A 9 -14.213 13.865 2.705 1.00 0.00 O ATOM 84 CB ALA A 9 -11.830 15.833 3.477 1.00 0.00 C ATOM 0 HA ALA A 9 -13.553 17.008 3.001 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -11.375 15.951 2.494 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -11.430 16.587 4.155 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.604 14.840 3.864 1.00 0.00 H new ATOM 90 N ARG A 10 -14.051 15.445 1.111 1.00 0.00 N ATOM 91 CA ARG A 10 -14.587 14.593 0.057 1.00 0.00 C ATOM 92 C ARG A 10 -13.498 14.216 -0.943 1.00 0.00 C ATOM 93 O ARG A 10 -12.676 15.050 -1.326 1.00 0.00 O ATOM 94 CB ARG A 10 -15.735 15.299 -0.665 1.00 0.00 C ATOM 95 CG ARG A 10 -15.304 16.543 -1.425 1.00 0.00 C ATOM 96 CD ARG A 10 -16.361 16.976 -2.429 1.00 0.00 C ATOM 97 NE ARG A 10 -17.375 17.834 -1.820 1.00 0.00 N ATOM 98 CZ ARG A 10 -17.178 19.116 -1.535 1.00 0.00 C ATOM 99 NH1 ARG A 10 -16.011 19.687 -1.803 1.00 0.00 N ATOM 100 NH2 ARG A 10 -18.149 19.831 -0.982 1.00 0.00 N ATOM 0 H ARG A 10 -13.803 16.386 0.807 1.00 0.00 H new ATOM 0 HA ARG A 10 -14.964 13.681 0.519 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -16.199 14.601 -1.362 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -16.497 15.575 0.064 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.115 17.354 -0.721 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -14.366 16.347 -1.944 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -15.883 17.507 -3.252 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -16.840 16.094 -2.854 1.00 0.00 H new ATOM 0 HE ARG A 10 -18.284 17.426 -1.602 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -15.262 19.141 -2.229 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -15.863 20.672 -1.583 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -19.048 19.396 -0.775 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -17.996 20.816 -0.764 1.00 0.00 H new ATOM 114 N PHE A 11 -13.497 12.955 -1.363 1.00 0.00 N ATOM 115 CA PHE A 11 -12.509 12.468 -2.318 1.00 0.00 C ATOM 116 C PHE A 11 -12.807 12.985 -3.722 1.00 0.00 C ATOM 117 O PHE A 11 -13.676 12.457 -4.417 1.00 0.00 O ATOM 118 CB PHE A 11 -12.483 10.938 -2.320 1.00 0.00 C ATOM 119 CG PHE A 11 -11.804 10.348 -1.117 1.00 0.00 C ATOM 120 CD1 PHE A 11 -10.425 10.219 -1.077 1.00 0.00 C ATOM 121 CD2 PHE A 11 -12.545 9.922 -0.026 1.00 0.00 C ATOM 122 CE1 PHE A 11 -9.798 9.675 0.028 1.00 0.00 C ATOM 123 CE2 PHE A 11 -11.924 9.378 1.082 1.00 0.00 C ATOM 124 CZ PHE A 11 -10.548 9.256 1.110 1.00 0.00 C ATOM 0 H PHE A 11 -14.170 12.252 -1.057 1.00 0.00 H new ATOM 0 HA PHE A 11 -11.531 12.841 -2.014 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -13.506 10.565 -2.369 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -11.975 10.592 -3.220 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -9.833 10.547 -1.919 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -13.621 10.016 -0.042 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.723 9.578 0.046 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -12.513 9.049 1.925 1.00 0.00 H new ATOM 0 HZ PHE A 11 -10.060 8.834 1.976 1.00 0.00 H new ATOM 134 N ILE A 12 -12.083 14.020 -4.131 1.00 0.00 N ATOM 135 CA ILE A 12 -12.269 14.609 -5.451 1.00 0.00 C ATOM 136 C ILE A 12 -11.745 13.684 -6.544 1.00 0.00 C ATOM 137 O ILE A 12 -12.231 13.706 -7.675 1.00 0.00 O ATOM 138 CB ILE A 12 -11.561 15.972 -5.565 1.00 0.00 C ATOM 139 CG1 ILE A 12 -10.057 15.811 -5.333 1.00 0.00 C ATOM 140 CG2 ILE A 12 -12.153 16.961 -4.573 1.00 0.00 C ATOM 141 CD1 ILE A 12 -9.272 17.085 -5.551 1.00 0.00 C ATOM 0 H ILE A 12 -11.361 14.469 -3.567 1.00 0.00 H new ATOM 0 HA ILE A 12 -13.341 14.754 -5.583 1.00 0.00 H new ATOM 0 HB ILE A 12 -11.714 16.362 -6.571 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.890 15.461 -4.314 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.675 15.040 -6.002 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -11.642 17.919 -4.666 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -13.215 17.094 -4.781 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -12.027 16.579 -3.560 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -8.214 16.896 -5.369 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -9.408 17.425 -6.577 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.627 17.853 -4.864 1.00 0.00 H new ATOM 153 N GLU A 13 -10.753 12.869 -6.198 1.00 0.00 N ATOM 154 CA GLU A 13 -10.165 11.935 -7.150 1.00 0.00 C ATOM 155 C GLU A 13 -10.180 10.513 -6.598 1.00 0.00 C ATOM 156 O GLU A 13 -9.734 10.266 -5.477 1.00 0.00 O ATOM 157 CB GLU A 13 -8.730 12.349 -7.484 1.00 0.00 C ATOM 158 CG GLU A 13 -8.643 13.496 -8.477 1.00 0.00 C ATOM 159 CD GLU A 13 -7.384 13.443 -9.321 1.00 0.00 C ATOM 160 OE1 GLU A 13 -6.920 12.324 -9.623 1.00 0.00 O ATOM 161 OE2 GLU A 13 -6.863 14.520 -9.678 1.00 0.00 O ATOM 0 H GLU A 13 -10.340 12.837 -5.266 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.764 11.959 -8.060 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.220 12.636 -6.564 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.197 11.488 -7.888 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.515 13.473 -9.130 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.674 14.442 -7.937 1.00 0.00 H new ATOM 168 N ASP A 14 -10.697 9.582 -7.391 1.00 0.00 N ATOM 169 CA ASP A 14 -10.771 8.184 -6.983 1.00 0.00 C ATOM 170 C ASP A 14 -9.553 7.409 -7.475 1.00 0.00 C ATOM 171 O ASP A 14 -9.106 7.588 -8.608 1.00 0.00 O ATOM 172 CB ASP A 14 -12.051 7.540 -7.519 1.00 0.00 C ATOM 173 CG ASP A 14 -13.298 8.288 -7.090 1.00 0.00 C ATOM 174 OD1 ASP A 14 -13.620 8.264 -5.884 1.00 0.00 O ATOM 175 OD2 ASP A 14 -13.952 8.899 -7.962 1.00 0.00 O ATOM 0 H ASP A 14 -11.071 9.770 -8.321 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.785 8.150 -5.894 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -12.008 7.505 -8.608 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.110 6.510 -7.169 1.00 0.00 H new ATOM 180 N VAL A 15 -9.019 6.546 -6.616 1.00 0.00 N ATOM 181 CA VAL A 15 -7.852 5.744 -6.963 1.00 0.00 C ATOM 182 C VAL A 15 -8.132 4.865 -8.177 1.00 0.00 C ATOM 183 O VAL A 15 -9.286 4.582 -8.501 1.00 0.00 O ATOM 184 CB VAL A 15 -7.415 4.852 -5.786 1.00 0.00 C ATOM 185 CG1 VAL A 15 -7.135 5.695 -4.552 1.00 0.00 C ATOM 186 CG2 VAL A 15 -8.473 3.798 -5.494 1.00 0.00 C ATOM 0 H VAL A 15 -9.376 6.385 -5.674 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.047 6.440 -7.200 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.493 4.341 -6.063 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.828 5.047 -3.731 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.339 6.407 -4.770 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.038 6.236 -4.269 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.147 3.177 -4.660 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.413 4.287 -5.237 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.618 3.174 -6.376 1.00 0.00 H new ATOM 196 N LYS A 16 -7.068 4.433 -8.845 1.00 0.00 N ATOM 197 CA LYS A 16 -7.196 3.584 -10.023 1.00 0.00 C ATOM 198 C LYS A 16 -7.123 2.109 -9.641 1.00 0.00 C ATOM 199 O LYS A 16 -6.742 1.766 -8.523 1.00 0.00 O ATOM 200 CB LYS A 16 -6.099 3.914 -11.038 1.00 0.00 C ATOM 201 CG LYS A 16 -6.032 5.387 -11.403 1.00 0.00 C ATOM 202 CD LYS A 16 -7.388 5.916 -11.838 1.00 0.00 C ATOM 203 CE LYS A 16 -7.292 7.346 -12.348 1.00 0.00 C ATOM 204 NZ LYS A 16 -6.885 7.398 -13.779 1.00 0.00 N ATOM 0 H LYS A 16 -6.106 4.657 -8.590 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.169 3.777 -10.474 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.136 3.604 -10.633 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.266 3.331 -11.944 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.675 5.959 -10.547 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.309 5.531 -12.206 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.795 5.276 -12.621 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.082 5.874 -10.999 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.256 7.840 -12.226 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.572 7.899 -11.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.831 8.389 -14.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.954 6.949 -13.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.586 6.892 -14.358 1.00 0.00 H new ATOM 218 N ASN A 17 -7.488 1.240 -10.579 1.00 0.00 N ATOM 219 CA ASN A 17 -7.462 -0.198 -10.340 1.00 0.00 C ATOM 220 C ASN A 17 -6.035 -0.686 -10.112 1.00 0.00 C ATOM 221 O ASN A 17 -5.144 -0.427 -10.921 1.00 0.00 O ATOM 222 CB ASN A 17 -8.086 -0.944 -11.521 1.00 0.00 C ATOM 223 CG ASN A 17 -7.661 -0.367 -12.858 1.00 0.00 C ATOM 224 OD1 ASN A 17 -8.379 0.433 -13.458 1.00 0.00 O ATOM 225 ND2 ASN A 17 -6.488 -0.772 -13.331 1.00 0.00 N ATOM 0 H ASN A 17 -7.805 1.507 -11.511 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.044 -0.402 -9.442 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.801 -1.995 -11.475 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -9.172 -0.904 -11.440 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -6.149 -0.418 -14.226 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -5.926 -1.437 -12.799 1.00 0.00 H new ATOM 232 N GLN A 18 -5.826 -1.394 -9.007 1.00 0.00 N ATOM 233 CA GLN A 18 -4.507 -1.918 -8.673 1.00 0.00 C ATOM 234 C GLN A 18 -4.252 -3.243 -9.385 1.00 0.00 C ATOM 235 O GLN A 18 -5.102 -4.132 -9.383 1.00 0.00 O ATOM 236 CB GLN A 18 -4.376 -2.104 -7.161 1.00 0.00 C ATOM 237 CG GLN A 18 -2.960 -1.907 -6.644 1.00 0.00 C ATOM 238 CD GLN A 18 -2.675 -0.470 -6.254 1.00 0.00 C ATOM 239 OE1 GLN A 18 -1.924 -0.207 -5.315 1.00 0.00 O ATOM 240 NE2 GLN A 18 -3.276 0.469 -6.976 1.00 0.00 N ATOM 0 H GLN A 18 -6.553 -1.618 -8.328 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.762 -1.197 -9.008 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.039 -1.400 -6.658 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.715 -3.106 -6.896 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.800 -2.552 -5.780 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.251 -2.219 -7.411 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.891 0.205 -7.746 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.123 1.454 -6.761 1.00 0.00 H new ATOM 249 N GLU A 19 -3.076 -3.366 -9.992 1.00 0.00 N ATOM 250 CA GLU A 19 -2.710 -4.583 -10.708 1.00 0.00 C ATOM 251 C GLU A 19 -1.196 -4.766 -10.731 1.00 0.00 C ATOM 252 O GLU A 19 -0.484 -4.049 -11.433 1.00 0.00 O ATOM 253 CB GLU A 19 -3.252 -4.541 -12.138 1.00 0.00 C ATOM 254 CG GLU A 19 -2.955 -5.799 -12.938 1.00 0.00 C ATOM 255 CD GLU A 19 -3.240 -5.629 -14.418 1.00 0.00 C ATOM 256 OE1 GLU A 19 -4.424 -5.456 -14.777 1.00 0.00 O ATOM 257 OE2 GLU A 19 -2.281 -5.670 -15.216 1.00 0.00 O ATOM 0 H GLU A 19 -2.361 -2.639 -10.002 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.152 -5.430 -10.184 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.331 -4.388 -12.105 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.824 -3.682 -12.655 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.909 -6.073 -12.802 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.553 -6.623 -12.549 1.00 0.00 H new ATOM 264 N ALA A 20 -0.710 -5.732 -9.958 1.00 0.00 N ATOM 265 CA ALA A 20 0.719 -6.011 -9.891 1.00 0.00 C ATOM 266 C ALA A 20 0.981 -7.510 -9.780 1.00 0.00 C ATOM 267 O ALA A 20 0.076 -8.286 -9.475 1.00 0.00 O ATOM 268 CB ALA A 20 1.346 -5.275 -8.716 1.00 0.00 C ATOM 0 H ALA A 20 -1.285 -6.334 -9.369 1.00 0.00 H new ATOM 0 HA ALA A 20 1.177 -5.656 -10.814 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.413 -5.493 -8.678 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.198 -4.202 -8.838 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.876 -5.603 -7.789 1.00 0.00 H new ATOM 274 N ARG A 21 2.223 -7.908 -10.030 1.00 0.00 N ATOM 275 CA ARG A 21 2.603 -9.314 -9.959 1.00 0.00 C ATOM 276 C ARG A 21 2.903 -9.725 -8.521 1.00 0.00 C ATOM 277 O ARG A 21 3.250 -8.890 -7.687 1.00 0.00 O ATOM 278 CB ARG A 21 3.825 -9.579 -10.842 1.00 0.00 C ATOM 279 CG ARG A 21 3.517 -9.558 -12.330 1.00 0.00 C ATOM 280 CD ARG A 21 4.482 -10.436 -13.111 1.00 0.00 C ATOM 281 NE ARG A 21 4.698 -9.940 -14.467 1.00 0.00 N ATOM 282 CZ ARG A 21 5.744 -10.275 -15.215 1.00 0.00 C ATOM 283 NH1 ARG A 21 6.664 -11.103 -14.740 1.00 0.00 N ATOM 284 NH2 ARG A 21 5.871 -9.782 -16.440 1.00 0.00 N ATOM 0 H ARG A 21 2.984 -7.277 -10.284 1.00 0.00 H new ATOM 0 HA ARG A 21 1.765 -9.909 -10.321 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.587 -8.830 -10.627 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.248 -10.549 -10.581 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.496 -9.901 -12.496 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.574 -8.534 -12.700 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.436 -10.482 -12.586 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.092 -11.453 -13.155 1.00 0.00 H new ATOM 0 HE ARG A 21 4.008 -9.301 -14.862 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.570 -11.484 -13.799 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.466 -11.359 -15.316 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.165 -9.145 -16.809 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.674 -10.040 -17.013 1.00 0.00 H new ATOM 298 N GLU A 22 2.766 -11.017 -8.239 1.00 0.00 N ATOM 299 CA GLU A 22 3.021 -11.537 -6.901 1.00 0.00 C ATOM 300 C GLU A 22 4.428 -11.176 -6.435 1.00 0.00 C ATOM 301 O GLU A 22 5.382 -11.224 -7.211 1.00 0.00 O ATOM 302 CB GLU A 22 2.838 -13.056 -6.877 1.00 0.00 C ATOM 303 CG GLU A 22 1.423 -13.494 -6.539 1.00 0.00 C ATOM 304 CD GLU A 22 1.319 -14.985 -6.282 1.00 0.00 C ATOM 305 OE1 GLU A 22 1.573 -15.769 -7.221 1.00 0.00 O ATOM 306 OE2 GLU A 22 0.984 -15.368 -5.141 1.00 0.00 O ATOM 0 H GLU A 22 2.480 -11.722 -8.919 1.00 0.00 H new ATOM 0 HA GLU A 22 2.303 -11.081 -6.219 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.112 -13.462 -7.851 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.526 -13.485 -6.148 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.080 -12.952 -5.657 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.757 -13.223 -7.359 1.00 0.00 H new ATOM 313 N GLY A 23 4.549 -10.813 -5.162 1.00 0.00 N ATOM 314 CA GLY A 23 5.843 -10.447 -4.614 1.00 0.00 C ATOM 315 C GLY A 23 6.181 -8.989 -4.850 1.00 0.00 C ATOM 316 O GLY A 23 7.241 -8.517 -4.441 1.00 0.00 O ATOM 0 H GLY A 23 3.774 -10.766 -4.500 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.851 -10.650 -3.543 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.614 -11.073 -5.063 1.00 0.00 H new ATOM 320 N ALA A 24 5.279 -8.274 -5.514 1.00 0.00 N ATOM 321 CA ALA A 24 5.487 -6.860 -5.803 1.00 0.00 C ATOM 322 C ALA A 24 4.847 -5.981 -4.735 1.00 0.00 C ATOM 323 O ALA A 24 4.238 -6.480 -3.787 1.00 0.00 O ATOM 324 CB ALA A 24 4.930 -6.515 -7.177 1.00 0.00 C ATOM 0 H ALA A 24 4.397 -8.650 -5.862 1.00 0.00 H new ATOM 0 HA ALA A 24 6.560 -6.668 -5.799 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.092 -5.456 -7.380 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.437 -7.112 -7.935 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.862 -6.730 -7.201 1.00 0.00 H new ATOM 330 N THR A 25 4.988 -4.668 -4.892 1.00 0.00 N ATOM 331 CA THR A 25 4.425 -3.719 -3.940 1.00 0.00 C ATOM 332 C THR A 25 3.380 -2.829 -4.603 1.00 0.00 C ATOM 333 O THR A 25 3.708 -1.991 -5.443 1.00 0.00 O ATOM 334 CB THR A 25 5.519 -2.831 -3.318 1.00 0.00 C ATOM 335 OG1 THR A 25 6.469 -3.642 -2.618 1.00 0.00 O ATOM 336 CG2 THR A 25 4.913 -1.813 -2.364 1.00 0.00 C ATOM 0 H THR A 25 5.488 -4.238 -5.670 1.00 0.00 H new ATOM 0 HA THR A 25 3.952 -4.305 -3.152 1.00 0.00 H new ATOM 0 HB THR A 25 6.022 -2.296 -4.123 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.162 -3.070 -2.227 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.705 -1.198 -1.937 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.213 -1.178 -2.906 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.386 -2.333 -1.564 1.00 0.00 H new ATOM 344 N ALA A 26 2.121 -3.016 -4.220 1.00 0.00 N ATOM 345 CA ALA A 26 1.029 -2.228 -4.776 1.00 0.00 C ATOM 346 C ALA A 26 1.137 -0.766 -4.356 1.00 0.00 C ATOM 347 O ALA A 26 1.795 -0.441 -3.367 1.00 0.00 O ATOM 348 CB ALA A 26 -0.311 -2.805 -4.344 1.00 0.00 C ATOM 0 H ALA A 26 1.833 -3.707 -3.527 1.00 0.00 H new ATOM 0 HA ALA A 26 1.099 -2.273 -5.863 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.118 -2.206 -4.767 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.396 -3.832 -4.699 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.380 -2.790 -3.256 1.00 0.00 H new ATOM 354 N VAL A 27 0.488 0.112 -5.114 1.00 0.00 N ATOM 355 CA VAL A 27 0.512 1.540 -4.820 1.00 0.00 C ATOM 356 C VAL A 27 -0.838 2.184 -5.113 1.00 0.00 C ATOM 357 O VAL A 27 -1.256 2.280 -6.268 1.00 0.00 O ATOM 358 CB VAL A 27 1.601 2.263 -5.635 1.00 0.00 C ATOM 359 CG1 VAL A 27 1.589 3.755 -5.337 1.00 0.00 C ATOM 360 CG2 VAL A 27 2.969 1.664 -5.346 1.00 0.00 C ATOM 0 H VAL A 27 -0.061 -0.140 -5.936 1.00 0.00 H new ATOM 0 HA VAL A 27 0.737 1.641 -3.758 1.00 0.00 H new ATOM 0 HB VAL A 27 1.387 2.127 -6.695 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.365 4.249 -5.922 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.616 4.171 -5.600 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.777 3.916 -4.275 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.726 2.187 -5.930 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.195 1.767 -4.285 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.968 0.608 -5.616 1.00 0.00 H new ATOM 370 N LEU A 28 -1.518 2.625 -4.060 1.00 0.00 N ATOM 371 CA LEU A 28 -2.823 3.261 -4.203 1.00 0.00 C ATOM 372 C LEU A 28 -2.744 4.747 -3.870 1.00 0.00 C ATOM 373 O LEU A 28 -2.497 5.123 -2.724 1.00 0.00 O ATOM 374 CB LEU A 28 -3.848 2.577 -3.297 1.00 0.00 C ATOM 375 CG LEU A 28 -4.429 1.261 -3.814 1.00 0.00 C ATOM 376 CD1 LEU A 28 -4.802 0.350 -2.655 1.00 0.00 C ATOM 377 CD2 LEU A 28 -5.639 1.523 -4.699 1.00 0.00 C ATOM 0 H LEU A 28 -1.187 2.554 -3.098 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.139 3.157 -5.241 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.381 2.390 -2.330 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.671 3.271 -3.124 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.668 0.761 -4.412 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.214 -0.582 -3.043 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.914 0.135 -2.061 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.546 0.843 -2.030 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.039 0.575 -5.058 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.404 2.046 -4.124 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.342 2.137 -5.549 1.00 0.00 H new ATOM 389 N GLN A 29 -2.957 5.587 -4.878 1.00 0.00 N ATOM 390 CA GLN A 29 -2.911 7.032 -4.690 1.00 0.00 C ATOM 391 C GLN A 29 -4.300 7.645 -4.836 1.00 0.00 C ATOM 392 O GLN A 29 -5.148 7.120 -5.559 1.00 0.00 O ATOM 393 CB GLN A 29 -1.952 7.668 -5.698 1.00 0.00 C ATOM 394 CG GLN A 29 -0.495 7.306 -5.463 1.00 0.00 C ATOM 395 CD GLN A 29 0.431 7.907 -6.502 1.00 0.00 C ATOM 396 OE1 GLN A 29 0.202 9.017 -6.986 1.00 0.00 O ATOM 397 NE2 GLN A 29 1.484 7.177 -6.851 1.00 0.00 N ATOM 0 H GLN A 29 -3.163 5.292 -5.832 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.551 7.230 -3.681 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.237 7.358 -6.703 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.060 8.752 -5.656 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.195 7.649 -4.473 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.388 6.221 -5.471 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.635 6.263 -6.424 1.00 0.00 H new ATOM 0 HE22 GLN A 29 2.142 7.530 -7.546 1.00 0.00 H new ATOM 406 N CYS A 30 -4.527 8.756 -4.145 1.00 0.00 N ATOM 407 CA CYS A 30 -5.814 9.440 -4.196 1.00 0.00 C ATOM 408 C CYS A 30 -5.655 10.923 -3.878 1.00 0.00 C ATOM 409 O CYS A 30 -4.551 11.394 -3.609 1.00 0.00 O ATOM 410 CB CYS A 30 -6.795 8.797 -3.215 1.00 0.00 C ATOM 411 SG CYS A 30 -6.675 9.435 -1.527 1.00 0.00 S ATOM 0 H CYS A 30 -3.836 9.203 -3.542 1.00 0.00 H new ATOM 0 HA CYS A 30 -6.209 9.345 -5.208 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.811 8.952 -3.579 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.623 7.721 -3.198 1.00 0.00 H new ATOM 0 HG CYS A 30 -7.207 8.583 -0.702 1.00 0.00 H new ATOM 417 N GLU A 31 -6.766 11.653 -3.914 1.00 0.00 N ATOM 418 CA GLU A 31 -6.749 13.083 -3.632 1.00 0.00 C ATOM 419 C GLU A 31 -7.992 13.499 -2.850 1.00 0.00 C ATOM 420 O GLU A 31 -9.059 12.900 -2.994 1.00 0.00 O ATOM 421 CB GLU A 31 -6.661 13.881 -4.934 1.00 0.00 C ATOM 422 CG GLU A 31 -5.946 15.214 -4.785 1.00 0.00 C ATOM 423 CD GLU A 31 -5.484 15.781 -6.113 1.00 0.00 C ATOM 424 OE1 GLU A 31 -5.105 14.986 -6.998 1.00 0.00 O ATOM 425 OE2 GLU A 31 -5.503 17.020 -6.267 1.00 0.00 O ATOM 0 H GLU A 31 -7.688 11.277 -4.136 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.870 13.297 -3.023 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.143 13.282 -5.683 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.669 14.059 -5.310 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.613 15.928 -4.302 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.085 15.089 -4.129 1.00 0.00 H new ATOM 432 N LEU A 32 -7.846 14.528 -2.023 1.00 0.00 N ATOM 433 CA LEU A 32 -8.957 15.025 -1.218 1.00 0.00 C ATOM 434 C LEU A 32 -9.230 16.496 -1.515 1.00 0.00 C ATOM 435 O LEU A 32 -8.328 17.239 -1.899 1.00 0.00 O ATOM 436 CB LEU A 32 -8.655 14.841 0.271 1.00 0.00 C ATOM 437 CG LEU A 32 -8.598 13.397 0.771 1.00 0.00 C ATOM 438 CD1 LEU A 32 -7.664 13.282 1.965 1.00 0.00 C ATOM 439 CD2 LEU A 32 -9.991 12.902 1.131 1.00 0.00 C ATOM 0 H LEU A 32 -6.970 15.034 -1.892 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.847 14.451 -1.476 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.699 15.318 0.489 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.415 15.373 0.844 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.208 12.770 -0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.636 12.247 2.307 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.661 13.595 1.674 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.024 13.921 2.771 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.931 11.873 1.485 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.409 13.532 1.916 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.632 12.946 0.250 1.00 0.00 H new ATOM 451 N ASN A 33 -10.480 16.909 -1.333 1.00 0.00 N ATOM 452 CA ASN A 33 -10.871 18.292 -1.580 1.00 0.00 C ATOM 453 C ASN A 33 -10.297 19.219 -0.513 1.00 0.00 C ATOM 454 O ASN A 33 -10.337 20.441 -0.651 1.00 0.00 O ATOM 455 CB ASN A 33 -12.396 18.415 -1.611 1.00 0.00 C ATOM 456 CG ASN A 33 -12.873 19.798 -1.214 1.00 0.00 C ATOM 457 OD1 ASN A 33 -12.517 20.794 -1.844 1.00 0.00 O ATOM 458 ND2 ASN A 33 -13.683 19.866 -0.164 1.00 0.00 N ATOM 0 H ASN A 33 -11.239 16.306 -1.016 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.469 18.589 -2.549 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -12.756 18.183 -2.613 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -12.831 17.677 -0.938 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.036 20.770 0.150 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -13.952 19.014 0.328 1.00 0.00 H new ATOM 465 N SER A 34 -9.762 18.628 0.551 1.00 0.00 N ATOM 466 CA SER A 34 -9.183 19.400 1.644 1.00 0.00 C ATOM 467 C SER A 34 -8.280 18.525 2.509 1.00 0.00 C ATOM 468 O SER A 34 -8.590 17.363 2.771 1.00 0.00 O ATOM 469 CB SER A 34 -10.288 20.018 2.503 1.00 0.00 C ATOM 470 OG SER A 34 -9.773 21.038 3.341 1.00 0.00 O ATOM 0 H SER A 34 -9.718 17.617 0.679 1.00 0.00 H new ATOM 0 HA SER A 34 -8.580 20.198 1.211 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.066 20.430 1.860 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.755 19.244 3.112 1.00 0.00 H new ATOM 0 HG SER A 34 -10.499 21.418 3.878 1.00 0.00 H new ATOM 476 N ALA A 35 -7.162 19.093 2.948 1.00 0.00 N ATOM 477 CA ALA A 35 -6.214 18.366 3.784 1.00 0.00 C ATOM 478 C ALA A 35 -6.935 17.569 4.866 1.00 0.00 C ATOM 479 O ALA A 35 -7.634 18.135 5.706 1.00 0.00 O ATOM 480 CB ALA A 35 -5.218 19.330 4.413 1.00 0.00 C ATOM 0 H ALA A 35 -6.890 20.054 2.739 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.673 17.663 3.150 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.516 18.774 5.035 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.672 19.853 3.628 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.752 20.055 5.028 1.00 0.00 H new ATOM 486 N ALA A 36 -6.762 16.251 4.837 1.00 0.00 N ATOM 487 CA ALA A 36 -7.396 15.376 5.816 1.00 0.00 C ATOM 488 C ALA A 36 -6.784 13.980 5.782 1.00 0.00 C ATOM 489 O ALA A 36 -6.286 13.519 4.754 1.00 0.00 O ATOM 490 CB ALA A 36 -8.895 15.304 5.566 1.00 0.00 C ATOM 0 H ALA A 36 -6.189 15.766 4.147 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.224 15.795 6.807 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.356 14.647 6.304 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.326 16.302 5.649 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.079 14.911 4.566 1.00 0.00 H new ATOM 496 N PRO A 37 -6.819 13.289 6.931 1.00 0.00 N ATOM 497 CA PRO A 37 -6.272 11.935 7.058 1.00 0.00 C ATOM 498 C PRO A 37 -7.097 10.903 6.298 1.00 0.00 C ATOM 499 O PRO A 37 -8.127 11.229 5.708 1.00 0.00 O ATOM 500 CB PRO A 37 -6.335 11.667 8.564 1.00 0.00 C ATOM 501 CG PRO A 37 -7.430 12.547 9.060 1.00 0.00 C ATOM 502 CD PRO A 37 -7.397 13.776 8.195 1.00 0.00 C ATOM 0 HA PRO A 37 -5.268 11.860 6.640 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.546 10.618 8.771 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.387 11.903 9.048 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -8.395 12.046 8.990 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.280 12.804 10.109 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.394 14.190 8.047 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.787 14.563 8.639 1.00 0.00 H new ATOM 510 N VAL A 38 -6.638 9.655 6.316 1.00 0.00 N ATOM 511 CA VAL A 38 -7.335 8.574 5.630 1.00 0.00 C ATOM 512 C VAL A 38 -7.097 7.238 6.324 1.00 0.00 C ATOM 513 O VAL A 38 -6.186 7.107 7.142 1.00 0.00 O ATOM 514 CB VAL A 38 -6.888 8.463 4.160 1.00 0.00 C ATOM 515 CG1 VAL A 38 -7.380 9.659 3.360 1.00 0.00 C ATOM 516 CG2 VAL A 38 -5.375 8.338 4.071 1.00 0.00 C ATOM 0 H VAL A 38 -5.786 9.368 6.798 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.398 8.812 5.663 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.330 7.563 3.732 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.054 9.563 2.324 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.469 9.698 3.396 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.970 10.575 3.786 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.077 8.261 3.025 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.910 9.218 4.516 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.051 7.446 4.607 1.00 0.00 H new ATOM 526 N GLU A 39 -7.921 6.249 5.992 1.00 0.00 N ATOM 527 CA GLU A 39 -7.799 4.923 6.586 1.00 0.00 C ATOM 528 C GLU A 39 -7.912 3.837 5.519 1.00 0.00 C ATOM 529 O GLU A 39 -9.011 3.405 5.173 1.00 0.00 O ATOM 530 CB GLU A 39 -8.875 4.717 7.654 1.00 0.00 C ATOM 531 CG GLU A 39 -8.917 3.304 8.211 1.00 0.00 C ATOM 532 CD GLU A 39 -10.001 3.121 9.256 1.00 0.00 C ATOM 533 OE1 GLU A 39 -9.745 3.435 10.437 1.00 0.00 O ATOM 534 OE2 GLU A 39 -11.104 2.663 8.892 1.00 0.00 O ATOM 0 H GLU A 39 -8.679 6.341 5.316 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.816 4.851 7.052 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.701 5.416 8.472 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.849 4.960 7.228 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.082 2.600 7.395 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.949 3.062 8.650 1.00 0.00 H new ATOM 541 N TRP A 40 -6.768 3.403 5.002 1.00 0.00 N ATOM 542 CA TRP A 40 -6.738 2.369 3.974 1.00 0.00 C ATOM 543 C TRP A 40 -7.277 1.049 4.514 1.00 0.00 C ATOM 544 O TRP A 40 -6.719 0.477 5.451 1.00 0.00 O ATOM 545 CB TRP A 40 -5.312 2.178 3.456 1.00 0.00 C ATOM 546 CG TRP A 40 -4.794 3.359 2.691 1.00 0.00 C ATOM 547 CD1 TRP A 40 -3.990 4.354 3.167 1.00 0.00 C ATOM 548 CD2 TRP A 40 -5.048 3.667 1.316 1.00 0.00 C ATOM 549 NE1 TRP A 40 -3.728 5.264 2.170 1.00 0.00 N ATOM 550 CE2 TRP A 40 -4.365 4.864 1.025 1.00 0.00 C ATOM 551 CE3 TRP A 40 -5.784 3.048 0.302 1.00 0.00 C ATOM 552 CZ2 TRP A 40 -4.399 5.452 -0.237 1.00 0.00 C ATOM 553 CZ3 TRP A 40 -5.817 3.633 -0.949 1.00 0.00 C ATOM 554 CH2 TRP A 40 -5.127 4.825 -1.210 1.00 0.00 C ATOM 0 H TRP A 40 -5.850 3.751 5.278 1.00 0.00 H new ATOM 0 HA TRP A 40 -7.376 2.691 3.151 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.650 1.982 4.299 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -5.281 1.297 2.815 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -3.615 4.417 4.178 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.153 6.101 2.267 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -6.318 2.129 0.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.869 6.371 -0.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -6.384 3.164 -1.739 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -5.171 5.257 -2.199 1.00 0.00 H new ATOM 565 N ARG A 41 -8.364 0.571 3.918 1.00 0.00 N ATOM 566 CA ARG A 41 -8.978 -0.682 4.341 1.00 0.00 C ATOM 567 C ARG A 41 -8.700 -1.792 3.332 1.00 0.00 C ATOM 568 O ARG A 41 -7.956 -1.599 2.370 1.00 0.00 O ATOM 569 CB ARG A 41 -10.488 -0.502 4.514 1.00 0.00 C ATOM 570 CG ARG A 41 -10.864 0.692 5.375 1.00 0.00 C ATOM 571 CD ARG A 41 -12.373 0.849 5.482 1.00 0.00 C ATOM 572 NE ARG A 41 -12.754 1.745 6.570 1.00 0.00 N ATOM 573 CZ ARG A 41 -14.014 1.989 6.914 1.00 0.00 C ATOM 574 NH1 ARG A 41 -15.008 1.407 6.257 1.00 0.00 N ATOM 575 NH2 ARG A 41 -14.281 2.817 7.916 1.00 0.00 N ATOM 0 H ARG A 41 -8.838 1.032 3.141 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.541 -0.967 5.298 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -10.947 -0.390 3.532 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -10.904 -1.406 4.959 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.438 0.572 6.371 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -10.432 1.598 4.951 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -12.765 1.234 4.541 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -12.829 -0.128 5.641 1.00 0.00 H new ATOM 0 HE ARG A 41 -12.012 2.209 7.095 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -14.806 0.771 5.486 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -15.975 1.596 6.523 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -13.519 3.267 8.423 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -15.249 3.004 8.179 1.00 0.00 H new ATOM 589 N LYS A 42 -9.302 -2.955 3.558 1.00 0.00 N ATOM 590 CA LYS A 42 -9.120 -4.096 2.669 1.00 0.00 C ATOM 591 C LYS A 42 -10.116 -5.205 2.996 1.00 0.00 C ATOM 592 O LYS A 42 -10.298 -5.566 4.158 1.00 0.00 O ATOM 593 CB LYS A 42 -7.691 -4.632 2.778 1.00 0.00 C ATOM 594 CG LYS A 42 -7.351 -5.676 1.728 1.00 0.00 C ATOM 595 CD LYS A 42 -7.725 -7.074 2.190 1.00 0.00 C ATOM 596 CE LYS A 42 -7.837 -8.037 1.018 1.00 0.00 C ATOM 597 NZ LYS A 42 -8.757 -9.170 1.317 1.00 0.00 N ATOM 0 H LYS A 42 -9.920 -3.132 4.350 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.298 -3.760 1.648 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.992 -3.800 2.691 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.549 -5.065 3.768 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.876 -5.446 0.801 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.284 -5.638 1.508 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.975 -7.439 2.892 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.673 -7.040 2.726 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.196 -7.500 0.140 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.849 -8.426 0.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.462 -10.009 0.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.725 -9.384 2.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.727 -8.909 1.048 1.00 0.00 H new ATOM 611 N GLY A 43 -10.758 -5.742 1.963 1.00 0.00 N ATOM 612 CA GLY A 43 -11.726 -6.804 2.162 1.00 0.00 C ATOM 613 C GLY A 43 -12.481 -6.663 3.469 1.00 0.00 C ATOM 614 O GLY A 43 -12.581 -7.616 4.242 1.00 0.00 O ATOM 0 H GLY A 43 -10.625 -5.460 0.992 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -12.435 -6.805 1.334 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.214 -7.766 2.144 1.00 0.00 H new ATOM 618 N SER A 44 -13.013 -5.470 3.718 1.00 0.00 N ATOM 619 CA SER A 44 -13.759 -5.206 4.943 1.00 0.00 C ATOM 620 C SER A 44 -12.843 -5.275 6.161 1.00 0.00 C ATOM 621 O SER A 44 -13.132 -5.977 7.129 1.00 0.00 O ATOM 622 CB SER A 44 -14.904 -6.209 5.095 1.00 0.00 C ATOM 623 OG SER A 44 -15.768 -6.170 3.972 1.00 0.00 O ATOM 0 H SER A 44 -12.941 -4.671 3.088 1.00 0.00 H new ATOM 0 HA SER A 44 -14.174 -4.200 4.877 1.00 0.00 H new ATOM 0 HB2 SER A 44 -14.498 -7.214 5.211 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.469 -5.987 6.000 1.00 0.00 H new ATOM 0 HG SER A 44 -16.490 -6.821 4.092 1.00 0.00 H new ATOM 629 N GLU A 45 -11.736 -4.540 6.104 1.00 0.00 N ATOM 630 CA GLU A 45 -10.777 -4.518 7.203 1.00 0.00 C ATOM 631 C GLU A 45 -9.949 -3.237 7.176 1.00 0.00 C ATOM 632 O GLU A 45 -9.586 -2.740 6.109 1.00 0.00 O ATOM 633 CB GLU A 45 -9.855 -5.736 7.128 1.00 0.00 C ATOM 634 CG GLU A 45 -8.547 -5.467 6.404 1.00 0.00 C ATOM 635 CD GLU A 45 -7.846 -6.740 5.971 1.00 0.00 C ATOM 636 OE1 GLU A 45 -7.158 -7.353 6.814 1.00 0.00 O ATOM 637 OE2 GLU A 45 -7.985 -7.123 4.791 1.00 0.00 O ATOM 0 H GLU A 45 -11.482 -3.953 5.310 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.334 -4.550 8.139 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.637 -6.078 8.140 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.379 -6.547 6.623 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.742 -4.848 5.528 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.886 -4.897 7.056 1.00 0.00 H new ATOM 644 N THR A 46 -9.653 -2.705 8.358 1.00 0.00 N ATOM 645 CA THR A 46 -8.869 -1.482 8.471 1.00 0.00 C ATOM 646 C THR A 46 -7.377 -1.789 8.541 1.00 0.00 C ATOM 647 O THR A 46 -6.944 -2.640 9.319 1.00 0.00 O ATOM 648 CB THR A 46 -9.273 -0.669 9.716 1.00 0.00 C ATOM 649 OG1 THR A 46 -10.664 -0.334 9.651 1.00 0.00 O ATOM 650 CG2 THR A 46 -8.444 0.602 9.824 1.00 0.00 C ATOM 0 H THR A 46 -9.945 -3.103 9.251 1.00 0.00 H new ATOM 0 HA THR A 46 -9.074 -0.892 7.578 1.00 0.00 H new ATOM 0 HB THR A 46 -9.088 -1.280 10.599 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.763 0.598 9.366 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.747 1.160 10.710 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.388 0.342 9.902 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.602 1.216 8.937 1.00 0.00 H new ATOM 658 N LEU A 47 -6.596 -1.091 7.725 1.00 0.00 N ATOM 659 CA LEU A 47 -5.151 -1.288 7.695 1.00 0.00 C ATOM 660 C LEU A 47 -4.435 -0.195 8.481 1.00 0.00 C ATOM 661 O LEU A 47 -5.032 0.823 8.831 1.00 0.00 O ATOM 662 CB LEU A 47 -4.648 -1.305 6.250 1.00 0.00 C ATOM 663 CG LEU A 47 -5.455 -2.155 5.268 1.00 0.00 C ATOM 664 CD1 LEU A 47 -5.048 -1.848 3.835 1.00 0.00 C ATOM 665 CD2 LEU A 47 -5.273 -3.636 5.570 1.00 0.00 C ATOM 0 H LEU A 47 -6.939 -0.383 7.075 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.931 -2.248 8.161 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.629 -0.280 5.881 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.619 -1.663 6.249 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.510 -1.907 5.385 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.633 -2.463 3.151 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.230 -0.795 3.623 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.988 -2.067 3.703 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.854 -4.226 4.861 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.219 -3.898 5.482 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.615 -3.845 6.583 1.00 0.00 H new ATOM 677 N ARG A 48 -3.153 -0.413 8.755 1.00 0.00 N ATOM 678 CA ARG A 48 -2.355 0.555 9.499 1.00 0.00 C ATOM 679 C ARG A 48 -0.938 0.637 8.939 1.00 0.00 C ATOM 680 O ARG A 48 -0.432 -0.325 8.361 1.00 0.00 O ATOM 681 CB ARG A 48 -2.309 0.177 10.981 1.00 0.00 C ATOM 682 CG ARG A 48 -3.659 0.262 11.674 1.00 0.00 C ATOM 683 CD ARG A 48 -3.979 1.688 12.095 1.00 0.00 C ATOM 684 NE ARG A 48 -3.255 2.078 13.301 1.00 0.00 N ATOM 685 CZ ARG A 48 -3.358 3.277 13.865 1.00 0.00 C ATOM 686 NH1 ARG A 48 -4.151 4.197 13.334 1.00 0.00 N ATOM 687 NH2 ARG A 48 -2.666 3.557 14.962 1.00 0.00 N ATOM 0 H ARG A 48 -2.645 -1.251 8.473 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.825 1.533 9.395 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.925 -0.839 11.076 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.605 0.834 11.493 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.437 -0.104 11.004 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.661 -0.387 12.550 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.726 2.371 11.284 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.051 1.783 12.269 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.636 1.393 13.735 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.684 3.986 12.490 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -4.228 5.116 13.769 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -2.054 2.852 15.373 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -2.746 4.477 15.394 1.00 0.00 H new ATOM 701 N ASP A 49 -0.305 1.791 9.114 1.00 0.00 N ATOM 702 CA ASP A 49 1.054 1.999 8.627 1.00 0.00 C ATOM 703 C ASP A 49 2.060 1.227 9.476 1.00 0.00 C ATOM 704 O ASP A 49 2.194 1.472 10.674 1.00 0.00 O ATOM 705 CB ASP A 49 1.399 3.489 8.635 1.00 0.00 C ATOM 706 CG ASP A 49 1.927 3.954 9.978 1.00 0.00 C ATOM 707 OD1 ASP A 49 3.131 3.759 10.242 1.00 0.00 O ATOM 708 OD2 ASP A 49 1.134 4.513 10.765 1.00 0.00 O ATOM 0 H ASP A 49 -0.711 2.597 9.589 1.00 0.00 H new ATOM 0 HA ASP A 49 1.108 1.627 7.604 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.144 3.691 7.865 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.511 4.066 8.378 1.00 0.00 H new ATOM 713 N GLY A 50 2.764 0.291 8.846 1.00 0.00 N ATOM 714 CA GLY A 50 3.747 -0.503 9.559 1.00 0.00 C ATOM 715 C GLY A 50 4.941 -0.860 8.695 1.00 0.00 C ATOM 716 O GLY A 50 5.422 -0.035 7.918 1.00 0.00 O ATOM 0 H GLY A 50 2.671 0.069 7.855 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.088 0.048 10.435 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.278 -1.418 9.921 1.00 0.00 H new ATOM 720 N ASP A 51 5.421 -2.090 8.832 1.00 0.00 N ATOM 721 CA ASP A 51 6.567 -2.555 8.059 1.00 0.00 C ATOM 722 C ASP A 51 6.160 -2.877 6.625 1.00 0.00 C ATOM 723 O ASP A 51 6.747 -2.365 5.672 1.00 0.00 O ATOM 724 CB ASP A 51 7.187 -3.789 8.716 1.00 0.00 C ATOM 725 CG ASP A 51 8.678 -3.893 8.461 1.00 0.00 C ATOM 726 OD1 ASP A 51 9.389 -2.892 8.686 1.00 0.00 O ATOM 727 OD2 ASP A 51 9.133 -4.975 8.035 1.00 0.00 O ATOM 0 H ASP A 51 5.034 -2.784 9.472 1.00 0.00 H new ATOM 0 HA ASP A 51 7.307 -1.755 8.037 1.00 0.00 H new ATOM 0 HB2 ASP A 51 7.007 -3.754 9.790 1.00 0.00 H new ATOM 0 HB3 ASP A 51 6.693 -4.685 8.339 1.00 0.00 H new ATOM 732 N ARG A 52 5.151 -3.730 6.479 1.00 0.00 N ATOM 733 CA ARG A 52 4.667 -4.123 5.161 1.00 0.00 C ATOM 734 C ARG A 52 3.853 -3.000 4.524 1.00 0.00 C ATOM 735 O ARG A 52 3.992 -2.718 3.333 1.00 0.00 O ATOM 736 CB ARG A 52 3.814 -5.389 5.264 1.00 0.00 C ATOM 737 CG ARG A 52 4.624 -6.674 5.216 1.00 0.00 C ATOM 738 CD ARG A 52 3.794 -7.837 4.695 1.00 0.00 C ATOM 739 NE ARG A 52 3.083 -8.526 5.768 1.00 0.00 N ATOM 740 CZ ARG A 52 2.177 -9.475 5.558 1.00 0.00 C ATOM 741 NH1 ARG A 52 1.874 -9.845 4.322 1.00 0.00 N ATOM 742 NH2 ARG A 52 1.572 -10.055 6.587 1.00 0.00 N ATOM 0 H ARG A 52 4.653 -4.162 7.257 1.00 0.00 H new ATOM 0 HA ARG A 52 5.532 -4.326 4.530 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.248 -5.361 6.195 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.089 -5.396 4.450 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.495 -6.532 4.577 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.995 -6.909 6.214 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.076 -7.470 3.962 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.444 -8.544 4.179 1.00 0.00 H new ATOM 0 HE ARG A 52 3.293 -8.265 6.731 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.337 -9.401 3.529 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.178 -10.574 4.164 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.802 -9.772 7.540 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.877 -10.783 6.425 1.00 0.00 H new ATOM 756 N TYR A 53 3.005 -2.364 5.324 1.00 0.00 N ATOM 757 CA TYR A 53 2.168 -1.274 4.838 1.00 0.00 C ATOM 758 C TYR A 53 2.868 0.071 5.011 1.00 0.00 C ATOM 759 O TYR A 53 3.525 0.315 6.022 1.00 0.00 O ATOM 760 CB TYR A 53 0.829 -1.263 5.577 1.00 0.00 C ATOM 761 CG TYR A 53 -0.020 -2.486 5.311 1.00 0.00 C ATOM 762 CD1 TYR A 53 -0.834 -2.560 4.188 1.00 0.00 C ATOM 763 CD2 TYR A 53 -0.007 -3.567 6.184 1.00 0.00 C ATOM 764 CE1 TYR A 53 -1.612 -3.675 3.942 1.00 0.00 C ATOM 765 CE2 TYR A 53 -0.780 -4.687 5.945 1.00 0.00 C ATOM 766 CZ TYR A 53 -1.581 -4.736 4.823 1.00 0.00 C ATOM 767 OH TYR A 53 -2.353 -5.849 4.582 1.00 0.00 O ATOM 0 H TYR A 53 2.879 -2.584 6.312 1.00 0.00 H new ATOM 0 HA TYR A 53 1.988 -1.435 3.775 1.00 0.00 H new ATOM 0 HB2 TYR A 53 1.015 -1.187 6.648 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.271 -0.373 5.286 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.859 -1.732 3.495 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.618 -3.531 7.064 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.241 -3.716 3.065 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.757 -5.519 6.633 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.214 -6.504 5.297 1.00 0.00 H new ATOM 777 N SER A 54 2.721 0.939 4.015 1.00 0.00 N ATOM 778 CA SER A 54 3.342 2.258 4.055 1.00 0.00 C ATOM 779 C SER A 54 2.352 3.337 3.625 1.00 0.00 C ATOM 780 O SER A 54 1.949 3.399 2.463 1.00 0.00 O ATOM 781 CB SER A 54 4.575 2.292 3.150 1.00 0.00 C ATOM 782 OG SER A 54 5.176 1.012 3.059 1.00 0.00 O ATOM 0 H SER A 54 2.178 0.753 3.172 1.00 0.00 H new ATOM 0 HA SER A 54 3.648 2.458 5.082 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.291 2.635 2.155 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.297 3.009 3.540 1.00 0.00 H new ATOM 0 HG SER A 54 5.961 1.060 2.474 1.00 0.00 H new ATOM 788 N LEU A 55 1.964 4.185 4.571 1.00 0.00 N ATOM 789 CA LEU A 55 1.021 5.263 4.292 1.00 0.00 C ATOM 790 C LEU A 55 1.740 6.604 4.195 1.00 0.00 C ATOM 791 O LEU A 55 2.280 7.103 5.183 1.00 0.00 O ATOM 792 CB LEU A 55 -0.051 5.324 5.382 1.00 0.00 C ATOM 793 CG LEU A 55 -0.931 4.082 5.528 1.00 0.00 C ATOM 794 CD1 LEU A 55 -0.080 2.855 5.816 1.00 0.00 C ATOM 795 CD2 LEU A 55 -1.964 4.286 6.626 1.00 0.00 C ATOM 0 H LEU A 55 2.287 4.147 5.538 1.00 0.00 H new ATOM 0 HA LEU A 55 0.545 5.057 3.333 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.440 5.511 6.337 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.696 6.180 5.182 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.457 3.921 4.587 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.724 1.981 5.917 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.620 2.697 4.996 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.474 3.006 6.742 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.581 3.392 6.716 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.457 4.473 7.572 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.595 5.139 6.378 1.00 0.00 H new ATOM 807 N ARG A 56 1.741 7.184 2.999 1.00 0.00 N ATOM 808 CA ARG A 56 2.393 8.468 2.773 1.00 0.00 C ATOM 809 C ARG A 56 1.392 9.505 2.271 1.00 0.00 C ATOM 810 O ARG A 56 0.771 9.325 1.225 1.00 0.00 O ATOM 811 CB ARG A 56 3.534 8.315 1.765 1.00 0.00 C ATOM 812 CG ARG A 56 4.760 7.621 2.335 1.00 0.00 C ATOM 813 CD ARG A 56 5.902 7.595 1.330 1.00 0.00 C ATOM 814 NE ARG A 56 7.203 7.471 1.983 1.00 0.00 N ATOM 815 CZ ARG A 56 7.876 8.502 2.480 1.00 0.00 C ATOM 816 NH1 ARG A 56 7.375 9.727 2.400 1.00 0.00 N ATOM 817 NH2 ARG A 56 9.054 8.309 3.059 1.00 0.00 N ATOM 0 H ARG A 56 1.297 6.785 2.172 1.00 0.00 H new ATOM 0 HA ARG A 56 2.801 8.812 3.723 1.00 0.00 H new ATOM 0 HB2 ARG A 56 3.174 7.751 0.905 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.821 9.302 1.401 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.082 8.135 3.241 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.502 6.601 2.621 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.761 6.761 0.642 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.881 8.507 0.734 1.00 0.00 H new ATOM 0 HE ARG A 56 7.617 6.542 2.061 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.470 9.880 1.956 1.00 0.00 H new ATOM 0 HH12 ARG A 56 7.895 10.517 2.783 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.443 7.368 3.122 1.00 0.00 H new ATOM 0 HH22 ARG A 56 9.571 9.101 3.441 1.00 0.00 H new ATOM 831 N GLN A 57 1.243 10.589 3.026 1.00 0.00 N ATOM 832 CA GLN A 57 0.317 11.654 2.658 1.00 0.00 C ATOM 833 C GLN A 57 1.059 12.966 2.428 1.00 0.00 C ATOM 834 O GLN A 57 2.050 13.256 3.099 1.00 0.00 O ATOM 835 CB GLN A 57 -0.742 11.837 3.747 1.00 0.00 C ATOM 836 CG GLN A 57 -1.774 12.903 3.418 1.00 0.00 C ATOM 837 CD GLN A 57 -2.607 13.299 4.621 1.00 0.00 C ATOM 838 OE1 GLN A 57 -3.900 12.999 4.571 1.00 0.00 O flip ATOM 839 NE2 GLN A 57 -2.095 13.868 5.586 1.00 0.00 N flip ATOM 0 H GLN A 57 1.751 10.753 3.895 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.174 11.368 1.728 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -1.252 10.887 3.910 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.248 12.098 4.683 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.268 13.785 3.025 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.432 12.536 2.630 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.097 14.080 5.583 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.669 14.128 6.388 1.00 0.00 H new ATOM 848 N ASP A 58 0.575 13.755 1.476 1.00 0.00 N ATOM 849 CA ASP A 58 1.192 15.038 1.158 1.00 0.00 C ATOM 850 C ASP A 58 0.142 16.142 1.079 1.00 0.00 C ATOM 851 O ASP A 58 -0.122 16.686 0.008 1.00 0.00 O ATOM 852 CB ASP A 58 1.955 14.947 -0.165 1.00 0.00 C ATOM 853 CG ASP A 58 3.133 15.899 -0.220 1.00 0.00 C ATOM 854 OD1 ASP A 58 3.968 15.865 0.708 1.00 0.00 O ATOM 855 OD2 ASP A 58 3.221 16.677 -1.193 1.00 0.00 O ATOM 0 H ASP A 58 -0.243 13.529 0.910 1.00 0.00 H new ATOM 0 HA ASP A 58 1.892 15.284 1.956 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.310 13.926 -0.307 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.276 15.166 -0.989 1.00 0.00 H new ATOM 860 N GLY A 59 -0.455 16.467 2.222 1.00 0.00 N ATOM 861 CA GLY A 59 -1.470 17.503 2.260 1.00 0.00 C ATOM 862 C GLY A 59 -2.856 16.968 1.963 1.00 0.00 C ATOM 863 O GLY A 59 -3.633 16.690 2.878 1.00 0.00 O ATOM 0 H GLY A 59 -0.254 16.031 3.122 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.468 17.973 3.244 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.220 18.279 1.536 1.00 0.00 H new ATOM 867 N THR A 60 -3.170 16.823 0.679 1.00 0.00 N ATOM 868 CA THR A 60 -4.474 16.320 0.263 1.00 0.00 C ATOM 869 C THR A 60 -4.341 14.991 -0.472 1.00 0.00 C ATOM 870 O THR A 60 -5.315 14.253 -0.623 1.00 0.00 O ATOM 871 CB THR A 60 -5.200 17.328 -0.647 1.00 0.00 C ATOM 872 OG1 THR A 60 -4.378 17.650 -1.774 1.00 0.00 O ATOM 873 CG2 THR A 60 -5.543 18.598 0.117 1.00 0.00 C ATOM 0 H THR A 60 -2.539 17.047 -0.091 1.00 0.00 H new ATOM 0 HA THR A 60 -5.061 16.173 1.170 1.00 0.00 H new ATOM 0 HB THR A 60 -6.127 16.870 -0.993 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.847 18.290 -2.349 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.055 19.295 -0.547 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.193 18.353 0.957 1.00 0.00 H new ATOM 0 HG23 THR A 60 -4.627 19.058 0.489 1.00 0.00 H new ATOM 881 N LYS A 61 -3.130 14.691 -0.929 1.00 0.00 N ATOM 882 CA LYS A 61 -2.869 13.450 -1.648 1.00 0.00 C ATOM 883 C LYS A 61 -2.486 12.333 -0.683 1.00 0.00 C ATOM 884 O LYS A 61 -1.850 12.577 0.343 1.00 0.00 O ATOM 885 CB LYS A 61 -1.752 13.657 -2.674 1.00 0.00 C ATOM 886 CG LYS A 61 -2.221 14.319 -3.958 1.00 0.00 C ATOM 887 CD LYS A 61 -1.147 14.276 -5.032 1.00 0.00 C ATOM 888 CE LYS A 61 -1.635 14.896 -6.333 1.00 0.00 C ATOM 889 NZ LYS A 61 -1.626 16.384 -6.276 1.00 0.00 N ATOM 0 H LYS A 61 -2.313 15.291 -0.814 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.783 13.161 -2.167 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.967 14.267 -2.226 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.307 12.691 -2.914 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.119 13.818 -4.320 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.493 15.355 -3.756 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.261 14.808 -4.684 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.849 13.243 -5.209 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.003 14.560 -7.155 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.646 14.547 -6.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.965 16.768 -7.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.249 16.706 -5.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.657 16.719 -6.099 1.00 0.00 H new ATOM 903 N CYS A 62 -2.876 11.108 -1.018 1.00 0.00 N ATOM 904 CA CYS A 62 -2.573 9.953 -0.181 1.00 0.00 C ATOM 905 C CYS A 62 -1.867 8.868 -0.987 1.00 0.00 C ATOM 906 O CYS A 62 -1.908 8.869 -2.217 1.00 0.00 O ATOM 907 CB CYS A 62 -3.856 9.393 0.436 1.00 0.00 C ATOM 908 SG CYS A 62 -4.914 10.645 1.199 1.00 0.00 S ATOM 0 H CYS A 62 -3.403 10.889 -1.864 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.907 10.279 0.618 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.423 8.876 -0.338 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.591 8.649 1.188 1.00 0.00 H new ATOM 0 HG CYS A 62 -6.030 10.731 0.538 1.00 0.00 H new ATOM 914 N GLU A 63 -1.219 7.943 -0.285 1.00 0.00 N ATOM 915 CA GLU A 63 -0.501 6.854 -0.937 1.00 0.00 C ATOM 916 C GLU A 63 -0.311 5.679 0.019 1.00 0.00 C ATOM 917 O GLU A 63 0.241 5.835 1.109 1.00 0.00 O ATOM 918 CB GLU A 63 0.858 7.340 -1.443 1.00 0.00 C ATOM 919 CG GLU A 63 1.736 6.228 -1.993 1.00 0.00 C ATOM 920 CD GLU A 63 2.839 6.747 -2.894 1.00 0.00 C ATOM 921 OE1 GLU A 63 2.595 6.886 -4.111 1.00 0.00 O ATOM 922 OE2 GLU A 63 3.947 7.015 -2.383 1.00 0.00 O ATOM 0 H GLU A 63 -1.177 7.926 0.734 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.096 6.517 -1.786 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.701 8.086 -2.222 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.384 7.837 -0.627 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.179 5.676 -1.164 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.118 5.524 -2.550 1.00 0.00 H new ATOM 929 N LEU A 64 -0.771 4.505 -0.397 1.00 0.00 N ATOM 930 CA LEU A 64 -0.653 3.303 0.421 1.00 0.00 C ATOM 931 C LEU A 64 0.076 2.198 -0.336 1.00 0.00 C ATOM 932 O LEU A 64 -0.383 1.744 -1.384 1.00 0.00 O ATOM 933 CB LEU A 64 -2.038 2.815 0.849 1.00 0.00 C ATOM 934 CG LEU A 64 -2.089 1.438 1.513 1.00 0.00 C ATOM 935 CD1 LEU A 64 -2.178 0.343 0.462 1.00 0.00 C ATOM 936 CD2 LEU A 64 -0.872 1.229 2.402 1.00 0.00 C ATOM 0 H LEU A 64 -1.229 4.359 -1.296 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.072 3.554 1.309 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.461 3.545 1.539 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.682 2.796 -0.030 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.982 1.389 2.137 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.213 -0.630 0.952 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.080 0.482 -0.133 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.304 0.390 -0.188 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.925 0.244 2.866 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.034 1.298 1.800 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.852 1.995 3.177 1.00 0.00 H new ATOM 948 N GLN A 65 1.213 1.770 0.202 1.00 0.00 N ATOM 949 CA GLN A 65 2.005 0.717 -0.423 1.00 0.00 C ATOM 950 C GLN A 65 1.895 -0.586 0.363 1.00 0.00 C ATOM 951 O GLN A 65 1.991 -0.591 1.590 1.00 0.00 O ATOM 952 CB GLN A 65 3.470 1.143 -0.525 1.00 0.00 C ATOM 953 CG GLN A 65 3.798 1.894 -1.805 1.00 0.00 C ATOM 954 CD GLN A 65 5.288 2.099 -1.996 1.00 0.00 C ATOM 955 OE1 GLN A 65 5.954 1.310 -2.667 1.00 0.00 O ATOM 956 NE2 GLN A 65 5.819 3.163 -1.406 1.00 0.00 N ATOM 0 H GLN A 65 1.607 2.136 1.069 1.00 0.00 H new ATOM 0 HA GLN A 65 1.613 0.549 -1.426 1.00 0.00 H new ATOM 0 HB2 GLN A 65 3.717 1.773 0.329 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.102 0.258 -0.461 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.399 1.344 -2.657 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.301 2.864 -1.790 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.229 3.790 -0.859 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.817 3.353 -1.499 1.00 0.00 H new ATOM 965 N ILE A 66 1.693 -1.687 -0.353 1.00 0.00 N ATOM 966 CA ILE A 66 1.571 -2.996 0.278 1.00 0.00 C ATOM 967 C ILE A 66 2.743 -3.897 -0.095 1.00 0.00 C ATOM 968 O ILE A 66 2.759 -4.498 -1.170 1.00 0.00 O ATOM 969 CB ILE A 66 0.256 -3.691 -0.118 1.00 0.00 C ATOM 970 CG1 ILE A 66 -0.930 -2.750 0.099 1.00 0.00 C ATOM 971 CG2 ILE A 66 0.074 -4.974 0.680 1.00 0.00 C ATOM 972 CD1 ILE A 66 -2.170 -3.152 -0.668 1.00 0.00 C ATOM 0 H ILE A 66 1.610 -1.699 -1.370 1.00 0.00 H new ATOM 0 HA ILE A 66 1.573 -2.829 1.355 1.00 0.00 H new ATOM 0 HB ILE A 66 0.303 -3.947 -1.176 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.166 -2.716 1.163 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.641 -1.741 -0.196 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.860 -5.454 0.389 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.906 -5.648 0.479 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.045 -4.740 1.744 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.970 -2.440 -0.466 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.951 -3.159 -1.736 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.484 -4.148 -0.356 1.00 0.00 H new ATOM 984 N ARG A 67 3.721 -3.988 0.799 1.00 0.00 N ATOM 985 CA ARG A 67 4.897 -4.818 0.564 1.00 0.00 C ATOM 986 C ARG A 67 4.581 -6.290 0.808 1.00 0.00 C ATOM 987 O ARG A 67 4.127 -6.668 1.887 1.00 0.00 O ATOM 988 CB ARG A 67 6.049 -4.375 1.468 1.00 0.00 C ATOM 989 CG ARG A 67 6.643 -3.030 1.083 1.00 0.00 C ATOM 990 CD ARG A 67 7.634 -2.540 2.127 1.00 0.00 C ATOM 991 NE ARG A 67 8.890 -3.284 2.082 1.00 0.00 N ATOM 992 CZ ARG A 67 9.750 -3.214 1.072 1.00 0.00 C ATOM 993 NH1 ARG A 67 9.492 -2.436 0.030 1.00 0.00 N ATOM 994 NH2 ARG A 67 10.872 -3.922 1.104 1.00 0.00 N ATOM 0 H ARG A 67 3.723 -3.497 1.693 1.00 0.00 H new ATOM 0 HA ARG A 67 5.195 -4.696 -0.478 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.693 -4.324 2.497 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.834 -5.131 1.439 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.142 -3.114 0.117 1.00 0.00 H new ATOM 0 HG3 ARG A 67 5.844 -2.298 0.966 1.00 0.00 H new ATOM 0 HD2 ARG A 67 7.834 -1.481 1.967 1.00 0.00 H new ATOM 0 HD3 ARG A 67 7.192 -2.635 3.119 1.00 0.00 H new ATOM 0 HE ARG A 67 9.119 -3.891 2.869 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.631 -1.889 0.002 1.00 0.00 H new ATOM 0 HH12 ARG A 67 10.154 -2.384 -0.744 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.075 -4.521 1.905 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.532 -3.868 0.328 1.00 0.00 H new ATOM 1008 N GLY A 68 4.826 -7.119 -0.203 1.00 0.00 N ATOM 1009 CA GLY A 68 4.561 -8.540 -0.078 1.00 0.00 C ATOM 1010 C GLY A 68 3.227 -8.936 -0.679 1.00 0.00 C ATOM 1011 O GLY A 68 2.398 -9.558 -0.013 1.00 0.00 O ATOM 0 H GLY A 68 5.203 -6.831 -1.106 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.357 -9.100 -0.569 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.578 -8.818 0.976 1.00 0.00 H new ATOM 1015 N LEU A 69 3.016 -8.574 -1.939 1.00 0.00 N ATOM 1016 CA LEU A 69 1.772 -8.894 -2.630 1.00 0.00 C ATOM 1017 C LEU A 69 1.645 -10.398 -2.856 1.00 0.00 C ATOM 1018 O LEU A 69 2.616 -11.066 -3.209 1.00 0.00 O ATOM 1019 CB LEU A 69 1.704 -8.158 -3.969 1.00 0.00 C ATOM 1020 CG LEU A 69 1.312 -6.682 -3.905 1.00 0.00 C ATOM 1021 CD1 LEU A 69 1.494 -6.021 -5.262 1.00 0.00 C ATOM 1022 CD2 LEU A 69 -0.125 -6.532 -3.425 1.00 0.00 C ATOM 0 H LEU A 69 3.691 -8.058 -2.504 1.00 0.00 H new ATOM 0 HA LEU A 69 0.943 -8.568 -2.002 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.678 -8.234 -4.452 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.990 -8.675 -4.609 1.00 0.00 H new ATOM 0 HG LEU A 69 1.967 -6.183 -3.191 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.210 -4.971 -5.196 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.538 -6.096 -5.566 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.865 -6.522 -5.998 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.387 -5.475 -3.386 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.794 -7.046 -4.115 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.224 -6.968 -2.431 1.00 0.00 H new ATOM 1034 N ALA A 70 0.442 -10.922 -2.651 1.00 0.00 N ATOM 1035 CA ALA A 70 0.187 -12.346 -2.836 1.00 0.00 C ATOM 1036 C ALA A 70 -1.243 -12.591 -3.307 1.00 0.00 C ATOM 1037 O ALA A 70 -2.061 -11.672 -3.342 1.00 0.00 O ATOM 1038 CB ALA A 70 0.457 -13.103 -1.545 1.00 0.00 C ATOM 0 H ALA A 70 -0.372 -10.382 -2.357 1.00 0.00 H new ATOM 0 HA ALA A 70 0.864 -12.714 -3.607 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.262 -14.165 -1.698 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.498 -12.963 -1.252 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.195 -12.724 -0.758 1.00 0.00 H new ATOM 1044 N MET A 71 -1.536 -13.836 -3.668 1.00 0.00 N ATOM 1045 CA MET A 71 -2.868 -14.201 -4.136 1.00 0.00 C ATOM 1046 C MET A 71 -3.926 -13.844 -3.097 1.00 0.00 C ATOM 1047 O MET A 71 -4.994 -13.334 -3.435 1.00 0.00 O ATOM 1048 CB MET A 71 -2.929 -15.697 -4.450 1.00 0.00 C ATOM 1049 CG MET A 71 -2.109 -16.097 -5.665 1.00 0.00 C ATOM 1050 SD MET A 71 -3.056 -16.022 -7.198 1.00 0.00 S ATOM 1051 CE MET A 71 -2.900 -14.286 -7.608 1.00 0.00 C ATOM 0 H MET A 71 -0.870 -14.608 -3.645 1.00 0.00 H new ATOM 0 HA MET A 71 -3.073 -13.637 -5.046 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.576 -16.256 -3.584 1.00 0.00 H new ATOM 0 HB3 MET A 71 -3.968 -15.984 -4.613 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.242 -15.441 -5.746 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.730 -17.110 -5.526 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.915 -14.165 -8.691 1.00 0.00 H new ATOM 0 HE2 MET A 71 -3.730 -13.733 -7.170 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.959 -13.902 -7.213 1.00 0.00 H new ATOM 1061 N ALA A 72 -3.623 -14.115 -1.832 1.00 0.00 N ATOM 1062 CA ALA A 72 -4.547 -13.821 -0.744 1.00 0.00 C ATOM 1063 C ALA A 72 -4.882 -12.334 -0.696 1.00 0.00 C ATOM 1064 O ALA A 72 -6.015 -11.952 -0.402 1.00 0.00 O ATOM 1065 CB ALA A 72 -3.961 -14.275 0.584 1.00 0.00 C ATOM 0 H ALA A 72 -2.744 -14.538 -1.535 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.471 -14.370 -0.927 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.662 -14.049 1.387 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.779 -15.349 0.553 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.022 -13.753 0.765 1.00 0.00 H new ATOM 1071 N ASP A 73 -3.890 -11.499 -0.986 1.00 0.00 N ATOM 1072 CA ASP A 73 -4.080 -10.053 -0.976 1.00 0.00 C ATOM 1073 C ASP A 73 -5.116 -9.634 -2.014 1.00 0.00 C ATOM 1074 O ASP A 73 -5.812 -8.632 -1.845 1.00 0.00 O ATOM 1075 CB ASP A 73 -2.754 -9.341 -1.245 1.00 0.00 C ATOM 1076 CG ASP A 73 -1.707 -9.650 -0.192 1.00 0.00 C ATOM 1077 OD1 ASP A 73 -2.090 -10.078 0.917 1.00 0.00 O ATOM 1078 OD2 ASP A 73 -0.506 -9.463 -0.477 1.00 0.00 O ATOM 0 H ASP A 73 -2.946 -11.799 -1.231 1.00 0.00 H new ATOM 0 HA ASP A 73 -4.444 -9.766 0.011 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.378 -9.637 -2.225 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.923 -8.265 -1.280 1.00 0.00 H new ATOM 1083 N THR A 74 -5.214 -10.407 -3.092 1.00 0.00 N ATOM 1084 CA THR A 74 -6.162 -10.115 -4.159 1.00 0.00 C ATOM 1085 C THR A 74 -7.575 -9.955 -3.609 1.00 0.00 C ATOM 1086 O THR A 74 -8.185 -10.918 -3.147 1.00 0.00 O ATOM 1087 CB THR A 74 -6.162 -11.223 -5.229 1.00 0.00 C ATOM 1088 OG1 THR A 74 -4.823 -11.484 -5.664 1.00 0.00 O ATOM 1089 CG2 THR A 74 -7.020 -10.824 -6.421 1.00 0.00 C ATOM 0 H THR A 74 -4.647 -11.241 -3.248 1.00 0.00 H new ATOM 0 HA THR A 74 -5.845 -9.178 -4.617 1.00 0.00 H new ATOM 0 HB THR A 74 -6.582 -12.126 -4.786 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.373 -12.059 -5.010 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.005 -11.622 -7.164 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.045 -10.655 -6.091 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.626 -9.909 -6.863 1.00 0.00 H new ATOM 1097 N GLY A 75 -8.091 -8.731 -3.664 1.00 0.00 N ATOM 1098 CA GLY A 75 -9.430 -8.467 -3.169 1.00 0.00 C ATOM 1099 C GLY A 75 -9.919 -7.079 -3.532 1.00 0.00 C ATOM 1100 O GLY A 75 -9.921 -6.702 -4.703 1.00 0.00 O ATOM 0 H GLY A 75 -7.606 -7.917 -4.042 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.117 -9.209 -3.576 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.442 -8.581 -2.085 1.00 0.00 H new ATOM 1104 N GLU A 76 -10.338 -6.319 -2.525 1.00 0.00 N ATOM 1105 CA GLU A 76 -10.835 -4.966 -2.747 1.00 0.00 C ATOM 1106 C GLU A 76 -10.451 -4.049 -1.589 1.00 0.00 C ATOM 1107 O GLU A 76 -10.770 -4.325 -0.432 1.00 0.00 O ATOM 1108 CB GLU A 76 -12.355 -4.979 -2.919 1.00 0.00 C ATOM 1109 CG GLU A 76 -12.954 -3.601 -3.145 1.00 0.00 C ATOM 1110 CD GLU A 76 -14.467 -3.597 -3.037 1.00 0.00 C ATOM 1111 OE1 GLU A 76 -14.998 -4.260 -2.123 1.00 0.00 O ATOM 1112 OE2 GLU A 76 -15.118 -2.930 -3.869 1.00 0.00 O ATOM 0 H GLU A 76 -10.343 -6.616 -1.549 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.377 -4.583 -3.659 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -12.611 -5.620 -3.763 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -12.809 -5.422 -2.033 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -12.540 -2.905 -2.416 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -12.663 -3.240 -4.131 1.00 0.00 H new ATOM 1119 N TYR A 77 -9.764 -2.958 -1.909 1.00 0.00 N ATOM 1120 CA TYR A 77 -9.333 -2.002 -0.896 1.00 0.00 C ATOM 1121 C TYR A 77 -10.147 -0.714 -0.981 1.00 0.00 C ATOM 1122 O TYR A 77 -10.598 -0.322 -2.057 1.00 0.00 O ATOM 1123 CB TYR A 77 -7.844 -1.689 -1.060 1.00 0.00 C ATOM 1124 CG TYR A 77 -6.953 -2.904 -0.930 1.00 0.00 C ATOM 1125 CD1 TYR A 77 -7.075 -3.976 -1.806 1.00 0.00 C ATOM 1126 CD2 TYR A 77 -5.989 -2.980 0.068 1.00 0.00 C ATOM 1127 CE1 TYR A 77 -6.263 -5.087 -1.691 1.00 0.00 C ATOM 1128 CE2 TYR A 77 -5.172 -4.087 0.189 1.00 0.00 C ATOM 1129 CZ TYR A 77 -5.313 -5.138 -0.693 1.00 0.00 C ATOM 1130 OH TYR A 77 -4.502 -6.243 -0.574 1.00 0.00 O ATOM 0 H TYR A 77 -9.494 -2.714 -2.862 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.497 -2.451 0.084 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.682 -1.233 -2.037 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.551 -0.952 -0.312 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.817 -3.940 -2.590 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.877 -2.159 0.761 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.372 -5.912 -2.379 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -4.427 -4.129 0.970 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.938 -7.015 -0.990 1.00 0.00 H new ATOM 1140 N SER A 78 -10.330 -0.061 0.162 1.00 0.00 N ATOM 1141 CA SER A 78 -11.092 1.181 0.219 1.00 0.00 C ATOM 1142 C SER A 78 -10.414 2.192 1.139 1.00 0.00 C ATOM 1143 O SER A 78 -10.089 1.884 2.286 1.00 0.00 O ATOM 1144 CB SER A 78 -12.517 0.908 0.703 1.00 0.00 C ATOM 1145 OG SER A 78 -13.018 -0.300 0.158 1.00 0.00 O ATOM 0 H SER A 78 -9.961 -0.371 1.061 1.00 0.00 H new ATOM 0 HA SER A 78 -11.132 1.601 -0.786 1.00 0.00 H new ATOM 0 HB2 SER A 78 -12.530 0.853 1.792 1.00 0.00 H new ATOM 0 HB3 SER A 78 -13.166 1.736 0.418 1.00 0.00 H new ATOM 0 HG SER A 78 -13.930 -0.453 0.484 1.00 0.00 H new ATOM 1151 N CYS A 79 -10.205 3.400 0.627 1.00 0.00 N ATOM 1152 CA CYS A 79 -9.565 4.458 1.401 1.00 0.00 C ATOM 1153 C CYS A 79 -10.599 5.451 1.923 1.00 0.00 C ATOM 1154 O CYS A 79 -11.126 6.268 1.168 1.00 0.00 O ATOM 1155 CB CYS A 79 -8.526 5.187 0.548 1.00 0.00 C ATOM 1156 SG CYS A 79 -7.226 6.002 1.503 1.00 0.00 S ATOM 0 H CYS A 79 -10.469 3.671 -0.320 1.00 0.00 H new ATOM 0 HA CYS A 79 -9.066 3.998 2.254 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -8.066 4.472 -0.135 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -9.033 5.932 -0.065 1.00 0.00 H new ATOM 0 HG CYS A 79 -6.077 5.466 1.217 1.00 0.00 H new ATOM 1162 N VAL A 80 -10.885 5.373 3.219 1.00 0.00 N ATOM 1163 CA VAL A 80 -11.857 6.264 3.842 1.00 0.00 C ATOM 1164 C VAL A 80 -11.175 7.494 4.432 1.00 0.00 C ATOM 1165 O VAL A 80 -10.026 7.429 4.870 1.00 0.00 O ATOM 1166 CB VAL A 80 -12.646 5.546 4.953 1.00 0.00 C ATOM 1167 CG1 VAL A 80 -14.000 6.206 5.158 1.00 0.00 C ATOM 1168 CG2 VAL A 80 -12.807 4.070 4.621 1.00 0.00 C ATOM 0 H VAL A 80 -10.458 4.702 3.858 1.00 0.00 H new ATOM 0 HA VAL A 80 -12.549 6.575 3.059 1.00 0.00 H new ATOM 0 HB VAL A 80 -12.086 5.627 5.884 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.543 5.685 5.947 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -13.857 7.248 5.443 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -14.572 6.158 4.231 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.367 3.577 5.416 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.346 3.966 3.679 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -11.824 3.608 4.529 1.00 0.00 H new ATOM 1178 N CYS A 81 -11.890 8.613 4.440 1.00 0.00 N ATOM 1179 CA CYS A 81 -11.355 9.859 4.976 1.00 0.00 C ATOM 1180 C CYS A 81 -12.248 10.401 6.087 1.00 0.00 C ATOM 1181 O CYS A 81 -11.761 10.910 7.096 1.00 0.00 O ATOM 1182 CB CYS A 81 -11.216 10.899 3.864 1.00 0.00 C ATOM 1183 SG CYS A 81 -12.781 11.363 3.087 1.00 0.00 S ATOM 0 H CYS A 81 -12.842 8.683 4.081 1.00 0.00 H new ATOM 0 HA CYS A 81 -10.370 9.652 5.395 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -10.747 11.793 4.274 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -10.544 10.510 3.099 1.00 0.00 H new ATOM 0 HG CYS A 81 -12.938 10.685 1.989 1.00 0.00 H new ATOM 1189 N GLY A 82 -13.558 10.291 5.893 1.00 0.00 N ATOM 1190 CA GLY A 82 -14.499 10.776 6.886 1.00 0.00 C ATOM 1191 C GLY A 82 -15.931 10.404 6.559 1.00 0.00 C ATOM 1192 O GLY A 82 -16.523 9.550 7.219 1.00 0.00 O ATOM 0 H GLY A 82 -13.985 9.875 5.066 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.235 10.368 7.862 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.417 11.860 6.961 1.00 0.00 H new ATOM 1196 N GLN A 83 -16.490 11.047 5.539 1.00 0.00 N ATOM 1197 CA GLN A 83 -17.863 10.780 5.127 1.00 0.00 C ATOM 1198 C GLN A 83 -17.898 9.865 3.908 1.00 0.00 C ATOM 1199 O GLN A 83 -18.734 8.967 3.818 1.00 0.00 O ATOM 1200 CB GLN A 83 -18.589 12.090 4.818 1.00 0.00 C ATOM 1201 CG GLN A 83 -18.598 13.070 5.980 1.00 0.00 C ATOM 1202 CD GLN A 83 -19.490 14.270 5.726 1.00 0.00 C ATOM 1203 OE1 GLN A 83 -19.146 15.159 4.946 1.00 0.00 O ATOM 1204 NE2 GLN A 83 -20.643 14.300 6.383 1.00 0.00 N ATOM 0 H GLN A 83 -16.013 11.757 4.983 1.00 0.00 H new ATOM 0 HA GLN A 83 -18.371 10.277 5.950 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -18.116 12.564 3.958 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -19.617 11.867 4.534 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -18.934 12.556 6.881 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -17.581 13.412 6.169 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -20.887 13.541 7.020 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -21.285 15.082 6.251 1.00 0.00 H new ATOM 1213 N GLU A 84 -16.984 10.101 2.971 1.00 0.00 N ATOM 1214 CA GLU A 84 -16.912 9.298 1.756 1.00 0.00 C ATOM 1215 C GLU A 84 -15.579 8.560 1.669 1.00 0.00 C ATOM 1216 O GLU A 84 -14.697 8.751 2.506 1.00 0.00 O ATOM 1217 CB GLU A 84 -17.099 10.183 0.522 1.00 0.00 C ATOM 1218 CG GLU A 84 -16.240 11.436 0.536 1.00 0.00 C ATOM 1219 CD GLU A 84 -16.630 12.424 -0.547 1.00 0.00 C ATOM 1220 OE1 GLU A 84 -17.541 13.242 -0.302 1.00 0.00 O ATOM 1221 OE2 GLU A 84 -16.026 12.377 -1.639 1.00 0.00 O ATOM 0 H GLU A 84 -16.284 10.841 3.030 1.00 0.00 H new ATOM 0 HA GLU A 84 -17.714 8.560 1.791 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -16.865 9.602 -0.370 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -18.147 10.472 0.448 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -16.324 11.918 1.510 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -15.194 11.156 0.408 1.00 0.00 H new ATOM 1228 N ARG A 85 -15.442 7.717 0.652 1.00 0.00 N ATOM 1229 CA ARG A 85 -14.218 6.948 0.456 1.00 0.00 C ATOM 1230 C ARG A 85 -14.126 6.428 -0.975 1.00 0.00 C ATOM 1231 O ARG A 85 -15.078 6.533 -1.749 1.00 0.00 O ATOM 1232 CB ARG A 85 -14.162 5.779 1.441 1.00 0.00 C ATOM 1233 CG ARG A 85 -14.980 4.575 1.003 1.00 0.00 C ATOM 1234 CD ARG A 85 -16.375 4.598 1.608 1.00 0.00 C ATOM 1235 NE ARG A 85 -17.323 3.805 0.830 1.00 0.00 N ATOM 1236 CZ ARG A 85 -17.983 4.275 -0.223 1.00 0.00 C ATOM 1237 NH1 ARG A 85 -17.800 5.526 -0.621 1.00 0.00 N ATOM 1238 NH2 ARG A 85 -18.829 3.491 -0.880 1.00 0.00 N ATOM 0 H ARG A 85 -16.163 7.548 -0.050 1.00 0.00 H new ATOM 0 HA ARG A 85 -13.370 7.608 0.639 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -13.124 5.474 1.572 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -14.520 6.117 2.414 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -15.054 4.561 -0.084 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -14.469 3.659 1.300 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -16.334 4.216 2.628 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -16.727 5.628 1.668 1.00 0.00 H new ATOM 0 HE ARG A 85 -17.487 2.838 1.110 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -17.151 6.131 -0.118 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -18.308 5.883 -1.430 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -18.972 2.528 -0.576 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -19.336 3.852 -1.688 1.00 0.00 H new ATOM 1252 N THR A 86 -12.972 5.865 -1.321 1.00 0.00 N ATOM 1253 CA THR A 86 -12.754 5.330 -2.659 1.00 0.00 C ATOM 1254 C THR A 86 -12.248 3.893 -2.601 1.00 0.00 C ATOM 1255 O THR A 86 -11.726 3.450 -1.578 1.00 0.00 O ATOM 1256 CB THR A 86 -11.746 6.185 -3.450 1.00 0.00 C ATOM 1257 OG1 THR A 86 -11.523 5.610 -4.742 1.00 0.00 O ATOM 1258 CG2 THR A 86 -10.426 6.294 -2.703 1.00 0.00 C ATOM 0 H THR A 86 -12.174 5.768 -0.693 1.00 0.00 H new ATOM 0 HA THR A 86 -13.717 5.353 -3.169 1.00 0.00 H new ATOM 0 HB THR A 86 -12.164 7.185 -3.566 1.00 0.00 H new ATOM 0 HG1 THR A 86 -12.370 5.571 -5.233 1.00 0.00 H new ATOM 0 HG21 THR A 86 -9.730 6.902 -3.281 1.00 0.00 H new ATOM 0 HG22 THR A 86 -10.595 6.759 -1.732 1.00 0.00 H new ATOM 0 HG23 THR A 86 -10.006 5.299 -2.560 1.00 0.00 H new ATOM 1266 N SER A 87 -12.404 3.170 -3.705 1.00 0.00 N ATOM 1267 CA SER A 87 -11.965 1.781 -3.777 1.00 0.00 C ATOM 1268 C SER A 87 -11.385 1.466 -5.153 1.00 0.00 C ATOM 1269 O SER A 87 -11.660 2.163 -6.129 1.00 0.00 O ATOM 1270 CB SER A 87 -13.132 0.838 -3.476 1.00 0.00 C ATOM 1271 OG SER A 87 -14.077 1.454 -2.617 1.00 0.00 O ATOM 0 H SER A 87 -12.831 3.523 -4.562 1.00 0.00 H new ATOM 0 HA SER A 87 -11.186 1.633 -3.029 1.00 0.00 H new ATOM 0 HB2 SER A 87 -13.618 0.547 -4.407 1.00 0.00 H new ATOM 0 HB3 SER A 87 -12.756 -0.075 -3.014 1.00 0.00 H new ATOM 0 HG SER A 87 -14.813 0.832 -2.441 1.00 0.00 H new ATOM 1277 N ALA A 88 -10.579 0.411 -5.220 1.00 0.00 N ATOM 1278 CA ALA A 88 -9.961 0.002 -6.475 1.00 0.00 C ATOM 1279 C ALA A 88 -9.586 -1.476 -6.446 1.00 0.00 C ATOM 1280 O ALA A 88 -8.634 -1.872 -5.775 1.00 0.00 O ATOM 1281 CB ALA A 88 -8.733 0.854 -6.761 1.00 0.00 C ATOM 0 H ALA A 88 -10.339 -0.175 -4.420 1.00 0.00 H new ATOM 0 HA ALA A 88 -10.687 0.151 -7.274 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.282 0.538 -7.701 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -9.026 1.901 -6.833 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.011 0.734 -5.953 1.00 0.00 H new ATOM 1287 N MET A 89 -10.342 -2.288 -7.178 1.00 0.00 N ATOM 1288 CA MET A 89 -10.089 -3.723 -7.236 1.00 0.00 C ATOM 1289 C MET A 89 -8.614 -4.004 -7.507 1.00 0.00 C ATOM 1290 O MET A 89 -8.071 -3.588 -8.531 1.00 0.00 O ATOM 1291 CB MET A 89 -10.951 -4.372 -8.320 1.00 0.00 C ATOM 1292 CG MET A 89 -12.367 -4.684 -7.864 1.00 0.00 C ATOM 1293 SD MET A 89 -12.412 -5.824 -6.467 1.00 0.00 S ATOM 1294 CE MET A 89 -11.409 -7.169 -7.096 1.00 0.00 C ATOM 0 H MET A 89 -11.135 -1.977 -7.739 1.00 0.00 H new ATOM 0 HA MET A 89 -10.351 -4.152 -6.269 1.00 0.00 H new ATOM 0 HB2 MET A 89 -10.994 -3.709 -9.184 1.00 0.00 H new ATOM 0 HB3 MET A 89 -10.473 -5.294 -8.650 1.00 0.00 H new ATOM 0 HG2 MET A 89 -12.868 -3.756 -7.587 1.00 0.00 H new ATOM 0 HG3 MET A 89 -12.926 -5.112 -8.696 1.00 0.00 H new ATOM 0 HE1 MET A 89 -11.514 -8.037 -6.444 1.00 0.00 H new ATOM 0 HE2 MET A 89 -11.738 -7.429 -8.102 1.00 0.00 H new ATOM 0 HE3 MET A 89 -10.364 -6.861 -7.125 1.00 0.00 H new ATOM 1304 N LEU A 90 -7.972 -4.711 -6.584 1.00 0.00 N ATOM 1305 CA LEU A 90 -6.559 -5.047 -6.724 1.00 0.00 C ATOM 1306 C LEU A 90 -6.386 -6.481 -7.214 1.00 0.00 C ATOM 1307 O LEU A 90 -6.853 -7.427 -6.579 1.00 0.00 O ATOM 1308 CB LEU A 90 -5.836 -4.862 -5.389 1.00 0.00 C ATOM 1309 CG LEU A 90 -4.529 -5.639 -5.220 1.00 0.00 C ATOM 1310 CD1 LEU A 90 -3.608 -5.398 -6.406 1.00 0.00 C ATOM 1311 CD2 LEU A 90 -3.841 -5.248 -3.920 1.00 0.00 C ATOM 0 H LEU A 90 -8.407 -5.063 -5.731 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.123 -4.375 -7.463 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.624 -3.801 -5.257 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.515 -5.153 -4.588 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.763 -6.703 -5.178 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.683 -5.959 -6.268 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.100 -5.728 -7.321 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.380 -4.335 -6.479 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.913 -5.810 -3.816 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.619 -4.181 -3.932 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.497 -5.472 -3.079 1.00 0.00 H new ATOM 1323 N THR A 91 -5.710 -6.636 -8.349 1.00 0.00 N ATOM 1324 CA THR A 91 -5.475 -7.954 -8.924 1.00 0.00 C ATOM 1325 C THR A 91 -3.994 -8.315 -8.884 1.00 0.00 C ATOM 1326 O THR A 91 -3.163 -7.636 -9.487 1.00 0.00 O ATOM 1327 CB THR A 91 -5.971 -8.028 -10.380 1.00 0.00 C ATOM 1328 OG1 THR A 91 -7.396 -8.160 -10.407 1.00 0.00 O ATOM 1329 CG2 THR A 91 -5.334 -9.202 -11.110 1.00 0.00 C ATOM 0 H THR A 91 -5.316 -5.865 -8.888 1.00 0.00 H new ATOM 0 HA THR A 91 -6.036 -8.667 -8.320 1.00 0.00 H new ATOM 0 HB THR A 91 -5.683 -7.106 -10.885 1.00 0.00 H new ATOM 0 HG1 THR A 91 -7.703 -8.205 -11.337 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.700 -9.234 -12.136 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.250 -9.083 -11.114 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.595 -10.131 -10.603 1.00 0.00 H new ATOM 1337 N VAL A 92 -3.671 -9.389 -8.170 1.00 0.00 N ATOM 1338 CA VAL A 92 -2.289 -9.841 -8.053 1.00 0.00 C ATOM 1339 C VAL A 92 -1.976 -10.922 -9.082 1.00 0.00 C ATOM 1340 O VAL A 92 -2.367 -12.078 -8.920 1.00 0.00 O ATOM 1341 CB VAL A 92 -1.995 -10.388 -6.644 1.00 0.00 C ATOM 1342 CG1 VAL A 92 -0.612 -11.019 -6.594 1.00 0.00 C ATOM 1343 CG2 VAL A 92 -2.124 -9.283 -5.607 1.00 0.00 C ATOM 0 H VAL A 92 -4.347 -9.962 -7.664 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.655 -8.974 -8.237 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.729 -11.160 -6.412 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.422 -11.400 -5.591 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.560 -11.840 -7.309 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.139 -10.270 -6.846 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.913 -9.687 -4.617 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.414 -8.487 -5.833 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.137 -8.882 -5.627 1.00 0.00 H new ATOM 1353 N ARG A 93 -1.268 -10.538 -10.139 1.00 0.00 N ATOM 1354 CA ARG A 93 -0.903 -11.475 -11.195 1.00 0.00 C ATOM 1355 C ARG A 93 0.141 -12.472 -10.700 1.00 0.00 C ATOM 1356 O ARG A 93 1.318 -12.138 -10.566 1.00 0.00 O ATOM 1357 CB ARG A 93 -0.365 -10.720 -12.412 1.00 0.00 C ATOM 1358 CG ARG A 93 -1.313 -9.652 -12.933 1.00 0.00 C ATOM 1359 CD ARG A 93 -2.473 -10.264 -13.703 1.00 0.00 C ATOM 1360 NE ARG A 93 -2.061 -10.751 -15.017 1.00 0.00 N ATOM 1361 CZ ARG A 93 -2.724 -11.681 -15.697 1.00 0.00 C ATOM 1362 NH1 ARG A 93 -3.824 -12.220 -15.190 1.00 0.00 N ATOM 1363 NH2 ARG A 93 -2.287 -12.071 -16.887 1.00 0.00 N ATOM 0 H ARG A 93 -0.936 -9.585 -10.287 1.00 0.00 H new ATOM 0 HA ARG A 93 -1.798 -12.025 -11.484 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.585 -10.254 -12.149 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.160 -11.433 -13.210 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -1.698 -9.067 -12.098 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -0.768 -8.964 -13.580 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -2.896 -11.087 -13.127 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -3.261 -9.521 -13.823 1.00 0.00 H new ATOM 0 HE ARG A 93 -1.219 -10.356 -15.435 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -4.164 -11.921 -14.276 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -4.331 -12.933 -15.714 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -1.442 -11.657 -17.281 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -2.796 -12.785 -17.408 1.00 0.00 H new ATOM 1377 N ALA A 94 -0.299 -13.696 -10.428 1.00 0.00 N ATOM 1378 CA ALA A 94 0.596 -14.741 -9.950 1.00 0.00 C ATOM 1379 C ALA A 94 1.801 -14.897 -10.872 1.00 0.00 C ATOM 1380 O ALA A 94 1.651 -15.063 -12.083 1.00 0.00 O ATOM 1381 CB ALA A 94 -0.151 -16.061 -9.827 1.00 0.00 C ATOM 0 H ALA A 94 -1.271 -13.988 -10.531 1.00 0.00 H new ATOM 0 HA ALA A 94 0.961 -14.449 -8.965 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.530 -16.833 -9.469 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -0.975 -15.949 -9.122 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.545 -16.349 -10.802 1.00 0.00 H new ATOM 1387 N LEU A 95 2.995 -14.842 -10.292 1.00 0.00 N ATOM 1388 CA LEU A 95 4.226 -14.977 -11.063 1.00 0.00 C ATOM 1389 C LEU A 95 4.223 -16.270 -11.873 1.00 0.00 C ATOM 1390 O LEU A 95 3.541 -17.239 -11.539 1.00 0.00 O ATOM 1391 CB LEU A 95 5.439 -14.948 -10.132 1.00 0.00 C ATOM 1392 CG LEU A 95 5.816 -13.579 -9.563 1.00 0.00 C ATOM 1393 CD1 LEU A 95 6.750 -13.735 -8.372 1.00 0.00 C ATOM 1394 CD2 LEU A 95 6.459 -12.714 -10.637 1.00 0.00 C ATOM 0 H LEU A 95 3.137 -14.705 -9.291 1.00 0.00 H new ATOM 0 HA LEU A 95 4.286 -14.137 -11.755 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.249 -15.625 -9.299 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.298 -15.343 -10.675 1.00 0.00 H new ATOM 0 HG LEU A 95 4.906 -13.085 -9.223 1.00 0.00 H new ATOM 0 HD11 LEU A 95 7.008 -12.751 -7.980 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.254 -14.317 -7.595 1.00 0.00 H new ATOM 0 HD13 LEU A 95 7.658 -14.249 -8.687 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.721 -11.744 -10.214 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.360 -13.203 -11.007 1.00 0.00 H new ATOM 0 HD23 LEU A 95 5.758 -12.574 -11.460 1.00 0.00 H new