USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 817 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 108 HIS : no HD1:sc= 0 X(o=0,f=-0.024) USER MOD Set 1.2: A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 64 HIS : no HD1:sc= -2.69 K(o=-9.1,f=-10!) USER MOD Set 2.2: A 68 GLN : amide:sc= -6.45! C(o=-9.1!,f=-18!) USER MOD Set 3.1: A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 48 HIS :FLIP no HD1:sc= -3.15! C(o=-4.8!,f=-3.2!) USER MOD Set 4.1: A 23 TYR OH : rot -14:sc= 1.01 USER MOD Set 4.2: A 46 HIS : no HE2:sc=-0.00075 K(o=1,f=-6.5!) USER MOD Set 5.1: A 30 ASN :FLIP amide:sc= 0.461 F(o=-1.9,f=0.76) USER MOD Set 5.2: A 33 THR OG1 : rot 8:sc= 0.303 USER MOD Set 6.1: A 25 ASN : amide:sc= -0.0743 K(o=-0.36,f=-1.3) USER MOD Set 6.2: A 60 LYS NZ :NH3+ -145:sc= -0.289 (180deg=-1.7) USER MOD Single : A 16 CYS SG : rot 68:sc= 0.252 USER MOD Single : A 17 GLN : amide:sc= 1.11 K(o=1.1,f=-0.95) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -84:sc= 0.407 USER MOD Single : A 27 ASN : amide:sc= -1.79 K(o=-1.8,f=-2.6) USER MOD Single : A 29 HIS : no HD1:sc= -0.042 X(o=-0.042,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -140:sc= -0.143 USER MOD Single : A 42 ASN : amide:sc= -2.09! C(o=-2.1!,f=-4.7!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.231 X(o=-0.23,f=-0.018) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -1.28! C(o=-1.3!,f=-6.7!) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN : amide:sc= -2.19! X(o=-2.2!,f=-2.1) USER MOD Single : A 76 LYS NZ :NH3+ 138:sc= -0.448 (180deg=-2.38!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -1.39 K(o=-1.4,f=-13!) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot -62:sc= 0.578 USER MOD Single : A 101 THR OG1 : rot 76:sc= 0.781 USER MOD Single : A 102 TYR OH : rot -115:sc= 0.957 USER MOD Single : A 105 THR OG1 : rot -53:sc= 1.04 USER MOD Single : A 106 TYR OH : rot 180:sc= -0.495 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 98 N ASP A 10 12.903 7.255 -0.778 1.00 0.00 N ATOM 99 CA ASP A 10 12.568 7.624 -2.149 1.00 0.00 C ATOM 100 C ASP A 10 12.285 6.385 -2.992 1.00 0.00 C ATOM 101 O ASP A 10 11.250 6.295 -3.653 1.00 0.00 O ATOM 102 CB ASP A 10 13.706 8.432 -2.774 1.00 0.00 C ATOM 103 CG ASP A 10 13.663 9.895 -2.377 1.00 0.00 C ATOM 104 OD1 ASP A 10 12.677 10.576 -2.728 1.00 0.00 O ATOM 105 OD2 ASP A 10 14.617 10.358 -1.716 1.00 0.00 O ATOM 0 HA ASP A 10 11.667 8.238 -2.124 1.00 0.00 H new ATOM 0 HB2 ASP A 10 14.661 8.004 -2.470 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.651 8.351 -3.860 1.00 0.00 H new ATOM 110 N ALA A 11 13.210 5.433 -2.964 1.00 0.00 N ATOM 111 CA ALA A 11 13.059 4.198 -3.725 1.00 0.00 C ATOM 112 C ALA A 11 11.640 3.651 -3.607 1.00 0.00 C ATOM 113 O ALA A 11 11.050 3.212 -4.595 1.00 0.00 O ATOM 114 CB ALA A 11 14.068 3.160 -3.253 1.00 0.00 C ATOM 0 H ALA A 11 14.073 5.492 -2.423 1.00 0.00 H new ATOM 0 HA ALA A 11 13.248 4.422 -4.775 1.00 0.00 H new ATOM 0 HB1 ALA A 11 13.944 2.243 -3.830 1.00 0.00 H new ATOM 0 HB2 ALA A 11 15.078 3.544 -3.395 1.00 0.00 H new ATOM 0 HB3 ALA A 11 13.905 2.949 -2.196 1.00 0.00 H new ATOM 120 N LEU A 12 11.099 3.680 -2.395 1.00 0.00 N ATOM 121 CA LEU A 12 9.748 3.186 -2.148 1.00 0.00 C ATOM 122 C LEU A 12 8.712 4.061 -2.847 1.00 0.00 C ATOM 123 O LEU A 12 7.908 3.575 -3.643 1.00 0.00 O ATOM 124 CB LEU A 12 9.466 3.143 -0.646 1.00 0.00 C ATOM 125 CG LEU A 12 8.213 2.377 -0.219 1.00 0.00 C ATOM 126 CD1 LEU A 12 8.370 0.892 -0.510 1.00 0.00 C ATOM 127 CD2 LEU A 12 7.925 2.606 1.256 1.00 0.00 C ATOM 0 H LEU A 12 11.574 4.040 -1.567 1.00 0.00 H new ATOM 0 HA LEU A 12 9.677 2.177 -2.553 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.327 2.698 -0.148 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.382 4.167 -0.283 1.00 0.00 H new ATOM 0 HG LEU A 12 7.367 2.752 -0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.469 0.363 -0.200 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.527 0.745 -1.579 1.00 0.00 H new ATOM 0 HD13 LEU A 12 9.227 0.502 0.039 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.030 2.053 1.542 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.771 2.260 1.850 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.767 3.670 1.435 1.00 0.00 H new ATOM 139 N LEU A 13 8.739 5.355 -2.545 1.00 0.00 N ATOM 140 CA LEU A 13 7.804 6.299 -3.146 1.00 0.00 C ATOM 141 C LEU A 13 7.670 6.054 -4.646 1.00 0.00 C ATOM 142 O LEU A 13 6.570 6.102 -5.198 1.00 0.00 O ATOM 143 CB LEU A 13 8.266 7.736 -2.892 1.00 0.00 C ATOM 144 CG LEU A 13 7.411 8.836 -3.523 1.00 0.00 C ATOM 145 CD1 LEU A 13 6.153 9.072 -2.702 1.00 0.00 C ATOM 146 CD2 LEU A 13 8.213 10.124 -3.653 1.00 0.00 C ATOM 0 H LEU A 13 9.398 5.774 -1.888 1.00 0.00 H new ATOM 0 HA LEU A 13 6.828 6.150 -2.684 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.299 7.901 -1.815 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.286 7.839 -3.261 1.00 0.00 H new ATOM 0 HG LEU A 13 7.114 8.512 -4.520 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.557 9.858 -3.167 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.569 8.152 -2.658 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.429 9.375 -1.692 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.590 10.897 -4.104 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.539 10.451 -2.666 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.085 9.948 -4.283 1.00 0.00 H new ATOM 158 N LEU A 14 8.795 5.789 -5.299 1.00 0.00 N ATOM 159 CA LEU A 14 8.803 5.534 -6.736 1.00 0.00 C ATOM 160 C LEU A 14 7.975 4.298 -7.074 1.00 0.00 C ATOM 161 O LEU A 14 7.195 4.303 -8.026 1.00 0.00 O ATOM 162 CB LEU A 14 10.238 5.352 -7.233 1.00 0.00 C ATOM 163 CG LEU A 14 10.393 4.820 -8.658 1.00 0.00 C ATOM 164 CD1 LEU A 14 9.870 5.832 -9.665 1.00 0.00 C ATOM 165 CD2 LEU A 14 11.848 4.480 -8.946 1.00 0.00 C ATOM 0 H LEU A 14 9.713 5.745 -4.858 1.00 0.00 H new ATOM 0 HA LEU A 14 8.358 6.395 -7.236 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.748 6.313 -7.168 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.752 4.671 -6.555 1.00 0.00 H new ATOM 0 HG LEU A 14 9.803 3.908 -8.751 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.989 5.436 -10.674 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.815 6.025 -9.472 1.00 0.00 H new ATOM 0 HD13 LEU A 14 10.431 6.762 -9.572 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.939 4.103 -9.965 1.00 0.00 H new ATOM 0 HD22 LEU A 14 12.460 5.375 -8.835 1.00 0.00 H new ATOM 0 HD23 LEU A 14 12.189 3.718 -8.245 1.00 0.00 H new ATOM 177 N TRP A 15 8.149 3.243 -6.286 1.00 0.00 N ATOM 178 CA TRP A 15 7.415 2.000 -6.501 1.00 0.00 C ATOM 179 C TRP A 15 5.912 2.250 -6.508 1.00 0.00 C ATOM 180 O TRP A 15 5.242 2.037 -7.520 1.00 0.00 O ATOM 181 CB TRP A 15 7.771 0.980 -5.418 1.00 0.00 C ATOM 182 CG TRP A 15 7.252 -0.396 -5.705 1.00 0.00 C ATOM 183 CD1 TRP A 15 7.662 -1.234 -6.702 1.00 0.00 C ATOM 184 CD2 TRP A 15 6.226 -1.092 -4.989 1.00 0.00 C ATOM 185 NE1 TRP A 15 6.953 -2.410 -6.649 1.00 0.00 N ATOM 186 CE2 TRP A 15 6.067 -2.348 -5.606 1.00 0.00 C ATOM 187 CE3 TRP A 15 5.430 -0.778 -3.885 1.00 0.00 C ATOM 188 CZ2 TRP A 15 5.142 -3.286 -5.155 1.00 0.00 C ATOM 189 CZ3 TRP A 15 4.511 -1.710 -3.440 1.00 0.00 C ATOM 190 CH2 TRP A 15 4.374 -2.952 -4.074 1.00 0.00 C ATOM 0 H TRP A 15 8.791 3.223 -5.493 1.00 0.00 H new ATOM 0 HA TRP A 15 7.702 1.601 -7.474 1.00 0.00 H new ATOM 0 HB2 TRP A 15 8.855 0.937 -5.312 1.00 0.00 H new ATOM 0 HB3 TRP A 15 7.370 1.320 -4.463 1.00 0.00 H new ATOM 0 HD1 TRP A 15 8.430 -1.006 -7.426 1.00 0.00 H new ATOM 0 HE1 TRP A 15 7.068 -3.201 -7.283 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.531 0.176 -3.388 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 5.035 -4.244 -5.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 3.888 -1.477 -2.589 1.00 0.00 H new ATOM 0 HH2 TRP A 15 3.648 -3.659 -3.702 1.00 0.00 H new ATOM 201 N CYS A 16 5.387 2.704 -5.375 1.00 0.00 N ATOM 202 CA CYS A 16 3.960 2.982 -5.252 1.00 0.00 C ATOM 203 C CYS A 16 3.436 3.698 -6.492 1.00 0.00 C ATOM 204 O CYS A 16 2.345 3.400 -6.977 1.00 0.00 O ATOM 205 CB CYS A 16 3.691 3.830 -4.007 1.00 0.00 C ATOM 206 SG CYS A 16 4.624 3.314 -2.547 1.00 0.00 S ATOM 0 H CYS A 16 5.927 2.887 -4.529 1.00 0.00 H new ATOM 0 HA CYS A 16 3.436 2.031 -5.156 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.931 4.870 -4.230 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.626 3.791 -3.777 1.00 0.00 H new ATOM 0 HG CYS A 16 5.888 3.558 -2.731 1.00 0.00 H new ATOM 212 N GLN A 17 4.220 4.645 -6.998 1.00 0.00 N ATOM 213 CA GLN A 17 3.833 5.404 -8.180 1.00 0.00 C ATOM 214 C GLN A 17 3.731 4.497 -9.402 1.00 0.00 C ATOM 215 O GLN A 17 2.826 4.642 -10.221 1.00 0.00 O ATOM 216 CB GLN A 17 4.840 6.525 -8.445 1.00 0.00 C ATOM 217 CG GLN A 17 4.593 7.774 -7.616 1.00 0.00 C ATOM 218 CD GLN A 17 5.694 8.805 -7.771 1.00 0.00 C ATOM 219 OE1 GLN A 17 6.627 8.622 -8.553 1.00 0.00 O ATOM 220 NE2 GLN A 17 5.590 9.899 -7.025 1.00 0.00 N ATOM 0 H GLN A 17 5.126 4.904 -6.608 1.00 0.00 H new ATOM 0 HA GLN A 17 2.853 5.842 -7.993 1.00 0.00 H new ATOM 0 HB2 GLN A 17 5.845 6.155 -8.239 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.808 6.789 -9.502 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.641 8.218 -7.909 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.505 7.497 -6.565 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.800 10.010 -6.390 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.300 10.628 -7.087 1.00 0.00 H new ATOM 229 N MET A 18 4.669 3.561 -9.518 1.00 0.00 N ATOM 230 CA MET A 18 4.683 2.629 -10.639 1.00 0.00 C ATOM 231 C MET A 18 3.402 1.804 -10.677 1.00 0.00 C ATOM 232 O MET A 18 2.808 1.609 -11.737 1.00 0.00 O ATOM 233 CB MET A 18 5.898 1.704 -10.544 1.00 0.00 C ATOM 234 CG MET A 18 7.228 2.440 -10.571 1.00 0.00 C ATOM 235 SD MET A 18 7.822 2.738 -12.247 1.00 0.00 S ATOM 236 CE MET A 18 9.407 1.905 -12.197 1.00 0.00 C ATOM 0 H MET A 18 5.428 3.429 -8.850 1.00 0.00 H new ATOM 0 HA MET A 18 4.747 3.208 -11.560 1.00 0.00 H new ATOM 0 HB2 MET A 18 5.832 1.125 -9.623 1.00 0.00 H new ATOM 0 HB3 MET A 18 5.869 0.994 -11.370 1.00 0.00 H new ATOM 0 HG2 MET A 18 7.122 3.393 -10.052 1.00 0.00 H new ATOM 0 HG3 MET A 18 7.971 1.860 -10.024 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.899 2.001 -13.165 1.00 0.00 H new ATOM 0 HE2 MET A 18 10.031 2.357 -11.426 1.00 0.00 H new ATOM 0 HE3 MET A 18 9.256 0.850 -11.969 1.00 0.00 H new ATOM 246 N LYS A 19 2.982 1.319 -9.513 1.00 0.00 N ATOM 247 CA LYS A 19 1.770 0.514 -9.412 1.00 0.00 C ATOM 248 C LYS A 19 0.526 1.384 -9.559 1.00 0.00 C ATOM 249 O LYS A 19 -0.284 1.182 -10.464 1.00 0.00 O ATOM 250 CB LYS A 19 1.734 -0.225 -8.072 1.00 0.00 C ATOM 251 CG LYS A 19 3.028 -0.949 -7.742 1.00 0.00 C ATOM 252 CD LYS A 19 3.419 -1.921 -8.843 1.00 0.00 C ATOM 253 CE LYS A 19 4.358 -3.001 -8.324 1.00 0.00 C ATOM 254 NZ LYS A 19 4.284 -4.241 -9.147 1.00 0.00 N ATOM 0 H LYS A 19 3.463 1.469 -8.626 1.00 0.00 H new ATOM 0 HA LYS A 19 1.779 -0.216 -10.222 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.515 0.489 -7.278 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.917 -0.947 -8.086 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.827 -0.221 -7.597 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.914 -1.489 -6.802 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.523 -2.384 -9.257 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.901 -1.378 -9.656 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.381 -2.625 -8.325 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.106 -3.236 -7.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.938 -4.953 -8.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.314 -4.615 -9.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.549 -4.022 -10.129 1.00 0.00 H new ATOM 268 N THR A 20 0.378 2.354 -8.661 1.00 0.00 N ATOM 269 CA THR A 20 -0.767 3.255 -8.690 1.00 0.00 C ATOM 270 C THR A 20 -0.960 3.854 -10.078 1.00 0.00 C ATOM 271 O THR A 20 -2.087 4.099 -10.508 1.00 0.00 O ATOM 272 CB THR A 20 -0.611 4.396 -7.668 1.00 0.00 C ATOM 273 OG1 THR A 20 0.599 5.120 -7.925 1.00 0.00 O ATOM 274 CG2 THR A 20 -0.591 3.853 -6.248 1.00 0.00 C ATOM 0 H THR A 20 1.038 2.535 -7.904 1.00 0.00 H new ATOM 0 HA THR A 20 -1.643 2.661 -8.428 1.00 0.00 H new ATOM 0 HB THR A 20 -1.465 5.066 -7.771 1.00 0.00 H new ATOM 0 HG1 THR A 20 1.351 4.665 -7.491 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.480 4.678 -5.544 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.524 3.327 -6.046 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.246 3.164 -6.134 1.00 0.00 H new ATOM 282 N ALA A 21 0.146 4.086 -10.777 1.00 0.00 N ATOM 283 CA ALA A 21 0.098 4.654 -12.118 1.00 0.00 C ATOM 284 C ALA A 21 -1.119 4.147 -12.885 1.00 0.00 C ATOM 285 O ALA A 21 -1.382 2.947 -12.929 1.00 0.00 O ATOM 286 CB ALA A 21 1.376 4.327 -12.876 1.00 0.00 C ATOM 0 H ALA A 21 1.087 3.889 -10.436 1.00 0.00 H new ATOM 0 HA ALA A 21 0.011 5.737 -12.025 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.326 4.758 -13.876 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.231 4.743 -12.344 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.487 3.245 -12.952 1.00 0.00 H new ATOM 292 N GLY A 22 -1.859 5.073 -13.489 1.00 0.00 N ATOM 293 CA GLY A 22 -3.040 4.700 -14.245 1.00 0.00 C ATOM 294 C GLY A 22 -4.325 5.100 -13.549 1.00 0.00 C ATOM 295 O GLY A 22 -5.180 5.761 -14.139 1.00 0.00 O ATOM 0 H GLY A 22 -1.661 6.073 -13.468 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.002 5.170 -15.228 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -3.039 3.622 -14.407 1.00 0.00 H new ATOM 299 N TYR A 23 -4.464 4.697 -12.290 1.00 0.00 N ATOM 300 CA TYR A 23 -5.656 5.014 -11.513 1.00 0.00 C ATOM 301 C TYR A 23 -5.905 6.520 -11.487 1.00 0.00 C ATOM 302 O TYR A 23 -5.054 7.308 -11.075 1.00 0.00 O ATOM 303 CB TYR A 23 -5.516 4.484 -10.085 1.00 0.00 C ATOM 304 CG TYR A 23 -5.692 2.986 -9.976 1.00 0.00 C ATOM 305 CD1 TYR A 23 -6.951 2.426 -9.795 1.00 0.00 C ATOM 306 CD2 TYR A 23 -4.600 2.131 -10.053 1.00 0.00 C ATOM 307 CE1 TYR A 23 -7.118 1.059 -9.693 1.00 0.00 C ATOM 308 CE2 TYR A 23 -4.757 0.762 -9.954 1.00 0.00 C ATOM 309 CZ TYR A 23 -6.017 0.231 -9.775 1.00 0.00 C ATOM 310 OH TYR A 23 -6.178 -1.132 -9.674 1.00 0.00 O ATOM 0 H TYR A 23 -3.766 4.150 -11.786 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.509 4.531 -11.990 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.533 4.755 -9.700 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.253 4.975 -9.450 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.815 3.072 -9.733 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -3.612 2.543 -10.193 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.103 0.641 -9.550 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -3.897 0.111 -10.016 1.00 0.00 H new ATOM 0 HH TYR A 23 -7.073 -1.331 -9.329 1.00 0.00 H new ATOM 320 N PRO A 24 -7.100 6.929 -11.936 1.00 0.00 N ATOM 321 CA PRO A 24 -7.491 8.341 -11.973 1.00 0.00 C ATOM 322 C PRO A 24 -7.707 8.920 -10.579 1.00 0.00 C ATOM 323 O PRO A 24 -7.166 9.971 -10.242 1.00 0.00 O ATOM 324 CB PRO A 24 -8.807 8.325 -12.755 1.00 0.00 C ATOM 325 CG PRO A 24 -9.355 6.956 -12.546 1.00 0.00 C ATOM 326 CD PRO A 24 -8.164 6.044 -12.442 1.00 0.00 C ATOM 0 HA PRO A 24 -6.719 8.965 -12.423 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.495 9.087 -12.388 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.641 8.528 -13.813 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.960 6.912 -11.641 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -10.000 6.663 -13.375 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.352 5.213 -11.762 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.902 5.613 -13.408 1.00 0.00 H new ATOM 334 N ASN A 25 -8.502 8.225 -9.772 1.00 0.00 N ATOM 335 CA ASN A 25 -8.790 8.670 -8.413 1.00 0.00 C ATOM 336 C ASN A 25 -7.679 8.251 -7.456 1.00 0.00 C ATOM 337 O ASN A 25 -7.924 7.992 -6.277 1.00 0.00 O ATOM 338 CB ASN A 25 -10.128 8.099 -7.940 1.00 0.00 C ATOM 339 CG ASN A 25 -10.821 9.004 -6.938 1.00 0.00 C ATOM 340 OD1 ASN A 25 -10.775 10.228 -7.055 1.00 0.00 O ATOM 341 ND2 ASN A 25 -11.468 8.401 -5.947 1.00 0.00 N ATOM 0 H ASN A 25 -8.958 7.352 -10.035 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.849 9.758 -8.419 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.780 7.948 -8.800 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.963 7.121 -7.489 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.954 8.956 -5.243 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.479 7.383 -5.890 1.00 0.00 H new ATOM 348 N VAL A 26 -6.455 8.187 -7.971 1.00 0.00 N ATOM 349 CA VAL A 26 -5.305 7.801 -7.162 1.00 0.00 C ATOM 350 C VAL A 26 -4.040 8.511 -7.632 1.00 0.00 C ATOM 351 O VAL A 26 -3.770 8.593 -8.830 1.00 0.00 O ATOM 352 CB VAL A 26 -5.072 6.279 -7.207 1.00 0.00 C ATOM 353 CG1 VAL A 26 -3.988 5.875 -6.220 1.00 0.00 C ATOM 354 CG2 VAL A 26 -6.368 5.534 -6.922 1.00 0.00 C ATOM 0 H VAL A 26 -6.234 8.397 -8.944 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.526 8.097 -6.137 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.736 6.010 -8.208 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.838 4.796 -6.266 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.057 6.382 -6.474 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.291 6.156 -5.211 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.186 4.460 -6.958 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.735 5.807 -5.933 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.113 5.801 -7.671 1.00 0.00 H new ATOM 364 N ASN A 27 -3.266 9.021 -6.679 1.00 0.00 N ATOM 365 CA ASN A 27 -2.029 9.725 -6.995 1.00 0.00 C ATOM 366 C ASN A 27 -1.051 9.658 -5.825 1.00 0.00 C ATOM 367 O ASN A 27 -1.282 10.257 -4.775 1.00 0.00 O ATOM 368 CB ASN A 27 -2.323 11.185 -7.345 1.00 0.00 C ATOM 369 CG ASN A 27 -3.190 11.319 -8.583 1.00 0.00 C ATOM 370 OD1 ASN A 27 -4.416 11.230 -8.508 1.00 0.00 O ATOM 371 ND2 ASN A 27 -2.556 11.535 -9.730 1.00 0.00 N ATOM 0 H ASN A 27 -3.474 8.960 -5.682 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.573 9.237 -7.856 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.821 11.665 -6.502 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -1.383 11.714 -7.504 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -3.087 11.634 -10.595 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.538 11.602 -9.745 1.00 0.00 H new ATOM 378 N VAL A 28 0.042 8.926 -6.016 1.00 0.00 N ATOM 379 CA VAL A 28 1.056 8.782 -4.978 1.00 0.00 C ATOM 380 C VAL A 28 2.138 9.847 -5.115 1.00 0.00 C ATOM 381 O VAL A 28 3.083 9.691 -5.889 1.00 0.00 O ATOM 382 CB VAL A 28 1.712 7.389 -5.025 1.00 0.00 C ATOM 383 CG1 VAL A 28 2.596 7.175 -3.806 1.00 0.00 C ATOM 384 CG2 VAL A 28 0.652 6.303 -5.122 1.00 0.00 C ATOM 0 H VAL A 28 0.248 8.424 -6.880 1.00 0.00 H new ATOM 0 HA VAL A 28 0.550 8.905 -4.021 1.00 0.00 H new ATOM 0 HB VAL A 28 2.339 7.332 -5.915 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.051 6.186 -3.856 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.378 7.934 -3.786 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.993 7.252 -2.901 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.134 5.326 -5.154 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.004 6.356 -4.253 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.065 6.448 -6.029 1.00 0.00 H new ATOM 394 N HIS A 29 1.993 10.931 -4.360 1.00 0.00 N ATOM 395 CA HIS A 29 2.959 12.023 -4.396 1.00 0.00 C ATOM 396 C HIS A 29 3.698 12.139 -3.066 1.00 0.00 C ATOM 397 O HIS A 29 4.889 12.445 -3.032 1.00 0.00 O ATOM 398 CB HIS A 29 2.258 13.343 -4.720 1.00 0.00 C ATOM 399 CG HIS A 29 3.198 14.442 -5.106 1.00 0.00 C ATOM 400 ND1 HIS A 29 3.351 14.880 -6.404 1.00 0.00 N ATOM 401 CD2 HIS A 29 4.037 15.195 -4.356 1.00 0.00 C ATOM 402 CE1 HIS A 29 4.244 15.853 -6.437 1.00 0.00 C ATOM 403 NE2 HIS A 29 4.675 16.063 -5.206 1.00 0.00 N ATOM 0 H HIS A 29 1.216 11.077 -3.716 1.00 0.00 H new ATOM 0 HA HIS A 29 3.686 11.805 -5.178 1.00 0.00 H new ATOM 0 HB2 HIS A 29 1.551 13.179 -5.533 1.00 0.00 H new ATOM 0 HB3 HIS A 29 1.679 13.660 -3.853 1.00 0.00 H new ATOM 0 HD2 HIS A 29 4.178 15.125 -3.287 1.00 0.00 H new ATOM 0 HE1 HIS A 29 4.567 16.386 -7.319 1.00 0.00 H new ATOM 0 HE2 HIS A 29 5.370 16.758 -4.932 1.00 0.00 H new ATOM 412 N ASN A 30 2.982 11.893 -1.974 1.00 0.00 N ATOM 413 CA ASN A 30 3.570 11.971 -0.641 1.00 0.00 C ATOM 414 C ASN A 30 3.200 10.747 0.189 1.00 0.00 C ATOM 415 O ASN A 30 2.465 9.870 -0.269 1.00 0.00 O ATOM 416 CB ASN A 30 3.105 13.243 0.070 1.00 0.00 C ATOM 417 CG ASN A 30 1.704 13.655 -0.338 1.00 0.00 C ATOM 418 OD1 ASN A 30 0.740 12.767 -0.121 1.00 0.00 O flip ATOM 419 ND2 ASN A 30 1.491 14.756 -0.844 1.00 0.00 N flip ATOM 0 H ASN A 30 1.994 11.638 -1.985 1.00 0.00 H new ATOM 0 HA ASN A 30 4.654 11.999 -0.750 1.00 0.00 H new ATOM 0 HB2 ASN A 30 3.135 13.085 1.148 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.798 14.054 -0.152 1.00 0.00 H new ATOM 0 HD21 ASN A 30 2.262 15.407 -0.992 1.00 0.00 H new ATOM 0 HD22 ASN A 30 0.543 15.018 -1.115 1.00 0.00 H new ATOM 426 N PHE A 31 3.713 10.691 1.415 1.00 0.00 N ATOM 427 CA PHE A 31 3.436 9.574 2.310 1.00 0.00 C ATOM 428 C PHE A 31 2.530 10.008 3.457 1.00 0.00 C ATOM 429 O PHE A 31 2.460 9.347 4.494 1.00 0.00 O ATOM 430 CB PHE A 31 4.743 9.003 2.864 1.00 0.00 C ATOM 431 CG PHE A 31 5.541 8.235 1.851 1.00 0.00 C ATOM 432 CD1 PHE A 31 4.943 7.247 1.084 1.00 0.00 C ATOM 433 CD2 PHE A 31 6.887 8.500 1.662 1.00 0.00 C ATOM 434 CE1 PHE A 31 5.675 6.537 0.151 1.00 0.00 C ATOM 435 CE2 PHE A 31 7.624 7.795 0.730 1.00 0.00 C ATOM 436 CZ PHE A 31 7.016 6.813 -0.028 1.00 0.00 C ATOM 0 H PHE A 31 4.323 11.407 1.810 1.00 0.00 H new ATOM 0 HA PHE A 31 2.922 8.801 1.739 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.352 9.820 3.250 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.516 8.350 3.706 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.893 7.030 1.217 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.367 9.268 2.251 1.00 0.00 H new ATOM 0 HE1 PHE A 31 5.198 5.767 -0.438 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.673 8.011 0.594 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.589 6.262 -0.759 1.00 0.00 H new ATOM 446 N THR A 32 1.836 11.126 3.265 1.00 0.00 N ATOM 447 CA THR A 32 0.935 11.650 4.284 1.00 0.00 C ATOM 448 C THR A 32 -0.470 11.850 3.725 1.00 0.00 C ATOM 449 O THR A 32 -1.429 11.236 4.192 1.00 0.00 O ATOM 450 CB THR A 32 1.445 12.989 4.850 1.00 0.00 C ATOM 451 OG1 THR A 32 2.202 13.685 3.855 1.00 0.00 O ATOM 452 CG2 THR A 32 2.306 12.760 6.083 1.00 0.00 C ATOM 0 H THR A 32 1.881 11.686 2.413 1.00 0.00 H new ATOM 0 HA THR A 32 0.903 10.913 5.087 1.00 0.00 H new ATOM 0 HB THR A 32 0.582 13.591 5.135 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.521 14.536 4.222 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.655 13.719 6.466 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.717 12.256 6.849 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.163 12.141 5.818 1.00 0.00 H new ATOM 460 N THR A 33 -0.584 12.714 2.720 1.00 0.00 N ATOM 461 CA THR A 33 -1.871 12.996 2.097 1.00 0.00 C ATOM 462 C THR A 33 -2.086 12.130 0.861 1.00 0.00 C ATOM 463 O THR A 33 -2.660 12.579 -0.131 1.00 0.00 O ATOM 464 CB THR A 33 -1.990 14.479 1.699 1.00 0.00 C ATOM 465 OG1 THR A 33 -1.011 14.798 0.704 1.00 0.00 O ATOM 466 CG2 THR A 33 -1.803 15.381 2.909 1.00 0.00 C ATOM 0 H THR A 33 0.200 13.230 2.321 1.00 0.00 H new ATOM 0 HA THR A 33 -2.637 12.764 2.837 1.00 0.00 H new ATOM 0 HB THR A 33 -2.988 14.645 1.293 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.566 13.977 0.407 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.891 16.423 2.603 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.567 15.155 3.653 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.816 15.212 3.340 1.00 0.00 H new ATOM 474 N SER A 34 -1.620 10.887 0.927 1.00 0.00 N ATOM 475 CA SER A 34 -1.758 9.959 -0.190 1.00 0.00 C ATOM 476 C SER A 34 -2.446 8.672 0.257 1.00 0.00 C ATOM 477 O SER A 34 -3.022 7.949 -0.557 1.00 0.00 O ATOM 478 CB SER A 34 -0.387 9.638 -0.785 1.00 0.00 C ATOM 479 OG SER A 34 -0.493 8.679 -1.823 1.00 0.00 O ATOM 0 H SER A 34 -1.144 10.499 1.741 1.00 0.00 H new ATOM 0 HA SER A 34 -2.374 10.434 -0.953 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.067 10.550 -1.173 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.273 9.261 -0.004 1.00 0.00 H new ATOM 0 HG SER A 34 0.254 8.047 -1.762 1.00 0.00 H new ATOM 485 N TRP A 35 -2.379 8.391 1.553 1.00 0.00 N ATOM 486 CA TRP A 35 -2.995 7.192 2.108 1.00 0.00 C ATOM 487 C TRP A 35 -3.995 7.549 3.202 1.00 0.00 C ATOM 488 O TRP A 35 -4.485 6.674 3.917 1.00 0.00 O ATOM 489 CB TRP A 35 -1.922 6.254 2.667 1.00 0.00 C ATOM 490 CG TRP A 35 -0.664 6.239 1.851 1.00 0.00 C ATOM 491 CD1 TRP A 35 0.290 7.215 1.797 1.00 0.00 C ATOM 492 CD2 TRP A 35 -0.226 5.197 0.973 1.00 0.00 C ATOM 493 NE1 TRP A 35 1.295 6.842 0.938 1.00 0.00 N ATOM 494 CE2 TRP A 35 1.003 5.608 0.419 1.00 0.00 C ATOM 495 CE3 TRP A 35 -0.750 3.956 0.601 1.00 0.00 C ATOM 496 CZ2 TRP A 35 1.711 4.823 -0.485 1.00 0.00 C ATOM 497 CZ3 TRP A 35 -0.046 3.178 -0.298 1.00 0.00 C ATOM 498 CH2 TRP A 35 1.175 3.612 -0.832 1.00 0.00 C ATOM 0 H TRP A 35 -1.904 8.977 2.239 1.00 0.00 H new ATOM 0 HA TRP A 35 -3.530 6.684 1.305 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.682 6.555 3.687 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.325 5.243 2.719 1.00 0.00 H new ATOM 0 HD1 TRP A 35 0.259 8.143 2.348 1.00 0.00 H new ATOM 0 HE1 TRP A 35 2.125 7.394 0.721 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.689 3.611 1.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 2.651 5.157 -0.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.444 2.219 -0.594 1.00 0.00 H new ATOM 0 HH2 TRP A 35 1.703 2.979 -1.530 1.00 0.00 H new ATOM 509 N ARG A 36 -4.293 8.838 3.327 1.00 0.00 N ATOM 510 CA ARG A 36 -5.235 9.310 4.335 1.00 0.00 C ATOM 511 C ARG A 36 -6.600 8.653 4.154 1.00 0.00 C ATOM 512 O ARG A 36 -7.215 8.199 5.120 1.00 0.00 O ATOM 513 CB ARG A 36 -5.375 10.831 4.259 1.00 0.00 C ATOM 514 CG ARG A 36 -6.366 11.402 5.262 1.00 0.00 C ATOM 515 CD ARG A 36 -7.768 11.475 4.679 1.00 0.00 C ATOM 516 NE ARG A 36 -7.962 12.677 3.871 1.00 0.00 N ATOM 517 CZ ARG A 36 -8.236 13.871 4.383 1.00 0.00 C ATOM 518 NH1 ARG A 36 -8.345 14.024 5.696 1.00 0.00 N ATOM 519 NH2 ARG A 36 -8.398 14.917 3.582 1.00 0.00 N ATOM 0 H ARG A 36 -3.896 9.574 2.743 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.847 9.036 5.316 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.399 11.286 4.426 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.688 11.109 3.253 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.375 10.783 6.159 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.045 12.398 5.566 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.952 10.593 4.066 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.498 11.460 5.488 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.883 12.594 2.857 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.218 13.223 6.315 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.556 14.942 6.087 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.312 14.804 2.572 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.608 15.834 3.977 1.00 0.00 H new ATOM 533 N ASP A 37 -7.068 8.605 2.911 1.00 0.00 N ATOM 534 CA ASP A 37 -8.360 8.003 2.604 1.00 0.00 C ATOM 535 C ASP A 37 -8.271 6.480 2.638 1.00 0.00 C ATOM 536 O ASP A 37 -9.031 5.820 3.345 1.00 0.00 O ATOM 537 CB ASP A 37 -8.849 8.467 1.231 1.00 0.00 C ATOM 538 CG ASP A 37 -10.330 8.216 1.029 1.00 0.00 C ATOM 539 OD1 ASP A 37 -11.144 8.988 1.579 1.00 0.00 O ATOM 540 OD2 ASP A 37 -10.675 7.248 0.320 1.00 0.00 O ATOM 0 H ASP A 37 -6.572 8.976 2.100 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.073 8.325 3.363 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.645 9.532 1.117 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.286 7.949 0.454 1.00 0.00 H new ATOM 545 N GLY A 38 -7.339 5.929 1.867 1.00 0.00 N ATOM 546 CA GLY A 38 -7.169 4.488 1.822 1.00 0.00 C ATOM 547 C GLY A 38 -7.067 3.960 0.405 1.00 0.00 C ATOM 548 O GLY A 38 -6.355 2.988 0.148 1.00 0.00 O ATOM 0 H GLY A 38 -6.698 6.455 1.272 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.270 4.214 2.374 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.010 4.010 2.325 1.00 0.00 H new ATOM 552 N LEU A 39 -7.780 4.598 -0.515 1.00 0.00 N ATOM 553 CA LEU A 39 -7.767 4.186 -1.914 1.00 0.00 C ATOM 554 C LEU A 39 -6.393 3.659 -2.314 1.00 0.00 C ATOM 555 O LEU A 39 -6.270 2.551 -2.835 1.00 0.00 O ATOM 556 CB LEU A 39 -8.158 5.359 -2.816 1.00 0.00 C ATOM 557 CG LEU A 39 -9.531 5.978 -2.553 1.00 0.00 C ATOM 558 CD1 LEU A 39 -9.783 7.140 -3.501 1.00 0.00 C ATOM 559 CD2 LEU A 39 -10.624 4.930 -2.692 1.00 0.00 C ATOM 0 H LEU A 39 -8.375 5.403 -0.318 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.494 3.383 -2.037 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.404 6.139 -2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.126 5.021 -3.852 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.547 6.358 -1.532 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.765 7.568 -3.299 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.018 7.902 -3.354 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.747 6.784 -4.531 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.594 5.389 -2.501 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.609 4.520 -3.702 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.454 4.129 -1.973 1.00 0.00 H new ATOM 571 N ALA A 40 -5.362 4.460 -2.066 1.00 0.00 N ATOM 572 CA ALA A 40 -3.996 4.072 -2.397 1.00 0.00 C ATOM 573 C ALA A 40 -3.731 2.620 -2.016 1.00 0.00 C ATOM 574 O ALA A 40 -3.240 1.835 -2.827 1.00 0.00 O ATOM 575 CB ALA A 40 -3.004 4.992 -1.701 1.00 0.00 C ATOM 0 H ALA A 40 -5.447 5.382 -1.637 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.868 4.166 -3.475 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.988 4.691 -1.957 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.171 6.019 -2.025 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.141 4.925 -0.622 1.00 0.00 H new ATOM 581 N PHE A 41 -4.058 2.269 -0.776 1.00 0.00 N ATOM 582 CA PHE A 41 -3.853 0.910 -0.287 1.00 0.00 C ATOM 583 C PHE A 41 -4.677 -0.089 -1.095 1.00 0.00 C ATOM 584 O PHE A 41 -4.186 -1.151 -1.474 1.00 0.00 O ATOM 585 CB PHE A 41 -4.225 0.817 1.194 1.00 0.00 C ATOM 586 CG PHE A 41 -3.235 1.485 2.104 1.00 0.00 C ATOM 587 CD1 PHE A 41 -1.915 1.066 2.140 1.00 0.00 C ATOM 588 CD2 PHE A 41 -3.624 2.532 2.924 1.00 0.00 C ATOM 589 CE1 PHE A 41 -1.001 1.678 2.977 1.00 0.00 C ATOM 590 CE2 PHE A 41 -2.715 3.148 3.762 1.00 0.00 C ATOM 591 CZ PHE A 41 -1.402 2.721 3.789 1.00 0.00 C ATOM 0 H PHE A 41 -4.466 2.906 -0.092 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.798 0.663 -0.405 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -5.206 1.269 1.343 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -4.312 -0.233 1.473 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.596 0.251 1.506 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.650 2.870 2.908 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.025 1.341 2.996 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.031 3.963 4.396 1.00 0.00 H new ATOM 0 HZ PHE A 41 -0.690 3.202 4.444 1.00 0.00 H new ATOM 601 N ASN A 42 -5.932 0.262 -1.353 1.00 0.00 N ATOM 602 CA ASN A 42 -6.826 -0.604 -2.114 1.00 0.00 C ATOM 603 C ASN A 42 -6.473 -0.580 -3.598 1.00 0.00 C ATOM 604 O ASN A 42 -7.149 -1.202 -4.417 1.00 0.00 O ATOM 605 CB ASN A 42 -8.280 -0.170 -1.917 1.00 0.00 C ATOM 606 CG ASN A 42 -8.702 -0.207 -0.461 1.00 0.00 C ATOM 607 OD1 ASN A 42 -8.873 -1.278 0.121 1.00 0.00 O ATOM 608 ND2 ASN A 42 -8.874 0.967 0.135 1.00 0.00 N ATOM 0 H ASN A 42 -6.353 1.139 -1.047 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.705 -1.623 -1.746 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.410 0.840 -2.305 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.933 -0.821 -2.498 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.159 1.005 1.114 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.721 1.831 -0.386 1.00 0.00 H new ATOM 615 N ALA A 43 -5.410 0.142 -3.936 1.00 0.00 N ATOM 616 CA ALA A 43 -4.965 0.245 -5.320 1.00 0.00 C ATOM 617 C ALA A 43 -3.795 -0.694 -5.592 1.00 0.00 C ATOM 618 O ALA A 43 -3.707 -1.298 -6.661 1.00 0.00 O ATOM 619 CB ALA A 43 -4.581 1.681 -5.646 1.00 0.00 C ATOM 0 H ALA A 43 -4.841 0.664 -3.270 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.792 -0.053 -5.965 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.251 1.743 -6.683 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.444 2.330 -5.501 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.773 2.000 -4.988 1.00 0.00 H new ATOM 625 N ILE A 44 -2.896 -0.808 -4.619 1.00 0.00 N ATOM 626 CA ILE A 44 -1.730 -1.673 -4.754 1.00 0.00 C ATOM 627 C ILE A 44 -2.145 -3.126 -4.960 1.00 0.00 C ATOM 628 O ILE A 44 -1.711 -3.779 -5.908 1.00 0.00 O ATOM 629 CB ILE A 44 -0.816 -1.581 -3.519 1.00 0.00 C ATOM 630 CG1 ILE A 44 -0.296 -0.153 -3.348 1.00 0.00 C ATOM 631 CG2 ILE A 44 0.341 -2.561 -3.644 1.00 0.00 C ATOM 632 CD1 ILE A 44 0.343 0.100 -1.999 1.00 0.00 C ATOM 0 H ILE A 44 -2.953 -0.312 -3.729 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.180 -1.328 -5.629 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.396 -1.844 -2.634 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.433 0.056 -4.131 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.122 0.545 -3.487 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.979 -2.485 -2.764 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.049 -3.576 -3.723 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.923 -2.325 -4.535 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.689 1.132 -1.948 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.389 -0.077 -1.211 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.190 -0.573 -1.865 1.00 0.00 H new ATOM 644 N VAL A 45 -2.991 -3.627 -4.064 1.00 0.00 N ATOM 645 CA VAL A 45 -3.468 -5.002 -4.147 1.00 0.00 C ATOM 646 C VAL A 45 -4.166 -5.261 -5.478 1.00 0.00 C ATOM 647 O VAL A 45 -3.706 -6.068 -6.287 1.00 0.00 O ATOM 648 CB VAL A 45 -4.437 -5.331 -2.998 1.00 0.00 C ATOM 649 CG1 VAL A 45 -4.920 -6.770 -3.100 1.00 0.00 C ATOM 650 CG2 VAL A 45 -3.775 -5.076 -1.652 1.00 0.00 C ATOM 0 H VAL A 45 -3.360 -3.100 -3.272 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.592 -5.646 -4.067 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.304 -4.676 -3.080 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.604 -6.983 -2.279 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.436 -6.914 -4.049 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.066 -7.445 -3.045 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.475 -5.314 -0.851 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.889 -5.704 -1.558 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.486 -4.027 -1.581 1.00 0.00 H new ATOM 660 N HIS A 46 -5.281 -4.573 -5.699 1.00 0.00 N ATOM 661 CA HIS A 46 -6.044 -4.727 -6.932 1.00 0.00 C ATOM 662 C HIS A 46 -5.117 -5.001 -8.113 1.00 0.00 C ATOM 663 O HIS A 46 -5.392 -5.867 -8.943 1.00 0.00 O ATOM 664 CB HIS A 46 -6.877 -3.473 -7.202 1.00 0.00 C ATOM 665 CG HIS A 46 -7.935 -3.671 -8.244 1.00 0.00 C ATOM 666 ND1 HIS A 46 -7.754 -3.342 -9.571 1.00 0.00 N ATOM 667 CD2 HIS A 46 -9.191 -4.167 -8.148 1.00 0.00 C ATOM 668 CE1 HIS A 46 -8.854 -3.627 -10.246 1.00 0.00 C ATOM 669 NE2 HIS A 46 -9.740 -4.128 -9.405 1.00 0.00 N ATOM 0 H HIS A 46 -5.677 -3.903 -5.040 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.713 -5.579 -6.812 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.349 -3.153 -6.273 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -6.214 -2.667 -7.517 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -6.905 -2.942 -9.969 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -9.671 -4.526 -7.250 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -9.003 -3.476 -11.305 1.00 0.00 H new ATOM 678 N LYS A 47 -4.020 -4.256 -8.182 1.00 0.00 N ATOM 679 CA LYS A 47 -3.052 -4.418 -9.261 1.00 0.00 C ATOM 680 C LYS A 47 -2.507 -5.842 -9.293 1.00 0.00 C ATOM 681 O LYS A 47 -2.441 -6.468 -10.353 1.00 0.00 O ATOM 682 CB LYS A 47 -1.900 -3.423 -9.094 1.00 0.00 C ATOM 683 CG LYS A 47 -1.030 -3.287 -10.332 1.00 0.00 C ATOM 684 CD LYS A 47 -1.640 -2.324 -11.338 1.00 0.00 C ATOM 685 CE LYS A 47 -0.655 -1.980 -12.445 1.00 0.00 C ATOM 686 NZ LYS A 47 -1.351 -1.586 -13.702 1.00 0.00 N ATOM 0 H LYS A 47 -3.778 -3.534 -7.504 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.560 -4.221 -10.205 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.309 -2.446 -8.839 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.278 -3.737 -8.256 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.039 -2.935 -10.045 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.899 -4.265 -10.796 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.536 -2.768 -11.771 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.950 -1.412 -10.829 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.009 -1.166 -12.117 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.012 -2.838 -12.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.646 -1.359 -14.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.948 -2.372 -14.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.945 -0.751 -13.523 1.00 0.00 H new ATOM 700 N HIS A 48 -2.119 -6.349 -8.128 1.00 0.00 N ATOM 701 CA HIS A 48 -1.582 -7.701 -8.024 1.00 0.00 C ATOM 702 C HIS A 48 -2.700 -8.737 -8.094 1.00 0.00 C ATOM 703 O HIS A 48 -2.660 -9.652 -8.917 1.00 0.00 O ATOM 704 CB HIS A 48 -0.801 -7.864 -6.719 1.00 0.00 C ATOM 705 CG HIS A 48 0.145 -6.735 -6.443 1.00 0.00 C ATOM 706 ND1 HIS A 48 0.206 -5.864 -5.408 1.00 0.00 N flip ATOM 707 CD2 HIS A 48 1.180 -6.396 -7.288 1.00 0.00 C flip ATOM 708 CE1 HIS A 48 1.267 -5.025 -5.644 1.00 0.00 C flip ATOM 709 NE2 HIS A 48 1.838 -5.367 -6.785 1.00 0.00 N flip ATOM 0 H HIS A 48 -2.166 -5.845 -7.243 1.00 0.00 H new ATOM 0 HA HIS A 48 -0.908 -7.863 -8.865 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.505 -7.948 -5.891 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -0.239 -8.797 -6.755 1.00 0.00 H new ATOM 0 HD2 HIS A 48 1.416 -6.894 -8.217 1.00 0.00 H new ATOM 0 HE1 HIS A 48 1.583 -4.217 -5.001 1.00 0.00 H new ATOM 0 HE2 HIS A 48 2.649 -4.914 -7.206 1.00 0.00 H new ATOM 718 N ARG A 49 -3.693 -8.587 -7.224 1.00 0.00 N ATOM 719 CA ARG A 49 -4.821 -9.511 -7.186 1.00 0.00 C ATOM 720 C ARG A 49 -6.136 -8.772 -7.420 1.00 0.00 C ATOM 721 O ARG A 49 -6.816 -8.354 -6.483 1.00 0.00 O ATOM 722 CB ARG A 49 -4.865 -10.240 -5.842 1.00 0.00 C ATOM 723 CG ARG A 49 -3.729 -11.231 -5.649 1.00 0.00 C ATOM 724 CD ARG A 49 -4.102 -12.613 -6.167 1.00 0.00 C ATOM 725 NE ARG A 49 -4.561 -12.573 -7.552 1.00 0.00 N ATOM 726 CZ ARG A 49 -3.746 -12.633 -8.599 1.00 0.00 C ATOM 727 NH1 ARG A 49 -2.436 -12.735 -8.419 1.00 0.00 N ATOM 728 NH2 ARG A 49 -4.240 -12.591 -9.830 1.00 0.00 N ATOM 0 H ARG A 49 -3.740 -7.835 -6.536 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.688 -10.242 -7.983 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.835 -9.504 -5.038 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.815 -10.768 -5.755 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.840 -10.874 -6.169 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.475 -11.294 -4.591 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.239 -13.274 -6.090 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.885 -13.037 -5.538 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.563 -12.495 -7.725 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.052 -12.768 -7.475 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.813 -12.781 -9.225 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.247 -12.513 -9.973 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.613 -12.637 -10.633 1.00 0.00 H new ATOM 742 N PRO A 50 -6.504 -8.610 -8.700 1.00 0.00 N ATOM 743 CA PRO A 50 -7.738 -7.922 -9.087 1.00 0.00 C ATOM 744 C PRO A 50 -8.985 -8.726 -8.730 1.00 0.00 C ATOM 745 O PRO A 50 -10.106 -8.318 -9.035 1.00 0.00 O ATOM 746 CB PRO A 50 -7.608 -7.786 -10.606 1.00 0.00 C ATOM 747 CG PRO A 50 -6.701 -8.897 -11.009 1.00 0.00 C ATOM 748 CD PRO A 50 -5.741 -9.083 -9.867 1.00 0.00 C ATOM 0 HA PRO A 50 -7.854 -6.970 -8.569 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.578 -7.870 -11.096 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.194 -6.816 -10.883 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.264 -9.811 -11.198 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -6.170 -8.653 -11.929 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -5.444 -10.126 -9.757 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -4.828 -8.505 -10.011 1.00 0.00 H new ATOM 756 N ASP A 51 -8.782 -9.866 -8.081 1.00 0.00 N ATOM 757 CA ASP A 51 -9.889 -10.726 -7.680 1.00 0.00 C ATOM 758 C ASP A 51 -10.381 -10.362 -6.282 1.00 0.00 C ATOM 759 O ASP A 51 -11.581 -10.197 -6.058 1.00 0.00 O ATOM 760 CB ASP A 51 -9.464 -12.195 -7.718 1.00 0.00 C ATOM 761 CG ASP A 51 -10.546 -13.124 -7.207 1.00 0.00 C ATOM 762 OD1 ASP A 51 -11.565 -13.292 -7.909 1.00 0.00 O ATOM 763 OD2 ASP A 51 -10.375 -13.685 -6.103 1.00 0.00 O ATOM 0 H ASP A 51 -7.860 -10.217 -7.821 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.707 -10.575 -8.385 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.207 -12.469 -8.741 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.564 -12.325 -7.117 1.00 0.00 H new ATOM 768 N LEU A 52 -9.447 -10.241 -5.345 1.00 0.00 N ATOM 769 CA LEU A 52 -9.785 -9.898 -3.968 1.00 0.00 C ATOM 770 C LEU A 52 -10.844 -8.801 -3.924 1.00 0.00 C ATOM 771 O LEU A 52 -11.935 -8.998 -3.389 1.00 0.00 O ATOM 772 CB LEU A 52 -8.534 -9.446 -3.212 1.00 0.00 C ATOM 773 CG LEU A 52 -7.378 -10.446 -3.171 1.00 0.00 C ATOM 774 CD1 LEU A 52 -6.253 -9.925 -2.290 1.00 0.00 C ATOM 775 CD2 LEU A 52 -7.861 -11.801 -2.675 1.00 0.00 C ATOM 0 H LEU A 52 -8.450 -10.375 -5.514 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.191 -10.788 -3.487 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.174 -8.523 -3.665 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.819 -9.208 -2.187 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.993 -10.568 -4.183 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.439 -10.650 -2.273 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.888 -8.978 -2.688 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.625 -9.773 -1.277 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.025 -12.500 -2.653 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.273 -11.695 -1.671 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.632 -12.180 -3.345 1.00 0.00 H new ATOM 787 N LEU A 53 -10.514 -7.646 -4.490 1.00 0.00 N ATOM 788 CA LEU A 53 -11.437 -6.517 -4.518 1.00 0.00 C ATOM 789 C LEU A 53 -11.621 -5.998 -5.941 1.00 0.00 C ATOM 790 O LEU A 53 -10.853 -6.338 -6.840 1.00 0.00 O ATOM 791 CB LEU A 53 -10.926 -5.391 -3.616 1.00 0.00 C ATOM 792 CG LEU A 53 -9.710 -4.620 -4.129 1.00 0.00 C ATOM 793 CD1 LEU A 53 -9.557 -3.306 -3.380 1.00 0.00 C ATOM 794 CD2 LEU A 53 -8.449 -5.462 -3.996 1.00 0.00 C ATOM 0 H LEU A 53 -9.614 -7.466 -4.936 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.403 -6.861 -4.148 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.739 -4.683 -3.456 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.678 -5.816 -2.643 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.864 -4.397 -5.185 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.686 -2.771 -3.759 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.449 -2.697 -3.527 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.426 -3.506 -2.317 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.594 -4.897 -4.366 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.290 -5.716 -2.948 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.559 -6.377 -4.579 1.00 0.00 H new ATOM 806 N ASP A 54 -12.644 -5.173 -6.136 1.00 0.00 N ATOM 807 CA ASP A 54 -12.927 -4.605 -7.449 1.00 0.00 C ATOM 808 C ASP A 54 -12.418 -3.170 -7.542 1.00 0.00 C ATOM 809 O ASP A 54 -11.912 -2.745 -8.581 1.00 0.00 O ATOM 810 CB ASP A 54 -14.430 -4.645 -7.732 1.00 0.00 C ATOM 811 CG ASP A 54 -14.954 -6.060 -7.878 1.00 0.00 C ATOM 812 OD1 ASP A 54 -15.066 -6.759 -6.851 1.00 0.00 O ATOM 813 OD2 ASP A 54 -15.251 -6.467 -9.022 1.00 0.00 O ATOM 0 H ASP A 54 -13.290 -4.883 -5.402 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.408 -5.205 -8.196 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.963 -4.145 -6.923 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.640 -4.087 -8.644 1.00 0.00 H new ATOM 818 N PHE A 55 -12.555 -2.427 -6.449 1.00 0.00 N ATOM 819 CA PHE A 55 -12.110 -1.038 -6.407 1.00 0.00 C ATOM 820 C PHE A 55 -12.948 -0.170 -7.343 1.00 0.00 C ATOM 821 O PHE A 55 -12.440 0.769 -7.954 1.00 0.00 O ATOM 822 CB PHE A 55 -10.633 -0.942 -6.791 1.00 0.00 C ATOM 823 CG PHE A 55 -10.011 0.384 -6.458 1.00 0.00 C ATOM 824 CD1 PHE A 55 -9.519 0.634 -5.188 1.00 0.00 C ATOM 825 CD2 PHE A 55 -9.920 1.382 -7.416 1.00 0.00 C ATOM 826 CE1 PHE A 55 -8.947 1.853 -4.877 1.00 0.00 C ATOM 827 CE2 PHE A 55 -9.349 2.603 -7.111 1.00 0.00 C ATOM 828 CZ PHE A 55 -8.862 2.839 -5.841 1.00 0.00 C ATOM 0 H PHE A 55 -12.971 -2.763 -5.580 1.00 0.00 H new ATOM 0 HA PHE A 55 -12.238 -0.672 -5.388 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -10.081 -1.731 -6.280 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -10.532 -1.123 -7.861 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -9.583 -0.133 -4.431 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -10.299 1.203 -8.411 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -8.567 2.034 -3.882 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -9.284 3.372 -7.866 1.00 0.00 H new ATOM 0 HZ PHE A 55 -8.415 3.793 -5.601 1.00 0.00 H new ATOM 838 N GLU A 56 -14.233 -0.494 -7.448 1.00 0.00 N ATOM 839 CA GLU A 56 -15.141 0.254 -8.309 1.00 0.00 C ATOM 840 C GLU A 56 -16.256 0.900 -7.493 1.00 0.00 C ATOM 841 O GLU A 56 -16.766 1.962 -7.850 1.00 0.00 O ATOM 842 CB GLU A 56 -15.740 -0.663 -9.377 1.00 0.00 C ATOM 843 CG GLU A 56 -16.647 -1.744 -8.812 1.00 0.00 C ATOM 844 CD GLU A 56 -17.499 -2.405 -9.877 1.00 0.00 C ATOM 845 OE1 GLU A 56 -17.027 -2.525 -11.026 1.00 0.00 O ATOM 846 OE2 GLU A 56 -18.639 -2.804 -9.560 1.00 0.00 O ATOM 0 H GLU A 56 -14.668 -1.269 -6.948 1.00 0.00 H new ATOM 0 HA GLU A 56 -14.569 1.042 -8.798 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.306 -0.059 -10.086 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.931 -1.134 -9.935 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -16.039 -2.501 -8.317 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -17.295 -1.308 -8.052 1.00 0.00 H new ATOM 853 N SER A 57 -16.631 0.249 -6.396 1.00 0.00 N ATOM 854 CA SER A 57 -17.690 0.756 -5.531 1.00 0.00 C ATOM 855 C SER A 57 -17.125 1.710 -4.482 1.00 0.00 C ATOM 856 O SER A 57 -17.779 2.677 -4.089 1.00 0.00 O ATOM 857 CB SER A 57 -18.416 -0.402 -4.845 1.00 0.00 C ATOM 858 OG SER A 57 -18.979 -1.287 -5.797 1.00 0.00 O ATOM 0 H SER A 57 -16.217 -0.630 -6.085 1.00 0.00 H new ATOM 0 HA SER A 57 -18.400 1.304 -6.151 1.00 0.00 H new ATOM 0 HB2 SER A 57 -17.719 -0.945 -4.207 1.00 0.00 H new ATOM 0 HB3 SER A 57 -19.202 -0.011 -4.199 1.00 0.00 H new ATOM 0 HG SER A 57 -19.436 -2.019 -5.333 1.00 0.00 H new ATOM 864 N LEU A 58 -15.906 1.430 -4.034 1.00 0.00 N ATOM 865 CA LEU A 58 -15.251 2.263 -3.030 1.00 0.00 C ATOM 866 C LEU A 58 -15.502 3.743 -3.302 1.00 0.00 C ATOM 867 O LEU A 58 -15.484 4.187 -4.450 1.00 0.00 O ATOM 868 CB LEU A 58 -13.747 1.983 -3.012 1.00 0.00 C ATOM 869 CG LEU A 58 -13.333 0.556 -2.650 1.00 0.00 C ATOM 870 CD1 LEU A 58 -11.844 0.357 -2.885 1.00 0.00 C ATOM 871 CD2 LEU A 58 -13.693 0.247 -1.204 1.00 0.00 C ATOM 0 H LEU A 58 -15.352 0.634 -4.349 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.673 2.016 -2.056 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -13.342 2.218 -3.996 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.279 2.666 -2.303 1.00 0.00 H new ATOM 0 HG LEU A 58 -13.877 -0.135 -3.294 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.567 -0.664 -2.622 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.614 0.536 -3.935 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.281 1.056 -2.266 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.391 -0.772 -0.964 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.176 0.944 -0.544 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.770 0.348 -1.067 1.00 0.00 H new ATOM 883 N LYS A 59 -15.735 4.502 -2.237 1.00 0.00 N ATOM 884 CA LYS A 59 -15.985 5.933 -2.358 1.00 0.00 C ATOM 885 C LYS A 59 -15.019 6.731 -1.489 1.00 0.00 C ATOM 886 O LYS A 59 -14.502 6.226 -0.493 1.00 0.00 O ATOM 887 CB LYS A 59 -17.429 6.255 -1.961 1.00 0.00 C ATOM 888 CG LYS A 59 -18.453 5.839 -3.002 1.00 0.00 C ATOM 889 CD LYS A 59 -18.640 6.912 -4.060 1.00 0.00 C ATOM 890 CE LYS A 59 -20.008 6.814 -4.719 1.00 0.00 C ATOM 891 NZ LYS A 59 -19.996 5.886 -5.884 1.00 0.00 N ATOM 0 H LYS A 59 -15.756 4.150 -1.280 1.00 0.00 H new ATOM 0 HA LYS A 59 -15.828 6.216 -3.399 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -17.658 5.756 -1.019 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -17.518 7.327 -1.784 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -18.134 4.911 -3.476 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -19.407 5.637 -2.515 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -18.524 7.896 -3.606 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -17.862 6.816 -4.818 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -20.740 6.470 -3.988 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -20.325 7.804 -5.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -20.946 5.846 -6.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -19.316 6.228 -6.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -19.718 4.935 -5.568 1.00 0.00 H new ATOM 905 N LYS A 60 -14.779 7.980 -1.873 1.00 0.00 N ATOM 906 CA LYS A 60 -13.876 8.850 -1.127 1.00 0.00 C ATOM 907 C LYS A 60 -14.618 9.570 -0.004 1.00 0.00 C ATOM 908 O LYS A 60 -14.411 10.762 0.223 1.00 0.00 O ATOM 909 CB LYS A 60 -13.232 9.874 -2.064 1.00 0.00 C ATOM 910 CG LYS A 60 -11.941 10.464 -1.525 1.00 0.00 C ATOM 911 CD LYS A 60 -10.991 10.850 -2.647 1.00 0.00 C ATOM 912 CE LYS A 60 -11.371 12.186 -3.264 1.00 0.00 C ATOM 913 NZ LYS A 60 -12.588 12.078 -4.117 1.00 0.00 N ATOM 0 H LYS A 60 -15.197 8.413 -2.696 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.097 8.229 -0.685 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.031 9.399 -3.025 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -13.941 10.681 -2.249 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.166 11.342 -0.920 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.456 9.741 -0.869 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.973 10.903 -2.261 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.001 10.077 -3.416 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.546 12.915 -2.473 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.540 12.559 -3.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.502 12.723 -4.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.686 11.101 -4.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.427 12.335 -3.559 1.00 0.00 H new ATOM 927 N CYS A 61 -15.478 8.838 0.694 1.00 0.00 N ATOM 928 CA CYS A 61 -16.249 9.407 1.794 1.00 0.00 C ATOM 929 C CYS A 61 -15.997 8.640 3.088 1.00 0.00 C ATOM 930 O CYS A 61 -15.720 9.234 4.129 1.00 0.00 O ATOM 931 CB CYS A 61 -17.741 9.391 1.460 1.00 0.00 C ATOM 932 SG CYS A 61 -18.746 10.455 2.521 1.00 0.00 S ATOM 0 H CYS A 61 -15.659 7.850 0.518 1.00 0.00 H new ATOM 0 HA CYS A 61 -15.927 10.439 1.936 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -17.874 9.700 0.423 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -18.109 8.368 1.537 1.00 0.00 H new ATOM 0 HG CYS A 61 -19.992 10.375 2.160 1.00 0.00 H new ATOM 938 N ASN A 62 -16.096 7.316 3.015 1.00 0.00 N ATOM 939 CA ASN A 62 -15.881 6.469 4.182 1.00 0.00 C ATOM 940 C ASN A 62 -14.470 5.889 4.180 1.00 0.00 C ATOM 941 O ASN A 62 -14.239 4.792 3.672 1.00 0.00 O ATOM 942 CB ASN A 62 -16.910 5.336 4.211 1.00 0.00 C ATOM 943 CG ASN A 62 -18.270 5.803 4.692 1.00 0.00 C ATOM 944 OD1 ASN A 62 -19.279 5.611 4.013 1.00 0.00 O ATOM 945 ND2 ASN A 62 -18.302 6.419 5.867 1.00 0.00 N ATOM 0 H ASN A 62 -16.324 6.808 2.161 1.00 0.00 H new ATOM 0 HA ASN A 62 -16.001 7.084 5.074 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -17.007 4.911 3.212 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -16.551 4.539 4.863 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -19.189 6.756 6.242 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -17.440 6.556 6.395 1.00 0.00 H new ATOM 952 N ALA A 63 -13.529 6.634 4.752 1.00 0.00 N ATOM 953 CA ALA A 63 -12.141 6.193 4.819 1.00 0.00 C ATOM 954 C ALA A 63 -11.996 4.973 5.724 1.00 0.00 C ATOM 955 O ALA A 63 -11.481 3.937 5.306 1.00 0.00 O ATOM 956 CB ALA A 63 -11.251 7.326 5.309 1.00 0.00 C ATOM 0 H ALA A 63 -13.703 7.545 5.175 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.827 5.907 3.815 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.217 6.983 5.354 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.324 8.169 4.622 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.573 7.638 6.302 1.00 0.00 H new ATOM 962 N HIS A 64 -12.452 5.106 6.965 1.00 0.00 N ATOM 963 CA HIS A 64 -12.370 4.014 7.929 1.00 0.00 C ATOM 964 C HIS A 64 -12.635 2.672 7.253 1.00 0.00 C ATOM 965 O HIS A 64 -11.996 1.670 7.571 1.00 0.00 O ATOM 966 CB HIS A 64 -13.371 4.233 9.064 1.00 0.00 C ATOM 967 CG HIS A 64 -13.345 3.154 10.102 1.00 0.00 C ATOM 968 ND1 HIS A 64 -12.186 2.736 10.723 1.00 0.00 N ATOM 969 CD2 HIS A 64 -14.344 2.409 10.631 1.00 0.00 C ATOM 970 CE1 HIS A 64 -12.474 1.778 11.587 1.00 0.00 C ATOM 971 NE2 HIS A 64 -13.776 1.561 11.550 1.00 0.00 N ATOM 0 H HIS A 64 -12.882 5.957 7.327 1.00 0.00 H new ATOM 0 HA HIS A 64 -11.361 4.000 8.341 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -13.162 5.190 9.542 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -14.375 4.298 8.644 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -15.392 2.470 10.378 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.765 1.261 12.216 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -14.279 0.875 12.113 1.00 0.00 H new ATOM 980 N TYR A 65 -13.582 2.661 6.321 1.00 0.00 N ATOM 981 CA TYR A 65 -13.933 1.442 5.603 1.00 0.00 C ATOM 982 C TYR A 65 -12.875 1.102 4.558 1.00 0.00 C ATOM 983 O TYR A 65 -12.375 -0.021 4.508 1.00 0.00 O ATOM 984 CB TYR A 65 -15.299 1.596 4.932 1.00 0.00 C ATOM 985 CG TYR A 65 -15.642 0.462 3.991 1.00 0.00 C ATOM 986 CD1 TYR A 65 -16.109 -0.752 4.478 1.00 0.00 C ATOM 987 CD2 TYR A 65 -15.501 0.606 2.617 1.00 0.00 C ATOM 988 CE1 TYR A 65 -16.423 -1.791 3.623 1.00 0.00 C ATOM 989 CE2 TYR A 65 -15.814 -0.426 1.754 1.00 0.00 C ATOM 990 CZ TYR A 65 -16.275 -1.623 2.263 1.00 0.00 C ATOM 991 OH TYR A 65 -16.588 -2.655 1.407 1.00 0.00 O ATOM 0 H TYR A 65 -14.120 3.483 6.045 1.00 0.00 H new ATOM 0 HA TYR A 65 -13.980 0.626 6.324 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -16.067 1.663 5.702 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -15.319 2.535 4.379 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -16.229 -0.886 5.543 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -15.140 1.542 2.216 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -16.782 -2.730 4.018 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -15.699 -0.297 0.688 1.00 0.00 H new ATOM 0 HH TYR A 65 -16.429 -2.373 0.482 1.00 0.00 H new ATOM 1001 N ASN A 66 -12.539 2.081 3.724 1.00 0.00 N ATOM 1002 CA ASN A 66 -11.540 1.887 2.680 1.00 0.00 C ATOM 1003 C ASN A 66 -10.240 1.342 3.263 1.00 0.00 C ATOM 1004 O ASN A 66 -9.642 0.415 2.717 1.00 0.00 O ATOM 1005 CB ASN A 66 -11.272 3.204 1.950 1.00 0.00 C ATOM 1006 CG ASN A 66 -12.188 3.404 0.759 1.00 0.00 C ATOM 1007 OD1 ASN A 66 -12.034 2.750 -0.273 1.00 0.00 O ATOM 1008 ND2 ASN A 66 -13.150 4.309 0.896 1.00 0.00 N ATOM 0 H ASN A 66 -12.944 3.017 3.751 1.00 0.00 H new ATOM 0 HA ASN A 66 -11.931 1.159 1.970 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -11.399 4.034 2.645 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -10.235 3.225 1.615 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -13.798 4.485 0.128 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -13.241 4.828 1.769 1.00 0.00 H new ATOM 1015 N LEU A 67 -9.810 1.923 4.378 1.00 0.00 N ATOM 1016 CA LEU A 67 -8.581 1.495 5.038 1.00 0.00 C ATOM 1017 C LEU A 67 -8.745 0.106 5.647 1.00 0.00 C ATOM 1018 O LEU A 67 -8.143 -0.860 5.179 1.00 0.00 O ATOM 1019 CB LEU A 67 -8.188 2.497 6.124 1.00 0.00 C ATOM 1020 CG LEU A 67 -7.871 3.916 5.647 1.00 0.00 C ATOM 1021 CD1 LEU A 67 -8.138 4.924 6.753 1.00 0.00 C ATOM 1022 CD2 LEU A 67 -6.427 4.009 5.176 1.00 0.00 C ATOM 0 H LEU A 67 -10.294 2.691 4.844 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.791 1.452 4.288 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.999 2.552 6.850 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.316 2.109 6.650 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.524 4.150 4.806 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.907 5.927 6.395 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.187 4.876 7.044 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.512 4.693 7.615 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.219 5.025 4.840 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.759 3.754 5.999 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.268 3.314 4.351 1.00 0.00 H new ATOM 1034 N GLN A 68 -9.563 0.015 6.689 1.00 0.00 N ATOM 1035 CA GLN A 68 -9.807 -1.255 7.361 1.00 0.00 C ATOM 1036 C GLN A 68 -10.018 -2.375 6.346 1.00 0.00 C ATOM 1037 O GLN A 68 -9.548 -3.495 6.538 1.00 0.00 O ATOM 1038 CB GLN A 68 -11.026 -1.147 8.279 1.00 0.00 C ATOM 1039 CG GLN A 68 -12.347 -1.079 7.530 1.00 0.00 C ATOM 1040 CD GLN A 68 -13.467 -0.504 8.375 1.00 0.00 C ATOM 1041 OE1 GLN A 68 -13.223 0.206 9.350 1.00 0.00 O ATOM 1042 NE2 GLN A 68 -14.705 -0.808 8.003 1.00 0.00 N ATOM 0 H GLN A 68 -10.069 0.806 7.087 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.930 -1.493 7.962 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.042 -2.006 8.950 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -10.924 -0.258 8.901 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.222 -0.469 6.635 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.624 -2.080 7.198 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.862 -1.400 7.188 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.499 -0.449 8.533 1.00 0.00 H new ATOM 1051 N ASN A 69 -10.728 -2.062 5.268 1.00 0.00 N ATOM 1052 CA ASN A 69 -11.003 -3.043 4.223 1.00 0.00 C ATOM 1053 C ASN A 69 -9.705 -3.614 3.659 1.00 0.00 C ATOM 1054 O ASN A 69 -9.489 -4.824 3.675 1.00 0.00 O ATOM 1055 CB ASN A 69 -11.825 -2.407 3.100 1.00 0.00 C ATOM 1056 CG ASN A 69 -12.218 -3.409 2.033 1.00 0.00 C ATOM 1057 OD1 ASN A 69 -13.164 -4.179 2.207 1.00 0.00 O ATOM 1058 ND2 ASN A 69 -11.495 -3.404 0.920 1.00 0.00 N ATOM 0 H ASN A 69 -11.124 -1.138 5.094 1.00 0.00 H new ATOM 0 HA ASN A 69 -11.576 -3.858 4.665 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.724 -1.958 3.521 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -11.250 -1.601 2.644 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -11.714 -4.055 0.166 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.720 -2.749 0.818 1.00 0.00 H new ATOM 1065 N ALA A 70 -8.846 -2.732 3.158 1.00 0.00 N ATOM 1066 CA ALA A 70 -7.568 -3.147 2.592 1.00 0.00 C ATOM 1067 C ALA A 70 -6.750 -3.941 3.604 1.00 0.00 C ATOM 1068 O ALA A 70 -6.342 -5.072 3.339 1.00 0.00 O ATOM 1069 CB ALA A 70 -6.786 -1.934 2.112 1.00 0.00 C ATOM 0 H ALA A 70 -9.012 -1.726 3.133 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.770 -3.796 1.740 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.834 -2.258 1.692 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.360 -1.410 1.348 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.603 -1.264 2.952 1.00 0.00 H new ATOM 1075 N PHE A 71 -6.512 -3.341 4.766 1.00 0.00 N ATOM 1076 CA PHE A 71 -5.741 -3.992 5.818 1.00 0.00 C ATOM 1077 C PHE A 71 -6.257 -5.403 6.078 1.00 0.00 C ATOM 1078 O PHE A 71 -5.478 -6.344 6.226 1.00 0.00 O ATOM 1079 CB PHE A 71 -5.800 -3.170 7.107 1.00 0.00 C ATOM 1080 CG PHE A 71 -5.259 -1.776 6.955 1.00 0.00 C ATOM 1081 CD1 PHE A 71 -4.143 -1.535 6.171 1.00 0.00 C ATOM 1082 CD2 PHE A 71 -5.867 -0.709 7.595 1.00 0.00 C ATOM 1083 CE1 PHE A 71 -3.642 -0.254 6.030 1.00 0.00 C ATOM 1084 CE2 PHE A 71 -5.371 0.574 7.458 1.00 0.00 C ATOM 1085 CZ PHE A 71 -4.258 0.802 6.674 1.00 0.00 C ATOM 0 H PHE A 71 -6.842 -2.405 5.002 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.705 -4.059 5.485 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.834 -3.115 7.446 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -5.237 -3.687 7.884 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -3.659 -2.357 5.664 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -6.739 -0.881 8.208 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -2.770 -0.079 5.417 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -5.854 1.397 7.964 1.00 0.00 H new ATOM 0 HZ PHE A 71 -3.869 1.804 6.564 1.00 0.00 H new ATOM 1095 N ASN A 72 -7.578 -5.543 6.132 1.00 0.00 N ATOM 1096 CA ASN A 72 -8.200 -6.840 6.375 1.00 0.00 C ATOM 1097 C ASN A 72 -7.877 -7.817 5.249 1.00 0.00 C ATOM 1098 O ASN A 72 -7.544 -8.977 5.495 1.00 0.00 O ATOM 1099 CB ASN A 72 -9.716 -6.683 6.511 1.00 0.00 C ATOM 1100 CG ASN A 72 -10.110 -5.941 7.775 1.00 0.00 C ATOM 1101 OD1 ASN A 72 -9.497 -6.119 8.828 1.00 0.00 O ATOM 1102 ND2 ASN A 72 -11.137 -5.106 7.674 1.00 0.00 N ATOM 0 H ASN A 72 -8.238 -4.775 6.011 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.798 -7.241 7.306 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.102 -6.148 5.644 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -10.182 -7.668 6.511 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -11.448 -4.579 8.490 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -11.615 -4.991 6.780 1.00 0.00 H new ATOM 1109 N LEU A 73 -7.980 -7.342 4.013 1.00 0.00 N ATOM 1110 CA LEU A 73 -7.698 -8.174 2.848 1.00 0.00 C ATOM 1111 C LEU A 73 -6.243 -8.631 2.844 1.00 0.00 C ATOM 1112 O LEU A 73 -5.952 -9.803 2.605 1.00 0.00 O ATOM 1113 CB LEU A 73 -8.007 -7.405 1.562 1.00 0.00 C ATOM 1114 CG LEU A 73 -9.449 -7.484 1.061 1.00 0.00 C ATOM 1115 CD1 LEU A 73 -9.628 -6.637 -0.189 1.00 0.00 C ATOM 1116 CD2 LEU A 73 -9.840 -8.929 0.789 1.00 0.00 C ATOM 0 H LEU A 73 -8.257 -6.386 3.791 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.336 -9.056 2.899 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.756 -6.356 1.721 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.350 -7.775 0.775 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.105 -7.091 1.838 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.661 -6.706 -0.531 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.390 -5.598 0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.962 -6.999 -0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.870 -8.967 0.433 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.179 -9.348 0.031 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.752 -9.509 1.708 1.00 0.00 H new ATOM 1128 N ALA A 74 -5.335 -7.700 3.113 1.00 0.00 N ATOM 1129 CA ALA A 74 -3.910 -8.009 3.145 1.00 0.00 C ATOM 1130 C ALA A 74 -3.545 -8.785 4.406 1.00 0.00 C ATOM 1131 O ALA A 74 -2.615 -9.590 4.402 1.00 0.00 O ATOM 1132 CB ALA A 74 -3.092 -6.730 3.054 1.00 0.00 C ATOM 0 H ALA A 74 -5.560 -6.725 3.312 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.679 -8.637 2.285 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.030 -6.975 3.079 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.324 -6.215 2.122 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.335 -6.082 3.896 1.00 0.00 H new ATOM 1138 N GLU A 75 -4.284 -8.537 5.483 1.00 0.00 N ATOM 1139 CA GLU A 75 -4.035 -9.213 6.751 1.00 0.00 C ATOM 1140 C GLU A 75 -4.574 -10.640 6.721 1.00 0.00 C ATOM 1141 O GLU A 75 -4.227 -11.465 7.568 1.00 0.00 O ATOM 1142 CB GLU A 75 -4.679 -8.437 7.903 1.00 0.00 C ATOM 1143 CG GLU A 75 -4.273 -8.941 9.277 1.00 0.00 C ATOM 1144 CD GLU A 75 -5.356 -8.731 10.319 1.00 0.00 C ATOM 1145 OE1 GLU A 75 -6.490 -9.206 10.098 1.00 0.00 O ATOM 1146 OE2 GLU A 75 -5.070 -8.091 11.352 1.00 0.00 O ATOM 0 H GLU A 75 -5.059 -7.874 5.503 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.957 -9.253 6.907 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.409 -7.384 7.817 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.763 -8.497 7.809 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.035 -10.003 9.215 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.365 -8.429 9.594 1.00 0.00 H new ATOM 1153 N LYS A 76 -5.423 -10.925 5.741 1.00 0.00 N ATOM 1154 CA LYS A 76 -6.010 -12.253 5.598 1.00 0.00 C ATOM 1155 C LYS A 76 -5.411 -12.986 4.402 1.00 0.00 C ATOM 1156 O LYS A 76 -4.864 -14.079 4.545 1.00 0.00 O ATOM 1157 CB LYS A 76 -7.528 -12.148 5.438 1.00 0.00 C ATOM 1158 CG LYS A 76 -8.256 -13.464 5.645 1.00 0.00 C ATOM 1159 CD LYS A 76 -9.621 -13.458 4.981 1.00 0.00 C ATOM 1160 CE LYS A 76 -10.632 -12.660 5.790 1.00 0.00 C ATOM 1161 NZ LYS A 76 -10.435 -11.192 5.629 1.00 0.00 N ATOM 0 H LYS A 76 -5.721 -10.254 5.033 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.785 -12.822 6.500 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.910 -11.416 6.150 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -7.754 -11.771 4.441 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.657 -14.279 5.239 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.371 -13.653 6.712 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.538 -13.034 3.980 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.974 -14.483 4.864 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.641 -12.928 5.476 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.545 -12.925 6.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.360 -10.727 5.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.946 -10.814 6.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.862 -11.010 4.781 1.00 0.00 H new ATOM 1175 N GLU A 77 -5.518 -12.378 3.225 1.00 0.00 N ATOM 1176 CA GLU A 77 -4.986 -12.975 2.006 1.00 0.00 C ATOM 1177 C GLU A 77 -3.466 -13.085 2.073 1.00 0.00 C ATOM 1178 O GLU A 77 -2.916 -14.181 2.181 1.00 0.00 O ATOM 1179 CB GLU A 77 -5.397 -12.147 0.786 1.00 0.00 C ATOM 1180 CG GLU A 77 -6.881 -12.222 0.471 1.00 0.00 C ATOM 1181 CD GLU A 77 -7.284 -13.555 -0.127 1.00 0.00 C ATOM 1182 OE1 GLU A 77 -6.421 -14.215 -0.742 1.00 0.00 O ATOM 1183 OE2 GLU A 77 -8.463 -13.939 0.020 1.00 0.00 O ATOM 0 H GLU A 77 -5.968 -11.473 3.090 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.401 -13.979 1.911 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.122 -11.106 0.955 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.832 -12.489 -0.081 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.451 -12.050 1.384 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.142 -11.423 -0.223 1.00 0.00 H new ATOM 1190 N LEU A 78 -2.793 -11.941 2.006 1.00 0.00 N ATOM 1191 CA LEU A 78 -1.336 -11.908 2.057 1.00 0.00 C ATOM 1192 C LEU A 78 -0.824 -12.467 3.381 1.00 0.00 C ATOM 1193 O LEU A 78 0.149 -13.218 3.416 1.00 0.00 O ATOM 1194 CB LEU A 78 -0.832 -10.475 1.867 1.00 0.00 C ATOM 1195 CG LEU A 78 -1.417 -9.710 0.680 1.00 0.00 C ATOM 1196 CD1 LEU A 78 -1.003 -8.249 0.730 1.00 0.00 C ATOM 1197 CD2 LEU A 78 -0.979 -10.345 -0.632 1.00 0.00 C ATOM 0 H LEU A 78 -3.233 -11.025 1.916 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.955 -12.532 1.249 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.045 -9.913 2.776 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.252 -10.504 1.756 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.504 -9.761 0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.429 -7.721 -0.123 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.367 -7.799 1.654 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.084 -8.177 0.695 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.405 -9.787 -1.466 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.109 -10.326 -0.700 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.327 -11.377 -0.671 1.00 0.00 H new ATOM 1209 N GLY A 79 -1.490 -12.096 4.471 1.00 0.00 N ATOM 1210 CA GLY A 79 -1.090 -12.571 5.782 1.00 0.00 C ATOM 1211 C GLY A 79 -0.122 -11.629 6.471 1.00 0.00 C ATOM 1212 O GLY A 79 0.840 -12.068 7.101 1.00 0.00 O ATOM 0 H GLY A 79 -2.299 -11.475 4.469 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.976 -12.696 6.405 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -0.628 -13.553 5.683 1.00 0.00 H new ATOM 1216 N LEU A 80 -0.374 -10.330 6.347 1.00 0.00 N ATOM 1217 CA LEU A 80 0.484 -9.323 6.961 1.00 0.00 C ATOM 1218 C LEU A 80 -0.075 -8.878 8.308 1.00 0.00 C ATOM 1219 O LEU A 80 -1.286 -8.909 8.532 1.00 0.00 O ATOM 1220 CB LEU A 80 0.630 -8.116 6.033 1.00 0.00 C ATOM 1221 CG LEU A 80 1.372 -8.365 4.719 1.00 0.00 C ATOM 1222 CD1 LEU A 80 1.104 -7.238 3.733 1.00 0.00 C ATOM 1223 CD2 LEU A 80 2.866 -8.512 4.970 1.00 0.00 C ATOM 0 H LEU A 80 -1.165 -9.950 5.827 1.00 0.00 H new ATOM 0 HA LEU A 80 1.465 -9.769 7.126 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.366 -7.740 5.799 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.149 -7.326 6.576 1.00 0.00 H new ATOM 0 HG LEU A 80 1.003 -9.295 4.286 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.640 -7.432 2.804 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.035 -7.179 3.530 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.445 -6.294 4.158 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.378 -8.689 4.024 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.250 -7.599 5.426 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.041 -9.354 5.640 1.00 0.00 H new ATOM 1235 N THR A 81 0.814 -8.463 9.205 1.00 0.00 N ATOM 1236 CA THR A 81 0.410 -8.011 10.530 1.00 0.00 C ATOM 1237 C THR A 81 0.035 -6.533 10.516 1.00 0.00 C ATOM 1238 O THR A 81 0.868 -5.673 10.226 1.00 0.00 O ATOM 1239 CB THR A 81 1.528 -8.236 11.566 1.00 0.00 C ATOM 1240 OG1 THR A 81 1.849 -9.629 11.645 1.00 0.00 O ATOM 1241 CG2 THR A 81 1.105 -7.729 12.937 1.00 0.00 C ATOM 0 H THR A 81 1.820 -8.431 9.037 1.00 0.00 H new ATOM 0 HA THR A 81 -0.461 -8.601 10.813 1.00 0.00 H new ATOM 0 HB THR A 81 2.408 -7.678 11.246 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.562 -9.764 12.304 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.910 -7.899 13.652 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.889 -6.662 12.880 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.212 -8.263 13.263 1.00 0.00 H new ATOM 1249 N LYS A 82 -1.222 -6.243 10.832 1.00 0.00 N ATOM 1250 CA LYS A 82 -1.708 -4.869 10.858 1.00 0.00 C ATOM 1251 C LYS A 82 -0.882 -4.018 11.817 1.00 0.00 C ATOM 1252 O LYS A 82 -0.889 -4.244 13.028 1.00 0.00 O ATOM 1253 CB LYS A 82 -3.182 -4.835 11.270 1.00 0.00 C ATOM 1254 CG LYS A 82 -4.143 -4.935 10.099 1.00 0.00 C ATOM 1255 CD LYS A 82 -5.542 -4.486 10.485 1.00 0.00 C ATOM 1256 CE LYS A 82 -6.247 -5.531 11.337 1.00 0.00 C ATOM 1257 NZ LYS A 82 -7.446 -4.971 12.020 1.00 0.00 N ATOM 0 H LYS A 82 -1.924 -6.942 11.074 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.608 -4.456 9.854 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -3.377 -5.656 11.960 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.378 -3.910 11.812 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -3.778 -4.323 9.275 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -4.176 -5.964 9.741 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -5.485 -3.546 11.033 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -6.126 -4.295 9.584 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -6.545 -6.371 10.709 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -5.553 -5.921 12.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -7.899 -5.713 12.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -7.158 -4.186 12.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -8.119 -4.622 11.308 1.00 0.00 H new ATOM 1271 N LEU A 83 -0.172 -3.039 11.269 1.00 0.00 N ATOM 1272 CA LEU A 83 0.659 -2.152 12.077 1.00 0.00 C ATOM 1273 C LEU A 83 -0.074 -0.850 12.386 1.00 0.00 C ATOM 1274 O LEU A 83 0.021 -0.319 13.494 1.00 0.00 O ATOM 1275 CB LEU A 83 1.972 -1.851 11.353 1.00 0.00 C ATOM 1276 CG LEU A 83 2.715 -3.059 10.781 1.00 0.00 C ATOM 1277 CD1 LEU A 83 3.842 -2.608 9.864 1.00 0.00 C ATOM 1278 CD2 LEU A 83 3.255 -3.934 11.902 1.00 0.00 C ATOM 0 H LEU A 83 -0.154 -2.839 10.269 1.00 0.00 H new ATOM 0 HA LEU A 83 0.877 -2.657 13.018 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.764 -1.158 10.538 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.637 -1.336 12.047 1.00 0.00 H new ATOM 0 HG LEU A 83 2.011 -3.649 10.194 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.359 -3.481 9.467 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.430 -2.025 9.041 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.546 -1.995 10.427 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.781 -4.788 11.476 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.944 -3.354 12.517 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.428 -4.287 12.518 1.00 0.00 H new ATOM 1290 N LEU A 84 -0.807 -0.342 11.402 1.00 0.00 N ATOM 1291 CA LEU A 84 -1.558 0.897 11.569 1.00 0.00 C ATOM 1292 C LEU A 84 -3.038 0.608 11.803 1.00 0.00 C ATOM 1293 O LEU A 84 -3.460 -0.548 11.822 1.00 0.00 O ATOM 1294 CB LEU A 84 -1.390 1.788 10.337 1.00 0.00 C ATOM 1295 CG LEU A 84 0.037 2.238 10.024 1.00 0.00 C ATOM 1296 CD1 LEU A 84 0.123 2.796 8.612 1.00 0.00 C ATOM 1297 CD2 LEU A 84 0.505 3.272 11.038 1.00 0.00 C ATOM 0 H LEU A 84 -0.897 -0.769 10.480 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.165 1.417 12.442 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.779 1.253 9.471 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.009 2.676 10.468 1.00 0.00 H new ATOM 0 HG LEU A 84 0.694 1.371 10.090 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.146 3.111 8.407 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.169 2.026 7.898 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.546 3.651 8.517 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.523 3.581 10.799 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.155 4.139 11.004 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.482 2.838 12.037 1.00 0.00 H new ATOM 1309 N ASP A 85 -3.822 1.667 11.979 1.00 0.00 N ATOM 1310 CA ASP A 85 -5.254 1.528 12.208 1.00 0.00 C ATOM 1311 C ASP A 85 -6.050 2.296 11.158 1.00 0.00 C ATOM 1312 O ASP A 85 -5.625 3.341 10.663 1.00 0.00 O ATOM 1313 CB ASP A 85 -5.620 2.025 13.608 1.00 0.00 C ATOM 1314 CG ASP A 85 -5.185 1.062 14.696 1.00 0.00 C ATOM 1315 OD1 ASP A 85 -5.914 0.079 14.942 1.00 0.00 O ATOM 1316 OD2 ASP A 85 -4.118 1.293 15.301 1.00 0.00 O ATOM 0 H ASP A 85 -3.489 2.631 11.967 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.508 0.471 12.129 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.155 2.996 13.779 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.698 2.173 13.668 1.00 0.00 H new ATOM 1321 N PRO A 86 -7.233 1.770 10.809 1.00 0.00 N ATOM 1322 CA PRO A 86 -8.113 2.391 9.814 1.00 0.00 C ATOM 1323 C PRO A 86 -8.731 3.691 10.316 1.00 0.00 C ATOM 1324 O PRO A 86 -9.515 4.327 9.614 1.00 0.00 O ATOM 1325 CB PRO A 86 -9.198 1.334 9.591 1.00 0.00 C ATOM 1326 CG PRO A 86 -9.220 0.543 10.853 1.00 0.00 C ATOM 1327 CD PRO A 86 -7.803 0.529 11.358 1.00 0.00 C ATOM 0 HA PRO A 86 -7.573 2.665 8.908 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -10.166 1.795 9.396 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -8.966 0.704 8.732 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -9.891 0.994 11.585 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -9.580 -0.470 10.672 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -7.765 0.517 12.447 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -7.261 -0.350 11.010 1.00 0.00 H new ATOM 1335 N GLU A 87 -8.370 4.080 11.535 1.00 0.00 N ATOM 1336 CA GLU A 87 -8.890 5.305 12.131 1.00 0.00 C ATOM 1337 C GLU A 87 -7.763 6.294 12.412 1.00 0.00 C ATOM 1338 O GLU A 87 -7.989 7.501 12.499 1.00 0.00 O ATOM 1339 CB GLU A 87 -9.642 4.990 13.425 1.00 0.00 C ATOM 1340 CG GLU A 87 -8.818 4.204 14.432 1.00 0.00 C ATOM 1341 CD GLU A 87 -9.561 3.961 15.732 1.00 0.00 C ATOM 1342 OE1 GLU A 87 -10.444 3.078 15.754 1.00 0.00 O ATOM 1343 OE2 GLU A 87 -9.260 4.655 16.725 1.00 0.00 O ATOM 0 H GLU A 87 -7.720 3.565 12.129 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.580 5.760 11.420 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.966 5.924 13.884 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -10.542 4.424 13.184 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.535 3.246 13.995 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.895 4.744 14.641 1.00 0.00 H new ATOM 1350 N ASP A 88 -6.548 5.774 12.555 1.00 0.00 N ATOM 1351 CA ASP A 88 -5.385 6.609 12.826 1.00 0.00 C ATOM 1352 C ASP A 88 -4.790 7.150 11.529 1.00 0.00 C ATOM 1353 O ASP A 88 -4.088 8.162 11.530 1.00 0.00 O ATOM 1354 CB ASP A 88 -4.328 5.814 13.595 1.00 0.00 C ATOM 1355 CG ASP A 88 -4.502 5.920 15.096 1.00 0.00 C ATOM 1356 OD1 ASP A 88 -3.920 6.846 15.698 1.00 0.00 O ATOM 1357 OD2 ASP A 88 -5.223 5.077 15.671 1.00 0.00 O ATOM 0 H ASP A 88 -6.344 4.777 12.487 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.708 7.453 13.436 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -4.380 4.766 13.299 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.336 6.174 13.321 1.00 0.00 H new ATOM 1362 N VAL A 89 -5.075 6.469 10.424 1.00 0.00 N ATOM 1363 CA VAL A 89 -4.568 6.880 9.120 1.00 0.00 C ATOM 1364 C VAL A 89 -5.352 8.068 8.576 1.00 0.00 C ATOM 1365 O VAL A 89 -4.771 9.072 8.165 1.00 0.00 O ATOM 1366 CB VAL A 89 -4.634 5.726 8.103 1.00 0.00 C ATOM 1367 CG1 VAL A 89 -4.355 6.237 6.698 1.00 0.00 C ATOM 1368 CG2 VAL A 89 -3.656 4.624 8.483 1.00 0.00 C ATOM 0 H VAL A 89 -5.655 5.630 10.406 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.527 7.170 9.262 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.640 5.308 8.119 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.406 5.408 5.992 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.098 6.988 6.430 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.361 6.682 6.664 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.716 3.817 7.753 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.643 5.026 8.497 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.907 4.239 9.471 1.00 0.00 H new ATOM 1378 N ASN A 90 -6.676 7.948 8.579 1.00 0.00 N ATOM 1379 CA ASN A 90 -7.541 9.013 8.086 1.00 0.00 C ATOM 1380 C ASN A 90 -7.383 10.276 8.926 1.00 0.00 C ATOM 1381 O ASN A 90 -8.190 10.549 9.816 1.00 0.00 O ATOM 1382 CB ASN A 90 -9.002 8.559 8.098 1.00 0.00 C ATOM 1383 CG ASN A 90 -9.311 7.638 9.262 1.00 0.00 C ATOM 1384 OD1 ASN A 90 -8.711 6.572 9.401 1.00 0.00 O ATOM 1385 ND2 ASN A 90 -10.252 8.046 10.106 1.00 0.00 N ATOM 0 H ASN A 90 -7.173 7.124 8.917 1.00 0.00 H new ATOM 0 HA ASN A 90 -7.246 9.240 7.062 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -9.651 9.433 8.148 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -9.228 8.047 7.163 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -10.503 7.468 10.908 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -10.724 8.937 9.952 1.00 0.00 H new ATOM 1392 N VAL A 91 -6.338 11.045 8.639 1.00 0.00 N ATOM 1393 CA VAL A 91 -6.074 12.281 9.367 1.00 0.00 C ATOM 1394 C VAL A 91 -5.470 13.340 8.451 1.00 0.00 C ATOM 1395 O VAL A 91 -4.881 13.020 7.418 1.00 0.00 O ATOM 1396 CB VAL A 91 -5.122 12.041 10.554 1.00 0.00 C ATOM 1397 CG1 VAL A 91 -3.711 11.760 10.058 1.00 0.00 C ATOM 1398 CG2 VAL A 91 -5.137 13.234 11.498 1.00 0.00 C ATOM 0 H VAL A 91 -5.660 10.834 7.907 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.032 12.636 9.746 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.468 11.167 11.105 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.052 11.593 10.910 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.718 10.873 9.425 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.351 12.613 9.483 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.459 13.048 12.331 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.816 14.127 10.961 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.147 13.384 11.879 1.00 0.00 H new ATOM 1408 N ASP A 92 -5.619 14.603 8.837 1.00 0.00 N ATOM 1409 CA ASP A 92 -5.086 15.710 8.052 1.00 0.00 C ATOM 1410 C ASP A 92 -3.638 15.446 7.651 1.00 0.00 C ATOM 1411 O ASP A 92 -3.295 15.485 6.469 1.00 0.00 O ATOM 1412 CB ASP A 92 -5.179 17.015 8.843 1.00 0.00 C ATOM 1413 CG ASP A 92 -6.610 17.393 9.172 1.00 0.00 C ATOM 1414 OD1 ASP A 92 -7.141 16.886 10.182 1.00 0.00 O ATOM 1415 OD2 ASP A 92 -7.199 18.196 8.418 1.00 0.00 O ATOM 0 H ASP A 92 -6.104 14.885 9.689 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.684 15.800 7.145 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.611 16.917 9.768 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.717 17.818 8.269 1.00 0.00 H new ATOM 1420 N GLN A 93 -2.795 15.176 8.642 1.00 0.00 N ATOM 1421 CA GLN A 93 -1.384 14.908 8.392 1.00 0.00 C ATOM 1422 C GLN A 93 -0.909 13.701 9.194 1.00 0.00 C ATOM 1423 O GLN A 93 -0.389 13.827 10.303 1.00 0.00 O ATOM 1424 CB GLN A 93 -0.539 16.133 8.745 1.00 0.00 C ATOM 1425 CG GLN A 93 -0.959 17.395 8.007 1.00 0.00 C ATOM 1426 CD GLN A 93 -0.647 18.657 8.787 1.00 0.00 C ATOM 1427 OE1 GLN A 93 0.395 18.760 9.434 1.00 0.00 O ATOM 1428 NE2 GLN A 93 -1.552 19.628 8.728 1.00 0.00 N ATOM 0 H GLN A 93 -3.064 15.137 9.625 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.265 14.687 7.331 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.603 16.311 9.818 1.00 0.00 H new ATOM 0 HB3 GLN A 93 0.506 15.921 8.519 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -0.452 17.433 7.043 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.029 17.353 7.803 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -2.402 19.500 8.179 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -1.396 20.501 9.231 1.00 0.00 H new ATOM 1437 N PRO A 94 -1.091 12.501 8.622 1.00 0.00 N ATOM 1438 CA PRO A 94 -0.689 11.247 9.268 1.00 0.00 C ATOM 1439 C PRO A 94 0.827 11.092 9.338 1.00 0.00 C ATOM 1440 O PRO A 94 1.560 11.713 8.567 1.00 0.00 O ATOM 1441 CB PRO A 94 -1.295 10.173 8.361 1.00 0.00 C ATOM 1442 CG PRO A 94 -1.418 10.825 7.029 1.00 0.00 C ATOM 1443 CD PRO A 94 -1.705 12.276 7.303 1.00 0.00 C ATOM 0 HA PRO A 94 -1.028 11.193 10.302 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.657 9.291 8.312 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -2.266 9.844 8.732 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.500 10.711 6.452 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.219 10.372 6.445 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.270 12.923 6.541 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.776 12.478 7.318 1.00 0.00 H new ATOM 1451 N ASP A 95 1.290 10.262 10.265 1.00 0.00 N ATOM 1452 CA ASP A 95 2.718 10.025 10.435 1.00 0.00 C ATOM 1453 C ASP A 95 3.300 9.321 9.213 1.00 0.00 C ATOM 1454 O ASP A 95 3.319 8.092 9.145 1.00 0.00 O ATOM 1455 CB ASP A 95 2.972 9.189 11.690 1.00 0.00 C ATOM 1456 CG ASP A 95 2.771 9.984 12.966 1.00 0.00 C ATOM 1457 OD1 ASP A 95 3.389 11.062 13.098 1.00 0.00 O ATOM 1458 OD2 ASP A 95 1.994 9.531 13.831 1.00 0.00 O ATOM 0 H ASP A 95 0.697 9.741 10.911 1.00 0.00 H new ATOM 0 HA ASP A 95 3.212 10.991 10.546 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.302 8.329 11.692 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.990 8.800 11.664 1.00 0.00 H new ATOM 1463 N GLU A 96 3.774 10.107 8.253 1.00 0.00 N ATOM 1464 CA GLU A 96 4.355 9.557 7.033 1.00 0.00 C ATOM 1465 C GLU A 96 5.243 8.358 7.347 1.00 0.00 C ATOM 1466 O GLU A 96 5.232 7.356 6.631 1.00 0.00 O ATOM 1467 CB GLU A 96 5.165 10.628 6.300 1.00 0.00 C ATOM 1468 CG GLU A 96 6.309 11.196 7.125 1.00 0.00 C ATOM 1469 CD GLU A 96 5.827 12.065 8.270 1.00 0.00 C ATOM 1470 OE1 GLU A 96 5.507 13.246 8.026 1.00 0.00 O ATOM 1471 OE2 GLU A 96 5.770 11.562 9.412 1.00 0.00 O ATOM 0 H GLU A 96 3.768 11.126 8.295 1.00 0.00 H new ATOM 0 HA GLU A 96 3.540 9.225 6.390 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.567 10.202 5.381 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.499 11.440 6.010 1.00 0.00 H new ATOM 0 HG2 GLU A 96 6.907 10.376 7.523 1.00 0.00 H new ATOM 0 HG3 GLU A 96 6.962 11.782 6.479 1.00 0.00 H new ATOM 1478 N LYS A 97 6.015 8.465 8.423 1.00 0.00 N ATOM 1479 CA LYS A 97 6.910 7.390 8.835 1.00 0.00 C ATOM 1480 C LYS A 97 6.123 6.135 9.198 1.00 0.00 C ATOM 1481 O LYS A 97 6.519 5.021 8.856 1.00 0.00 O ATOM 1482 CB LYS A 97 7.760 7.835 10.027 1.00 0.00 C ATOM 1483 CG LYS A 97 8.974 8.661 9.635 1.00 0.00 C ATOM 1484 CD LYS A 97 8.655 10.147 9.619 1.00 0.00 C ATOM 1485 CE LYS A 97 9.484 10.884 8.579 1.00 0.00 C ATOM 1486 NZ LYS A 97 10.899 11.052 9.016 1.00 0.00 N ATOM 0 H LYS A 97 6.039 9.287 9.027 1.00 0.00 H new ATOM 0 HA LYS A 97 7.566 7.156 7.996 1.00 0.00 H new ATOM 0 HB2 LYS A 97 7.139 8.418 10.708 1.00 0.00 H new ATOM 0 HB3 LYS A 97 8.093 6.953 10.575 1.00 0.00 H new ATOM 0 HG2 LYS A 97 9.787 8.470 10.335 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.323 8.352 8.650 1.00 0.00 H new ATOM 0 HD2 LYS A 97 7.595 10.290 9.409 1.00 0.00 H new ATOM 0 HD3 LYS A 97 8.845 10.572 10.605 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.457 10.335 7.638 1.00 0.00 H new ATOM 0 HE3 LYS A 97 9.043 11.863 8.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.432 11.559 8.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 10.927 11.597 9.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 11.328 10.117 9.172 1.00 0.00 H new ATOM 1500 N SER A 98 5.005 6.324 9.893 1.00 0.00 N ATOM 1501 CA SER A 98 4.164 5.207 10.305 1.00 0.00 C ATOM 1502 C SER A 98 3.567 4.501 9.092 1.00 0.00 C ATOM 1503 O SER A 98 3.148 3.346 9.176 1.00 0.00 O ATOM 1504 CB SER A 98 3.045 5.696 11.227 1.00 0.00 C ATOM 1505 OG SER A 98 1.881 6.022 10.487 1.00 0.00 O ATOM 0 H SER A 98 4.661 7.240 10.182 1.00 0.00 H new ATOM 0 HA SER A 98 4.787 4.496 10.848 1.00 0.00 H new ATOM 0 HB2 SER A 98 2.810 4.924 11.960 1.00 0.00 H new ATOM 0 HB3 SER A 98 3.383 6.571 11.783 1.00 0.00 H new ATOM 0 HG SER A 98 2.080 6.758 9.871 1.00 0.00 H new ATOM 1511 N ILE A 99 3.530 5.204 7.965 1.00 0.00 N ATOM 1512 CA ILE A 99 2.984 4.645 6.734 1.00 0.00 C ATOM 1513 C ILE A 99 4.081 4.015 5.883 1.00 0.00 C ATOM 1514 O ILE A 99 3.954 2.876 5.432 1.00 0.00 O ATOM 1515 CB ILE A 99 2.258 5.719 5.901 1.00 0.00 C ATOM 1516 CG1 ILE A 99 1.103 6.322 6.704 1.00 0.00 C ATOM 1517 CG2 ILE A 99 1.750 5.124 4.597 1.00 0.00 C ATOM 1518 CD1 ILE A 99 0.390 7.446 5.985 1.00 0.00 C ATOM 0 H ILE A 99 3.871 6.161 7.879 1.00 0.00 H new ATOM 0 HA ILE A 99 2.268 3.878 7.027 1.00 0.00 H new ATOM 0 HB ILE A 99 2.965 6.514 5.663 1.00 0.00 H new ATOM 0 HG12 ILE A 99 0.384 5.537 6.937 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.487 6.695 7.654 1.00 0.00 H new ATOM 0 HG21 ILE A 99 1.240 5.895 4.020 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.591 4.737 4.022 1.00 0.00 H new ATOM 0 HG23 ILE A 99 1.055 4.313 4.814 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -0.416 7.826 6.612 1.00 0.00 H new ATOM 0 HD12 ILE A 99 1.096 8.250 5.776 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -0.024 7.074 5.048 1.00 0.00 H new ATOM 1530 N ILE A 100 5.159 4.762 5.669 1.00 0.00 N ATOM 1531 CA ILE A 100 6.280 4.275 4.875 1.00 0.00 C ATOM 1532 C ILE A 100 6.705 2.880 5.321 1.00 0.00 C ATOM 1533 O ILE A 100 7.102 2.048 4.504 1.00 0.00 O ATOM 1534 CB ILE A 100 7.491 5.223 4.969 1.00 0.00 C ATOM 1535 CG1 ILE A 100 7.152 6.581 4.351 1.00 0.00 C ATOM 1536 CG2 ILE A 100 8.700 4.607 4.280 1.00 0.00 C ATOM 1537 CD1 ILE A 100 7.920 7.731 4.962 1.00 0.00 C ATOM 0 H ILE A 100 5.280 5.707 6.034 1.00 0.00 H new ATOM 0 HA ILE A 100 5.940 4.235 3.840 1.00 0.00 H new ATOM 0 HB ILE A 100 7.735 5.375 6.020 1.00 0.00 H new ATOM 0 HG12 ILE A 100 7.357 6.546 3.281 1.00 0.00 H new ATOM 0 HG13 ILE A 100 6.084 6.767 4.465 1.00 0.00 H new ATOM 0 HG21 ILE A 100 9.548 5.288 4.355 1.00 0.00 H new ATOM 0 HG22 ILE A 100 8.951 3.662 4.761 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.469 4.429 3.230 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.629 8.662 4.475 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.696 7.793 6.027 1.00 0.00 H new ATOM 0 HD13 ILE A 100 8.989 7.568 4.825 1.00 0.00 H new ATOM 1549 N THR A 101 6.618 2.629 6.624 1.00 0.00 N ATOM 1550 CA THR A 101 6.991 1.334 7.179 1.00 0.00 C ATOM 1551 C THR A 101 5.972 0.263 6.812 1.00 0.00 C ATOM 1552 O THR A 101 6.333 -0.877 6.519 1.00 0.00 O ATOM 1553 CB THR A 101 7.122 1.398 8.713 1.00 0.00 C ATOM 1554 OG1 THR A 101 7.941 2.510 9.089 1.00 0.00 O ATOM 1555 CG2 THR A 101 7.723 0.112 9.259 1.00 0.00 C ATOM 0 H THR A 101 6.292 3.306 7.314 1.00 0.00 H new ATOM 0 HA THR A 101 7.958 1.073 6.749 1.00 0.00 H new ATOM 0 HB THR A 101 6.125 1.523 9.135 1.00 0.00 H new ATOM 0 HG1 THR A 101 7.428 3.340 8.996 1.00 0.00 H new ATOM 0 HG21 THR A 101 7.806 0.181 10.344 1.00 0.00 H new ATOM 0 HG22 THR A 101 7.082 -0.729 8.997 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.713 -0.038 8.829 1.00 0.00 H new ATOM 1563 N TYR A 102 4.696 0.635 6.828 1.00 0.00 N ATOM 1564 CA TYR A 102 3.625 -0.296 6.499 1.00 0.00 C ATOM 1565 C TYR A 102 3.628 -0.625 5.009 1.00 0.00 C ATOM 1566 O TYR A 102 3.802 -1.778 4.616 1.00 0.00 O ATOM 1567 CB TYR A 102 2.270 0.291 6.899 1.00 0.00 C ATOM 1568 CG TYR A 102 1.136 -0.708 6.842 1.00 0.00 C ATOM 1569 CD1 TYR A 102 0.788 -1.326 5.648 1.00 0.00 C ATOM 1570 CD2 TYR A 102 0.414 -1.033 7.983 1.00 0.00 C ATOM 1571 CE1 TYR A 102 -0.247 -2.239 5.591 1.00 0.00 C ATOM 1572 CE2 TYR A 102 -0.623 -1.945 7.937 1.00 0.00 C ATOM 1573 CZ TYR A 102 -0.950 -2.545 6.738 1.00 0.00 C ATOM 1574 OH TYR A 102 -1.980 -3.455 6.687 1.00 0.00 O ATOM 0 H TYR A 102 4.379 1.575 7.065 1.00 0.00 H new ATOM 0 HA TYR A 102 3.794 -1.217 7.057 1.00 0.00 H new ATOM 0 HB2 TYR A 102 2.341 0.690 7.911 1.00 0.00 H new ATOM 0 HB3 TYR A 102 2.038 1.129 6.241 1.00 0.00 H new ATOM 0 HD1 TYR A 102 1.336 -1.089 4.748 1.00 0.00 H new ATOM 0 HD2 TYR A 102 0.667 -0.565 8.923 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -0.504 -2.711 4.654 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.174 -2.187 8.834 1.00 0.00 H new ATOM 0 HH TYR A 102 -2.824 -3.006 6.900 1.00 0.00 H new ATOM 1584 N VAL A 103 3.434 0.399 4.183 1.00 0.00 N ATOM 1585 CA VAL A 103 3.418 0.220 2.736 1.00 0.00 C ATOM 1586 C VAL A 103 4.652 -0.537 2.260 1.00 0.00 C ATOM 1587 O VAL A 103 4.626 -1.198 1.223 1.00 0.00 O ATOM 1588 CB VAL A 103 3.346 1.573 2.004 1.00 0.00 C ATOM 1589 CG1 VAL A 103 4.508 2.466 2.416 1.00 0.00 C ATOM 1590 CG2 VAL A 103 3.332 1.364 0.497 1.00 0.00 C ATOM 0 H VAL A 103 3.286 1.360 4.491 1.00 0.00 H new ATOM 0 HA VAL A 103 2.527 -0.361 2.500 1.00 0.00 H new ATOM 0 HB VAL A 103 2.418 2.070 2.287 1.00 0.00 H new ATOM 0 HG11 VAL A 103 4.440 3.418 1.889 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.467 2.643 3.491 1.00 0.00 H new ATOM 0 HG13 VAL A 103 5.449 1.978 2.164 1.00 0.00 H new ATOM 0 HG21 VAL A 103 3.281 2.331 -0.004 1.00 0.00 H new ATOM 0 HG22 VAL A 103 4.241 0.845 0.193 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.464 0.766 0.221 1.00 0.00 H new ATOM 1600 N ALA A 104 5.733 -0.436 3.027 1.00 0.00 N ATOM 1601 CA ALA A 104 6.978 -1.113 2.686 1.00 0.00 C ATOM 1602 C ALA A 104 6.786 -2.626 2.646 1.00 0.00 C ATOM 1603 O ALA A 104 7.470 -3.330 1.902 1.00 0.00 O ATOM 1604 CB ALA A 104 8.070 -0.743 3.679 1.00 0.00 C ATOM 0 H ALA A 104 5.771 0.108 3.889 1.00 0.00 H new ATOM 0 HA ALA A 104 7.281 -0.785 1.692 1.00 0.00 H new ATOM 0 HB1 ALA A 104 8.994 -1.256 3.412 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.233 0.334 3.655 1.00 0.00 H new ATOM 0 HB3 ALA A 104 7.766 -1.042 4.682 1.00 0.00 H new ATOM 1610 N THR A 105 5.853 -3.121 3.453 1.00 0.00 N ATOM 1611 CA THR A 105 5.573 -4.551 3.512 1.00 0.00 C ATOM 1612 C THR A 105 5.006 -5.054 2.189 1.00 0.00 C ATOM 1613 O THR A 105 5.418 -6.099 1.683 1.00 0.00 O ATOM 1614 CB THR A 105 4.581 -4.883 4.642 1.00 0.00 C ATOM 1615 OG1 THR A 105 3.289 -4.349 4.333 1.00 0.00 O ATOM 1616 CG2 THR A 105 5.065 -4.318 5.969 1.00 0.00 C ATOM 0 H THR A 105 5.278 -2.553 4.075 1.00 0.00 H new ATOM 0 HA THR A 105 6.520 -5.051 3.712 1.00 0.00 H new ATOM 0 HB THR A 105 4.513 -5.967 4.729 1.00 0.00 H new ATOM 0 HG1 THR A 105 3.370 -3.394 4.131 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.349 -4.565 6.753 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.035 -4.749 6.216 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.158 -3.235 5.891 1.00 0.00 H new ATOM 1624 N TYR A 106 4.060 -4.305 1.633 1.00 0.00 N ATOM 1625 CA TYR A 106 3.436 -4.677 0.369 1.00 0.00 C ATOM 1626 C TYR A 106 4.485 -4.879 -0.719 1.00 0.00 C ATOM 1627 O TYR A 106 4.355 -5.763 -1.566 1.00 0.00 O ATOM 1628 CB TYR A 106 2.434 -3.605 -0.065 1.00 0.00 C ATOM 1629 CG TYR A 106 1.108 -3.687 0.657 1.00 0.00 C ATOM 1630 CD1 TYR A 106 1.041 -4.091 1.984 1.00 0.00 C ATOM 1631 CD2 TYR A 106 -0.078 -3.361 0.011 1.00 0.00 C ATOM 1632 CE1 TYR A 106 -0.169 -4.169 2.647 1.00 0.00 C ATOM 1633 CE2 TYR A 106 -1.292 -3.434 0.666 1.00 0.00 C ATOM 1634 CZ TYR A 106 -1.331 -3.839 1.985 1.00 0.00 C ATOM 1635 OH TYR A 106 -2.539 -3.914 2.640 1.00 0.00 O ATOM 0 H TYR A 106 3.709 -3.437 2.038 1.00 0.00 H new ATOM 0 HA TYR A 106 2.908 -5.619 0.518 1.00 0.00 H new ATOM 0 HB2 TYR A 106 2.871 -2.621 0.106 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.260 -3.695 -1.137 1.00 0.00 H new ATOM 0 HD1 TYR A 106 1.950 -4.349 2.507 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -0.050 -3.045 -1.021 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -0.203 -4.487 3.679 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -2.205 -3.176 0.149 1.00 0.00 H new ATOM 0 HH TYR A 106 -3.259 -3.647 2.031 1.00 0.00 H new ATOM 1645 N TYR A 107 5.525 -4.054 -0.688 1.00 0.00 N ATOM 1646 CA TYR A 107 6.598 -4.139 -1.672 1.00 0.00 C ATOM 1647 C TYR A 107 7.602 -5.224 -1.292 1.00 0.00 C ATOM 1648 O TYR A 107 7.899 -6.117 -2.086 1.00 0.00 O ATOM 1649 CB TYR A 107 7.310 -2.791 -1.800 1.00 0.00 C ATOM 1650 CG TYR A 107 8.625 -2.870 -2.542 1.00 0.00 C ATOM 1651 CD1 TYR A 107 8.673 -3.271 -3.871 1.00 0.00 C ATOM 1652 CD2 TYR A 107 9.820 -2.541 -1.913 1.00 0.00 C ATOM 1653 CE1 TYR A 107 9.873 -3.344 -4.552 1.00 0.00 C ATOM 1654 CE2 TYR A 107 11.024 -2.609 -2.587 1.00 0.00 C ATOM 1655 CZ TYR A 107 11.045 -3.012 -3.906 1.00 0.00 C ATOM 1656 OH TYR A 107 12.242 -3.082 -4.581 1.00 0.00 O ATOM 0 H TYR A 107 5.648 -3.318 0.008 1.00 0.00 H new ATOM 0 HA TYR A 107 6.155 -4.400 -2.633 1.00 0.00 H new ATOM 0 HB2 TYR A 107 6.653 -2.090 -2.315 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.488 -2.387 -0.803 1.00 0.00 H new ATOM 0 HD1 TYR A 107 7.757 -3.530 -4.381 1.00 0.00 H new ATOM 0 HD2 TYR A 107 9.807 -2.227 -0.880 1.00 0.00 H new ATOM 0 HE1 TYR A 107 9.893 -3.659 -5.585 1.00 0.00 H new ATOM 0 HE2 TYR A 107 11.943 -2.348 -2.084 1.00 0.00 H new ATOM 0 HH TYR A 107 12.971 -2.814 -3.983 1.00 0.00 H new ATOM 1666 N HIS A 108 8.120 -5.138 -0.071 1.00 0.00 N ATOM 1667 CA HIS A 108 9.090 -6.112 0.417 1.00 0.00 C ATOM 1668 C HIS A 108 8.594 -7.536 0.185 1.00 0.00 C ATOM 1669 O HIS A 108 9.281 -8.351 -0.432 1.00 0.00 O ATOM 1670 CB HIS A 108 9.362 -5.891 1.906 1.00 0.00 C ATOM 1671 CG HIS A 108 10.756 -6.250 2.320 1.00 0.00 C ATOM 1672 ND1 HIS A 108 11.120 -7.522 2.709 1.00 0.00 N ATOM 1673 CD2 HIS A 108 11.877 -5.497 2.403 1.00 0.00 C ATOM 1674 CE1 HIS A 108 12.406 -7.535 3.015 1.00 0.00 C ATOM 1675 NE2 HIS A 108 12.888 -6.319 2.837 1.00 0.00 N ATOM 0 H HIS A 108 7.885 -4.405 0.598 1.00 0.00 H new ATOM 0 HA HIS A 108 10.017 -5.974 -0.139 1.00 0.00 H new ATOM 0 HB2 HIS A 108 9.178 -4.845 2.149 1.00 0.00 H new ATOM 0 HB3 HIS A 108 8.655 -6.483 2.488 1.00 0.00 H new ATOM 0 HD2 HIS A 108 11.961 -4.446 2.171 1.00 0.00 H new ATOM 0 HE1 HIS A 108 12.967 -8.394 3.353 1.00 0.00 H new ATOM 0 HE2 HIS A 108 13.855 -6.036 2.996 1.00 0.00 H new ATOM 1684 N TYR A 109 7.398 -7.829 0.685 1.00 0.00 N ATOM 1685 CA TYR A 109 6.812 -9.156 0.535 1.00 0.00 C ATOM 1686 C TYR A 109 6.769 -9.571 -0.933 1.00 0.00 C ATOM 1687 O TYR A 109 7.504 -10.462 -1.359 1.00 0.00 O ATOM 1688 CB TYR A 109 5.401 -9.183 1.125 1.00 0.00 C ATOM 1689 CG TYR A 109 4.637 -10.449 0.812 1.00 0.00 C ATOM 1690 CD1 TYR A 109 4.818 -11.599 1.571 1.00 0.00 C ATOM 1691 CD2 TYR A 109 3.733 -10.496 -0.243 1.00 0.00 C ATOM 1692 CE1 TYR A 109 4.123 -12.758 1.287 1.00 0.00 C ATOM 1693 CE2 TYR A 109 3.032 -11.651 -0.532 1.00 0.00 C ATOM 1694 CZ TYR A 109 3.231 -12.779 0.235 1.00 0.00 C ATOM 1695 OH TYR A 109 2.536 -13.932 -0.049 1.00 0.00 O ATOM 0 H TYR A 109 6.816 -7.166 1.197 1.00 0.00 H new ATOM 0 HA TYR A 109 7.439 -9.865 1.076 1.00 0.00 H new ATOM 0 HB2 TYR A 109 5.467 -9.067 2.207 1.00 0.00 H new ATOM 0 HB3 TYR A 109 4.841 -8.328 0.746 1.00 0.00 H new ATOM 0 HD1 TYR A 109 5.514 -11.586 2.397 1.00 0.00 H new ATOM 0 HD2 TYR A 109 3.576 -9.615 -0.847 1.00 0.00 H new ATOM 0 HE1 TYR A 109 4.277 -13.644 1.886 1.00 0.00 H new ATOM 0 HE2 TYR A 109 2.332 -11.670 -1.354 1.00 0.00 H new ATOM 0 HH TYR A 109 1.949 -13.779 -0.818 1.00 0.00 H new ATOM 1705 N PHE A 110 5.905 -8.916 -1.700 1.00 0.00 N ATOM 1706 CA PHE A 110 5.765 -9.215 -3.120 1.00 0.00 C ATOM 1707 C PHE A 110 7.132 -9.344 -3.786 1.00 0.00 C ATOM 1708 O PHE A 110 7.311 -10.133 -4.715 1.00 0.00 O ATOM 1709 CB PHE A 110 4.949 -8.124 -3.815 1.00 0.00 C ATOM 1710 CG PHE A 110 3.471 -8.398 -3.827 1.00 0.00 C ATOM 1711 CD1 PHE A 110 2.985 -9.628 -4.238 1.00 0.00 C ATOM 1712 CD2 PHE A 110 2.571 -7.424 -3.427 1.00 0.00 C ATOM 1713 CE1 PHE A 110 1.625 -9.881 -4.251 1.00 0.00 C ATOM 1714 CE2 PHE A 110 1.210 -7.672 -3.437 1.00 0.00 C ATOM 1715 CZ PHE A 110 0.738 -8.903 -3.848 1.00 0.00 C ATOM 0 H PHE A 110 5.291 -8.175 -1.362 1.00 0.00 H new ATOM 0 HA PHE A 110 5.242 -10.167 -3.215 1.00 0.00 H new ATOM 0 HB2 PHE A 110 5.130 -7.172 -3.316 1.00 0.00 H new ATOM 0 HB3 PHE A 110 5.299 -8.017 -4.842 1.00 0.00 H new ATOM 0 HD1 PHE A 110 3.675 -10.398 -4.552 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.936 -6.460 -3.104 1.00 0.00 H new ATOM 0 HE1 PHE A 110 1.257 -10.843 -4.576 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.518 -6.904 -3.124 1.00 0.00 H new ATOM 0 HZ PHE A 110 -0.324 -9.100 -3.854 1.00 0.00 H new ATOM 1725 N SER A 111 8.094 -8.564 -3.305 1.00 0.00 N ATOM 1726 CA SER A 111 9.444 -8.587 -3.855 1.00 0.00 C ATOM 1727 C SER A 111 10.124 -9.923 -3.571 1.00 0.00 C ATOM 1728 O SER A 111 10.546 -10.626 -4.489 1.00 0.00 O ATOM 1729 CB SER A 111 10.276 -7.444 -3.269 1.00 0.00 C ATOM 1730 OG SER A 111 11.484 -7.271 -3.990 1.00 0.00 O ATOM 0 H SER A 111 7.964 -7.908 -2.535 1.00 0.00 H new ATOM 0 HA SER A 111 9.372 -8.458 -4.935 1.00 0.00 H new ATOM 0 HB2 SER A 111 9.699 -6.520 -3.294 1.00 0.00 H new ATOM 0 HB3 SER A 111 10.500 -7.652 -2.223 1.00 0.00 H new ATOM 0 HG SER A 111 11.997 -6.534 -3.597 1.00 0.00 H new ATOM 1736 N LYS A 112 10.227 -10.267 -2.292 1.00 0.00 N ATOM 1737 CA LYS A 112 10.854 -11.518 -1.884 1.00 0.00 C ATOM 1738 C LYS A 112 10.573 -12.623 -2.896 1.00 0.00 C ATOM 1739 O LYS A 112 11.478 -13.357 -3.296 1.00 0.00 O ATOM 1740 CB LYS A 112 10.349 -11.938 -0.501 1.00 0.00 C ATOM 1741 CG LYS A 112 10.785 -11.005 0.615 1.00 0.00 C ATOM 1742 CD LYS A 112 10.901 -11.738 1.941 1.00 0.00 C ATOM 1743 CE LYS A 112 9.560 -11.815 2.654 1.00 0.00 C ATOM 1744 NZ LYS A 112 9.247 -10.557 3.386 1.00 0.00 N ATOM 0 H LYS A 112 9.884 -9.696 -1.519 1.00 0.00 H new ATOM 0 HA LYS A 112 11.931 -11.357 -1.838 1.00 0.00 H new ATOM 0 HB2 LYS A 112 9.260 -11.984 -0.520 1.00 0.00 H new ATOM 0 HB3 LYS A 112 10.707 -12.944 -0.283 1.00 0.00 H new ATOM 0 HG2 LYS A 112 11.745 -10.556 0.361 1.00 0.00 H new ATOM 0 HG3 LYS A 112 10.068 -10.190 0.710 1.00 0.00 H new ATOM 0 HD2 LYS A 112 11.281 -12.745 1.769 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.624 -11.228 2.578 1.00 0.00 H new ATOM 0 HE2 LYS A 112 8.773 -12.017 1.927 1.00 0.00 H new ATOM 0 HE3 LYS A 112 9.569 -12.650 3.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 8.325 -10.650 3.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 9.984 -10.377 4.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 9.213 -9.764 2.714 1.00 0.00 H new