USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 618 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 Single : A 11 THR OG1 : rot -13:sc= 0.407 USER MOD Single : A 13 GLN :FLIP amide:sc= -1.91 F(o=-3.2!,f=-1.9) USER MOD Single : A 14 THR OG1 : rot 72:sc= 1.23 USER MOD Single : A 18 GLN : amide:sc= 1.99 K(o=2,f=-0.0054) USER MOD Single : A 20 ASN : amide:sc= -0.33 X(o=-0.33,f=-0.031) USER MOD Single : A 25 LYS NZ :NH3+ -156:sc= 1.27 (180deg=0.665) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -166:sc= 1.12 (180deg=0.88) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 27:sc= 0.0739 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -150:sc= 1.3 (180deg=1.07) USER MOD Single : A 55 LYS NZ :NH3+ -166:sc= 2.47 (180deg=2.25) USER MOD Single : A 62 ASN : amide:sc= -0.15 K(o=-0.15,f=-0.95!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0475 USER MOD Single : A 64 SER OG : rot 174:sc= 0.34 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.135! X(o=-0.13!,f=-0.016) USER MOD Single : A 80 MET CE :methyl 168:sc= -0.28 (180deg=-0.642) USER MOD Single : A 81 ASN : amide:sc= -0.261 X(o=-0.26,f=-0.18) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0222 USER MOD Single : A 86 CYS SG : rot -173:sc= -1.27! USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 171:sc= 1.26 (180deg=1.06) USER MOD Single : A 93 MET CE :methyl 156:sc= -0.436 (180deg=-1.61) USER MOD ----------------------------------------------------------------- ATOM 93 N GLU A 9 6.940 1.622 -7.591 1.00 0.00 N ATOM 94 CA GLU A 9 5.493 1.468 -7.645 1.00 0.00 C ATOM 95 C GLU A 9 5.130 -0.002 -7.924 1.00 0.00 C ATOM 96 O GLU A 9 4.085 -0.508 -7.482 1.00 0.00 O ATOM 97 CB GLU A 9 4.914 2.381 -8.722 1.00 0.00 C ATOM 98 CG GLU A 9 3.398 2.466 -8.708 1.00 0.00 C ATOM 99 CD GLU A 9 2.851 3.181 -9.910 1.00 0.00 C ATOM 100 OE1 GLU A 9 2.863 4.419 -9.950 1.00 0.00 O ATOM 101 OE2 GLU A 9 2.401 2.501 -10.853 1.00 0.00 O ATOM 0 HA GLU A 9 5.065 1.752 -6.684 1.00 0.00 H new ATOM 0 HB2 GLU A 9 5.325 3.382 -8.595 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.239 2.025 -9.700 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.981 1.460 -8.667 1.00 0.00 H new ATOM 0 HG3 GLU A 9 3.075 2.982 -7.804 1.00 0.00 H new ATOM 108 N TRP A 10 6.010 -0.682 -8.638 1.00 0.00 N ATOM 109 CA TRP A 10 5.844 -2.090 -8.951 1.00 0.00 C ATOM 110 C TRP A 10 5.826 -2.951 -7.682 1.00 0.00 C ATOM 111 O TRP A 10 5.057 -3.904 -7.594 1.00 0.00 O ATOM 112 CB TRP A 10 6.945 -2.556 -9.926 1.00 0.00 C ATOM 113 CG TRP A 10 7.138 -4.049 -10.010 1.00 0.00 C ATOM 114 CD1 TRP A 10 6.478 -4.934 -10.809 1.00 0.00 C ATOM 115 CD2 TRP A 10 8.069 -4.823 -9.239 1.00 0.00 C ATOM 116 NE1 TRP A 10 6.941 -6.204 -10.575 1.00 0.00 N ATOM 117 CE2 TRP A 10 7.916 -6.160 -9.615 1.00 0.00 C ATOM 118 CE3 TRP A 10 9.009 -4.503 -8.265 1.00 0.00 C ATOM 119 CZ2 TRP A 10 8.674 -7.183 -9.046 1.00 0.00 C ATOM 120 CZ3 TRP A 10 9.752 -5.506 -7.703 1.00 0.00 C ATOM 121 CH2 TRP A 10 9.587 -6.827 -8.088 1.00 0.00 C ATOM 0 H TRP A 10 6.863 -0.271 -9.018 1.00 0.00 H new ATOM 0 HA TRP A 10 4.877 -2.216 -9.438 1.00 0.00 H new ATOM 0 HB2 TRP A 10 6.710 -2.180 -10.921 1.00 0.00 H new ATOM 0 HB3 TRP A 10 7.889 -2.100 -9.628 1.00 0.00 H new ATOM 0 HD1 TRP A 10 5.707 -4.675 -11.519 1.00 0.00 H new ATOM 0 HE1 TRP A 10 6.611 -7.048 -11.043 1.00 0.00 H new ATOM 0 HE3 TRP A 10 9.151 -3.478 -7.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 8.547 -8.212 -9.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 10.481 -5.263 -6.944 1.00 0.00 H new ATOM 0 HH2 TRP A 10 10.191 -7.592 -7.623 1.00 0.00 H new ATOM 132 N THR A 11 6.654 -2.624 -6.708 1.00 0.00 N ATOM 133 CA THR A 11 6.702 -3.416 -5.492 1.00 0.00 C ATOM 134 C THR A 11 5.353 -3.371 -4.779 1.00 0.00 C ATOM 135 O THR A 11 4.844 -4.403 -4.321 1.00 0.00 O ATOM 136 CB THR A 11 7.832 -2.970 -4.542 1.00 0.00 C ATOM 137 OG1 THR A 11 9.086 -2.966 -5.250 1.00 0.00 O ATOM 138 CG2 THR A 11 7.940 -3.934 -3.369 1.00 0.00 C ATOM 0 H THR A 11 7.293 -1.829 -6.732 1.00 0.00 H new ATOM 0 HA THR A 11 6.921 -4.443 -5.784 1.00 0.00 H new ATOM 0 HB THR A 11 7.605 -1.969 -4.175 1.00 0.00 H new ATOM 0 HG1 THR A 11 8.983 -3.443 -6.100 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.741 -3.610 -2.704 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.997 -3.948 -2.822 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.159 -4.935 -3.740 1.00 0.00 H new ATOM 146 N LEU A 12 4.757 -2.189 -4.768 1.00 0.00 N ATOM 147 CA LEU A 12 3.452 -1.985 -4.181 1.00 0.00 C ATOM 148 C LEU A 12 2.419 -2.879 -4.852 1.00 0.00 C ATOM 149 O LEU A 12 1.743 -3.665 -4.183 1.00 0.00 O ATOM 150 CB LEU A 12 3.033 -0.534 -4.330 1.00 0.00 C ATOM 151 CG LEU A 12 3.775 0.498 -3.492 1.00 0.00 C ATOM 152 CD1 LEU A 12 3.322 1.898 -3.880 1.00 0.00 C ATOM 153 CD2 LEU A 12 3.501 0.259 -2.017 1.00 0.00 C ATOM 0 H LEU A 12 5.169 -1.346 -5.168 1.00 0.00 H new ATOM 0 HA LEU A 12 3.510 -2.240 -3.123 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.142 -0.258 -5.379 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.972 -0.463 -4.090 1.00 0.00 H new ATOM 0 HG LEU A 12 4.845 0.404 -3.676 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.856 2.633 -3.278 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.535 2.070 -4.935 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.250 1.995 -3.706 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.035 1.001 -1.423 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.431 0.344 -1.827 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.840 -0.739 -1.741 1.00 0.00 H new ATOM 165 N GLN A 13 2.336 -2.801 -6.188 1.00 0.00 N ATOM 166 CA GLN A 13 1.348 -3.590 -6.923 1.00 0.00 C ATOM 167 C GLN A 13 1.596 -5.079 -6.720 1.00 0.00 C ATOM 168 O GLN A 13 0.687 -5.811 -6.532 1.00 0.00 O ATOM 169 CB GLN A 13 1.302 -3.254 -8.438 1.00 0.00 C ATOM 170 CG GLN A 13 2.529 -3.694 -9.231 1.00 0.00 C ATOM 171 CD GLN A 13 2.415 -3.478 -10.729 1.00 0.00 C ATOM 172 OE1 GLN A 13 1.241 -3.650 -11.263 1.00 0.00 O flip ATOM 173 NE2 GLN A 13 3.409 -3.216 -11.410 1.00 0.00 N flip ATOM 0 H GLN A 13 2.931 -2.210 -6.769 1.00 0.00 H new ATOM 0 HA GLN A 13 0.374 -3.323 -6.513 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.419 -3.723 -8.873 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.180 -2.177 -8.553 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.399 -3.151 -8.863 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.710 -4.752 -9.041 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.316 -3.087 -10.961 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.325 -3.128 -12.423 1.00 0.00 H new ATOM 182 N THR A 14 2.853 -5.478 -6.688 1.00 0.00 N ATOM 183 CA THR A 14 3.233 -6.867 -6.533 1.00 0.00 C ATOM 184 C THR A 14 2.721 -7.463 -5.215 1.00 0.00 C ATOM 185 O THR A 14 2.256 -8.598 -5.180 1.00 0.00 O ATOM 186 CB THR A 14 4.756 -7.013 -6.691 1.00 0.00 C ATOM 187 OG1 THR A 14 5.111 -6.540 -7.999 1.00 0.00 O ATOM 188 CG2 THR A 14 5.206 -8.449 -6.568 1.00 0.00 C ATOM 0 H THR A 14 3.645 -4.841 -6.770 1.00 0.00 H new ATOM 0 HA THR A 14 2.754 -7.446 -7.323 1.00 0.00 H new ATOM 0 HB THR A 14 5.240 -6.440 -5.900 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.021 -5.565 -8.030 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.288 -8.503 -6.686 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.929 -8.834 -5.587 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.726 -9.048 -7.342 1.00 0.00 H new ATOM 196 N LEU A 15 2.757 -6.690 -4.165 1.00 0.00 N ATOM 197 CA LEU A 15 2.237 -7.127 -2.881 1.00 0.00 C ATOM 198 C LEU A 15 0.717 -7.202 -2.957 1.00 0.00 C ATOM 199 O LEU A 15 0.099 -8.205 -2.594 1.00 0.00 O ATOM 200 CB LEU A 15 2.651 -6.130 -1.812 1.00 0.00 C ATOM 201 CG LEU A 15 4.154 -5.953 -1.621 1.00 0.00 C ATOM 202 CD1 LEU A 15 4.437 -4.719 -0.795 1.00 0.00 C ATOM 203 CD2 LEU A 15 4.750 -7.177 -0.942 1.00 0.00 C ATOM 0 H LEU A 15 3.142 -5.746 -4.165 1.00 0.00 H new ATOM 0 HA LEU A 15 2.635 -8.111 -2.632 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.218 -5.160 -2.058 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.217 -6.442 -0.862 1.00 0.00 H new ATOM 0 HG LEU A 15 4.614 -5.835 -2.602 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.514 -4.606 -0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.038 -3.841 -1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.964 -4.819 0.182 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.823 -7.035 -0.813 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.282 -7.316 0.033 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.572 -8.058 -1.559 1.00 0.00 H new ATOM 215 N LEU A 16 0.141 -6.171 -3.518 1.00 0.00 N ATOM 216 CA LEU A 16 -1.296 -6.031 -3.630 1.00 0.00 C ATOM 217 C LEU A 16 -1.904 -6.887 -4.764 1.00 0.00 C ATOM 218 O LEU A 16 -3.104 -6.913 -4.958 1.00 0.00 O ATOM 219 CB LEU A 16 -1.685 -4.557 -3.768 1.00 0.00 C ATOM 220 CG LEU A 16 -1.744 -3.724 -2.474 1.00 0.00 C ATOM 221 CD1 LEU A 16 -0.432 -3.687 -1.741 1.00 0.00 C ATOM 222 CD2 LEU A 16 -2.213 -2.337 -2.780 1.00 0.00 C ATOM 0 H LEU A 16 0.661 -5.390 -3.918 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.723 -6.418 -2.705 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.975 -4.081 -4.445 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.663 -4.508 -4.247 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.456 -4.214 -1.810 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.536 -3.085 -0.838 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.138 -4.701 -1.469 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.331 -3.248 -2.383 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.252 -1.755 -1.859 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.522 -1.865 -3.479 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.207 -2.379 -3.225 1.00 0.00 H new ATOM 234 N GLU A 17 -1.075 -7.546 -5.524 1.00 0.00 N ATOM 235 CA GLU A 17 -1.549 -8.494 -6.507 1.00 0.00 C ATOM 236 C GLU A 17 -1.489 -9.891 -5.934 1.00 0.00 C ATOM 237 O GLU A 17 -2.087 -10.818 -6.457 1.00 0.00 O ATOM 238 CB GLU A 17 -0.809 -8.376 -7.844 1.00 0.00 C ATOM 239 CG GLU A 17 -1.151 -7.088 -8.603 1.00 0.00 C ATOM 240 CD GLU A 17 -0.511 -6.996 -9.963 1.00 0.00 C ATOM 241 OE1 GLU A 17 -1.118 -7.460 -10.949 1.00 0.00 O ATOM 242 OE2 GLU A 17 0.593 -6.441 -10.084 1.00 0.00 O ATOM 0 H GLU A 17 -0.061 -7.447 -5.485 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.589 -8.260 -6.735 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.265 -8.411 -7.663 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.056 -9.236 -8.467 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.233 -7.020 -8.716 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.838 -6.231 -8.006 1.00 0.00 H new ATOM 249 N GLN A 18 -0.788 -10.013 -4.827 1.00 0.00 N ATOM 250 CA GLN A 18 -0.728 -11.249 -4.083 1.00 0.00 C ATOM 251 C GLN A 18 -1.864 -11.269 -3.066 1.00 0.00 C ATOM 252 O GLN A 18 -2.487 -12.300 -2.830 1.00 0.00 O ATOM 253 CB GLN A 18 0.635 -11.402 -3.395 1.00 0.00 C ATOM 254 CG GLN A 18 1.779 -11.693 -4.356 1.00 0.00 C ATOM 255 CD GLN A 18 3.142 -11.618 -3.699 1.00 0.00 C ATOM 256 OE1 GLN A 18 3.660 -12.592 -3.167 1.00 0.00 O ATOM 257 NE2 GLN A 18 3.738 -10.463 -3.755 1.00 0.00 N ATOM 0 H GLN A 18 -0.243 -9.254 -4.418 1.00 0.00 H new ATOM 0 HA GLN A 18 -0.843 -12.092 -4.764 1.00 0.00 H new ATOM 0 HB2 GLN A 18 0.859 -10.488 -2.845 1.00 0.00 H new ATOM 0 HB3 GLN A 18 0.574 -12.207 -2.663 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.643 -12.686 -4.783 1.00 0.00 H new ATOM 0 HG3 GLN A 18 1.741 -10.983 -5.182 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.277 -9.673 -4.206 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.666 -10.348 -3.348 1.00 0.00 H new ATOM 266 N LEU A 19 -2.140 -10.118 -2.486 1.00 0.00 N ATOM 267 CA LEU A 19 -3.233 -9.970 -1.548 1.00 0.00 C ATOM 268 C LEU A 19 -4.266 -9.073 -2.225 1.00 0.00 C ATOM 269 O LEU A 19 -3.922 -8.013 -2.676 1.00 0.00 O ATOM 270 CB LEU A 19 -2.707 -9.301 -0.238 1.00 0.00 C ATOM 271 CG LEU A 19 -2.578 -7.764 -0.241 1.00 0.00 C ATOM 272 CD1 LEU A 19 -3.785 -7.093 0.388 1.00 0.00 C ATOM 273 CD2 LEU A 19 -1.289 -7.269 0.349 1.00 0.00 C ATOM 0 H LEU A 19 -1.613 -9.260 -2.652 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.670 -10.932 -1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.372 -9.584 0.578 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.728 -9.723 -0.011 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.551 -7.473 -1.291 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.653 -6.011 0.365 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.682 -7.361 -0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.888 -7.424 1.421 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.267 -6.180 0.314 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.212 -7.600 1.385 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.451 -7.667 -0.223 1.00 0.00 H new ATOM 285 N ASN A 20 -5.495 -9.518 -2.377 1.00 0.00 N ATOM 286 CA ASN A 20 -6.540 -8.658 -2.975 1.00 0.00 C ATOM 287 C ASN A 20 -7.937 -9.208 -2.847 1.00 0.00 C ATOM 288 O ASN A 20 -8.764 -8.553 -2.233 1.00 0.00 O ATOM 289 CB ASN A 20 -6.241 -8.224 -4.432 1.00 0.00 C ATOM 290 CG ASN A 20 -5.889 -9.369 -5.333 1.00 0.00 C ATOM 291 OD1 ASN A 20 -6.735 -9.945 -5.996 1.00 0.00 O ATOM 292 ND2 ASN A 20 -4.641 -9.727 -5.313 1.00 0.00 N ATOM 0 H ASN A 20 -5.809 -10.450 -2.106 1.00 0.00 H new ATOM 0 HA ASN A 20 -6.502 -7.756 -2.364 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -7.112 -7.708 -4.836 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -5.419 -7.508 -4.429 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.330 -10.523 -5.869 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -3.972 -9.212 -4.741 1.00 0.00 H new ATOM 299 N GLU A 21 -8.149 -10.451 -3.327 1.00 0.00 N ATOM 300 CA GLU A 21 -9.473 -11.129 -3.433 1.00 0.00 C ATOM 301 C GLU A 21 -10.465 -10.691 -2.387 1.00 0.00 C ATOM 302 O GLU A 21 -11.375 -9.910 -2.681 1.00 0.00 O ATOM 303 CB GLU A 21 -9.288 -12.623 -3.397 1.00 0.00 C ATOM 304 CG GLU A 21 -8.426 -13.097 -4.511 1.00 0.00 C ATOM 305 CD GLU A 21 -8.248 -14.589 -4.546 1.00 0.00 C ATOM 306 OE1 GLU A 21 -7.778 -15.163 -3.545 1.00 0.00 O ATOM 307 OE2 GLU A 21 -8.539 -15.210 -5.594 1.00 0.00 O ATOM 0 H GLU A 21 -7.384 -11.035 -3.664 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.900 -10.830 -4.390 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.843 -12.912 -2.445 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.261 -13.112 -3.456 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.857 -12.769 -5.457 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.447 -12.625 -4.427 1.00 0.00 H new ATOM 314 N ASP A 22 -10.296 -11.135 -1.175 1.00 0.00 N ATOM 315 CA ASP A 22 -11.157 -10.634 -0.140 1.00 0.00 C ATOM 316 C ASP A 22 -10.275 -9.925 0.878 1.00 0.00 C ATOM 317 O ASP A 22 -10.700 -9.418 1.900 1.00 0.00 O ATOM 318 CB ASP A 22 -11.962 -11.758 0.509 1.00 0.00 C ATOM 319 CG ASP A 22 -13.147 -11.242 1.301 1.00 0.00 C ATOM 320 OD1 ASP A 22 -14.204 -10.994 0.674 1.00 0.00 O ATOM 321 OD2 ASP A 22 -13.050 -11.059 2.531 1.00 0.00 O ATOM 0 H ASP A 22 -9.597 -11.818 -0.884 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.887 -9.941 -0.558 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.315 -12.440 -0.264 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.311 -12.333 1.168 1.00 0.00 H new ATOM 326 N GLU A 23 -9.050 -9.825 0.488 1.00 0.00 N ATOM 327 CA GLU A 23 -7.962 -9.396 1.337 1.00 0.00 C ATOM 328 C GLU A 23 -7.873 -7.892 1.353 1.00 0.00 C ATOM 329 O GLU A 23 -7.612 -7.276 2.382 1.00 0.00 O ATOM 330 CB GLU A 23 -6.647 -9.929 0.764 1.00 0.00 C ATOM 331 CG GLU A 23 -6.773 -11.232 -0.031 1.00 0.00 C ATOM 332 CD GLU A 23 -7.394 -12.366 0.726 1.00 0.00 C ATOM 333 OE1 GLU A 23 -6.868 -12.756 1.776 1.00 0.00 O ATOM 334 OE2 GLU A 23 -8.412 -12.908 0.243 1.00 0.00 O ATOM 0 H GLU A 23 -8.755 -10.045 -0.463 1.00 0.00 H new ATOM 0 HA GLU A 23 -8.138 -9.770 2.346 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.213 -9.166 0.117 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.947 -10.087 1.585 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.366 -11.041 -0.925 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.781 -11.536 -0.366 1.00 0.00 H new ATOM 341 N LEU A 24 -8.114 -7.305 0.202 1.00 0.00 N ATOM 342 CA LEU A 24 -7.945 -5.885 0.019 1.00 0.00 C ATOM 343 C LEU A 24 -9.028 -5.143 0.761 1.00 0.00 C ATOM 344 O LEU A 24 -8.825 -4.039 1.234 1.00 0.00 O ATOM 345 CB LEU A 24 -8.030 -5.540 -1.446 1.00 0.00 C ATOM 346 CG LEU A 24 -7.175 -4.383 -1.896 1.00 0.00 C ATOM 347 CD1 LEU A 24 -5.693 -4.748 -1.835 1.00 0.00 C ATOM 348 CD2 LEU A 24 -7.566 -3.962 -3.275 1.00 0.00 C ATOM 0 H LEU A 24 -8.432 -7.800 -0.631 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.968 -5.596 0.406 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.751 -6.421 -2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.069 -5.316 -1.688 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.339 -3.544 -1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.095 -3.898 -2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.424 -5.006 -0.811 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.501 -5.601 -2.486 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.942 -3.126 -3.591 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.429 -4.796 -3.963 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.612 -3.656 -3.279 1.00 0.00 H new ATOM 360 N LYS A 25 -10.159 -5.792 0.877 1.00 0.00 N ATOM 361 CA LYS A 25 -11.326 -5.260 1.550 1.00 0.00 C ATOM 362 C LYS A 25 -10.986 -4.971 3.013 1.00 0.00 C ATOM 363 O LYS A 25 -11.396 -3.956 3.583 1.00 0.00 O ATOM 364 CB LYS A 25 -12.428 -6.296 1.438 1.00 0.00 C ATOM 365 CG LYS A 25 -12.743 -6.667 -0.005 1.00 0.00 C ATOM 366 CD LYS A 25 -13.560 -7.924 -0.069 1.00 0.00 C ATOM 367 CE LYS A 25 -13.919 -8.305 -1.495 1.00 0.00 C ATOM 368 NZ LYS A 25 -14.757 -9.524 -1.539 1.00 0.00 N ATOM 0 H LYS A 25 -10.301 -6.728 0.498 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.653 -4.325 1.096 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -12.134 -7.193 1.983 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -13.330 -5.914 1.916 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.285 -5.852 -0.484 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.815 -6.803 -0.561 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.005 -8.740 0.394 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -14.474 -7.791 0.510 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.450 -7.480 -1.970 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.007 -8.469 -2.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.652 -9.984 -2.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.455 -10.180 -0.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -15.754 -9.266 -1.392 1.00 0.00 H new ATOM 382 N SER A 26 -10.217 -5.867 3.592 1.00 0.00 N ATOM 383 CA SER A 26 -9.703 -5.749 4.903 1.00 0.00 C ATOM 384 C SER A 26 -8.670 -4.626 4.960 1.00 0.00 C ATOM 385 O SER A 26 -8.771 -3.707 5.771 1.00 0.00 O ATOM 386 CB SER A 26 -9.028 -7.052 5.186 1.00 0.00 C ATOM 387 OG SER A 26 -9.937 -8.128 5.043 1.00 0.00 O ATOM 0 H SER A 26 -9.931 -6.728 3.126 1.00 0.00 H new ATOM 0 HA SER A 26 -10.489 -5.523 5.624 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.187 -7.187 4.506 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.622 -7.045 6.197 1.00 0.00 H new ATOM 0 HG SER A 26 -9.476 -8.972 5.231 1.00 0.00 H new ATOM 393 N PHE A 27 -7.706 -4.718 4.057 1.00 0.00 N ATOM 394 CA PHE A 27 -6.585 -3.790 3.913 1.00 0.00 C ATOM 395 C PHE A 27 -7.073 -2.322 3.901 1.00 0.00 C ATOM 396 O PHE A 27 -6.555 -1.484 4.637 1.00 0.00 O ATOM 397 CB PHE A 27 -5.868 -4.157 2.596 1.00 0.00 C ATOM 398 CG PHE A 27 -4.609 -3.383 2.234 1.00 0.00 C ATOM 399 CD1 PHE A 27 -4.662 -2.056 1.826 1.00 0.00 C ATOM 400 CD2 PHE A 27 -3.369 -4.006 2.293 1.00 0.00 C ATOM 401 CE1 PHE A 27 -3.509 -1.369 1.492 1.00 0.00 C ATOM 402 CE2 PHE A 27 -2.214 -3.324 1.957 1.00 0.00 C ATOM 403 CZ PHE A 27 -2.285 -2.004 1.556 1.00 0.00 C ATOM 0 H PHE A 27 -7.679 -5.474 3.372 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.901 -3.875 4.757 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.610 -5.215 2.639 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.582 -4.036 1.781 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.617 -1.554 1.769 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.306 -5.038 2.606 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.566 -0.336 1.181 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.257 -3.823 2.008 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.384 -1.470 1.293 1.00 0.00 H new ATOM 413 N LYS A 28 -8.101 -2.045 3.098 1.00 0.00 N ATOM 414 CA LYS A 28 -8.667 -0.690 2.964 1.00 0.00 C ATOM 415 C LYS A 28 -9.242 -0.203 4.293 1.00 0.00 C ATOM 416 O LYS A 28 -9.128 0.964 4.646 1.00 0.00 O ATOM 417 CB LYS A 28 -9.783 -0.675 1.909 1.00 0.00 C ATOM 418 CG LYS A 28 -9.353 -1.147 0.535 1.00 0.00 C ATOM 419 CD LYS A 28 -10.535 -1.260 -0.410 1.00 0.00 C ATOM 420 CE LYS A 28 -10.135 -1.978 -1.686 1.00 0.00 C ATOM 421 NZ LYS A 28 -11.250 -2.105 -2.644 1.00 0.00 N ATOM 0 H LYS A 28 -8.567 -2.746 2.522 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.859 -0.027 2.656 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.602 -1.305 2.256 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.174 0.339 1.825 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.622 -0.452 0.123 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.860 -2.115 0.620 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.347 -1.800 0.078 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.912 -0.266 -0.649 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.315 -1.438 -2.159 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.761 -2.971 -1.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.999 -2.796 -3.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.103 -2.427 -2.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.435 -1.182 -3.085 1.00 0.00 H new ATOM 435 N SER A 29 -9.811 -1.118 5.035 1.00 0.00 N ATOM 436 CA SER A 29 -10.467 -0.797 6.275 1.00 0.00 C ATOM 437 C SER A 29 -9.423 -0.516 7.364 1.00 0.00 C ATOM 438 O SER A 29 -9.607 0.355 8.211 1.00 0.00 O ATOM 439 CB SER A 29 -11.370 -1.962 6.680 1.00 0.00 C ATOM 440 OG SER A 29 -12.285 -1.588 7.688 1.00 0.00 O ATOM 0 H SER A 29 -9.832 -2.109 4.795 1.00 0.00 H new ATOM 0 HA SER A 29 -11.076 0.098 6.149 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.916 -2.319 5.807 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.757 -2.791 7.034 1.00 0.00 H new ATOM 0 HG SER A 29 -12.847 -2.356 7.921 1.00 0.00 H new ATOM 446 N LEU A 30 -8.330 -1.247 7.311 1.00 0.00 N ATOM 447 CA LEU A 30 -7.217 -1.100 8.248 1.00 0.00 C ATOM 448 C LEU A 30 -6.499 0.201 7.985 1.00 0.00 C ATOM 449 O LEU A 30 -6.026 0.879 8.903 1.00 0.00 O ATOM 450 CB LEU A 30 -6.289 -2.276 8.060 1.00 0.00 C ATOM 451 CG LEU A 30 -6.921 -3.619 8.381 1.00 0.00 C ATOM 452 CD1 LEU A 30 -6.106 -4.734 7.808 1.00 0.00 C ATOM 453 CD2 LEU A 30 -7.075 -3.787 9.880 1.00 0.00 C ATOM 0 H LEU A 30 -8.179 -1.972 6.610 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.577 -1.081 9.276 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.939 -2.288 7.028 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.412 -2.138 8.692 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.911 -3.651 7.927 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.575 -5.688 8.048 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.046 -4.622 6.725 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.102 -4.706 8.232 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.529 -4.755 10.093 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.095 -3.734 10.355 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.711 -2.993 10.272 1.00 0.00 H new ATOM 465 N LEU A 31 -6.449 0.539 6.729 1.00 0.00 N ATOM 466 CA LEU A 31 -5.914 1.788 6.246 1.00 0.00 C ATOM 467 C LEU A 31 -6.782 2.953 6.727 1.00 0.00 C ATOM 468 O LEU A 31 -6.287 4.019 7.020 1.00 0.00 O ATOM 469 CB LEU A 31 -5.830 1.701 4.708 1.00 0.00 C ATOM 470 CG LEU A 31 -5.970 2.990 3.875 1.00 0.00 C ATOM 471 CD1 LEU A 31 -4.710 3.830 3.884 1.00 0.00 C ATOM 472 CD2 LEU A 31 -6.411 2.669 2.458 1.00 0.00 C ATOM 0 H LEU A 31 -6.791 -0.067 5.983 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.914 1.970 6.639 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.870 1.250 4.457 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.604 1.009 4.375 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.744 3.594 4.349 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.865 4.725 3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.472 4.118 4.908 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.884 3.252 3.469 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.504 3.593 1.888 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.672 2.023 1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.375 2.160 2.483 1.00 0.00 H new ATOM 484 N TRP A 32 -8.057 2.711 6.869 1.00 0.00 N ATOM 485 CA TRP A 32 -8.960 3.743 7.317 1.00 0.00 C ATOM 486 C TRP A 32 -9.049 3.755 8.851 1.00 0.00 C ATOM 487 O TRP A 32 -9.797 4.534 9.442 1.00 0.00 O ATOM 488 CB TRP A 32 -10.334 3.521 6.701 1.00 0.00 C ATOM 489 CG TRP A 32 -10.903 4.771 6.128 1.00 0.00 C ATOM 490 CD1 TRP A 32 -11.957 5.504 6.585 1.00 0.00 C ATOM 491 CD2 TRP A 32 -10.403 5.448 4.987 1.00 0.00 C ATOM 492 NE1 TRP A 32 -12.157 6.587 5.762 1.00 0.00 N ATOM 493 CE2 TRP A 32 -11.204 6.576 4.775 1.00 0.00 C ATOM 494 CE3 TRP A 32 -9.350 5.189 4.120 1.00 0.00 C ATOM 495 CZ2 TRP A 32 -10.980 7.458 3.720 1.00 0.00 C ATOM 496 CZ3 TRP A 32 -9.119 6.059 3.070 1.00 0.00 C ATOM 497 CH2 TRP A 32 -9.933 7.185 2.878 1.00 0.00 C ATOM 0 H TRP A 32 -8.496 1.810 6.682 1.00 0.00 H new ATOM 0 HA TRP A 32 -8.580 4.713 6.995 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -10.262 2.765 5.919 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -11.012 3.130 7.460 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -12.545 5.270 7.460 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -12.894 7.285 5.868 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -8.722 4.322 4.263 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -11.608 8.324 3.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -8.302 5.869 2.390 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -9.731 7.850 2.051 1.00 0.00 H new ATOM 508 N ALA A 33 -8.274 2.887 9.483 1.00 0.00 N ATOM 509 CA ALA A 33 -8.276 2.758 10.927 1.00 0.00 C ATOM 510 C ALA A 33 -7.061 3.425 11.551 1.00 0.00 C ATOM 511 O ALA A 33 -7.025 3.651 12.769 1.00 0.00 O ATOM 512 CB ALA A 33 -8.337 1.293 11.332 1.00 0.00 C ATOM 0 H ALA A 33 -7.629 2.255 9.009 1.00 0.00 H new ATOM 0 HA ALA A 33 -9.165 3.267 11.300 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.338 1.216 12.419 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.248 0.844 10.936 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.470 0.768 10.932 1.00 0.00 H new ATOM 518 N PHE A 34 -6.051 3.708 10.752 1.00 0.00 N ATOM 519 CA PHE A 34 -4.893 4.369 11.263 1.00 0.00 C ATOM 520 C PHE A 34 -5.060 5.868 11.009 1.00 0.00 C ATOM 521 O PHE A 34 -5.833 6.246 10.122 1.00 0.00 O ATOM 522 CB PHE A 34 -3.582 3.794 10.634 1.00 0.00 C ATOM 523 CG PHE A 34 -3.251 4.193 9.216 1.00 0.00 C ATOM 524 CD1 PHE A 34 -2.756 5.455 8.921 1.00 0.00 C ATOM 525 CD2 PHE A 34 -3.416 3.301 8.191 1.00 0.00 C ATOM 526 CE1 PHE A 34 -2.449 5.810 7.634 1.00 0.00 C ATOM 527 CE2 PHE A 34 -3.108 3.653 6.898 1.00 0.00 C ATOM 528 CZ PHE A 34 -2.628 4.908 6.620 1.00 0.00 C ATOM 0 H PHE A 34 -6.019 3.488 9.757 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.798 4.196 12.335 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.747 4.090 11.269 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.641 2.706 10.671 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.610 6.169 9.718 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.792 2.310 8.400 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.067 6.797 7.420 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -3.244 2.939 6.099 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.392 5.184 5.603 1.00 0.00 H new ATOM 672 N THR A 43 -7.855 11.023 1.005 1.00 0.00 N ATOM 673 CA THR A 43 -7.659 9.877 0.114 1.00 0.00 C ATOM 674 C THR A 43 -8.974 9.481 -0.553 1.00 0.00 C ATOM 675 O THR A 43 -9.976 9.223 0.132 1.00 0.00 O ATOM 676 CB THR A 43 -7.069 8.661 0.873 1.00 0.00 C ATOM 677 OG1 THR A 43 -5.828 9.033 1.461 1.00 0.00 O ATOM 678 CG2 THR A 43 -6.838 7.472 -0.055 1.00 0.00 C ATOM 0 HA THR A 43 -6.946 10.180 -0.653 1.00 0.00 H new ATOM 0 HB THR A 43 -7.787 8.363 1.637 1.00 0.00 H new ATOM 0 HG1 THR A 43 -5.823 9.998 1.631 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.424 6.640 0.515 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.785 7.170 -0.502 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.140 7.755 -0.842 1.00 0.00 H new ATOM 686 N PRO A 44 -8.998 9.499 -1.893 1.00 0.00 N ATOM 687 CA PRO A 44 -10.185 9.191 -2.654 1.00 0.00 C ATOM 688 C PRO A 44 -10.656 7.756 -2.463 1.00 0.00 C ATOM 689 O PRO A 44 -10.176 6.829 -3.134 1.00 0.00 O ATOM 690 CB PRO A 44 -9.797 9.466 -4.116 1.00 0.00 C ATOM 691 CG PRO A 44 -8.305 9.467 -4.137 1.00 0.00 C ATOM 692 CD PRO A 44 -7.855 9.866 -2.761 1.00 0.00 C ATOM 0 HA PRO A 44 -11.029 9.798 -2.325 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -10.199 8.700 -4.780 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.195 10.422 -4.455 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.921 8.481 -4.399 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.929 10.165 -4.885 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -6.946 9.339 -2.469 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.637 10.933 -2.705 1.00 0.00 H new ATOM 700 N TRP A 45 -11.589 7.572 -1.535 1.00 0.00 N ATOM 701 CA TRP A 45 -12.148 6.274 -1.244 1.00 0.00 C ATOM 702 C TRP A 45 -12.965 5.824 -2.443 1.00 0.00 C ATOM 703 O TRP A 45 -13.071 4.641 -2.720 1.00 0.00 O ATOM 704 CB TRP A 45 -13.002 6.297 0.060 1.00 0.00 C ATOM 705 CG TRP A 45 -13.639 4.968 0.416 1.00 0.00 C ATOM 706 CD1 TRP A 45 -14.774 4.455 -0.118 1.00 0.00 C ATOM 707 CD2 TRP A 45 -13.189 4.001 1.383 1.00 0.00 C ATOM 708 NE1 TRP A 45 -15.045 3.231 0.417 1.00 0.00 N ATOM 709 CE2 TRP A 45 -14.098 2.927 1.345 1.00 0.00 C ATOM 710 CE3 TRP A 45 -12.113 3.932 2.262 1.00 0.00 C ATOM 711 CZ2 TRP A 45 -13.961 1.800 2.149 1.00 0.00 C ATOM 712 CZ3 TRP A 45 -11.978 2.811 3.064 1.00 0.00 C ATOM 713 CH2 TRP A 45 -12.897 1.760 3.002 1.00 0.00 C ATOM 0 H TRP A 45 -11.974 8.326 -0.967 1.00 0.00 H new ATOM 0 HA TRP A 45 -11.343 5.561 -1.066 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -12.369 6.616 0.888 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -13.787 7.045 -0.048 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -15.380 4.948 -0.864 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -15.834 2.637 0.162 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -11.396 4.738 2.318 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -14.670 0.987 2.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -11.147 2.748 3.750 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -12.762 0.900 3.641 1.00 0.00 H new ATOM 724 N SER A 46 -13.492 6.791 -3.172 1.00 0.00 N ATOM 725 CA SER A 46 -14.228 6.529 -4.392 1.00 0.00 C ATOM 726 C SER A 46 -13.351 5.746 -5.390 1.00 0.00 C ATOM 727 O SER A 46 -13.860 4.903 -6.159 1.00 0.00 O ATOM 728 CB SER A 46 -14.743 7.846 -4.996 1.00 0.00 C ATOM 729 OG SER A 46 -15.520 7.625 -6.164 1.00 0.00 O ATOM 0 H SER A 46 -13.421 7.780 -2.933 1.00 0.00 H new ATOM 0 HA SER A 46 -15.095 5.910 -4.161 1.00 0.00 H new ATOM 0 HB2 SER A 46 -15.343 8.375 -4.255 1.00 0.00 H new ATOM 0 HB3 SER A 46 -13.897 8.489 -5.239 1.00 0.00 H new ATOM 0 HG SER A 46 -15.831 8.485 -6.518 1.00 0.00 H new ATOM 735 N GLU A 47 -12.041 6.000 -5.377 1.00 0.00 N ATOM 736 CA GLU A 47 -11.164 5.197 -6.170 1.00 0.00 C ATOM 737 C GLU A 47 -10.879 3.900 -5.469 1.00 0.00 C ATOM 738 O GLU A 47 -11.061 2.843 -6.057 1.00 0.00 O ATOM 739 CB GLU A 47 -9.849 5.872 -6.555 1.00 0.00 C ATOM 740 CG GLU A 47 -9.962 6.964 -7.592 1.00 0.00 C ATOM 741 CD GLU A 47 -8.658 7.136 -8.337 1.00 0.00 C ATOM 742 OE1 GLU A 47 -8.398 6.348 -9.265 1.00 0.00 O ATOM 743 OE2 GLU A 47 -7.881 8.048 -8.036 1.00 0.00 O ATOM 0 H GLU A 47 -11.591 6.739 -4.836 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.696 5.027 -7.106 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.399 6.293 -5.656 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.164 5.110 -6.927 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.759 6.722 -8.296 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.237 7.902 -7.110 1.00 0.00 H new ATOM 750 N VAL A 48 -10.499 3.980 -4.174 1.00 0.00 N ATOM 751 CA VAL A 48 -10.081 2.792 -3.408 1.00 0.00 C ATOM 752 C VAL A 48 -11.166 1.701 -3.409 1.00 0.00 C ATOM 753 O VAL A 48 -10.847 0.527 -3.357 1.00 0.00 O ATOM 754 CB VAL A 48 -9.645 3.092 -1.923 1.00 0.00 C ATOM 755 CG1 VAL A 48 -8.806 4.332 -1.789 1.00 0.00 C ATOM 756 CG2 VAL A 48 -10.787 3.059 -0.929 1.00 0.00 C ATOM 0 H VAL A 48 -10.474 4.851 -3.643 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.195 2.435 -3.933 1.00 0.00 H new ATOM 0 HB VAL A 48 -9.000 2.255 -1.655 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.540 4.480 -0.742 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.898 4.223 -2.382 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -9.371 5.194 -2.146 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.407 3.275 0.069 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -11.530 3.807 -1.204 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -11.247 2.071 -0.936 1.00 0.00 H new ATOM 766 N GLU A 49 -12.441 2.122 -3.466 1.00 0.00 N ATOM 767 CA GLU A 49 -13.573 1.235 -3.510 1.00 0.00 C ATOM 768 C GLU A 49 -13.433 0.204 -4.609 1.00 0.00 C ATOM 769 O GLU A 49 -13.272 -0.983 -4.342 1.00 0.00 O ATOM 770 CB GLU A 49 -14.863 2.025 -3.711 1.00 0.00 C ATOM 771 CG GLU A 49 -15.712 2.151 -2.485 1.00 0.00 C ATOM 772 CD GLU A 49 -17.041 2.793 -2.768 1.00 0.00 C ATOM 773 OE1 GLU A 49 -17.138 4.043 -2.772 1.00 0.00 O ATOM 774 OE2 GLU A 49 -18.025 2.054 -2.975 1.00 0.00 O ATOM 0 H GLU A 49 -12.698 3.109 -3.482 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.612 0.712 -2.555 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.611 3.024 -4.067 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -15.449 1.546 -4.495 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -15.874 1.162 -2.056 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -15.180 2.739 -1.738 1.00 0.00 H new ATOM 781 N GLU A 50 -13.415 0.674 -5.830 1.00 0.00 N ATOM 782 CA GLU A 50 -13.380 -0.201 -6.980 1.00 0.00 C ATOM 783 C GLU A 50 -11.956 -0.647 -7.283 1.00 0.00 C ATOM 784 O GLU A 50 -11.735 -1.635 -7.990 1.00 0.00 O ATOM 785 CB GLU A 50 -14.008 0.498 -8.181 1.00 0.00 C ATOM 786 CG GLU A 50 -15.427 0.968 -7.908 1.00 0.00 C ATOM 787 CD GLU A 50 -16.063 1.663 -9.076 1.00 0.00 C ATOM 788 OE1 GLU A 50 -15.696 2.830 -9.365 1.00 0.00 O ATOM 789 OE2 GLU A 50 -16.964 1.079 -9.716 1.00 0.00 O ATOM 0 H GLU A 50 -13.424 1.668 -6.057 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.960 -1.097 -6.758 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.393 1.354 -8.461 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -14.012 -0.183 -9.032 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -16.038 0.110 -7.629 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -15.419 1.644 -7.053 1.00 0.00 H new ATOM 796 N ALA A 51 -11.002 0.078 -6.737 1.00 0.00 N ATOM 797 CA ALA A 51 -9.599 -0.214 -6.916 1.00 0.00 C ATOM 798 C ALA A 51 -9.219 -1.518 -6.297 1.00 0.00 C ATOM 799 O ALA A 51 -9.568 -1.816 -5.146 1.00 0.00 O ATOM 800 CB ALA A 51 -8.742 0.876 -6.336 1.00 0.00 C ATOM 0 H ALA A 51 -11.183 0.894 -6.152 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.428 -0.277 -7.991 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -7.691 0.630 -6.485 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -8.968 1.820 -6.833 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.945 0.970 -5.269 1.00 0.00 H new ATOM 806 N ASP A 52 -8.509 -2.282 -7.055 1.00 0.00 N ATOM 807 CA ASP A 52 -8.011 -3.532 -6.605 1.00 0.00 C ATOM 808 C ASP A 52 -6.568 -3.623 -6.972 1.00 0.00 C ATOM 809 O ASP A 52 -6.158 -3.058 -8.003 1.00 0.00 O ATOM 810 CB ASP A 52 -8.778 -4.727 -7.200 1.00 0.00 C ATOM 811 CG ASP A 52 -8.528 -4.956 -8.686 1.00 0.00 C ATOM 812 OD1 ASP A 52 -7.549 -5.627 -9.046 1.00 0.00 O ATOM 813 OD2 ASP A 52 -9.310 -4.465 -9.517 1.00 0.00 O ATOM 0 H ASP A 52 -8.256 -2.051 -8.016 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.145 -3.582 -5.524 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.502 -5.629 -6.654 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.846 -4.573 -7.043 1.00 0.00 H new ATOM 818 N GLY A 53 -5.803 -4.246 -6.091 1.00 0.00 N ATOM 819 CA GLY A 53 -4.402 -4.529 -6.293 1.00 0.00 C ATOM 820 C GLY A 53 -3.582 -3.354 -6.785 1.00 0.00 C ATOM 821 O GLY A 53 -3.258 -2.443 -6.012 1.00 0.00 O ATOM 0 H GLY A 53 -6.155 -4.576 -5.192 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.978 -4.882 -5.353 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.310 -5.344 -7.011 1.00 0.00 H new ATOM 825 N LYS A 54 -3.307 -3.352 -8.095 1.00 0.00 N ATOM 826 CA LYS A 54 -2.490 -2.327 -8.742 1.00 0.00 C ATOM 827 C LYS A 54 -3.095 -0.975 -8.519 1.00 0.00 C ATOM 828 O LYS A 54 -2.401 -0.018 -8.184 1.00 0.00 O ATOM 829 CB LYS A 54 -2.397 -2.560 -10.260 1.00 0.00 C ATOM 830 CG LYS A 54 -1.302 -1.733 -10.949 1.00 0.00 C ATOM 831 CD LYS A 54 -1.785 -0.733 -12.018 1.00 0.00 C ATOM 832 CE LYS A 54 -2.423 0.508 -11.415 1.00 0.00 C ATOM 833 NZ LYS A 54 -2.662 1.564 -12.423 1.00 0.00 N ATOM 0 H LYS A 54 -3.649 -4.067 -8.737 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.493 -2.382 -8.305 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.210 -3.618 -10.445 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.359 -2.322 -10.714 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.755 -1.181 -10.184 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.594 -2.419 -11.415 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.941 -0.437 -12.640 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.505 -1.226 -12.672 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.369 0.236 -10.946 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.778 0.899 -10.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.602 2.498 -11.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.944 1.497 -13.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.608 1.441 -12.837 1.00 0.00 H new ATOM 847 N LYS A 55 -4.396 -0.897 -8.698 1.00 0.00 N ATOM 848 CA LYS A 55 -5.087 0.353 -8.565 1.00 0.00 C ATOM 849 C LYS A 55 -4.988 0.910 -7.172 1.00 0.00 C ATOM 850 O LYS A 55 -4.856 2.100 -7.006 1.00 0.00 O ATOM 851 CB LYS A 55 -6.544 0.269 -8.993 1.00 0.00 C ATOM 852 CG LYS A 55 -6.793 0.519 -10.463 1.00 0.00 C ATOM 853 CD LYS A 55 -6.541 1.980 -10.872 1.00 0.00 C ATOM 854 CE LYS A 55 -7.514 2.966 -10.206 1.00 0.00 C ATOM 855 NZ LYS A 55 -7.284 4.359 -10.663 1.00 0.00 N ATOM 0 H LYS A 55 -4.992 -1.690 -8.936 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.581 1.038 -9.245 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.926 -0.720 -8.738 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.119 0.992 -8.414 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.149 -0.134 -11.052 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.822 0.252 -10.703 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.519 2.254 -10.610 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.627 2.068 -11.955 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.539 2.674 -10.432 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.399 2.915 -9.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.783 5.018 -10.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.265 4.567 -10.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.643 4.470 -11.633 1.00 0.00 H new ATOM 869 N LEU A 56 -5.019 0.049 -6.177 1.00 0.00 N ATOM 870 CA LEU A 56 -4.943 0.519 -4.824 1.00 0.00 C ATOM 871 C LEU A 56 -3.540 1.036 -4.526 1.00 0.00 C ATOM 872 O LEU A 56 -3.378 2.078 -3.904 1.00 0.00 O ATOM 873 CB LEU A 56 -5.364 -0.542 -3.824 1.00 0.00 C ATOM 874 CG LEU A 56 -5.463 -0.051 -2.367 1.00 0.00 C ATOM 875 CD1 LEU A 56 -6.481 1.072 -2.231 1.00 0.00 C ATOM 876 CD2 LEU A 56 -5.820 -1.181 -1.448 1.00 0.00 C ATOM 0 H LEU A 56 -5.095 -0.963 -6.283 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.649 1.342 -4.718 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.332 -0.941 -4.125 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.652 -1.366 -3.868 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.484 0.337 -2.084 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.528 1.397 -1.192 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.184 1.911 -2.860 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.462 0.714 -2.544 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.884 -0.811 -0.425 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.782 -1.600 -1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.054 -1.954 -1.507 1.00 0.00 H new ATOM 888 N ALA A 57 -2.539 0.324 -5.035 1.00 0.00 N ATOM 889 CA ALA A 57 -1.128 0.708 -4.895 1.00 0.00 C ATOM 890 C ALA A 57 -0.900 2.099 -5.488 1.00 0.00 C ATOM 891 O ALA A 57 -0.143 2.918 -4.951 1.00 0.00 O ATOM 892 CB ALA A 57 -0.264 -0.304 -5.626 1.00 0.00 C ATOM 0 H ALA A 57 -2.679 -0.540 -5.559 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.862 0.728 -3.838 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.785 -0.026 -5.527 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.419 -1.293 -5.196 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.537 -0.320 -6.681 1.00 0.00 H new ATOM 898 N GLU A 58 -1.605 2.354 -6.567 1.00 0.00 N ATOM 899 CA GLU A 58 -1.560 3.602 -7.290 1.00 0.00 C ATOM 900 C GLU A 58 -2.055 4.746 -6.409 1.00 0.00 C ATOM 901 O GLU A 58 -1.521 5.851 -6.447 1.00 0.00 O ATOM 902 CB GLU A 58 -2.453 3.461 -8.504 1.00 0.00 C ATOM 903 CG GLU A 58 -2.599 4.688 -9.353 1.00 0.00 C ATOM 904 CD GLU A 58 -3.698 4.513 -10.345 1.00 0.00 C ATOM 905 OE1 GLU A 58 -3.461 3.904 -11.412 1.00 0.00 O ATOM 906 OE2 GLU A 58 -4.822 4.944 -10.071 1.00 0.00 O ATOM 0 H GLU A 58 -2.246 1.675 -6.978 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.536 3.828 -7.589 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.063 2.656 -9.127 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.444 3.154 -8.169 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.807 5.551 -8.721 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.662 4.891 -9.872 1.00 0.00 H new ATOM 913 N ILE A 59 -3.051 4.454 -5.601 1.00 0.00 N ATOM 914 CA ILE A 59 -3.659 5.429 -4.730 1.00 0.00 C ATOM 915 C ILE A 59 -2.730 5.738 -3.538 1.00 0.00 C ATOM 916 O ILE A 59 -2.717 6.856 -3.021 1.00 0.00 O ATOM 917 CB ILE A 59 -5.059 4.937 -4.277 1.00 0.00 C ATOM 918 CG1 ILE A 59 -5.906 4.682 -5.535 1.00 0.00 C ATOM 919 CG2 ILE A 59 -5.737 5.987 -3.397 1.00 0.00 C ATOM 920 CD1 ILE A 59 -7.084 3.780 -5.339 1.00 0.00 C ATOM 0 H ILE A 59 -3.463 3.524 -5.532 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.802 6.363 -5.273 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.959 4.022 -3.694 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.262 5.640 -5.914 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.264 4.253 -6.305 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.718 5.625 -3.089 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.125 6.172 -2.515 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.853 6.913 -3.960 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.615 3.664 -6.284 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.742 2.805 -4.993 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.755 4.213 -4.597 1.00 0.00 H new ATOM 932 N LEU A 60 -1.919 4.759 -3.146 1.00 0.00 N ATOM 933 CA LEU A 60 -0.917 4.982 -2.093 1.00 0.00 C ATOM 934 C LEU A 60 0.179 5.925 -2.583 1.00 0.00 C ATOM 935 O LEU A 60 0.555 6.864 -1.893 1.00 0.00 O ATOM 936 CB LEU A 60 -0.278 3.669 -1.562 1.00 0.00 C ATOM 937 CG LEU A 60 -1.033 2.874 -0.467 1.00 0.00 C ATOM 938 CD1 LEU A 60 -1.246 3.710 0.788 1.00 0.00 C ATOM 939 CD2 LEU A 60 -2.345 2.325 -0.970 1.00 0.00 C ATOM 0 H LEU A 60 -1.930 3.815 -3.531 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.454 5.436 -1.260 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.130 3.004 -2.413 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.710 3.914 -1.173 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.399 2.027 -0.205 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.778 3.119 1.533 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.280 4.015 1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.832 4.595 0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.840 1.775 -0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.983 3.147 -1.294 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.161 1.655 -1.810 1.00 0.00 H new ATOM 951 N VAL A 61 0.653 5.703 -3.809 1.00 0.00 N ATOM 952 CA VAL A 61 1.730 6.532 -4.373 1.00 0.00 C ATOM 953 C VAL A 61 1.147 7.847 -4.947 1.00 0.00 C ATOM 954 O VAL A 61 1.857 8.729 -5.428 1.00 0.00 O ATOM 955 CB VAL A 61 2.542 5.741 -5.453 1.00 0.00 C ATOM 956 CG1 VAL A 61 1.706 5.441 -6.680 1.00 0.00 C ATOM 957 CG2 VAL A 61 3.853 6.439 -5.819 1.00 0.00 C ATOM 0 H VAL A 61 0.316 4.966 -4.428 1.00 0.00 H new ATOM 0 HA VAL A 61 2.425 6.791 -3.575 1.00 0.00 H new ATOM 0 HB VAL A 61 2.809 4.785 -5.003 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.307 4.891 -7.404 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.843 4.840 -6.394 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.366 6.376 -7.126 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.380 5.852 -6.571 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.638 7.431 -6.217 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.476 6.532 -4.930 1.00 0.00 H new ATOM 967 N ASN A 62 -0.156 7.949 -4.873 1.00 0.00 N ATOM 968 CA ASN A 62 -0.900 9.111 -5.337 1.00 0.00 C ATOM 969 C ASN A 62 -0.798 10.211 -4.283 1.00 0.00 C ATOM 970 O ASN A 62 -0.709 11.398 -4.605 1.00 0.00 O ATOM 971 CB ASN A 62 -2.387 8.696 -5.543 1.00 0.00 C ATOM 972 CG ASN A 62 -3.349 9.769 -6.068 1.00 0.00 C ATOM 973 OD1 ASN A 62 -3.175 10.961 -5.867 1.00 0.00 O ATOM 974 ND2 ASN A 62 -4.384 9.338 -6.745 1.00 0.00 N ATOM 0 H ASN A 62 -0.748 7.216 -4.482 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.495 9.481 -6.279 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.410 7.854 -6.235 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.772 8.335 -4.589 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.063 10.002 -7.116 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.511 8.338 -6.902 1.00 0.00 H new ATOM 981 N THR A 63 -0.773 9.802 -3.040 1.00 0.00 N ATOM 982 CA THR A 63 -0.797 10.708 -1.937 1.00 0.00 C ATOM 983 C THR A 63 0.600 11.007 -1.337 1.00 0.00 C ATOM 984 O THR A 63 1.129 12.122 -1.502 1.00 0.00 O ATOM 985 CB THR A 63 -1.763 10.158 -0.866 1.00 0.00 C ATOM 986 OG1 THR A 63 -1.572 8.736 -0.767 1.00 0.00 O ATOM 987 CG2 THR A 63 -3.214 10.448 -1.238 1.00 0.00 C ATOM 0 H THR A 63 -0.735 8.819 -2.770 1.00 0.00 H new ATOM 0 HA THR A 63 -1.150 11.670 -2.309 1.00 0.00 H new ATOM 0 HB THR A 63 -1.552 10.643 0.087 1.00 0.00 H new ATOM 0 HG1 THR A 63 -2.178 8.371 -0.089 1.00 0.00 H new ATOM 0 HG21 THR A 63 -3.874 10.050 -0.467 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.360 11.525 -1.320 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.446 9.976 -2.193 1.00 0.00 H new ATOM 995 N SER A 64 1.198 10.024 -0.704 1.00 0.00 N ATOM 996 CA SER A 64 2.421 10.223 0.064 1.00 0.00 C ATOM 997 C SER A 64 3.715 9.959 -0.699 1.00 0.00 C ATOM 998 O SER A 64 3.720 9.516 -1.853 1.00 0.00 O ATOM 999 CB SER A 64 2.366 9.335 1.285 1.00 0.00 C ATOM 1000 OG SER A 64 1.217 9.610 2.033 1.00 0.00 O ATOM 0 H SER A 64 0.857 9.063 -0.702 1.00 0.00 H new ATOM 0 HA SER A 64 2.453 11.282 0.322 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.369 8.288 0.982 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.254 9.492 1.898 1.00 0.00 H new ATOM 0 HG SER A 64 1.140 8.962 2.764 1.00 0.00 H new ATOM 1006 N SER A 65 4.812 10.265 -0.022 1.00 0.00 N ATOM 1007 CA SER A 65 6.145 10.031 -0.500 1.00 0.00 C ATOM 1008 C SER A 65 6.510 8.574 -0.197 1.00 0.00 C ATOM 1009 O SER A 65 5.980 7.996 0.770 1.00 0.00 O ATOM 1010 CB SER A 65 7.075 10.981 0.247 1.00 0.00 C ATOM 1011 OG SER A 65 6.574 12.321 0.186 1.00 0.00 O ATOM 0 H SER A 65 4.786 10.696 0.902 1.00 0.00 H new ATOM 0 HA SER A 65 6.230 10.204 -1.573 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.167 10.667 1.287 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.074 10.939 -0.188 1.00 0.00 H new ATOM 0 HG SER A 65 7.180 12.919 0.671 1.00 0.00 H new ATOM 1017 N GLU A 66 7.416 7.995 -0.989 1.00 0.00 N ATOM 1018 CA GLU A 66 7.790 6.582 -0.868 1.00 0.00 C ATOM 1019 C GLU A 66 8.211 6.180 0.537 1.00 0.00 C ATOM 1020 O GLU A 66 7.857 5.118 1.001 1.00 0.00 O ATOM 1021 CB GLU A 66 8.829 6.153 -1.947 1.00 0.00 C ATOM 1022 CG GLU A 66 10.154 6.947 -2.022 1.00 0.00 C ATOM 1023 CD GLU A 66 11.075 6.757 -0.831 1.00 0.00 C ATOM 1024 OE1 GLU A 66 11.450 5.612 -0.524 1.00 0.00 O ATOM 1025 OE2 GLU A 66 11.398 7.764 -0.158 1.00 0.00 O ATOM 0 H GLU A 66 7.910 8.490 -1.731 1.00 0.00 H new ATOM 0 HA GLU A 66 6.877 6.020 -1.065 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.075 5.105 -1.778 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.345 6.214 -2.922 1.00 0.00 H new ATOM 0 HG2 GLU A 66 10.687 6.654 -2.927 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.921 8.007 -2.119 1.00 0.00 H new ATOM 1032 N ASN A 67 8.893 7.072 1.214 1.00 0.00 N ATOM 1033 CA ASN A 67 9.416 6.828 2.560 1.00 0.00 C ATOM 1034 C ASN A 67 8.288 6.566 3.557 1.00 0.00 C ATOM 1035 O ASN A 67 8.413 5.749 4.466 1.00 0.00 O ATOM 1036 CB ASN A 67 10.282 8.015 2.989 1.00 0.00 C ATOM 1037 CG ASN A 67 10.912 7.875 4.368 1.00 0.00 C ATOM 1038 OD1 ASN A 67 11.194 6.784 4.852 1.00 0.00 O ATOM 1039 ND2 ASN A 67 11.154 8.981 4.988 1.00 0.00 N ATOM 0 H ASN A 67 9.109 8.001 0.853 1.00 0.00 H new ATOM 0 HA ASN A 67 10.033 5.930 2.544 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.075 8.153 2.254 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.671 8.918 2.973 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.592 8.964 5.909 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.907 9.872 4.557 1.00 0.00 H new ATOM 1046 N TRP A 68 7.166 7.206 3.338 1.00 0.00 N ATOM 1047 CA TRP A 68 6.037 7.021 4.202 1.00 0.00 C ATOM 1048 C TRP A 68 5.310 5.749 3.778 1.00 0.00 C ATOM 1049 O TRP A 68 5.003 4.898 4.603 1.00 0.00 O ATOM 1050 CB TRP A 68 5.104 8.243 4.125 1.00 0.00 C ATOM 1051 CG TRP A 68 3.966 8.238 5.118 1.00 0.00 C ATOM 1052 CD1 TRP A 68 3.968 8.790 6.371 1.00 0.00 C ATOM 1053 CD2 TRP A 68 2.657 7.675 4.937 1.00 0.00 C ATOM 1054 NE1 TRP A 68 2.747 8.601 6.968 1.00 0.00 N ATOM 1055 CE2 TRP A 68 1.930 7.927 6.112 1.00 0.00 C ATOM 1056 CE3 TRP A 68 2.029 6.986 3.898 1.00 0.00 C ATOM 1057 CZ2 TRP A 68 0.616 7.517 6.275 1.00 0.00 C ATOM 1058 CZ3 TRP A 68 0.725 6.582 4.063 1.00 0.00 C ATOM 1059 CH2 TRP A 68 0.033 6.851 5.240 1.00 0.00 C ATOM 0 H TRP A 68 7.015 7.858 2.568 1.00 0.00 H new ATOM 0 HA TRP A 68 6.365 6.922 5.237 1.00 0.00 H new ATOM 0 HB2 TRP A 68 5.697 9.145 4.279 1.00 0.00 H new ATOM 0 HB3 TRP A 68 4.689 8.302 3.119 1.00 0.00 H new ATOM 0 HD1 TRP A 68 4.807 9.299 6.823 1.00 0.00 H new ATOM 0 HE1 TRP A 68 2.492 8.915 7.904 1.00 0.00 H new ATOM 0 HE3 TRP A 68 2.558 6.774 2.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 0.075 7.718 7.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 0.230 6.047 3.266 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -0.992 6.524 5.335 1.00 0.00 H new ATOM 1070 N ILE A 69 5.113 5.598 2.473 1.00 0.00 N ATOM 1071 CA ILE A 69 4.366 4.465 1.912 1.00 0.00 C ATOM 1072 C ILE A 69 5.066 3.135 2.196 1.00 0.00 C ATOM 1073 O ILE A 69 4.411 2.135 2.526 1.00 0.00 O ATOM 1074 CB ILE A 69 4.201 4.591 0.385 1.00 0.00 C ATOM 1075 CG1 ILE A 69 3.616 5.945 0.012 1.00 0.00 C ATOM 1076 CG2 ILE A 69 3.279 3.480 -0.115 1.00 0.00 C ATOM 1077 CD1 ILE A 69 3.680 6.230 -1.467 1.00 0.00 C ATOM 0 H ILE A 69 5.463 6.251 1.772 1.00 0.00 H new ATOM 0 HA ILE A 69 3.388 4.483 2.394 1.00 0.00 H new ATOM 0 HB ILE A 69 5.182 4.501 -0.081 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.577 5.988 0.340 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.152 6.727 0.550 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.159 3.565 -1.195 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.714 2.510 0.127 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.305 3.571 0.366 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.247 7.210 -1.668 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.719 6.218 -1.795 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.120 5.468 -2.009 1.00 0.00 H new ATOM 1089 N ARG A 70 6.391 3.143 2.101 1.00 0.00 N ATOM 1090 CA ARG A 70 7.210 1.945 2.279 1.00 0.00 C ATOM 1091 C ARG A 70 7.086 1.396 3.695 1.00 0.00 C ATOM 1092 O ARG A 70 7.353 0.239 3.941 1.00 0.00 O ATOM 1093 CB ARG A 70 8.687 2.216 1.893 1.00 0.00 C ATOM 1094 CG ARG A 70 9.505 3.063 2.869 1.00 0.00 C ATOM 1095 CD ARG A 70 10.826 3.499 2.229 1.00 0.00 C ATOM 1096 NE ARG A 70 11.769 4.076 3.196 1.00 0.00 N ATOM 1097 CZ ARG A 70 12.804 4.874 2.875 1.00 0.00 C ATOM 1098 NH1 ARG A 70 12.917 5.379 1.656 1.00 0.00 N ATOM 1099 NH2 ARG A 70 13.698 5.203 3.805 1.00 0.00 N ATOM 0 H ARG A 70 6.932 3.984 1.897 1.00 0.00 H new ATOM 0 HA ARG A 70 6.833 1.178 1.603 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.189 1.256 1.771 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.700 2.708 0.921 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.931 3.941 3.166 1.00 0.00 H new ATOM 0 HG3 ARG A 70 9.705 2.492 3.775 1.00 0.00 H new ATOM 0 HD2 ARG A 70 11.290 2.639 1.746 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.621 4.232 1.448 1.00 0.00 H new ATOM 0 HE ARG A 70 11.629 3.856 4.182 1.00 0.00 H new ATOM 0 HH11 ARG A 70 12.215 5.164 0.948 1.00 0.00 H new ATOM 0 HH12 ARG A 70 13.706 5.983 1.425 1.00 0.00 H new ATOM 0 HH21 ARG A 70 13.597 4.850 4.757 1.00 0.00 H new ATOM 0 HH22 ARG A 70 14.484 5.808 3.566 1.00 0.00 H new ATOM 1113 N ASN A 71 6.667 2.244 4.608 1.00 0.00 N ATOM 1114 CA ASN A 71 6.420 1.837 5.974 1.00 0.00 C ATOM 1115 C ASN A 71 4.920 1.562 6.152 1.00 0.00 C ATOM 1116 O ASN A 71 4.517 0.600 6.828 1.00 0.00 O ATOM 1117 CB ASN A 71 6.898 2.935 6.947 1.00 0.00 C ATOM 1118 CG ASN A 71 6.713 2.570 8.416 1.00 0.00 C ATOM 1119 OD1 ASN A 71 7.589 1.945 9.033 1.00 0.00 O ATOM 1120 ND2 ASN A 71 5.611 2.977 9.000 1.00 0.00 N ATOM 0 H ASN A 71 6.488 3.232 4.426 1.00 0.00 H new ATOM 0 HA ASN A 71 6.976 0.926 6.195 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.953 3.139 6.762 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.354 3.856 6.739 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.456 2.782 9.989 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.909 3.489 8.465 1.00 0.00 H new ATOM 1127 N ALA A 72 4.111 2.398 5.494 1.00 0.00 N ATOM 1128 CA ALA A 72 2.649 2.346 5.540 1.00 0.00 C ATOM 1129 C ALA A 72 2.083 1.014 5.096 1.00 0.00 C ATOM 1130 O ALA A 72 1.330 0.383 5.836 1.00 0.00 O ATOM 1131 CB ALA A 72 2.053 3.445 4.690 1.00 0.00 C ATOM 0 H ALA A 72 4.465 3.148 4.900 1.00 0.00 H new ATOM 0 HA ALA A 72 2.377 2.484 6.586 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.965 3.391 4.736 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.384 4.414 5.063 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.379 3.323 3.657 1.00 0.00 H new ATOM 1137 N THR A 73 2.453 0.576 3.897 1.00 0.00 N ATOM 1138 CA THR A 73 1.912 -0.655 3.346 1.00 0.00 C ATOM 1139 C THR A 73 2.304 -1.849 4.210 1.00 0.00 C ATOM 1140 O THR A 73 1.507 -2.762 4.407 1.00 0.00 O ATOM 1141 CB THR A 73 2.308 -0.875 1.840 1.00 0.00 C ATOM 1142 OG1 THR A 73 1.660 -2.041 1.318 1.00 0.00 O ATOM 1143 CG2 THR A 73 3.824 -1.012 1.651 1.00 0.00 C ATOM 0 H THR A 73 3.122 1.054 3.293 1.00 0.00 H new ATOM 0 HA THR A 73 0.826 -0.562 3.361 1.00 0.00 H new ATOM 0 HB THR A 73 1.979 0.010 1.295 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.915 -2.164 0.380 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.047 -1.162 0.595 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.318 -0.105 2.001 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.186 -1.866 2.223 1.00 0.00 H new ATOM 1151 N VAL A 74 3.498 -1.787 4.774 1.00 0.00 N ATOM 1152 CA VAL A 74 4.011 -2.829 5.627 1.00 0.00 C ATOM 1153 C VAL A 74 3.163 -2.945 6.885 1.00 0.00 C ATOM 1154 O VAL A 74 2.730 -4.027 7.238 1.00 0.00 O ATOM 1155 CB VAL A 74 5.500 -2.567 5.983 1.00 0.00 C ATOM 1156 CG1 VAL A 74 6.005 -3.535 7.039 1.00 0.00 C ATOM 1157 CG2 VAL A 74 6.354 -2.680 4.733 1.00 0.00 C ATOM 0 H VAL A 74 4.139 -1.003 4.648 1.00 0.00 H new ATOM 0 HA VAL A 74 3.958 -3.775 5.089 1.00 0.00 H new ATOM 0 HB VAL A 74 5.573 -1.559 6.392 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.050 -3.319 7.260 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.412 -3.425 7.947 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.916 -4.556 6.669 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.398 -2.495 4.987 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.254 -3.681 4.314 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.024 -1.945 3.999 1.00 0.00 H new ATOM 1167 N ASN A 75 2.855 -1.808 7.493 1.00 0.00 N ATOM 1168 CA ASN A 75 2.087 -1.763 8.749 1.00 0.00 C ATOM 1169 C ASN A 75 0.700 -2.398 8.551 1.00 0.00 C ATOM 1170 O ASN A 75 0.197 -3.067 9.440 1.00 0.00 O ATOM 1171 CB ASN A 75 1.949 -0.303 9.232 1.00 0.00 C ATOM 1172 CG ASN A 75 1.554 -0.124 10.719 1.00 0.00 C ATOM 1173 OD1 ASN A 75 1.932 0.875 11.341 1.00 0.00 O ATOM 1174 ND2 ASN A 75 0.821 -1.046 11.298 1.00 0.00 N ATOM 0 H ASN A 75 3.125 -0.890 7.139 1.00 0.00 H new ATOM 0 HA ASN A 75 2.621 -2.334 9.509 1.00 0.00 H new ATOM 0 HB2 ASN A 75 2.897 0.208 9.063 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.203 0.196 8.614 1.00 0.00 H new ATOM 0 HD21 ASN A 75 0.554 -0.945 12.277 1.00 0.00 H new ATOM 0 HD22 ASN A 75 0.518 -1.864 10.769 1.00 0.00 H new ATOM 1181 N ILE A 76 0.111 -2.213 7.376 1.00 0.00 N ATOM 1182 CA ILE A 76 -1.199 -2.814 7.072 1.00 0.00 C ATOM 1183 C ILE A 76 -1.055 -4.345 6.983 1.00 0.00 C ATOM 1184 O ILE A 76 -1.867 -5.083 7.533 1.00 0.00 O ATOM 1185 CB ILE A 76 -1.801 -2.284 5.738 1.00 0.00 C ATOM 1186 CG1 ILE A 76 -1.873 -0.742 5.722 1.00 0.00 C ATOM 1187 CG2 ILE A 76 -3.195 -2.875 5.526 1.00 0.00 C ATOM 1188 CD1 ILE A 76 -2.879 -0.131 6.674 1.00 0.00 C ATOM 0 H ILE A 76 0.509 -1.658 6.618 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.877 -2.535 7.878 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.145 -2.596 4.925 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.886 -0.346 5.960 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.111 -0.416 4.709 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.611 -2.500 4.591 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.127 -3.962 5.483 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.843 -2.585 6.353 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.851 0.955 6.585 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.878 -0.489 6.427 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.633 -0.418 7.696 1.00 0.00 H new ATOM 1200 N LEU A 77 0.003 -4.807 6.312 1.00 0.00 N ATOM 1201 CA LEU A 77 0.287 -6.244 6.213 1.00 0.00 C ATOM 1202 C LEU A 77 0.548 -6.827 7.597 1.00 0.00 C ATOM 1203 O LEU A 77 0.089 -7.931 7.914 1.00 0.00 O ATOM 1204 CB LEU A 77 1.473 -6.526 5.283 1.00 0.00 C ATOM 1205 CG LEU A 77 1.219 -6.420 3.775 1.00 0.00 C ATOM 1206 CD1 LEU A 77 2.230 -5.498 3.119 1.00 0.00 C ATOM 1207 CD2 LEU A 77 1.333 -7.789 3.141 1.00 0.00 C ATOM 0 H LEU A 77 0.676 -4.211 5.830 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.591 -6.726 5.782 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.276 -5.835 5.540 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.837 -7.531 5.495 1.00 0.00 H new ATOM 0 HG LEU A 77 0.217 -6.016 3.629 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.029 -5.439 2.049 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.153 -4.503 3.558 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.235 -5.888 3.278 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.152 -7.710 2.069 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.333 -8.187 3.312 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.596 -8.458 3.585 1.00 0.00 H new ATOM 1219 N GLU A 78 1.250 -6.061 8.422 1.00 0.00 N ATOM 1220 CA GLU A 78 1.515 -6.422 9.809 1.00 0.00 C ATOM 1221 C GLU A 78 0.196 -6.574 10.566 1.00 0.00 C ATOM 1222 O GLU A 78 0.011 -7.520 11.332 1.00 0.00 O ATOM 1223 CB GLU A 78 2.410 -5.368 10.489 1.00 0.00 C ATOM 1224 CG GLU A 78 3.788 -5.202 9.857 1.00 0.00 C ATOM 1225 CD GLU A 78 4.612 -6.466 9.863 1.00 0.00 C ATOM 1226 OE1 GLU A 78 4.417 -7.324 8.998 1.00 0.00 O ATOM 1227 OE2 GLU A 78 5.496 -6.622 10.732 1.00 0.00 O ATOM 0 H GLU A 78 1.654 -5.166 8.146 1.00 0.00 H new ATOM 0 HA GLU A 78 2.046 -7.374 9.826 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.897 -4.407 10.468 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.536 -5.639 11.537 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.668 -4.861 8.829 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.331 -4.422 10.390 1.00 0.00 H new ATOM 1234 N GLU A 79 -0.729 -5.662 10.305 1.00 0.00 N ATOM 1235 CA GLU A 79 -2.059 -5.689 10.894 1.00 0.00 C ATOM 1236 C GLU A 79 -2.897 -6.862 10.384 1.00 0.00 C ATOM 1237 O GLU A 79 -3.858 -7.270 11.025 1.00 0.00 O ATOM 1238 CB GLU A 79 -2.781 -4.364 10.664 1.00 0.00 C ATOM 1239 CG GLU A 79 -2.248 -3.217 11.507 1.00 0.00 C ATOM 1240 CD GLU A 79 -2.311 -3.518 12.987 1.00 0.00 C ATOM 1241 OE1 GLU A 79 -3.393 -3.396 13.594 1.00 0.00 O ATOM 1242 OE2 GLU A 79 -1.283 -3.907 13.575 1.00 0.00 O ATOM 0 H GLU A 79 -0.576 -4.876 9.673 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.930 -5.833 11.967 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.700 -4.096 9.611 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.841 -4.497 10.879 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.216 -3.009 11.224 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.824 -2.316 11.297 1.00 0.00 H new ATOM 1249 N MET A 80 -2.525 -7.403 9.243 1.00 0.00 N ATOM 1250 CA MET A 80 -3.225 -8.546 8.678 1.00 0.00 C ATOM 1251 C MET A 80 -2.536 -9.842 9.070 1.00 0.00 C ATOM 1252 O MET A 80 -2.949 -10.919 8.635 1.00 0.00 O ATOM 1253 CB MET A 80 -3.313 -8.464 7.145 1.00 0.00 C ATOM 1254 CG MET A 80 -4.111 -7.291 6.615 1.00 0.00 C ATOM 1255 SD MET A 80 -4.270 -7.283 4.810 1.00 0.00 S ATOM 1256 CE MET A 80 -5.189 -8.801 4.532 1.00 0.00 C ATOM 0 H MET A 80 -1.739 -7.071 8.684 1.00 0.00 H new ATOM 0 HA MET A 80 -4.237 -8.530 9.082 1.00 0.00 H new ATOM 0 HB2 MET A 80 -2.303 -8.410 6.740 1.00 0.00 H new ATOM 0 HB3 MET A 80 -3.758 -9.386 6.771 1.00 0.00 H new ATOM 0 HG2 MET A 80 -5.106 -7.308 7.060 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.635 -6.364 6.934 1.00 0.00 H new ATOM 0 HE1 MET A 80 -5.546 -8.827 3.503 1.00 0.00 H new ATOM 0 HE2 MET A 80 -4.540 -9.658 4.712 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.040 -8.841 5.212 1.00 0.00 H new ATOM 1266 N ASN A 81 -1.458 -9.726 9.875 1.00 0.00 N ATOM 1267 CA ASN A 81 -0.661 -10.882 10.354 1.00 0.00 C ATOM 1268 C ASN A 81 0.053 -11.561 9.155 1.00 0.00 C ATOM 1269 O ASN A 81 0.472 -12.717 9.187 1.00 0.00 O ATOM 1270 CB ASN A 81 -1.569 -11.859 11.185 1.00 0.00 C ATOM 1271 CG ASN A 81 -0.862 -13.065 11.785 1.00 0.00 C ATOM 1272 OD1 ASN A 81 -0.273 -12.989 12.877 1.00 0.00 O ATOM 1273 ND2 ASN A 81 -1.008 -14.184 11.150 1.00 0.00 N ATOM 0 H ASN A 81 -1.113 -8.828 10.213 1.00 0.00 H new ATOM 0 HA ASN A 81 0.123 -10.547 11.033 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -2.034 -11.294 11.993 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -2.373 -12.215 10.541 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -0.633 -15.047 11.544 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.498 -14.203 10.256 1.00 0.00 H new ATOM 1280 N LEU A 82 0.232 -10.791 8.114 1.00 0.00 N ATOM 1281 CA LEU A 82 0.901 -11.251 6.932 1.00 0.00 C ATOM 1282 C LEU A 82 2.380 -11.039 7.121 1.00 0.00 C ATOM 1283 O LEU A 82 2.824 -9.915 7.246 1.00 0.00 O ATOM 1284 CB LEU A 82 0.403 -10.477 5.693 1.00 0.00 C ATOM 1285 CG LEU A 82 -1.071 -10.677 5.302 1.00 0.00 C ATOM 1286 CD1 LEU A 82 -1.453 -9.786 4.126 1.00 0.00 C ATOM 1287 CD2 LEU A 82 -1.326 -12.120 4.945 1.00 0.00 C ATOM 0 H LEU A 82 -0.085 -9.823 8.065 1.00 0.00 H new ATOM 0 HA LEU A 82 0.689 -12.308 6.771 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.568 -9.414 5.867 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.023 -10.761 4.842 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.684 -10.401 6.160 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.500 -9.949 3.871 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.304 -8.741 4.398 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.829 -10.030 3.267 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.373 -12.247 4.670 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.693 -12.404 4.104 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.096 -12.753 5.802 1.00 0.00 H new ATOM 1299 N THR A 83 3.125 -12.097 7.202 1.00 0.00 N ATOM 1300 CA THR A 83 4.544 -11.998 7.380 1.00 0.00 C ATOM 1301 C THR A 83 5.248 -12.246 6.084 1.00 0.00 C ATOM 1302 O THR A 83 5.974 -11.406 5.611 1.00 0.00 O ATOM 1303 CB THR A 83 5.043 -12.975 8.450 1.00 0.00 C ATOM 1304 OG1 THR A 83 4.236 -14.167 8.440 1.00 0.00 O ATOM 1305 CG2 THR A 83 5.030 -12.350 9.819 1.00 0.00 C ATOM 0 H THR A 83 2.770 -13.052 7.147 1.00 0.00 H new ATOM 0 HA THR A 83 4.768 -10.987 7.719 1.00 0.00 H new ATOM 0 HB THR A 83 6.075 -13.234 8.214 1.00 0.00 H new ATOM 0 HG1 THR A 83 4.561 -14.788 9.125 1.00 0.00 H new ATOM 0 HG21 THR A 83 5.390 -13.072 10.552 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.678 -11.473 9.825 1.00 0.00 H new ATOM 0 HG23 THR A 83 4.013 -12.052 10.073 1.00 0.00 H new ATOM 1313 N GLU A 84 4.927 -13.356 5.480 1.00 0.00 N ATOM 1314 CA GLU A 84 5.545 -13.846 4.255 1.00 0.00 C ATOM 1315 C GLU A 84 5.704 -12.773 3.162 1.00 0.00 C ATOM 1316 O GLU A 84 6.820 -12.312 2.902 1.00 0.00 O ATOM 1317 CB GLU A 84 4.807 -15.092 3.729 1.00 0.00 C ATOM 1318 CG GLU A 84 3.274 -15.047 3.840 1.00 0.00 C ATOM 1319 CD GLU A 84 2.766 -15.418 5.212 1.00 0.00 C ATOM 1320 OE1 GLU A 84 2.698 -16.617 5.519 1.00 0.00 O ATOM 1321 OE2 GLU A 84 2.460 -14.512 6.014 1.00 0.00 O ATOM 0 H GLU A 84 4.199 -13.978 5.833 1.00 0.00 H new ATOM 0 HA GLU A 84 6.562 -14.131 4.523 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.074 -15.237 2.682 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.168 -15.964 4.274 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.927 -14.044 3.590 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.843 -15.726 3.104 1.00 0.00 H new ATOM 1328 N LEU A 85 4.612 -12.338 2.576 1.00 0.00 N ATOM 1329 CA LEU A 85 4.677 -11.338 1.519 1.00 0.00 C ATOM 1330 C LEU A 85 5.027 -9.953 2.067 1.00 0.00 C ATOM 1331 O LEU A 85 5.464 -9.092 1.344 1.00 0.00 O ATOM 1332 CB LEU A 85 3.394 -11.287 0.640 1.00 0.00 C ATOM 1333 CG LEU A 85 2.062 -10.851 1.295 1.00 0.00 C ATOM 1334 CD1 LEU A 85 1.012 -10.617 0.228 1.00 0.00 C ATOM 1335 CD2 LEU A 85 1.545 -11.890 2.280 1.00 0.00 C ATOM 0 H LEU A 85 3.670 -12.655 2.807 1.00 0.00 H new ATOM 0 HA LEU A 85 5.487 -11.656 0.863 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.590 -10.611 -0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.244 -12.280 0.216 1.00 0.00 H new ATOM 0 HG LEU A 85 2.257 -9.929 1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.078 -10.310 0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.351 -9.834 -0.450 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.851 -11.538 -0.332 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.608 -11.543 2.716 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.376 -12.833 1.759 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.280 -12.039 3.071 1.00 0.00 H new ATOM 1347 N CYS A 86 4.881 -9.762 3.348 1.00 0.00 N ATOM 1348 CA CYS A 86 5.207 -8.487 3.952 1.00 0.00 C ATOM 1349 C CYS A 86 6.720 -8.362 4.085 1.00 0.00 C ATOM 1350 O CYS A 86 7.289 -7.300 3.916 1.00 0.00 O ATOM 1351 CB CYS A 86 4.562 -8.382 5.297 1.00 0.00 C ATOM 1352 SG CYS A 86 4.826 -6.818 6.147 1.00 0.00 S ATOM 0 H CYS A 86 4.539 -10.468 4.000 1.00 0.00 H new ATOM 0 HA CYS A 86 4.834 -7.680 3.321 1.00 0.00 H new ATOM 0 HB2 CYS A 86 3.490 -8.539 5.182 1.00 0.00 H new ATOM 0 HB3 CYS A 86 4.937 -9.189 5.927 1.00 0.00 H new ATOM 0 HG CYS A 86 4.355 -6.896 7.356 1.00 0.00 H new ATOM 1358 N LYS A 87 7.369 -9.477 4.330 1.00 0.00 N ATOM 1359 CA LYS A 87 8.814 -9.541 4.425 1.00 0.00 C ATOM 1360 C LYS A 87 9.445 -9.381 3.048 1.00 0.00 C ATOM 1361 O LYS A 87 10.645 -9.161 2.916 1.00 0.00 O ATOM 1362 CB LYS A 87 9.220 -10.841 5.103 1.00 0.00 C ATOM 1363 CG LYS A 87 8.837 -10.872 6.579 1.00 0.00 C ATOM 1364 CD LYS A 87 8.820 -12.280 7.150 1.00 0.00 C ATOM 1365 CE LYS A 87 10.138 -12.979 6.978 1.00 0.00 C ATOM 1366 NZ LYS A 87 10.133 -14.322 7.595 1.00 0.00 N ATOM 0 H LYS A 87 6.907 -10.375 4.471 1.00 0.00 H new ATOM 0 HA LYS A 87 9.183 -8.718 5.037 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.747 -11.678 4.590 1.00 0.00 H new ATOM 0 HB3 LYS A 87 10.297 -10.976 5.007 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.541 -10.263 7.146 1.00 0.00 H new ATOM 0 HG3 LYS A 87 7.852 -10.421 6.704 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.569 -12.237 8.210 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.037 -12.859 6.660 1.00 0.00 H new ATOM 0 HE2 LYS A 87 10.366 -13.068 5.916 1.00 0.00 H new ATOM 0 HE3 LYS A 87 10.929 -12.377 7.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.060 -14.772 7.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 9.941 -14.235 8.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.395 -14.905 7.152 1.00 0.00 H new ATOM 1380 N MET A 88 8.611 -9.473 2.032 1.00 0.00 N ATOM 1381 CA MET A 88 9.007 -9.205 0.678 1.00 0.00 C ATOM 1382 C MET A 88 9.066 -7.689 0.536 1.00 0.00 C ATOM 1383 O MET A 88 9.992 -7.132 -0.024 1.00 0.00 O ATOM 1384 CB MET A 88 7.959 -9.785 -0.267 1.00 0.00 C ATOM 1385 CG MET A 88 8.270 -9.664 -1.740 1.00 0.00 C ATOM 1386 SD MET A 88 6.906 -10.271 -2.763 1.00 0.00 S ATOM 1387 CE MET A 88 7.630 -10.113 -4.383 1.00 0.00 C ATOM 0 H MET A 88 7.631 -9.739 2.132 1.00 0.00 H new ATOM 0 HA MET A 88 9.972 -9.652 0.438 1.00 0.00 H new ATOM 0 HB2 MET A 88 7.824 -10.840 -0.028 1.00 0.00 H new ATOM 0 HB3 MET A 88 7.007 -9.290 -0.073 1.00 0.00 H new ATOM 0 HG2 MET A 88 8.473 -8.621 -1.985 1.00 0.00 H new ATOM 0 HG3 MET A 88 9.175 -10.227 -1.969 1.00 0.00 H new ATOM 0 HE1 MET A 88 6.915 -10.447 -5.135 1.00 0.00 H new ATOM 0 HE2 MET A 88 7.888 -9.070 -4.566 1.00 0.00 H new ATOM 0 HE3 MET A 88 8.530 -10.725 -4.440 1.00 0.00 H new ATOM 1397 N ALA A 89 8.094 -7.029 1.146 1.00 0.00 N ATOM 1398 CA ALA A 89 8.008 -5.574 1.143 1.00 0.00 C ATOM 1399 C ALA A 89 9.124 -4.992 1.987 1.00 0.00 C ATOM 1400 O ALA A 89 9.723 -3.980 1.632 1.00 0.00 O ATOM 1401 CB ALA A 89 6.674 -5.124 1.699 1.00 0.00 C ATOM 0 H ALA A 89 7.340 -7.487 1.659 1.00 0.00 H new ATOM 0 HA ALA A 89 8.103 -5.223 0.116 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.625 -4.035 1.690 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.869 -5.529 1.085 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.566 -5.484 2.722 1.00 0.00 H new ATOM 1407 N LYS A 90 9.410 -5.661 3.097 1.00 0.00 N ATOM 1408 CA LYS A 90 10.477 -5.263 4.015 1.00 0.00 C ATOM 1409 C LYS A 90 11.851 -5.421 3.388 1.00 0.00 C ATOM 1410 O LYS A 90 12.849 -4.921 3.909 1.00 0.00 O ATOM 1411 CB LYS A 90 10.407 -6.046 5.325 1.00 0.00 C ATOM 1412 CG LYS A 90 9.152 -5.782 6.129 1.00 0.00 C ATOM 1413 CD LYS A 90 9.144 -6.566 7.423 1.00 0.00 C ATOM 1414 CE LYS A 90 7.923 -6.224 8.251 1.00 0.00 C ATOM 1415 NZ LYS A 90 7.916 -6.902 9.557 1.00 0.00 N ATOM 0 H LYS A 90 8.908 -6.499 3.390 1.00 0.00 H new ATOM 0 HA LYS A 90 10.323 -4.206 4.233 1.00 0.00 H new ATOM 0 HB2 LYS A 90 10.468 -7.112 5.104 1.00 0.00 H new ATOM 0 HB3 LYS A 90 11.276 -5.796 5.933 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.077 -4.717 6.348 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.277 -6.048 5.536 1.00 0.00 H new ATOM 0 HD2 LYS A 90 9.155 -7.634 7.206 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.048 -6.347 7.992 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.884 -5.146 8.406 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.025 -6.500 7.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.146 -6.520 10.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.772 -7.923 9.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.826 -6.743 10.036 1.00 0.00 H new ATOM 1429 N ALA A 91 11.905 -6.140 2.299 1.00 0.00 N ATOM 1430 CA ALA A 91 13.137 -6.330 1.599 1.00 0.00 C ATOM 1431 C ALA A 91 13.214 -5.432 0.374 1.00 0.00 C ATOM 1432 O ALA A 91 14.280 -4.939 0.017 1.00 0.00 O ATOM 1433 CB ALA A 91 13.317 -7.801 1.234 1.00 0.00 C ATOM 0 H ALA A 91 11.101 -6.605 1.878 1.00 0.00 H new ATOM 0 HA ALA A 91 13.958 -6.045 2.257 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.259 -7.931 0.701 1.00 0.00 H new ATOM 0 HB2 ALA A 91 13.328 -8.403 2.143 1.00 0.00 H new ATOM 0 HB3 ALA A 91 12.493 -8.121 0.597 1.00 0.00 H new ATOM 1439 N GLU A 92 12.086 -5.199 -0.233 1.00 0.00 N ATOM 1440 CA GLU A 92 12.019 -4.443 -1.466 1.00 0.00 C ATOM 1441 C GLU A 92 11.603 -2.992 -1.272 1.00 0.00 C ATOM 1442 O GLU A 92 12.395 -2.084 -1.490 1.00 0.00 O ATOM 1443 CB GLU A 92 11.077 -5.136 -2.427 1.00 0.00 C ATOM 1444 CG GLU A 92 11.562 -6.499 -2.836 1.00 0.00 C ATOM 1445 CD GLU A 92 11.082 -6.959 -4.176 1.00 0.00 C ATOM 1446 OE1 GLU A 92 11.641 -6.496 -5.199 1.00 0.00 O ATOM 1447 OE2 GLU A 92 10.225 -7.860 -4.231 1.00 0.00 O ATOM 0 H GLU A 92 11.182 -5.525 0.108 1.00 0.00 H new ATOM 0 HA GLU A 92 13.029 -4.411 -1.875 1.00 0.00 H new ATOM 0 HB2 GLU A 92 10.095 -5.229 -1.963 1.00 0.00 H new ATOM 0 HB3 GLU A 92 10.952 -4.518 -3.316 1.00 0.00 H new ATOM 0 HG2 GLU A 92 12.652 -6.496 -2.837 1.00 0.00 H new ATOM 0 HG3 GLU A 92 11.246 -7.222 -2.084 1.00 0.00 H new ATOM 1454 N MET A 93 10.361 -2.799 -0.857 1.00 0.00 N ATOM 1455 CA MET A 93 9.756 -1.472 -0.703 1.00 0.00 C ATOM 1456 C MET A 93 10.513 -0.625 0.277 1.00 0.00 C ATOM 1457 O MET A 93 10.971 0.471 -0.046 1.00 0.00 O ATOM 1458 CB MET A 93 8.295 -1.610 -0.275 1.00 0.00 C ATOM 1459 CG MET A 93 7.274 -1.144 -1.302 1.00 0.00 C ATOM 1460 SD MET A 93 6.860 0.624 -1.217 1.00 0.00 S ATOM 1461 CE MET A 93 8.348 1.418 -1.819 1.00 0.00 C ATOM 0 H MET A 93 9.732 -3.564 -0.613 1.00 0.00 H new ATOM 0 HA MET A 93 9.801 -0.970 -1.669 1.00 0.00 H new ATOM 0 HB2 MET A 93 8.099 -2.656 -0.040 1.00 0.00 H new ATOM 0 HB3 MET A 93 8.147 -1.043 0.644 1.00 0.00 H new ATOM 0 HG2 MET A 93 7.655 -1.366 -2.299 1.00 0.00 H new ATOM 0 HG3 MET A 93 6.360 -1.723 -1.174 1.00 0.00 H new ATOM 0 HE1 MET A 93 8.101 2.404 -2.213 1.00 0.00 H new ATOM 0 HE2 MET A 93 9.061 1.523 -1.001 1.00 0.00 H new ATOM 0 HE3 MET A 93 8.790 0.812 -2.610 1.00 0.00 H new