USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 597 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 51 MET CE :methyl -135:sc= -0.0859 (180deg=-0.339) USER MOD Set 1.2: A 53 SER OG : rot -160:sc= 0.0985 USER MOD Set 2.1: A 34 SER OG : rot -61:sc= 1.22 USER MOD Set 2.2: A 37 GLN : amide:sc= 0.446 K(o=1.7,f=-5.3!) USER MOD Single : A 1 GLY N :NH3+ -158:sc= 1.24 (180deg=1.14) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= -1.45 K(o=-1.5,f=-0.69) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0.346 K(o=0.35,f=-4.5!) USER MOD Single : A 11 GLN : amide:sc= -3.26! K(o=-3.3!,f=-0.19) USER MOD Single : A 13 SER OG : rot 103:sc= -0.301 USER MOD Single : A 14 HIS : no HE2:sc= -0.857 X(o=-0.86,f=-0.76) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.502 X(o=-0.5,f=-0.062) USER MOD Single : A 24 TYR OH : rot -149:sc= 0.34 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0175 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 1.09 K(o=1.1,f=-1.3) USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 40 GLN : amide:sc= -0.637 K(o=-0.64,f=-0.014) USER MOD Single : A 44 ASN : amide:sc= -0.0396 K(o=-0.04,f=-1.2) USER MOD Single : A 45 LYS NZ :NH3+ 172:sc= -0.0148 (180deg=-0.116) USER MOD Single : A 47 LYS NZ :NH3+ -148:sc= -0.0501 (180deg=-0.954) USER MOD Single : A 52 THR OG1 : rot -21:sc= 1.17 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 162:sc= -0.0483 (180deg=-0.371) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -124:sc= -0.224 (180deg=-2.04!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl 166:sc= -0.796 (180deg=-1.69!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 164:sc= -0.053 (180deg=-0.412) USER MOD Single : A 70 SER OG : rot 73:sc= 0.0341 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.833 -3.274 -0.740 1.00 0.00 N ATOM 2 CA GLY A 1 18.502 -1.944 -0.265 1.00 0.00 C ATOM 3 C GLY A 1 17.418 -2.004 0.776 1.00 0.00 C ATOM 4 O GLY A 1 17.573 -2.679 1.788 1.00 0.00 O ATOM 0 H1 GLY A 1 19.789 -3.268 -1.150 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.802 -3.944 0.055 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.147 -3.564 -1.465 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.390 -1.471 0.155 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.176 -1.325 -1.101 1.00 0.00 H new ATOM 10 N HIS A 2 16.297 -1.357 0.505 1.00 0.00 N ATOM 11 CA HIS A 2 15.191 -1.277 1.465 1.00 0.00 C ATOM 12 C HIS A 2 13.931 -0.731 0.785 1.00 0.00 C ATOM 13 O HIS A 2 12.940 -0.429 1.443 1.00 0.00 O ATOM 14 CB HIS A 2 15.573 -0.339 2.646 1.00 0.00 C ATOM 15 CG HIS A 2 15.729 1.129 2.275 1.00 0.00 C ATOM 16 ND1 HIS A 2 14.779 2.082 2.545 1.00 0.00 N ATOM 17 CD2 HIS A 2 16.741 1.785 1.650 1.00 0.00 C ATOM 18 CE1 HIS A 2 15.215 3.255 2.095 1.00 0.00 C ATOM 19 NE2 HIS A 2 16.411 3.135 1.538 1.00 0.00 N ATOM 0 H HIS A 2 16.121 -0.874 -0.376 1.00 0.00 H new ATOM 0 HA HIS A 2 14.994 -2.281 1.841 1.00 0.00 H new ATOM 0 HB2 HIS A 2 14.810 -0.424 3.420 1.00 0.00 H new ATOM 0 HB3 HIS A 2 16.509 -0.690 3.081 1.00 0.00 H new ATOM 0 HD2 HIS A 2 17.656 1.333 1.296 1.00 0.00 H new ATOM 0 HE1 HIS A 2 14.667 4.182 2.173 1.00 0.00 H new ATOM 0 HE2 HIS A 2 16.972 3.875 1.116 1.00 0.00 H new ATOM 27 N MET A 3 13.960 -0.641 -0.524 1.00 0.00 N ATOM 28 CA MET A 3 12.902 0.023 -1.250 1.00 0.00 C ATOM 29 C MET A 3 11.743 -0.914 -1.501 1.00 0.00 C ATOM 30 O MET A 3 11.876 -2.117 -1.364 1.00 0.00 O ATOM 31 CB MET A 3 13.428 0.616 -2.539 1.00 0.00 C ATOM 32 CG MET A 3 14.551 1.620 -2.341 1.00 0.00 C ATOM 33 SD MET A 3 15.185 2.273 -3.896 1.00 0.00 S ATOM 34 CE MET A 3 16.521 3.304 -3.290 1.00 0.00 C ATOM 0 H MET A 3 14.705 -1.019 -1.109 1.00 0.00 H new ATOM 0 HA MET A 3 12.529 0.843 -0.636 1.00 0.00 H new ATOM 0 HB2 MET A 3 13.784 -0.191 -3.180 1.00 0.00 H new ATOM 0 HB3 MET A 3 12.607 1.103 -3.065 1.00 0.00 H new ATOM 0 HG2 MET A 3 14.191 2.445 -1.726 1.00 0.00 H new ATOM 0 HG3 MET A 3 15.365 1.145 -1.793 1.00 0.00 H new ATOM 0 HE1 MET A 3 17.020 3.784 -4.131 1.00 0.00 H new ATOM 0 HE2 MET A 3 16.118 4.067 -2.624 1.00 0.00 H new ATOM 0 HE3 MET A 3 17.238 2.689 -2.746 1.00 0.00 H new ATOM 44 N VAL A 4 10.633 -0.368 -1.941 1.00 0.00 N ATOM 45 CA VAL A 4 9.383 -1.116 -2.003 1.00 0.00 C ATOM 46 C VAL A 4 9.396 -2.240 -3.027 1.00 0.00 C ATOM 47 O VAL A 4 8.775 -3.265 -2.828 1.00 0.00 O ATOM 48 CB VAL A 4 8.163 -0.197 -2.218 1.00 0.00 C ATOM 49 CG1 VAL A 4 8.247 0.967 -1.298 1.00 0.00 C ATOM 50 CG2 VAL A 4 8.046 0.283 -3.627 1.00 0.00 C ATOM 0 H VAL A 4 10.563 0.597 -2.265 1.00 0.00 H new ATOM 0 HA VAL A 4 9.288 -1.586 -1.024 1.00 0.00 H new ATOM 0 HB VAL A 4 7.272 -0.787 -2.003 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.384 1.615 -1.451 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.258 0.615 -0.266 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.161 1.526 -1.500 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.170 0.925 -3.721 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.940 0.846 -3.895 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.942 -0.572 -4.295 1.00 0.00 H new ATOM 60 N HIS A 5 10.156 -2.073 -4.085 1.00 0.00 N ATOM 61 CA HIS A 5 10.257 -3.089 -5.134 1.00 0.00 C ATOM 62 C HIS A 5 11.077 -4.296 -4.649 1.00 0.00 C ATOM 63 O HIS A 5 11.221 -5.295 -5.348 1.00 0.00 O ATOM 64 CB HIS A 5 10.853 -2.486 -6.425 1.00 0.00 C ATOM 65 CG HIS A 5 12.138 -1.746 -6.221 1.00 0.00 C ATOM 66 ND1 HIS A 5 12.192 -0.408 -5.937 1.00 0.00 N ATOM 67 CD2 HIS A 5 13.419 -2.182 -6.217 1.00 0.00 C ATOM 68 CE1 HIS A 5 13.449 -0.069 -5.759 1.00 0.00 C ATOM 69 NE2 HIS A 5 14.256 -1.110 -5.921 1.00 0.00 N ATOM 0 H HIS A 5 10.721 -1.240 -4.252 1.00 0.00 H new ATOM 0 HA HIS A 5 9.252 -3.443 -5.366 1.00 0.00 H new ATOM 0 HB2 HIS A 5 11.019 -3.288 -7.144 1.00 0.00 H new ATOM 0 HB3 HIS A 5 10.123 -1.808 -6.867 1.00 0.00 H new ATOM 0 HD2 HIS A 5 13.739 -3.195 -6.411 1.00 0.00 H new ATOM 0 HE1 HIS A 5 13.782 0.928 -5.513 1.00 0.00 H new ATOM 0 HE2 HIS A 5 15.273 -1.122 -5.845 1.00 0.00 H new ATOM 77 N GLU A 6 11.611 -4.174 -3.451 1.00 0.00 N ATOM 78 CA GLU A 6 12.381 -5.219 -2.813 1.00 0.00 C ATOM 79 C GLU A 6 11.521 -5.902 -1.748 1.00 0.00 C ATOM 80 O GLU A 6 11.949 -6.856 -1.091 1.00 0.00 O ATOM 81 CB GLU A 6 13.601 -4.610 -2.142 1.00 0.00 C ATOM 82 CG GLU A 6 14.479 -3.791 -3.065 1.00 0.00 C ATOM 83 CD GLU A 6 15.627 -3.167 -2.338 1.00 0.00 C ATOM 84 OE1 GLU A 6 16.526 -3.906 -1.893 1.00 0.00 O ATOM 85 OE2 GLU A 6 15.651 -1.921 -2.176 1.00 0.00 O ATOM 0 H GLU A 6 11.520 -3.331 -2.885 1.00 0.00 H new ATOM 0 HA GLU A 6 12.695 -5.946 -3.562 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.270 -3.977 -1.319 1.00 0.00 H new ATOM 0 HB3 GLU A 6 14.199 -5.411 -1.707 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.859 -4.428 -3.864 1.00 0.00 H new ATOM 0 HG3 GLU A 6 13.881 -3.011 -3.536 1.00 0.00 H new ATOM 92 N TRP A 7 10.312 -5.405 -1.576 1.00 0.00 N ATOM 93 CA TRP A 7 9.413 -5.917 -0.572 1.00 0.00 C ATOM 94 C TRP A 7 8.680 -7.136 -1.064 1.00 0.00 C ATOM 95 O TRP A 7 8.203 -7.160 -2.187 1.00 0.00 O ATOM 96 CB TRP A 7 8.436 -4.848 -0.102 1.00 0.00 C ATOM 97 CG TRP A 7 9.087 -3.692 0.605 1.00 0.00 C ATOM 98 CD1 TRP A 7 10.384 -3.597 1.037 1.00 0.00 C ATOM 99 CD2 TRP A 7 8.456 -2.487 0.996 1.00 0.00 C ATOM 100 NE1 TRP A 7 10.586 -2.396 1.647 1.00 0.00 N ATOM 101 CE2 TRP A 7 9.421 -1.699 1.644 1.00 0.00 C ATOM 102 CE3 TRP A 7 7.170 -1.993 0.855 1.00 0.00 C ATOM 103 CZ2 TRP A 7 9.132 -0.448 2.154 1.00 0.00 C ATOM 104 CZ3 TRP A 7 6.882 -0.753 1.361 1.00 0.00 C ATOM 105 CH2 TRP A 7 7.858 0.008 2.006 1.00 0.00 C ATOM 0 H TRP A 7 9.930 -4.637 -2.129 1.00 0.00 H new ATOM 0 HA TRP A 7 10.018 -6.213 0.285 1.00 0.00 H new ATOM 0 HB2 TRP A 7 7.885 -4.470 -0.963 1.00 0.00 H new ATOM 0 HB3 TRP A 7 7.707 -5.306 0.567 1.00 0.00 H new ATOM 0 HD1 TRP A 7 11.136 -4.362 0.912 1.00 0.00 H new ATOM 0 HE1 TRP A 7 11.469 -2.073 2.042 1.00 0.00 H new ATOM 0 HE3 TRP A 7 6.409 -2.574 0.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 9.887 0.144 2.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 5.882 -0.357 1.259 1.00 0.00 H new ATOM 0 HH2 TRP A 7 7.597 0.980 2.396 1.00 0.00 H new ATOM 116 N SER A 8 8.575 -8.129 -0.205 1.00 0.00 N ATOM 117 CA SER A 8 7.977 -9.380 -0.565 1.00 0.00 C ATOM 118 C SER A 8 6.488 -9.346 -0.267 1.00 0.00 C ATOM 119 O SER A 8 5.661 -9.250 -1.166 1.00 0.00 O ATOM 120 CB SER A 8 8.653 -10.482 0.247 1.00 0.00 C ATOM 121 OG SER A 8 10.048 -10.291 0.236 1.00 0.00 O ATOM 0 H SER A 8 8.904 -8.083 0.759 1.00 0.00 H new ATOM 0 HA SER A 8 8.108 -9.569 -1.630 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.283 -10.471 1.272 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.406 -11.458 -0.171 1.00 0.00 H new ATOM 0 HG SER A 8 10.479 -10.999 0.759 1.00 0.00 H new ATOM 127 N VAL A 9 6.163 -9.402 1.006 1.00 0.00 N ATOM 128 CA VAL A 9 4.799 -9.392 1.471 1.00 0.00 C ATOM 129 C VAL A 9 4.736 -8.598 2.766 1.00 0.00 C ATOM 130 O VAL A 9 4.226 -7.513 2.797 1.00 0.00 O ATOM 131 CB VAL A 9 4.258 -10.848 1.720 1.00 0.00 C ATOM 132 CG1 VAL A 9 2.905 -10.810 2.373 1.00 0.00 C ATOM 133 CG2 VAL A 9 4.162 -11.648 0.426 1.00 0.00 C ATOM 0 H VAL A 9 6.852 -9.457 1.756 1.00 0.00 H new ATOM 0 HA VAL A 9 4.173 -8.935 0.705 1.00 0.00 H new ATOM 0 HB VAL A 9 4.972 -11.339 2.381 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.551 -11.828 2.536 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.977 -10.294 3.330 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.204 -10.281 1.727 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.784 -12.647 0.643 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.483 -11.145 -0.263 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.150 -11.724 -0.029 1.00 0.00 H new ATOM 143 N GLN A 10 5.370 -9.113 3.796 1.00 0.00 N ATOM 144 CA GLN A 10 5.327 -8.511 5.131 1.00 0.00 C ATOM 145 C GLN A 10 6.032 -7.151 5.180 1.00 0.00 C ATOM 146 O GLN A 10 5.810 -6.356 6.081 1.00 0.00 O ATOM 147 CB GLN A 10 5.890 -9.483 6.197 1.00 0.00 C ATOM 148 CG GLN A 10 7.407 -9.747 6.175 1.00 0.00 C ATOM 149 CD GLN A 10 7.941 -10.323 4.871 1.00 0.00 C ATOM 150 OE1 GLN A 10 7.244 -11.020 4.131 1.00 0.00 O ATOM 151 NE2 GLN A 10 9.164 -10.031 4.579 1.00 0.00 N ATOM 0 H GLN A 10 5.933 -9.962 3.742 1.00 0.00 H new ATOM 0 HA GLN A 10 4.279 -8.325 5.366 1.00 0.00 H new ATOM 0 HB2 GLN A 10 5.629 -9.094 7.181 1.00 0.00 H new ATOM 0 HB3 GLN A 10 5.379 -10.439 6.086 1.00 0.00 H new ATOM 0 HG2 GLN A 10 7.926 -8.811 6.381 1.00 0.00 H new ATOM 0 HG3 GLN A 10 7.653 -10.433 6.985 1.00 0.00 H new ATOM 0 HE21 GLN A 10 9.715 -9.452 5.212 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.579 -10.380 3.715 1.00 0.00 H new ATOM 160 N GLN A 11 6.865 -6.884 4.188 1.00 0.00 N ATOM 161 CA GLN A 11 7.547 -5.621 4.126 1.00 0.00 C ATOM 162 C GLN A 11 6.659 -4.518 3.542 1.00 0.00 C ATOM 163 O GLN A 11 6.908 -3.344 3.767 1.00 0.00 O ATOM 164 CB GLN A 11 8.889 -5.737 3.396 1.00 0.00 C ATOM 165 CG GLN A 11 9.938 -6.506 4.187 1.00 0.00 C ATOM 166 CD GLN A 11 11.323 -6.527 3.550 1.00 0.00 C ATOM 167 OE1 GLN A 11 12.331 -6.558 4.248 1.00 0.00 O ATOM 168 NE2 GLN A 11 11.390 -6.544 2.257 1.00 0.00 N ATOM 0 H GLN A 11 7.078 -7.525 3.424 1.00 0.00 H new ATOM 0 HA GLN A 11 7.772 -5.326 5.151 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.732 -6.231 2.437 1.00 0.00 H new ATOM 0 HB3 GLN A 11 9.266 -4.737 3.181 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.017 -6.069 5.182 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.596 -7.533 4.316 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.535 -6.517 1.702 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.298 -6.584 1.794 1.00 0.00 H new ATOM 177 N VAL A 12 5.578 -4.902 2.854 1.00 0.00 N ATOM 178 CA VAL A 12 4.658 -3.920 2.242 1.00 0.00 C ATOM 179 C VAL A 12 3.892 -3.176 3.349 1.00 0.00 C ATOM 180 O VAL A 12 3.474 -2.015 3.193 1.00 0.00 O ATOM 181 CB VAL A 12 3.649 -4.613 1.251 1.00 0.00 C ATOM 182 CG1 VAL A 12 2.437 -5.230 1.952 1.00 0.00 C ATOM 183 CG2 VAL A 12 3.230 -3.678 0.141 1.00 0.00 C ATOM 0 H VAL A 12 5.315 -5.876 2.704 1.00 0.00 H new ATOM 0 HA VAL A 12 5.249 -3.209 1.664 1.00 0.00 H new ATOM 0 HB VAL A 12 4.193 -5.445 0.804 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.783 -5.690 1.211 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.773 -5.988 2.660 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.890 -4.452 2.485 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.534 -4.190 -0.523 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.745 -2.800 0.568 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.109 -3.367 -0.424 1.00 0.00 H new ATOM 193 N SER A 13 3.781 -3.840 4.480 1.00 0.00 N ATOM 194 CA SER A 13 3.057 -3.359 5.605 1.00 0.00 C ATOM 195 C SER A 13 3.772 -2.179 6.268 1.00 0.00 C ATOM 196 O SER A 13 3.124 -1.335 6.893 1.00 0.00 O ATOM 197 CB SER A 13 2.884 -4.526 6.563 1.00 0.00 C ATOM 198 OG SER A 13 2.758 -5.719 5.788 1.00 0.00 O ATOM 0 H SER A 13 4.209 -4.753 4.632 1.00 0.00 H new ATOM 0 HA SER A 13 2.082 -2.980 5.297 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.739 -4.597 7.235 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.001 -4.381 7.185 1.00 0.00 H new ATOM 0 HG SER A 13 3.605 -6.211 5.805 1.00 0.00 H new ATOM 204 N HIS A 14 5.099 -2.081 6.075 1.00 0.00 N ATOM 205 CA HIS A 14 5.881 -1.003 6.689 1.00 0.00 C ATOM 206 C HIS A 14 5.411 0.341 6.180 1.00 0.00 C ATOM 207 O HIS A 14 5.298 1.297 6.953 1.00 0.00 O ATOM 208 CB HIS A 14 7.398 -1.156 6.471 1.00 0.00 C ATOM 209 CG HIS A 14 7.996 -2.440 6.991 1.00 0.00 C ATOM 210 ND1 HIS A 14 7.742 -2.970 8.241 1.00 0.00 N ATOM 211 CD2 HIS A 14 8.827 -3.319 6.381 1.00 0.00 C ATOM 212 CE1 HIS A 14 8.407 -4.127 8.343 1.00 0.00 C ATOM 213 NE2 HIS A 14 9.085 -4.385 7.237 1.00 0.00 N ATOM 0 H HIS A 14 5.644 -2.728 5.505 1.00 0.00 H new ATOM 0 HA HIS A 14 5.712 -1.068 7.764 1.00 0.00 H new ATOM 0 HB2 HIS A 14 7.604 -1.084 5.403 1.00 0.00 H new ATOM 0 HB3 HIS A 14 7.904 -0.318 6.950 1.00 0.00 H new ATOM 0 HD1 HIS A 14 7.151 -2.553 8.960 1.00 0.00 H new ATOM 0 HD2 HIS A 14 9.227 -3.209 5.384 1.00 0.00 H new ATOM 0 HE1 HIS A 14 8.392 -4.766 9.214 1.00 0.00 H new ATOM 221 N TRP A 15 5.098 0.392 4.893 1.00 0.00 N ATOM 222 CA TRP A 15 4.561 1.581 4.283 1.00 0.00 C ATOM 223 C TRP A 15 3.169 1.850 4.819 1.00 0.00 C ATOM 224 O TRP A 15 2.955 2.874 5.433 1.00 0.00 O ATOM 225 CB TRP A 15 4.571 1.464 2.742 1.00 0.00 C ATOM 226 CG TRP A 15 3.699 2.460 2.015 1.00 0.00 C ATOM 227 CD1 TRP A 15 3.908 3.802 1.838 1.00 0.00 C ATOM 228 CD2 TRP A 15 2.476 2.155 1.350 1.00 0.00 C ATOM 229 NE1 TRP A 15 2.857 4.344 1.123 1.00 0.00 N ATOM 230 CE2 TRP A 15 1.972 3.347 0.811 1.00 0.00 C ATOM 231 CE3 TRP A 15 1.755 0.982 1.170 1.00 0.00 C ATOM 232 CZ2 TRP A 15 0.771 3.386 0.104 1.00 0.00 C ATOM 233 CZ3 TRP A 15 0.580 1.033 0.463 1.00 0.00 C ATOM 234 CH2 TRP A 15 0.105 2.218 -0.050 1.00 0.00 C ATOM 0 H TRP A 15 5.212 -0.392 4.251 1.00 0.00 H new ATOM 0 HA TRP A 15 5.194 2.430 4.541 1.00 0.00 H new ATOM 0 HB2 TRP A 15 5.597 1.580 2.392 1.00 0.00 H new ATOM 0 HB3 TRP A 15 4.252 0.458 2.468 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.763 4.352 2.202 1.00 0.00 H new ATOM 0 HE1 TRP A 15 2.757 5.327 0.869 1.00 0.00 H new ATOM 0 HE3 TRP A 15 2.112 0.048 1.578 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 0.388 4.310 -0.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 0.017 0.125 0.306 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -0.829 2.216 -0.593 1.00 0.00 H new ATOM 245 N LEU A 16 2.258 0.875 4.644 1.00 0.00 N ATOM 246 CA LEU A 16 0.835 0.982 5.051 1.00 0.00 C ATOM 247 C LEU A 16 0.673 1.520 6.458 1.00 0.00 C ATOM 248 O LEU A 16 -0.066 2.478 6.684 1.00 0.00 O ATOM 249 CB LEU A 16 0.172 -0.381 4.967 1.00 0.00 C ATOM 250 CG LEU A 16 -0.046 -0.953 3.566 1.00 0.00 C ATOM 251 CD1 LEU A 16 -0.280 -2.435 3.637 1.00 0.00 C ATOM 252 CD2 LEU A 16 -1.251 -0.307 2.916 1.00 0.00 C ATOM 0 H LEU A 16 2.486 -0.020 4.212 1.00 0.00 H new ATOM 0 HA LEU A 16 0.360 1.685 4.366 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.777 -1.089 5.533 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.796 -0.320 5.464 1.00 0.00 H new ATOM 0 HG LEU A 16 0.847 -0.748 2.976 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.434 -2.828 2.632 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.587 -2.919 4.087 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.163 -2.635 4.244 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.394 -0.724 1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.137 -0.500 3.520 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.090 0.768 2.840 1.00 0.00 H new ATOM 264 N VAL A 17 1.390 0.935 7.387 1.00 0.00 N ATOM 265 CA VAL A 17 1.321 1.323 8.789 1.00 0.00 C ATOM 266 C VAL A 17 1.757 2.799 8.992 1.00 0.00 C ATOM 267 O VAL A 17 1.251 3.490 9.881 1.00 0.00 O ATOM 268 CB VAL A 17 2.180 0.356 9.660 1.00 0.00 C ATOM 269 CG1 VAL A 17 2.240 0.787 11.111 1.00 0.00 C ATOM 270 CG2 VAL A 17 1.653 -1.070 9.579 1.00 0.00 C ATOM 0 H VAL A 17 2.042 0.173 7.199 1.00 0.00 H new ATOM 0 HA VAL A 17 0.283 1.247 9.112 1.00 0.00 H new ATOM 0 HB VAL A 17 3.190 0.394 9.252 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.850 0.081 11.675 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.681 1.782 11.177 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.232 0.809 11.526 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.271 -1.722 10.196 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.624 -1.099 9.938 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.686 -1.412 8.544 1.00 0.00 H new ATOM 280 N GLY A 18 2.591 3.293 8.093 1.00 0.00 N ATOM 281 CA GLY A 18 3.117 4.635 8.203 1.00 0.00 C ATOM 282 C GLY A 18 2.087 5.684 7.844 1.00 0.00 C ATOM 283 O GLY A 18 2.159 6.826 8.302 1.00 0.00 O ATOM 0 H GLY A 18 2.918 2.778 7.275 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.466 4.804 9.222 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.982 4.739 7.548 1.00 0.00 H new ATOM 287 N LEU A 19 1.126 5.312 7.018 1.00 0.00 N ATOM 288 CA LEU A 19 0.063 6.236 6.649 1.00 0.00 C ATOM 289 C LEU A 19 -1.241 5.887 7.348 1.00 0.00 C ATOM 290 O LEU A 19 -2.295 6.408 6.993 1.00 0.00 O ATOM 291 CB LEU A 19 -0.150 6.344 5.116 1.00 0.00 C ATOM 292 CG LEU A 19 -0.380 5.055 4.333 1.00 0.00 C ATOM 293 CD1 LEU A 19 -1.139 5.325 3.067 1.00 0.00 C ATOM 294 CD2 LEU A 19 0.919 4.433 3.966 1.00 0.00 C ATOM 0 H LEU A 19 1.057 4.388 6.593 1.00 0.00 H new ATOM 0 HA LEU A 19 0.391 7.218 6.989 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.005 6.997 4.943 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.722 6.841 4.692 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.954 4.384 4.972 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.290 4.390 2.527 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.107 5.764 3.310 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.572 6.017 2.444 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.738 3.514 3.408 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.492 5.125 3.349 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.481 4.203 4.871 1.00 0.00 H new ATOM 306 N SER A 20 -1.148 5.021 8.362 1.00 0.00 N ATOM 307 CA SER A 20 -2.305 4.563 9.156 1.00 0.00 C ATOM 308 C SER A 20 -3.215 3.635 8.344 1.00 0.00 C ATOM 309 O SER A 20 -4.346 3.381 8.695 1.00 0.00 O ATOM 310 CB SER A 20 -3.074 5.754 9.757 1.00 0.00 C ATOM 311 OG SER A 20 -2.186 6.604 10.487 1.00 0.00 O ATOM 0 H SER A 20 -0.263 4.612 8.661 1.00 0.00 H new ATOM 0 HA SER A 20 -1.924 3.974 9.990 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.558 6.321 8.962 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.863 5.391 10.415 1.00 0.00 H new ATOM 0 HG SER A 20 -2.688 7.357 10.862 1.00 0.00 H new ATOM 317 N LEU A 21 -2.649 3.062 7.320 1.00 0.00 N ATOM 318 CA LEU A 21 -3.326 2.121 6.435 1.00 0.00 C ATOM 319 C LEU A 21 -2.968 0.714 6.848 1.00 0.00 C ATOM 320 O LEU A 21 -3.110 -0.223 6.082 1.00 0.00 O ATOM 321 CB LEU A 21 -2.895 2.358 4.988 1.00 0.00 C ATOM 322 CG LEU A 21 -3.690 3.367 4.127 1.00 0.00 C ATOM 323 CD1 LEU A 21 -4.924 2.730 3.586 1.00 0.00 C ATOM 324 CD2 LEU A 21 -4.073 4.618 4.899 1.00 0.00 C ATOM 0 H LEU A 21 -1.678 3.233 7.060 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.404 2.266 6.508 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.855 2.685 5.003 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.919 1.396 4.475 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.032 3.665 3.311 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.472 3.453 2.982 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.651 1.875 2.968 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.553 2.396 4.411 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.629 5.292 4.247 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.694 4.343 5.752 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.171 5.118 5.253 1.00 0.00 H new ATOM 336 N ASP A 22 -2.503 0.575 8.090 1.00 0.00 N ATOM 337 CA ASP A 22 -2.180 -0.726 8.705 1.00 0.00 C ATOM 338 C ASP A 22 -3.361 -1.693 8.604 1.00 0.00 C ATOM 339 O ASP A 22 -3.188 -2.903 8.576 1.00 0.00 O ATOM 340 CB ASP A 22 -1.815 -0.547 10.191 1.00 0.00 C ATOM 341 CG ASP A 22 -2.994 -0.125 11.043 1.00 0.00 C ATOM 342 OD1 ASP A 22 -3.336 1.078 11.049 1.00 0.00 O ATOM 343 OD2 ASP A 22 -3.621 -1.002 11.683 1.00 0.00 O ATOM 0 H ASP A 22 -2.336 1.368 8.710 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.330 -1.139 8.162 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.412 -1.484 10.576 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.025 0.199 10.278 1.00 0.00 H new ATOM 348 N GLN A 23 -4.540 -1.143 8.515 1.00 0.00 N ATOM 349 CA GLN A 23 -5.766 -1.898 8.420 1.00 0.00 C ATOM 350 C GLN A 23 -5.865 -2.611 7.051 1.00 0.00 C ATOM 351 O GLN A 23 -6.604 -3.577 6.895 1.00 0.00 O ATOM 352 CB GLN A 23 -6.926 -0.939 8.631 1.00 0.00 C ATOM 353 CG GLN A 23 -7.150 0.036 7.488 1.00 0.00 C ATOM 354 CD GLN A 23 -7.645 1.368 7.961 1.00 0.00 C ATOM 355 OE1 GLN A 23 -8.834 1.562 8.165 1.00 0.00 O ATOM 356 NE2 GLN A 23 -6.765 2.318 8.042 1.00 0.00 N ATOM 0 H GLN A 23 -4.682 -0.133 8.506 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.791 -2.676 9.183 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.837 -1.518 8.782 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.752 -0.373 9.546 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.217 0.172 6.942 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.870 -0.388 6.788 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -5.781 2.118 7.865 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.058 3.265 8.283 1.00 0.00 H new ATOM 365 N TYR A 24 -5.084 -2.142 6.087 1.00 0.00 N ATOM 366 CA TYR A 24 -5.061 -2.712 4.752 1.00 0.00 C ATOM 367 C TYR A 24 -4.096 -3.879 4.689 1.00 0.00 C ATOM 368 O TYR A 24 -4.232 -4.752 3.830 1.00 0.00 O ATOM 369 CB TYR A 24 -4.675 -1.656 3.706 1.00 0.00 C ATOM 370 CG TYR A 24 -5.817 -1.137 2.853 1.00 0.00 C ATOM 371 CD1 TYR A 24 -6.772 -0.267 3.353 1.00 0.00 C ATOM 372 CD2 TYR A 24 -5.921 -1.521 1.531 1.00 0.00 C ATOM 373 CE1 TYR A 24 -7.799 0.201 2.543 1.00 0.00 C ATOM 374 CE2 TYR A 24 -6.932 -1.061 0.716 1.00 0.00 C ATOM 375 CZ TYR A 24 -7.867 -0.202 1.218 1.00 0.00 C ATOM 376 OH TYR A 24 -8.891 0.247 0.393 1.00 0.00 O ATOM 0 H TYR A 24 -4.448 -1.354 6.212 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.065 -3.069 4.525 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.215 -0.812 4.220 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.917 -2.081 3.048 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.718 0.051 4.384 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.188 -2.202 1.124 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.541 0.876 2.944 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -6.985 -1.378 -0.315 1.00 0.00 H new ATOM 0 HH TYR A 24 -9.096 -0.439 -0.276 1.00 0.00 H new ATOM 386 N VAL A 25 -3.141 -3.904 5.627 1.00 0.00 N ATOM 387 CA VAL A 25 -2.108 -4.971 5.703 1.00 0.00 C ATOM 388 C VAL A 25 -2.748 -6.352 5.757 1.00 0.00 C ATOM 389 O VAL A 25 -2.281 -7.283 5.098 1.00 0.00 O ATOM 390 CB VAL A 25 -1.142 -4.806 6.932 1.00 0.00 C ATOM 391 CG1 VAL A 25 -0.151 -5.944 7.016 1.00 0.00 C ATOM 392 CG2 VAL A 25 -0.429 -3.475 6.883 1.00 0.00 C ATOM 0 H VAL A 25 -3.054 -3.195 6.355 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.515 -4.871 4.794 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.752 -4.833 7.835 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.500 -5.796 7.877 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.688 -6.887 7.124 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.450 -5.971 6.107 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.233 -3.385 7.744 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.157 -3.410 5.966 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.162 -2.669 6.903 1.00 0.00 H new ATOM 402 N SER A 26 -3.856 -6.439 6.471 1.00 0.00 N ATOM 403 CA SER A 26 -4.586 -7.669 6.688 1.00 0.00 C ATOM 404 C SER A 26 -4.910 -8.402 5.362 1.00 0.00 C ATOM 405 O SER A 26 -4.912 -9.641 5.308 1.00 0.00 O ATOM 406 CB SER A 26 -5.856 -7.328 7.454 1.00 0.00 C ATOM 407 OG SER A 26 -5.544 -6.529 8.604 1.00 0.00 O ATOM 0 H SER A 26 -4.282 -5.632 6.927 1.00 0.00 H new ATOM 0 HA SER A 26 -3.968 -8.358 7.264 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.547 -6.790 6.805 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.359 -8.244 7.765 1.00 0.00 H new ATOM 0 HG SER A 26 -6.369 -6.315 9.087 1.00 0.00 H new ATOM 413 N GLU A 27 -5.137 -7.646 4.299 1.00 0.00 N ATOM 414 CA GLU A 27 -5.429 -8.233 3.012 1.00 0.00 C ATOM 415 C GLU A 27 -4.273 -7.985 2.022 1.00 0.00 C ATOM 416 O GLU A 27 -4.038 -8.788 1.135 1.00 0.00 O ATOM 417 CB GLU A 27 -6.777 -7.734 2.490 1.00 0.00 C ATOM 418 CG GLU A 27 -7.230 -8.324 1.153 1.00 0.00 C ATOM 419 CD GLU A 27 -7.431 -9.831 1.129 1.00 0.00 C ATOM 420 OE1 GLU A 27 -7.593 -10.468 2.199 1.00 0.00 O ATOM 421 OE2 GLU A 27 -7.477 -10.393 0.015 1.00 0.00 O ATOM 0 H GLU A 27 -5.123 -6.626 4.308 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.514 -9.314 3.124 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.539 -7.951 3.239 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.728 -6.650 2.390 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.167 -7.847 0.866 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.493 -8.063 0.394 1.00 0.00 H new ATOM 428 N PHE A 28 -3.519 -6.892 2.209 1.00 0.00 N ATOM 429 CA PHE A 28 -2.318 -6.612 1.382 1.00 0.00 C ATOM 430 C PHE A 28 -1.343 -7.781 1.471 1.00 0.00 C ATOM 431 O PHE A 28 -0.824 -8.270 0.464 1.00 0.00 O ATOM 432 CB PHE A 28 -1.623 -5.327 1.857 1.00 0.00 C ATOM 433 CG PHE A 28 -1.777 -4.135 0.942 1.00 0.00 C ATOM 434 CD1 PHE A 28 -3.022 -3.630 0.632 1.00 0.00 C ATOM 435 CD2 PHE A 28 -0.661 -3.524 0.386 1.00 0.00 C ATOM 436 CE1 PHE A 28 -3.151 -2.536 -0.208 1.00 0.00 C ATOM 437 CE2 PHE A 28 -0.791 -2.432 -0.446 1.00 0.00 C ATOM 438 CZ PHE A 28 -2.040 -1.945 -0.744 1.00 0.00 C ATOM 0 H PHE A 28 -3.711 -6.186 2.920 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.635 -6.479 0.348 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.015 -5.063 2.839 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.560 -5.533 1.982 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.905 -4.092 1.048 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.323 -3.910 0.608 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.132 -2.149 -0.440 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.087 -1.961 -0.862 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.145 -1.095 -1.402 1.00 0.00 H new ATOM 448 N SER A 29 -1.192 -8.279 2.676 1.00 0.00 N ATOM 449 CA SER A 29 -0.310 -9.376 2.974 1.00 0.00 C ATOM 450 C SER A 29 -0.925 -10.696 2.445 1.00 0.00 C ATOM 451 O SER A 29 -0.221 -11.659 2.141 1.00 0.00 O ATOM 452 CB SER A 29 -0.084 -9.421 4.511 1.00 0.00 C ATOM 453 OG SER A 29 0.859 -10.404 4.915 1.00 0.00 O ATOM 0 H SER A 29 -1.691 -7.923 3.492 1.00 0.00 H new ATOM 0 HA SER A 29 0.654 -9.244 2.483 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.255 -8.442 4.849 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.036 -9.617 5.005 1.00 0.00 H new ATOM 0 HG SER A 29 0.958 -10.381 5.890 1.00 0.00 H new ATOM 459 N ALA A 30 -2.230 -10.697 2.250 1.00 0.00 N ATOM 460 CA ALA A 30 -2.925 -11.880 1.825 1.00 0.00 C ATOM 461 C ALA A 30 -2.808 -12.066 0.335 1.00 0.00 C ATOM 462 O ALA A 30 -2.585 -13.167 -0.136 1.00 0.00 O ATOM 463 CB ALA A 30 -4.373 -11.829 2.243 1.00 0.00 C ATOM 0 H ALA A 30 -2.827 -9.881 2.383 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.459 -12.737 2.311 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.880 -12.735 1.911 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.436 -11.756 3.329 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.851 -10.960 1.792 1.00 0.00 H new ATOM 469 N GLN A 31 -2.894 -10.979 -0.413 1.00 0.00 N ATOM 470 CA GLN A 31 -2.839 -11.098 -1.880 1.00 0.00 C ATOM 471 C GLN A 31 -1.414 -11.065 -2.349 1.00 0.00 C ATOM 472 O GLN A 31 -1.155 -11.100 -3.554 1.00 0.00 O ATOM 473 CB GLN A 31 -3.627 -10.006 -2.607 1.00 0.00 C ATOM 474 CG GLN A 31 -4.748 -9.426 -1.810 1.00 0.00 C ATOM 475 CD GLN A 31 -5.786 -8.706 -2.651 1.00 0.00 C ATOM 476 OE1 GLN A 31 -5.487 -8.121 -3.700 1.00 0.00 O ATOM 477 NE2 GLN A 31 -7.018 -8.776 -2.225 1.00 0.00 N ATOM 0 H GLN A 31 -2.999 -10.030 -0.055 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.304 -12.053 -2.124 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -2.943 -9.205 -2.887 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.029 -10.419 -3.532 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.236 -10.225 -1.252 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.339 -8.729 -1.078 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.230 -9.266 -1.356 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.769 -8.341 -2.761 1.00 0.00 H new ATOM 486 N ASN A 32 -0.489 -10.991 -1.377 1.00 0.00 N ATOM 487 CA ASN A 32 0.941 -10.962 -1.625 1.00 0.00 C ATOM 488 C ASN A 32 1.302 -9.704 -2.360 1.00 0.00 C ATOM 489 O ASN A 32 2.234 -9.681 -3.182 1.00 0.00 O ATOM 490 CB ASN A 32 1.402 -12.221 -2.382 1.00 0.00 C ATOM 491 CG ASN A 32 1.131 -13.495 -1.602 1.00 0.00 C ATOM 492 OD1 ASN A 32 1.959 -13.947 -0.817 1.00 0.00 O ATOM 493 ND2 ASN A 32 -0.006 -14.090 -1.817 1.00 0.00 N ATOM 0 H ASN A 32 -0.729 -10.950 -0.387 1.00 0.00 H new ATOM 0 HA ASN A 32 1.466 -10.962 -0.670 1.00 0.00 H new ATOM 0 HB2 ASN A 32 0.891 -12.271 -3.344 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.469 -12.146 -2.591 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.229 -14.956 -1.327 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.674 -13.690 -2.476 1.00 0.00 H new ATOM 500 N ILE A 33 0.581 -8.635 -2.022 1.00 0.00 N ATOM 501 CA ILE A 33 0.788 -7.353 -2.617 1.00 0.00 C ATOM 502 C ILE A 33 2.156 -6.853 -2.202 1.00 0.00 C ATOM 503 O ILE A 33 2.400 -6.628 -1.030 1.00 0.00 O ATOM 504 CB ILE A 33 -0.291 -6.307 -2.177 1.00 0.00 C ATOM 505 CG1 ILE A 33 -1.705 -6.752 -2.589 1.00 0.00 C ATOM 506 CG2 ILE A 33 0.018 -4.923 -2.762 1.00 0.00 C ATOM 507 CD1 ILE A 33 -1.901 -6.915 -4.092 1.00 0.00 C ATOM 0 H ILE A 33 -0.162 -8.654 -1.323 1.00 0.00 H new ATOM 0 HA ILE A 33 0.711 -7.465 -3.698 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.258 -6.243 -1.089 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.931 -7.700 -2.101 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.425 -6.022 -2.218 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.746 -4.214 -2.442 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.994 -4.589 -2.410 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.026 -4.981 -3.850 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.925 -7.230 -4.293 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.710 -5.964 -4.589 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.209 -7.667 -4.470 1.00 0.00 H new ATOM 519 N SER A 34 3.052 -6.759 -3.131 1.00 0.00 N ATOM 520 CA SER A 34 4.351 -6.270 -2.832 1.00 0.00 C ATOM 521 C SER A 34 4.475 -4.834 -3.325 1.00 0.00 C ATOM 522 O SER A 34 3.474 -4.235 -3.780 1.00 0.00 O ATOM 523 CB SER A 34 5.402 -7.164 -3.480 1.00 0.00 C ATOM 524 OG SER A 34 5.331 -7.124 -4.905 1.00 0.00 O ATOM 0 H SER A 34 2.903 -7.017 -4.107 1.00 0.00 H new ATOM 0 HA SER A 34 4.513 -6.283 -1.754 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.395 -6.850 -3.157 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.266 -8.190 -3.139 1.00 0.00 H new ATOM 0 HG SER A 34 4.455 -7.451 -5.198 1.00 0.00 H new ATOM 530 N GLY A 35 5.694 -4.305 -3.297 1.00 0.00 N ATOM 531 CA GLY A 35 5.947 -2.954 -3.729 1.00 0.00 C ATOM 532 C GLY A 35 5.617 -2.778 -5.182 1.00 0.00 C ATOM 533 O GLY A 35 5.199 -1.704 -5.600 1.00 0.00 O ATOM 0 H GLY A 35 6.523 -4.805 -2.975 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.354 -2.261 -3.132 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.994 -2.705 -3.559 1.00 0.00 H new ATOM 537 N GLU A 36 5.771 -3.860 -5.929 1.00 0.00 N ATOM 538 CA GLU A 36 5.428 -3.929 -7.336 1.00 0.00 C ATOM 539 C GLU A 36 3.996 -3.440 -7.550 1.00 0.00 C ATOM 540 O GLU A 36 3.743 -2.570 -8.383 1.00 0.00 O ATOM 541 CB GLU A 36 5.548 -5.377 -7.811 1.00 0.00 C ATOM 542 CG GLU A 36 5.304 -5.571 -9.290 1.00 0.00 C ATOM 543 CD GLU A 36 5.198 -7.020 -9.670 1.00 0.00 C ATOM 544 OE1 GLU A 36 6.234 -7.702 -9.793 1.00 0.00 O ATOM 545 OE2 GLU A 36 4.068 -7.500 -9.884 1.00 0.00 O ATOM 0 H GLU A 36 6.147 -4.734 -5.562 1.00 0.00 H new ATOM 0 HA GLU A 36 6.108 -3.295 -7.904 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.545 -5.745 -7.568 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.838 -5.989 -7.255 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.386 -5.056 -9.574 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.116 -5.110 -9.852 1.00 0.00 H new ATOM 552 N GLN A 37 3.075 -3.942 -6.739 1.00 0.00 N ATOM 553 CA GLN A 37 1.685 -3.588 -6.901 1.00 0.00 C ATOM 554 C GLN A 37 1.339 -2.332 -6.154 1.00 0.00 C ATOM 555 O GLN A 37 0.386 -1.658 -6.505 1.00 0.00 O ATOM 556 CB GLN A 37 0.689 -4.731 -6.579 1.00 0.00 C ATOM 557 CG GLN A 37 1.251 -6.006 -5.953 1.00 0.00 C ATOM 558 CD GLN A 37 2.214 -6.778 -6.835 1.00 0.00 C ATOM 559 OE1 GLN A 37 3.082 -7.475 -6.330 1.00 0.00 O ATOM 560 NE2 GLN A 37 2.095 -6.630 -8.132 1.00 0.00 N ATOM 0 H GLN A 37 3.268 -4.587 -5.973 1.00 0.00 H new ATOM 0 HA GLN A 37 1.568 -3.397 -7.968 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.071 -4.334 -5.906 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.183 -5.006 -7.505 1.00 0.00 H new ATOM 0 HG2 GLN A 37 1.760 -5.744 -5.025 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.420 -6.660 -5.687 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.356 -6.039 -8.512 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.741 -7.106 -8.761 1.00 0.00 H new ATOM 569 N LEU A 38 2.141 -2.028 -5.153 1.00 0.00 N ATOM 570 CA LEU A 38 2.012 -0.841 -4.311 1.00 0.00 C ATOM 571 C LEU A 38 2.159 0.416 -5.181 1.00 0.00 C ATOM 572 O LEU A 38 1.342 1.326 -5.136 1.00 0.00 O ATOM 573 CB LEU A 38 3.140 -0.914 -3.253 1.00 0.00 C ATOM 574 CG LEU A 38 3.043 -0.085 -1.962 1.00 0.00 C ATOM 575 CD1 LEU A 38 4.248 -0.372 -1.091 1.00 0.00 C ATOM 576 CD2 LEU A 38 2.962 1.401 -2.225 1.00 0.00 C ATOM 0 H LEU A 38 2.930 -2.618 -4.889 1.00 0.00 H new ATOM 0 HA LEU A 38 1.039 -0.797 -3.821 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.241 -1.959 -2.960 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.068 -0.631 -3.750 1.00 0.00 H new ATOM 0 HG LEU A 38 2.121 -0.377 -1.460 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.182 0.214 -0.175 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.273 -1.433 -0.842 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.158 -0.104 -1.629 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.895 1.935 -1.277 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.854 1.725 -2.762 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.078 1.617 -2.826 1.00 0.00 H new ATOM 588 N LEU A 39 3.185 0.426 -5.990 1.00 0.00 N ATOM 589 CA LEU A 39 3.492 1.558 -6.857 1.00 0.00 C ATOM 590 C LEU A 39 2.400 1.739 -7.913 1.00 0.00 C ATOM 591 O LEU A 39 1.986 2.866 -8.221 1.00 0.00 O ATOM 592 CB LEU A 39 4.835 1.308 -7.537 1.00 0.00 C ATOM 593 CG LEU A 39 6.022 1.004 -6.610 1.00 0.00 C ATOM 594 CD1 LEU A 39 7.186 0.451 -7.403 1.00 0.00 C ATOM 595 CD2 LEU A 39 6.449 2.243 -5.852 1.00 0.00 C ATOM 0 H LEU A 39 3.842 -0.350 -6.075 1.00 0.00 H new ATOM 0 HA LEU A 39 3.541 2.467 -6.258 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.718 0.473 -8.228 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.084 2.185 -8.135 1.00 0.00 H new ATOM 0 HG LEU A 39 5.701 0.254 -5.888 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.018 0.241 -6.730 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.882 -0.469 -7.902 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.498 1.182 -8.149 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.291 2.001 -5.203 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.747 3.017 -6.559 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.617 2.604 -5.247 1.00 0.00 H new ATOM 607 N GLN A 40 1.914 0.638 -8.435 1.00 0.00 N ATOM 608 CA GLN A 40 0.901 0.683 -9.482 1.00 0.00 C ATOM 609 C GLN A 40 -0.543 0.548 -8.949 1.00 0.00 C ATOM 610 O GLN A 40 -1.462 0.208 -9.692 1.00 0.00 O ATOM 611 CB GLN A 40 1.244 -0.301 -10.627 1.00 0.00 C ATOM 612 CG GLN A 40 1.381 -1.776 -10.261 1.00 0.00 C ATOM 613 CD GLN A 40 0.101 -2.556 -10.329 1.00 0.00 C ATOM 614 OE1 GLN A 40 -0.273 -3.062 -11.381 1.00 0.00 O ATOM 615 NE2 GLN A 40 -0.532 -2.736 -9.224 1.00 0.00 N ATOM 0 H GLN A 40 2.198 -0.302 -8.158 1.00 0.00 H new ATOM 0 HA GLN A 40 0.925 1.684 -9.912 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.472 -0.213 -11.391 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.180 0.023 -11.082 1.00 0.00 H new ATOM 0 HG2 GLN A 40 2.108 -2.237 -10.929 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.784 -1.851 -9.251 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.194 -2.300 -8.366 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.372 -3.314 -9.206 1.00 0.00 H new ATOM 624 N LEU A 41 -0.741 0.864 -7.666 1.00 0.00 N ATOM 625 CA LEU A 41 -2.065 0.863 -7.059 1.00 0.00 C ATOM 626 C LEU A 41 -2.995 1.906 -7.675 1.00 0.00 C ATOM 627 O LEU A 41 -2.544 2.900 -8.277 1.00 0.00 O ATOM 628 CB LEU A 41 -1.994 1.139 -5.568 1.00 0.00 C ATOM 629 CG LEU A 41 -1.512 0.025 -4.669 1.00 0.00 C ATOM 630 CD1 LEU A 41 -1.337 0.580 -3.302 1.00 0.00 C ATOM 631 CD2 LEU A 41 -2.527 -1.103 -4.620 1.00 0.00 C ATOM 0 H LEU A 41 0.010 1.125 -7.027 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.464 -0.134 -7.246 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.340 1.998 -5.417 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.989 1.433 -5.234 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.573 -0.372 -5.055 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.989 -0.206 -2.632 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.604 1.386 -3.328 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.290 0.968 -2.942 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.160 -1.895 -3.967 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.474 -0.724 -4.234 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.677 -1.501 -5.624 1.00 0.00 H new ATOM 643 N ASP A 42 -4.272 1.681 -7.501 1.00 0.00 N ATOM 644 CA ASP A 42 -5.325 2.585 -7.913 1.00 0.00 C ATOM 645 C ASP A 42 -6.573 2.134 -7.190 1.00 0.00 C ATOM 646 O ASP A 42 -6.513 1.123 -6.462 1.00 0.00 O ATOM 647 CB ASP A 42 -5.557 2.606 -9.450 1.00 0.00 C ATOM 648 CG ASP A 42 -6.222 1.363 -10.011 1.00 0.00 C ATOM 649 OD1 ASP A 42 -7.453 1.294 -9.999 1.00 0.00 O ATOM 650 OD2 ASP A 42 -5.516 0.455 -10.499 1.00 0.00 O ATOM 0 H ASP A 42 -4.624 0.835 -7.053 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.046 3.608 -7.659 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.170 3.472 -9.699 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.596 2.742 -9.946 1.00 0.00 H new ATOM 655 N GLY A 43 -7.679 2.839 -7.382 1.00 0.00 N ATOM 656 CA GLY A 43 -8.921 2.533 -6.698 1.00 0.00 C ATOM 657 C GLY A 43 -9.391 1.116 -6.892 1.00 0.00 C ATOM 658 O GLY A 43 -9.852 0.503 -5.946 1.00 0.00 O ATOM 0 H GLY A 43 -7.738 3.637 -8.015 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.793 2.720 -5.632 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.696 3.214 -7.050 1.00 0.00 H new ATOM 662 N ASN A 44 -9.221 0.576 -8.090 1.00 0.00 N ATOM 663 CA ASN A 44 -9.662 -0.778 -8.411 1.00 0.00 C ATOM 664 C ASN A 44 -9.002 -1.781 -7.540 1.00 0.00 C ATOM 665 O ASN A 44 -9.650 -2.694 -7.036 1.00 0.00 O ATOM 666 CB ASN A 44 -9.410 -1.124 -9.862 1.00 0.00 C ATOM 667 CG ASN A 44 -10.396 -0.488 -10.810 1.00 0.00 C ATOM 668 OD1 ASN A 44 -11.560 -0.268 -10.468 1.00 0.00 O ATOM 669 ND2 ASN A 44 -9.948 -0.181 -11.990 1.00 0.00 N ATOM 0 H ASN A 44 -8.774 1.062 -8.868 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.737 -0.805 -8.232 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -8.402 -0.809 -10.133 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.449 -2.207 -9.982 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -10.566 0.259 -12.672 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -8.978 -0.379 -12.235 1.00 0.00 H new ATOM 676 N LYS A 45 -7.730 -1.601 -7.330 1.00 0.00 N ATOM 677 CA LYS A 45 -6.983 -2.483 -6.470 1.00 0.00 C ATOM 678 C LYS A 45 -7.462 -2.340 -5.045 1.00 0.00 C ATOM 679 O LYS A 45 -7.745 -3.311 -4.392 1.00 0.00 O ATOM 680 CB LYS A 45 -5.492 -2.210 -6.546 1.00 0.00 C ATOM 681 CG LYS A 45 -4.966 -2.134 -7.957 1.00 0.00 C ATOM 682 CD LYS A 45 -3.527 -2.614 -8.055 1.00 0.00 C ATOM 683 CE LYS A 45 -3.360 -4.091 -7.684 1.00 0.00 C ATOM 684 NZ LYS A 45 -4.187 -4.993 -8.525 1.00 0.00 N ATOM 0 H LYS A 45 -7.182 -0.847 -7.744 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.152 -3.504 -6.812 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.276 -1.272 -6.035 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.959 -2.995 -6.010 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.595 -2.738 -8.611 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.030 -1.106 -8.313 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.167 -2.458 -9.072 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.902 -2.008 -7.399 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.311 -4.369 -7.784 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.629 -4.230 -6.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.935 -5.982 -8.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.193 -4.841 -8.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.012 -4.788 -9.530 1.00 0.00 H new ATOM 698 N LEU A 46 -7.639 -1.105 -4.614 1.00 0.00 N ATOM 699 CA LEU A 46 -8.084 -0.788 -3.248 1.00 0.00 C ATOM 700 C LEU A 46 -9.470 -1.384 -2.970 1.00 0.00 C ATOM 701 O LEU A 46 -9.859 -1.628 -1.801 1.00 0.00 O ATOM 702 CB LEU A 46 -8.129 0.725 -3.078 1.00 0.00 C ATOM 703 CG LEU A 46 -6.818 1.458 -3.361 1.00 0.00 C ATOM 704 CD1 LEU A 46 -7.000 2.957 -3.245 1.00 0.00 C ATOM 705 CD2 LEU A 46 -5.710 0.970 -2.437 1.00 0.00 C ATOM 0 H LEU A 46 -7.480 -0.282 -5.195 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.380 -1.223 -2.538 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.898 1.125 -3.739 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.437 0.949 -2.057 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.522 1.234 -4.386 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.053 3.456 -3.451 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.749 3.289 -3.964 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.330 3.207 -2.236 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.788 1.507 -2.659 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.995 1.151 -1.400 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.553 -0.098 -2.589 1.00 0.00 H new ATOM 717 N LYS A 47 -10.211 -1.580 -4.040 1.00 0.00 N ATOM 718 CA LYS A 47 -11.504 -2.203 -4.010 1.00 0.00 C ATOM 719 C LYS A 47 -11.359 -3.729 -4.005 1.00 0.00 C ATOM 720 O LYS A 47 -12.019 -4.412 -3.231 1.00 0.00 O ATOM 721 CB LYS A 47 -12.353 -1.707 -5.192 1.00 0.00 C ATOM 722 CG LYS A 47 -12.687 -0.219 -5.108 1.00 0.00 C ATOM 723 CD LYS A 47 -13.094 0.423 -6.455 1.00 0.00 C ATOM 724 CE LYS A 47 -14.437 -0.055 -7.033 1.00 0.00 C ATOM 725 NZ LYS A 47 -14.413 -1.433 -7.607 1.00 0.00 N ATOM 0 H LYS A 47 -9.917 -1.301 -4.976 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.021 -1.924 -3.092 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.819 -1.901 -6.122 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.280 -2.279 -5.231 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -13.499 -0.081 -4.394 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -11.822 0.313 -4.713 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.138 1.504 -6.324 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.311 0.222 -7.186 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -15.190 -0.017 -6.246 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -14.752 0.642 -7.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.082 -1.490 -8.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -13.454 -1.651 -7.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.686 -2.119 -6.874 1.00 0.00 H new ATOM 739 N ALA A 48 -10.427 -4.238 -4.812 1.00 0.00 N ATOM 740 CA ALA A 48 -10.149 -5.685 -4.925 1.00 0.00 C ATOM 741 C ALA A 48 -9.492 -6.230 -3.650 1.00 0.00 C ATOM 742 O ALA A 48 -9.377 -7.442 -3.450 1.00 0.00 O ATOM 743 CB ALA A 48 -9.280 -5.975 -6.144 1.00 0.00 C ATOM 0 H ALA A 48 -9.837 -3.662 -5.412 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.103 -6.196 -5.052 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.088 -7.046 -6.207 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.796 -5.645 -7.046 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.334 -5.442 -6.052 1.00 0.00 H new ATOM 749 N LEU A 49 -9.039 -5.327 -2.811 1.00 0.00 N ATOM 750 CA LEU A 49 -8.537 -5.660 -1.485 1.00 0.00 C ATOM 751 C LEU A 49 -9.708 -5.982 -0.527 1.00 0.00 C ATOM 752 O LEU A 49 -9.500 -6.283 0.638 1.00 0.00 O ATOM 753 CB LEU A 49 -7.681 -4.499 -0.909 1.00 0.00 C ATOM 754 CG LEU A 49 -6.137 -4.530 -1.117 1.00 0.00 C ATOM 755 CD1 LEU A 49 -5.521 -5.730 -0.460 1.00 0.00 C ATOM 756 CD2 LEU A 49 -5.728 -4.488 -2.572 1.00 0.00 C ATOM 0 H LEU A 49 -9.006 -4.330 -3.025 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.904 -6.543 -1.577 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.053 -3.569 -1.339 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.869 -4.451 0.164 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.763 -3.622 -0.645 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.443 -5.722 -0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.725 -5.704 0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.946 -6.638 -0.888 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.641 -4.512 -2.645 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.146 -5.350 -3.093 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.102 -3.572 -3.029 1.00 0.00 H new ATOM 768 N GLY A 50 -10.947 -5.861 -1.027 1.00 0.00 N ATOM 769 CA GLY A 50 -12.136 -6.159 -0.226 1.00 0.00 C ATOM 770 C GLY A 50 -12.357 -5.123 0.845 1.00 0.00 C ATOM 771 O GLY A 50 -13.106 -5.330 1.806 1.00 0.00 O ATOM 0 H GLY A 50 -11.148 -5.559 -1.980 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -13.011 -6.205 -0.875 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.029 -7.141 0.234 1.00 0.00 H new ATOM 775 N MET A 51 -11.696 -4.018 0.678 1.00 0.00 N ATOM 776 CA MET A 51 -11.723 -2.955 1.623 1.00 0.00 C ATOM 777 C MET A 51 -12.649 -1.884 1.159 1.00 0.00 C ATOM 778 O MET A 51 -13.675 -1.663 1.755 1.00 0.00 O ATOM 779 CB MET A 51 -10.344 -2.396 1.790 1.00 0.00 C ATOM 780 CG MET A 51 -9.348 -3.330 2.466 1.00 0.00 C ATOM 781 SD MET A 51 -9.820 -3.794 4.142 1.00 0.00 S ATOM 782 CE MET A 51 -9.751 -2.209 4.980 1.00 0.00 C ATOM 0 H MET A 51 -11.112 -3.831 -0.137 1.00 0.00 H new ATOM 0 HA MET A 51 -12.076 -3.337 2.581 1.00 0.00 H new ATOM 0 HB2 MET A 51 -9.957 -2.125 0.808 1.00 0.00 H new ATOM 0 HB3 MET A 51 -10.409 -1.476 2.371 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.242 -4.232 1.864 1.00 0.00 H new ATOM 0 HG3 MET A 51 -8.371 -2.848 2.493 1.00 0.00 H new ATOM 0 HE1 MET A 51 -9.239 -2.324 5.935 1.00 0.00 H new ATOM 0 HE2 MET A 51 -9.209 -1.494 4.361 1.00 0.00 H new ATOM 0 HE3 MET A 51 -10.764 -1.845 5.153 1.00 0.00 H new ATOM 792 N THR A 52 -12.261 -1.216 0.066 1.00 0.00 N ATOM 793 CA THR A 52 -13.046 -0.186 -0.642 1.00 0.00 C ATOM 794 C THR A 52 -13.288 1.102 0.188 1.00 0.00 C ATOM 795 O THR A 52 -13.824 2.080 -0.339 1.00 0.00 O ATOM 796 CB THR A 52 -14.410 -0.763 -1.165 1.00 0.00 C ATOM 797 OG1 THR A 52 -15.345 -0.979 -0.086 1.00 0.00 O ATOM 798 CG2 THR A 52 -14.164 -2.095 -1.836 1.00 0.00 C ATOM 0 H THR A 52 -11.354 -1.382 -0.371 1.00 0.00 H new ATOM 0 HA THR A 52 -12.431 0.107 -1.493 1.00 0.00 H new ATOM 0 HB THR A 52 -14.830 -0.037 -1.861 1.00 0.00 H new ATOM 0 HG1 THR A 52 -14.857 -1.051 0.761 1.00 0.00 H new ATOM 0 HG21 THR A 52 -15.109 -2.499 -2.200 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.480 -1.960 -2.674 1.00 0.00 H new ATOM 0 HG23 THR A 52 -13.726 -2.789 -1.118 1.00 0.00 H new ATOM 806 N SER A 53 -12.830 1.088 1.429 1.00 0.00 N ATOM 807 CA SER A 53 -13.042 2.097 2.436 1.00 0.00 C ATOM 808 C SER A 53 -12.704 3.508 1.932 1.00 0.00 C ATOM 809 O SER A 53 -11.573 3.780 1.535 1.00 0.00 O ATOM 810 CB SER A 53 -12.161 1.722 3.593 1.00 0.00 C ATOM 811 OG SER A 53 -12.228 0.314 3.849 1.00 0.00 O ATOM 0 H SER A 53 -12.262 0.315 1.776 1.00 0.00 H new ATOM 0 HA SER A 53 -14.094 2.131 2.719 1.00 0.00 H new ATOM 0 HB2 SER A 53 -11.131 2.009 3.379 1.00 0.00 H new ATOM 0 HB3 SER A 53 -12.467 2.273 4.482 1.00 0.00 H new ATOM 0 HG SER A 53 -11.922 0.133 4.762 1.00 0.00 H new ATOM 817 N SER A 54 -13.691 4.377 1.981 1.00 0.00 N ATOM 818 CA SER A 54 -13.631 5.722 1.426 1.00 0.00 C ATOM 819 C SER A 54 -12.440 6.570 1.927 1.00 0.00 C ATOM 820 O SER A 54 -11.721 7.172 1.117 1.00 0.00 O ATOM 821 CB SER A 54 -14.954 6.428 1.691 1.00 0.00 C ATOM 822 OG SER A 54 -15.291 6.342 3.072 1.00 0.00 O ATOM 0 H SER A 54 -14.587 4.165 2.421 1.00 0.00 H new ATOM 0 HA SER A 54 -13.461 5.614 0.355 1.00 0.00 H new ATOM 0 HB2 SER A 54 -14.883 7.474 1.391 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.742 5.977 1.088 1.00 0.00 H new ATOM 0 HG SER A 54 -16.142 6.801 3.230 1.00 0.00 H new ATOM 828 N GLN A 55 -12.235 6.603 3.248 1.00 0.00 N ATOM 829 CA GLN A 55 -11.141 7.373 3.860 1.00 0.00 C ATOM 830 C GLN A 55 -9.816 6.944 3.266 1.00 0.00 C ATOM 831 O GLN A 55 -9.002 7.768 2.815 1.00 0.00 O ATOM 832 CB GLN A 55 -11.080 7.105 5.368 1.00 0.00 C ATOM 833 CG GLN A 55 -9.878 7.744 6.053 1.00 0.00 C ATOM 834 CD GLN A 55 -9.257 6.819 7.072 1.00 0.00 C ATOM 835 OE1 GLN A 55 -9.615 6.829 8.252 1.00 0.00 O ATOM 836 NE2 GLN A 55 -8.340 5.986 6.620 1.00 0.00 N ATOM 0 H GLN A 55 -12.816 6.102 3.920 1.00 0.00 H new ATOM 0 HA GLN A 55 -11.326 8.431 3.671 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.993 7.478 5.832 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -11.054 6.028 5.536 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.133 8.013 5.304 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -10.187 8.668 6.541 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.071 6.009 5.636 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.900 5.319 7.254 1.00 0.00 H new ATOM 845 N ASP A 56 -9.633 5.655 3.262 1.00 0.00 N ATOM 846 CA ASP A 56 -8.424 5.014 2.825 1.00 0.00 C ATOM 847 C ASP A 56 -8.206 5.291 1.381 1.00 0.00 C ATOM 848 O ASP A 56 -7.147 5.738 1.012 1.00 0.00 O ATOM 849 CB ASP A 56 -8.516 3.511 3.047 1.00 0.00 C ATOM 850 CG ASP A 56 -8.797 3.139 4.478 1.00 0.00 C ATOM 851 OD1 ASP A 56 -9.978 3.236 4.905 1.00 0.00 O ATOM 852 OD2 ASP A 56 -7.882 2.766 5.191 1.00 0.00 O ATOM 0 H ASP A 56 -10.347 4.997 3.574 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.587 5.407 3.403 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.302 3.104 2.411 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.581 3.046 2.734 1.00 0.00 H new ATOM 857 N ARG A 57 -9.261 5.102 0.588 1.00 0.00 N ATOM 858 CA ARG A 57 -9.259 5.310 -0.867 1.00 0.00 C ATOM 859 C ARG A 57 -8.667 6.639 -1.257 1.00 0.00 C ATOM 860 O ARG A 57 -7.953 6.726 -2.238 1.00 0.00 O ATOM 861 CB ARG A 57 -10.677 5.216 -1.408 1.00 0.00 C ATOM 862 CG ARG A 57 -11.220 3.811 -1.489 1.00 0.00 C ATOM 863 CD ARG A 57 -10.809 3.125 -2.778 1.00 0.00 C ATOM 864 NE ARG A 57 -11.409 3.787 -3.935 1.00 0.00 N ATOM 865 CZ ARG A 57 -12.677 3.624 -4.356 1.00 0.00 C ATOM 866 NH1 ARG A 57 -13.542 2.901 -3.637 1.00 0.00 N ATOM 867 NH2 ARG A 57 -13.088 4.232 -5.446 1.00 0.00 N ATOM 0 H ARG A 57 -10.165 4.792 0.945 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.636 4.527 -1.299 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -11.335 5.811 -0.775 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -10.704 5.661 -2.403 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.861 3.232 -0.638 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -12.308 3.837 -1.421 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.723 3.136 -2.870 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -11.116 2.079 -2.752 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.818 4.425 -4.467 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -13.243 2.469 -2.763 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -14.501 2.782 -3.962 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.447 4.826 -5.971 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -14.048 4.110 -5.767 1.00 0.00 H new ATOM 881 N ALA A 58 -8.951 7.654 -0.480 1.00 0.00 N ATOM 882 CA ALA A 58 -8.441 8.982 -0.765 1.00 0.00 C ATOM 883 C ALA A 58 -7.013 9.159 -0.234 1.00 0.00 C ATOM 884 O ALA A 58 -6.167 9.815 -0.867 1.00 0.00 O ATOM 885 CB ALA A 58 -9.370 10.039 -0.186 1.00 0.00 C ATOM 0 H ALA A 58 -9.532 7.592 0.356 1.00 0.00 H new ATOM 0 HA ALA A 58 -8.405 9.105 -1.847 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -8.975 11.031 -0.407 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.360 9.935 -0.629 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.441 9.909 0.894 1.00 0.00 H new ATOM 891 N LEU A 59 -6.719 8.521 0.880 1.00 0.00 N ATOM 892 CA LEU A 59 -5.437 8.708 1.531 1.00 0.00 C ATOM 893 C LEU A 59 -4.341 7.896 0.892 1.00 0.00 C ATOM 894 O LEU A 59 -3.274 8.428 0.559 1.00 0.00 O ATOM 895 CB LEU A 59 -5.475 8.385 3.008 1.00 0.00 C ATOM 896 CG LEU A 59 -4.145 8.652 3.707 1.00 0.00 C ATOM 897 CD1 LEU A 59 -3.708 10.098 3.531 1.00 0.00 C ATOM 898 CD2 LEU A 59 -4.195 8.290 5.149 1.00 0.00 C ATOM 0 H LEU A 59 -7.347 7.871 1.353 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.218 9.769 1.407 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.256 8.977 3.485 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.745 7.337 3.139 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.402 8.012 3.231 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.757 10.255 4.041 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.591 10.316 2.469 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.462 10.760 3.957 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.229 8.495 5.609 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.966 8.879 5.646 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.427 7.230 5.250 1.00 0.00 H new ATOM 910 N VAL A 60 -4.577 6.611 0.715 1.00 0.00 N ATOM 911 CA VAL A 60 -3.592 5.756 0.106 1.00 0.00 C ATOM 912 C VAL A 60 -3.359 6.197 -1.344 1.00 0.00 C ATOM 913 O VAL A 60 -2.294 6.032 -1.885 1.00 0.00 O ATOM 914 CB VAL A 60 -3.956 4.235 0.197 1.00 0.00 C ATOM 915 CG1 VAL A 60 -5.294 3.944 -0.403 1.00 0.00 C ATOM 916 CG2 VAL A 60 -2.918 3.435 -0.506 1.00 0.00 C ATOM 0 H VAL A 60 -5.442 6.142 0.985 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.665 5.864 0.669 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.996 3.965 1.252 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.507 2.878 -0.319 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.061 4.510 0.126 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.292 4.231 -1.454 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.170 2.376 -0.443 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.873 3.736 -1.553 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.948 3.605 -0.038 1.00 0.00 H new ATOM 926 N LYS A 61 -4.328 6.901 -1.879 1.00 0.00 N ATOM 927 CA LYS A 61 -4.288 7.383 -3.245 1.00 0.00 C ATOM 928 C LYS A 61 -3.237 8.454 -3.360 1.00 0.00 C ATOM 929 O LYS A 61 -2.503 8.532 -4.342 1.00 0.00 O ATOM 930 CB LYS A 61 -5.651 7.959 -3.658 1.00 0.00 C ATOM 931 CG LYS A 61 -5.694 8.545 -5.072 1.00 0.00 C ATOM 932 CD LYS A 61 -5.447 7.488 -6.144 1.00 0.00 C ATOM 933 CE LYS A 61 -6.623 6.535 -6.299 1.00 0.00 C ATOM 934 NZ LYS A 61 -7.851 7.241 -6.724 1.00 0.00 N ATOM 0 H LYS A 61 -5.177 7.160 -1.375 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.049 6.550 -3.905 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.401 7.172 -3.582 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.932 8.737 -2.948 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.665 9.010 -5.241 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.944 9.331 -5.160 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.253 7.979 -7.097 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.552 6.919 -5.891 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.374 5.767 -7.031 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.806 6.026 -5.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.531 6.554 -7.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.274 7.725 -5.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.614 7.941 -7.456 1.00 0.00 H new ATOM 948 N LYS A 62 -3.121 9.227 -2.320 1.00 0.00 N ATOM 949 CA LYS A 62 -2.221 10.324 -2.347 1.00 0.00 C ATOM 950 C LYS A 62 -0.869 9.879 -1.846 1.00 0.00 C ATOM 951 O LYS A 62 0.122 10.527 -2.075 1.00 0.00 O ATOM 952 CB LYS A 62 -2.762 11.513 -1.549 1.00 0.00 C ATOM 953 CG LYS A 62 -2.617 11.433 -0.034 1.00 0.00 C ATOM 954 CD LYS A 62 -3.169 12.683 0.652 1.00 0.00 C ATOM 955 CE LYS A 62 -2.478 13.959 0.164 1.00 0.00 C ATOM 956 NZ LYS A 62 -2.914 15.147 0.916 1.00 0.00 N ATOM 0 H LYS A 62 -3.640 9.113 -1.449 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.113 10.667 -3.376 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.256 12.415 -1.894 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.819 11.631 -1.786 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.142 10.552 0.336 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.566 11.310 0.225 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.240 12.756 0.464 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.040 12.591 1.730 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.398 13.846 0.260 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -2.690 14.103 -0.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.421 15.988 0.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.940 15.272 0.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.689 15.022 1.924 1.00 0.00 H new ATOM 970 N LYS A 63 -0.849 8.767 -1.146 1.00 0.00 N ATOM 971 CA LYS A 63 0.388 8.224 -0.675 1.00 0.00 C ATOM 972 C LYS A 63 1.048 7.376 -1.738 1.00 0.00 C ATOM 973 O LYS A 63 2.236 7.422 -1.892 1.00 0.00 O ATOM 974 CB LYS A 63 0.172 7.373 0.537 1.00 0.00 C ATOM 975 CG LYS A 63 1.238 7.587 1.595 1.00 0.00 C ATOM 976 CD LYS A 63 1.131 8.965 2.223 1.00 0.00 C ATOM 977 CE LYS A 63 -0.209 9.169 2.934 1.00 0.00 C ATOM 978 NZ LYS A 63 -0.235 10.469 3.628 1.00 0.00 N ATOM 0 H LYS A 63 -1.678 8.228 -0.895 1.00 0.00 H new ATOM 0 HA LYS A 63 1.031 9.067 -0.425 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.807 7.594 0.962 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.162 6.323 0.243 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.142 6.825 2.369 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.225 7.465 1.148 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.944 9.103 2.936 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.251 9.725 1.451 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.022 9.121 2.210 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.373 8.364 3.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.449 10.321 4.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.692 10.931 3.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.967 11.074 3.204 1.00 0.00 H new ATOM 992 N LEU A 64 0.256 6.618 -2.482 1.00 0.00 N ATOM 993 CA LEU A 64 0.774 5.690 -3.502 1.00 0.00 C ATOM 994 C LEU A 64 1.434 6.430 -4.652 1.00 0.00 C ATOM 995 O LEU A 64 2.089 5.830 -5.487 1.00 0.00 O ATOM 996 CB LEU A 64 -0.346 4.747 -4.013 1.00 0.00 C ATOM 997 CG LEU A 64 -1.391 5.318 -5.008 1.00 0.00 C ATOM 998 CD1 LEU A 64 -0.892 5.243 -6.455 1.00 0.00 C ATOM 999 CD2 LEU A 64 -2.725 4.606 -4.862 1.00 0.00 C ATOM 0 H LEU A 64 -0.761 6.621 -2.404 1.00 0.00 H new ATOM 0 HA LEU A 64 1.542 5.078 -3.028 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.132 3.890 -4.488 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.885 4.370 -3.144 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.535 6.370 -4.762 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.650 5.652 -7.123 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.027 5.820 -6.553 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.698 4.204 -6.719 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.440 5.024 -5.570 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.594 3.543 -5.064 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.099 4.739 -3.847 1.00 0.00 H new ATOM 1011 N LYS A 65 1.199 7.708 -4.733 1.00 0.00 N ATOM 1012 CA LYS A 65 1.842 8.521 -5.754 1.00 0.00 C ATOM 1013 C LYS A 65 3.180 9.093 -5.258 1.00 0.00 C ATOM 1014 O LYS A 65 3.980 9.586 -6.056 1.00 0.00 O ATOM 1015 CB LYS A 65 0.929 9.662 -6.232 1.00 0.00 C ATOM 1016 CG LYS A 65 0.573 10.662 -5.146 1.00 0.00 C ATOM 1017 CD LYS A 65 -0.161 11.867 -5.698 1.00 0.00 C ATOM 1018 CE LYS A 65 -0.466 12.877 -4.599 1.00 0.00 C ATOM 1019 NZ LYS A 65 -1.019 14.138 -5.136 1.00 0.00 N ATOM 0 H LYS A 65 0.571 8.219 -4.112 1.00 0.00 H new ATOM 0 HA LYS A 65 2.038 7.862 -6.600 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.420 10.189 -7.050 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.010 9.235 -6.634 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.047 10.174 -4.394 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.483 10.991 -4.645 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.442 12.340 -6.473 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.090 11.546 -6.169 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.176 12.442 -3.895 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.446 13.091 -4.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.211 14.794 -4.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.332 14.568 -5.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.903 13.940 -5.646 1.00 0.00 H new ATOM 1033 N GLU A 66 3.430 9.012 -3.962 1.00 0.00 N ATOM 1034 CA GLU A 66 4.640 9.591 -3.369 1.00 0.00 C ATOM 1035 C GLU A 66 5.260 8.612 -2.403 1.00 0.00 C ATOM 1036 O GLU A 66 6.142 8.921 -1.615 1.00 0.00 O ATOM 1037 CB GLU A 66 4.323 10.927 -2.721 1.00 0.00 C ATOM 1038 CG GLU A 66 3.288 10.876 -1.620 1.00 0.00 C ATOM 1039 CD GLU A 66 2.818 12.256 -1.262 1.00 0.00 C ATOM 1040 OE1 GLU A 66 2.504 13.054 -2.182 1.00 0.00 O ATOM 1041 OE2 GLU A 66 2.800 12.601 -0.070 1.00 0.00 O ATOM 0 H GLU A 66 2.814 8.551 -3.293 1.00 0.00 H new ATOM 0 HA GLU A 66 5.375 9.784 -4.151 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.244 11.343 -2.313 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.977 11.614 -3.493 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.440 10.270 -1.940 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.711 10.392 -0.740 1.00 0.00 H new ATOM 1048 N MET A 67 4.855 7.399 -2.594 1.00 0.00 N ATOM 1049 CA MET A 67 5.273 6.212 -1.873 1.00 0.00 C ATOM 1050 C MET A 67 6.771 6.008 -2.020 1.00 0.00 C ATOM 1051 O MET A 67 7.404 5.347 -1.228 1.00 0.00 O ATOM 1052 CB MET A 67 4.514 5.014 -2.461 1.00 0.00 C ATOM 1053 CG MET A 67 4.895 4.643 -3.906 1.00 0.00 C ATOM 1054 SD MET A 67 4.942 6.066 -5.079 1.00 0.00 S ATOM 1055 CE MET A 67 5.508 5.341 -6.605 1.00 0.00 C ATOM 0 H MET A 67 4.167 7.181 -3.315 1.00 0.00 H new ATOM 0 HA MET A 67 5.052 6.317 -0.811 1.00 0.00 H new ATOM 0 HB2 MET A 67 4.685 4.147 -1.823 1.00 0.00 H new ATOM 0 HB3 MET A 67 3.446 5.229 -2.427 1.00 0.00 H new ATOM 0 HG2 MET A 67 5.874 4.164 -3.898 1.00 0.00 H new ATOM 0 HG3 MET A 67 4.183 3.906 -4.278 1.00 0.00 H new ATOM 0 HE1 MET A 67 5.337 6.039 -7.425 1.00 0.00 H new ATOM 0 HE2 MET A 67 6.573 5.123 -6.531 1.00 0.00 H new ATOM 0 HE3 MET A 67 4.961 4.417 -6.794 1.00 0.00 H new ATOM 1065 N LYS A 68 7.302 6.617 -3.043 1.00 0.00 N ATOM 1066 CA LYS A 68 8.703 6.594 -3.357 1.00 0.00 C ATOM 1067 C LYS A 68 9.529 7.365 -2.320 1.00 0.00 C ATOM 1068 O LYS A 68 10.710 7.109 -2.154 1.00 0.00 O ATOM 1069 CB LYS A 68 8.897 7.122 -4.769 1.00 0.00 C ATOM 1070 CG LYS A 68 8.473 8.576 -4.985 1.00 0.00 C ATOM 1071 CD LYS A 68 8.340 8.908 -6.472 1.00 0.00 C ATOM 1072 CE LYS A 68 9.623 8.645 -7.250 1.00 0.00 C ATOM 1073 NZ LYS A 68 9.468 8.961 -8.684 1.00 0.00 N ATOM 0 H LYS A 68 6.751 7.163 -3.705 1.00 0.00 H new ATOM 0 HA LYS A 68 9.069 5.568 -3.317 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.950 7.024 -5.035 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.334 6.490 -5.456 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.522 8.756 -4.485 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.205 9.241 -4.527 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.532 8.316 -6.901 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.061 9.956 -6.583 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.432 9.244 -6.831 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.909 7.599 -7.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.362 8.769 -9.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 8.713 8.372 -9.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.220 9.965 -8.793 1.00 0.00 H new ATOM 1087 N MET A 69 8.900 8.298 -1.624 1.00 0.00 N ATOM 1088 CA MET A 69 9.578 8.985 -0.542 1.00 0.00 C ATOM 1089 C MET A 69 9.094 8.399 0.772 1.00 0.00 C ATOM 1090 O MET A 69 9.853 8.297 1.757 1.00 0.00 O ATOM 1091 CB MET A 69 9.344 10.518 -0.559 1.00 0.00 C ATOM 1092 CG MET A 69 7.918 10.965 -0.248 1.00 0.00 C ATOM 1093 SD MET A 69 7.719 12.756 -0.191 1.00 0.00 S ATOM 1094 CE MET A 69 8.146 13.211 -1.871 1.00 0.00 C ATOM 0 H MET A 69 7.937 8.592 -1.786 1.00 0.00 H new ATOM 0 HA MET A 69 10.651 8.838 -0.666 1.00 0.00 H new ATOM 0 HB2 MET A 69 10.017 10.979 0.163 1.00 0.00 H new ATOM 0 HB3 MET A 69 9.621 10.900 -1.542 1.00 0.00 H new ATOM 0 HG2 MET A 69 7.246 10.557 -1.003 1.00 0.00 H new ATOM 0 HG3 MET A 69 7.615 10.543 0.710 1.00 0.00 H new ATOM 0 HE1 MET A 69 7.803 14.226 -2.071 1.00 0.00 H new ATOM 0 HE2 MET A 69 9.227 13.162 -1.998 1.00 0.00 H new ATOM 0 HE3 MET A 69 7.667 12.522 -2.567 1.00 0.00 H new ATOM 1104 N SER A 70 7.844 7.947 0.766 1.00 0.00 N ATOM 1105 CA SER A 70 7.222 7.420 1.957 1.00 0.00 C ATOM 1106 C SER A 70 7.795 6.064 2.336 1.00 0.00 C ATOM 1107 O SER A 70 7.809 5.723 3.510 1.00 0.00 O ATOM 1108 CB SER A 70 5.703 7.373 1.803 1.00 0.00 C ATOM 1109 OG SER A 70 5.196 8.660 1.496 1.00 0.00 O ATOM 0 H SER A 70 7.246 7.939 -0.060 1.00 0.00 H new ATOM 0 HA SER A 70 7.449 8.098 2.780 1.00 0.00 H new ATOM 0 HB2 SER A 70 5.433 6.671 1.014 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.249 7.007 2.724 1.00 0.00 H new ATOM 0 HG SER A 70 5.425 8.890 0.571 1.00 0.00 H new ATOM 1115 N LEU A 71 8.304 5.304 1.338 1.00 0.00 N ATOM 1116 CA LEU A 71 8.958 4.018 1.589 1.00 0.00 C ATOM 1117 C LEU A 71 10.071 4.137 2.593 1.00 0.00 C ATOM 1118 O LEU A 71 10.319 3.232 3.383 1.00 0.00 O ATOM 1119 CB LEU A 71 9.485 3.413 0.267 1.00 0.00 C ATOM 1120 CG LEU A 71 10.556 4.172 -0.588 1.00 0.00 C ATOM 1121 CD1 LEU A 71 11.973 4.006 -0.045 1.00 0.00 C ATOM 1122 CD2 LEU A 71 10.510 3.705 -2.028 1.00 0.00 C ATOM 0 H LEU A 71 8.269 5.568 0.353 1.00 0.00 H new ATOM 0 HA LEU A 71 8.209 3.349 2.013 1.00 0.00 H new ATOM 0 HB2 LEU A 71 9.900 2.434 0.505 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.621 3.245 -0.376 1.00 0.00 H new ATOM 0 HG LEU A 71 10.304 5.231 -0.530 1.00 0.00 H new ATOM 0 HD11 LEU A 71 12.672 4.553 -0.678 1.00 0.00 H new ATOM 0 HD12 LEU A 71 12.021 4.397 0.971 1.00 0.00 H new ATOM 0 HD13 LEU A 71 12.239 2.949 -0.040 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.260 4.242 -2.609 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.715 2.635 -2.070 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.521 3.901 -2.443 1.00 0.00 H new ATOM 1134 N GLU A 72 10.723 5.259 2.565 1.00 0.00 N ATOM 1135 CA GLU A 72 11.837 5.470 3.386 1.00 0.00 C ATOM 1136 C GLU A 72 11.436 5.939 4.770 1.00 0.00 C ATOM 1137 O GLU A 72 11.948 5.446 5.782 1.00 0.00 O ATOM 1138 CB GLU A 72 12.797 6.454 2.720 1.00 0.00 C ATOM 1139 CG GLU A 72 13.811 7.070 3.659 1.00 0.00 C ATOM 1140 CD GLU A 72 14.879 7.831 2.938 1.00 0.00 C ATOM 1141 OE1 GLU A 72 15.917 7.235 2.585 1.00 0.00 O ATOM 1142 OE2 GLU A 72 14.702 9.039 2.699 1.00 0.00 O ATOM 0 H GLU A 72 10.483 6.047 1.963 1.00 0.00 H new ATOM 0 HA GLU A 72 12.350 4.517 3.516 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.327 5.939 1.919 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.217 7.252 2.257 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.299 7.738 4.352 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.272 6.283 4.256 1.00 0.00 H new ATOM 1149 N LYS A 73 10.518 6.868 4.820 1.00 0.00 N ATOM 1150 CA LYS A 73 10.196 7.487 6.071 1.00 0.00 C ATOM 1151 C LYS A 73 9.254 6.611 6.902 1.00 0.00 C ATOM 1152 O LYS A 73 9.562 6.303 8.059 1.00 0.00 O ATOM 1153 CB LYS A 73 9.640 8.905 5.863 1.00 0.00 C ATOM 1154 CG LYS A 73 10.555 9.782 5.006 1.00 0.00 C ATOM 1155 CD LYS A 73 10.148 11.255 5.028 1.00 0.00 C ATOM 1156 CE LYS A 73 11.102 12.100 4.183 1.00 0.00 C ATOM 1157 NZ LYS A 73 10.879 13.554 4.347 1.00 0.00 N ATOM 0 H LYS A 73 9.988 7.207 4.017 1.00 0.00 H new ATOM 0 HA LYS A 73 11.119 7.587 6.643 1.00 0.00 H new ATOM 0 HB2 LYS A 73 8.660 8.840 5.390 1.00 0.00 H new ATOM 0 HB3 LYS A 73 9.495 9.379 6.834 1.00 0.00 H new ATOM 0 HG2 LYS A 73 11.581 9.687 5.362 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.540 9.420 3.978 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.131 11.361 4.650 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.146 11.620 6.055 1.00 0.00 H new ATOM 0 HE2 LYS A 73 12.130 11.862 4.456 1.00 0.00 H new ATOM 0 HE3 LYS A 73 10.982 11.835 3.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 11.552 14.078 3.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.907 13.791 4.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 11.020 13.817 5.343 1.00 0.00 H new ATOM 1171 N ALA A 74 8.151 6.192 6.275 1.00 0.00 N ATOM 1172 CA ALA A 74 7.112 5.335 6.863 1.00 0.00 C ATOM 1173 C ALA A 74 6.732 5.758 8.288 1.00 0.00 C ATOM 1174 O ALA A 74 6.035 6.791 8.455 1.00 0.00 O ATOM 1175 CB ALA A 74 7.534 3.866 6.802 1.00 0.00 C ATOM 1176 OXT ALA A 74 7.107 5.064 9.253 1.00 0.00 O ATOM 0 H ALA A 74 7.948 6.448 5.309 1.00 0.00 H new ATOM 0 HA ALA A 74 6.210 5.460 6.263 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.754 3.245 7.241 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.688 3.574 5.763 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.462 3.731 7.358 1.00 0.00 H new TER 1182 ALA A 74