USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 602 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 64 GLN : amide:sc= 0.0409 K(o=0.048,f=-1.4) USER MOD Set 1.2: A 68 LYS NZ :NH3+ -124:sc= 0.00738 (180deg=-0.0943) USER MOD Set 2.1: A 32 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 58 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 16 LYS NZ :NH3+ -128:sc= 0.0522 (180deg=0) USER MOD Set 3.2: A 70 SER OG : rot 180:sc= 0.0923 USER MOD Set 4.1: A 12 THR OG1 : rot 180:sc= 0.206 USER MOD Set 4.2: A 24 THR OG1 : rot -99:sc= 0.211 USER MOD Set 5.1: A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 5.3: A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 99:sc= 0.765 USER MOD Single : A 8 LYS NZ :NH3+ 179:sc= 0.161 (180deg=0.161) USER MOD Single : A 9 THR OG1 : rot 44:sc= 0.595 USER MOD Single : A 10 SER OG : rot 180:sc= -0.993 USER MOD Single : A 14 GLN : amide:sc= -0.489 K(o=-0.49,f=-2.3) USER MOD Single : A 17 LYS NZ :NH3+ 163:sc= -0.0251 (180deg=-0.236) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.535 X(o=-0.54,f=-0.045) USER MOD Single : A 26 SER OG : rot 94:sc= 0.839 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -173:sc= -2.2 (180deg=-2.49) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -168:sc= 0.654 (180deg=0.524) USER MOD Single : A 62 TYR OH : rot 180:sc= 0.102 USER MOD Single : A 63 ASN : amide:sc= -0.509 K(o=-0.51,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.246 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 0.045 15.998 9.152 1.00 0.00 N ATOM 2 CA SER A 1 -0.342 14.609 8.784 1.00 0.00 C ATOM 3 C SER A 1 0.576 14.056 7.696 1.00 0.00 C ATOM 4 O SER A 1 0.498 14.466 6.536 1.00 0.00 O ATOM 5 CB SER A 1 -1.798 14.569 8.306 1.00 0.00 C ATOM 6 OG SER A 1 -2.690 14.907 9.355 1.00 0.00 O ATOM 0 H1 SER A 1 -0.594 16.352 9.893 1.00 0.00 H new ATOM 0 H2 SER A 1 1.023 16.004 9.506 1.00 0.00 H new ATOM 0 H3 SER A 1 -0.024 16.611 8.315 1.00 0.00 H new ATOM 0 HA SER A 1 -0.241 13.986 9.672 1.00 0.00 H new ATOM 0 HB2 SER A 1 -1.930 15.262 7.475 1.00 0.00 H new ATOM 0 HB3 SER A 1 -2.034 13.573 7.931 1.00 0.00 H new ATOM 0 HG SER A 1 -3.612 14.876 9.023 1.00 0.00 H new ATOM 14 N ASP A 2 1.450 13.127 8.085 1.00 0.00 N ATOM 15 CA ASP A 2 2.389 12.509 7.151 1.00 0.00 C ATOM 16 C ASP A 2 2.013 11.049 6.892 1.00 0.00 C ATOM 17 O ASP A 2 1.314 10.428 7.697 1.00 0.00 O ATOM 18 CB ASP A 2 3.814 12.597 7.708 1.00 0.00 C ATOM 19 CG ASP A 2 4.870 12.256 6.673 1.00 0.00 C ATOM 20 OD1 ASP A 2 5.247 13.154 5.889 1.00 0.00 O ATOM 21 OD2 ASP A 2 5.321 11.091 6.645 1.00 0.00 O ATOM 0 H ASP A 2 1.526 12.786 9.043 1.00 0.00 H new ATOM 0 HA ASP A 2 2.342 13.048 6.205 1.00 0.00 H new ATOM 0 HB2 ASP A 2 3.991 13.605 8.083 1.00 0.00 H new ATOM 0 HB3 ASP A 2 3.911 11.919 8.556 1.00 0.00 H new ATOM 26 N VAL A 3 2.477 10.508 5.763 1.00 0.00 N ATOM 27 CA VAL A 3 2.193 9.120 5.396 1.00 0.00 C ATOM 28 C VAL A 3 2.675 8.147 6.476 1.00 0.00 C ATOM 29 O VAL A 3 1.995 7.167 6.781 1.00 0.00 O ATOM 30 CB VAL A 3 2.837 8.744 4.039 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.356 8.682 4.145 1.00 0.00 C ATOM 32 CG2 VAL A 3 2.276 7.424 3.527 1.00 0.00 C ATOM 0 H VAL A 3 3.052 11.011 5.087 1.00 0.00 H new ATOM 0 HA VAL A 3 1.110 9.038 5.303 1.00 0.00 H new ATOM 0 HB VAL A 3 2.587 9.526 3.322 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.778 8.416 3.176 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.739 9.655 4.453 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.639 7.931 4.883 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.741 7.177 2.573 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.487 6.635 4.248 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.198 7.514 3.393 1.00 0.00 H new ATOM 42 N TRP A 4 3.843 8.429 7.058 1.00 0.00 N ATOM 43 CA TRP A 4 4.406 7.574 8.098 1.00 0.00 C ATOM 44 C TRP A 4 3.697 7.801 9.433 1.00 0.00 C ATOM 45 O TRP A 4 3.509 6.860 10.206 1.00 0.00 O ATOM 46 CB TRP A 4 5.908 7.832 8.249 1.00 0.00 C ATOM 47 CG TRP A 4 6.709 6.580 8.443 1.00 0.00 C ATOM 48 CD1 TRP A 4 6.526 5.631 9.409 1.00 0.00 C ATOM 49 CD2 TRP A 4 7.821 6.141 7.656 1.00 0.00 C ATOM 50 NE1 TRP A 4 7.453 4.628 9.268 1.00 0.00 N ATOM 51 CE2 TRP A 4 8.261 4.918 8.199 1.00 0.00 C ATOM 52 CE3 TRP A 4 8.489 6.660 6.542 1.00 0.00 C ATOM 53 CZ2 TRP A 4 9.335 4.209 7.667 1.00 0.00 C ATOM 54 CZ3 TRP A 4 9.556 5.956 6.017 1.00 0.00 C ATOM 55 CH2 TRP A 4 9.969 4.741 6.579 1.00 0.00 C ATOM 0 H TRP A 4 4.414 9.242 6.825 1.00 0.00 H new ATOM 0 HA TRP A 4 4.255 6.536 7.800 1.00 0.00 H new ATOM 0 HB2 TRP A 4 6.271 8.353 7.363 1.00 0.00 H new ATOM 0 HB3 TRP A 4 6.072 8.495 9.098 1.00 0.00 H new ATOM 0 HD1 TRP A 4 5.763 5.665 10.173 1.00 0.00 H new ATOM 0 HE1 TRP A 4 7.528 3.802 9.862 1.00 0.00 H new ATOM 0 HE3 TRP A 4 8.176 7.594 6.100 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 9.656 3.272 8.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 10.081 6.349 5.159 1.00 0.00 H new ATOM 0 HH2 TRP A 4 10.805 4.214 6.144 1.00 0.00 H new ATOM 66 N SER A 5 3.304 9.051 9.703 1.00 0.00 N ATOM 67 CA SER A 5 2.590 9.379 10.936 1.00 0.00 C ATOM 68 C SER A 5 1.250 8.642 10.979 1.00 0.00 C ATOM 69 O SER A 5 0.941 7.957 11.955 1.00 0.00 O ATOM 70 CB SER A 5 2.361 10.890 11.040 1.00 0.00 C ATOM 71 OG SER A 5 1.788 11.236 12.289 1.00 0.00 O ATOM 0 H SER A 5 3.469 9.846 9.086 1.00 0.00 H new ATOM 0 HA SER A 5 3.198 9.061 11.783 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.309 11.414 10.914 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.706 11.218 10.233 1.00 0.00 H new ATOM 0 HG SER A 5 1.654 12.206 12.330 1.00 0.00 H new ATOM 77 N LEU A 6 0.462 8.787 9.910 1.00 0.00 N ATOM 78 CA LEU A 6 -0.838 8.131 9.815 1.00 0.00 C ATOM 79 C LEU A 6 -0.697 6.791 9.098 1.00 0.00 C ATOM 80 O LEU A 6 -0.883 6.700 7.882 1.00 0.00 O ATOM 81 CB LEU A 6 -1.844 9.023 9.079 1.00 0.00 C ATOM 82 CG LEU A 6 -2.255 10.299 9.820 1.00 0.00 C ATOM 83 CD1 LEU A 6 -1.161 11.354 9.734 1.00 0.00 C ATOM 84 CD2 LEU A 6 -3.561 10.839 9.260 1.00 0.00 C ATOM 0 H LEU A 6 0.705 9.355 9.098 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.211 7.956 10.824 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.418 9.304 8.116 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.740 8.438 8.873 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.403 10.050 10.871 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.477 12.250 10.268 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.246 10.967 10.184 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.975 11.601 8.689 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.840 11.746 9.797 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.436 11.068 8.202 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.345 10.091 9.379 1.00 0.00 H new ATOM 96 N SER A 7 -0.352 5.757 9.862 1.00 0.00 N ATOM 97 CA SER A 7 -0.167 4.417 9.310 1.00 0.00 C ATOM 98 C SER A 7 -1.158 3.397 9.892 1.00 0.00 C ATOM 99 O SER A 7 -1.069 2.204 9.597 1.00 0.00 O ATOM 100 CB SER A 7 1.273 3.955 9.546 1.00 0.00 C ATOM 101 OG SER A 7 2.185 4.721 8.780 1.00 0.00 O ATOM 0 H SER A 7 -0.195 5.822 10.868 1.00 0.00 H new ATOM 0 HA SER A 7 -0.366 4.474 8.240 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.518 4.043 10.604 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.368 2.901 9.284 1.00 0.00 H new ATOM 0 HG SER A 7 2.581 5.418 9.344 1.00 0.00 H new ATOM 107 N LYS A 8 -2.105 3.869 10.710 1.00 0.00 N ATOM 108 CA LYS A 8 -3.108 2.994 11.316 1.00 0.00 C ATOM 109 C LYS A 8 -4.410 2.989 10.506 1.00 0.00 C ATOM 110 O LYS A 8 -5.173 2.023 10.561 1.00 0.00 O ATOM 111 CB LYS A 8 -3.388 3.429 12.759 1.00 0.00 C ATOM 112 CG LYS A 8 -2.162 3.385 13.662 1.00 0.00 C ATOM 113 CD LYS A 8 -1.546 1.994 13.717 1.00 0.00 C ATOM 114 CE LYS A 8 -2.470 0.994 14.397 1.00 0.00 C ATOM 115 NZ LYS A 8 -1.826 -0.339 14.563 1.00 0.00 N ATOM 0 H LYS A 8 -2.196 4.852 10.966 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.709 1.980 11.317 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.787 4.443 12.752 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.161 2.786 13.179 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.420 4.097 13.301 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.441 3.698 14.668 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.324 1.654 12.705 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.598 2.037 14.254 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.764 1.378 15.374 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.382 0.885 13.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.483 -0.985 15.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.583 -0.726 13.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.961 -0.238 15.131 1.00 0.00 H new ATOM 129 N THR A 9 -4.659 4.071 9.759 1.00 0.00 N ATOM 130 CA THR A 9 -5.866 4.184 8.939 1.00 0.00 C ATOM 131 C THR A 9 -5.817 3.221 7.750 1.00 0.00 C ATOM 132 O THR A 9 -5.129 3.477 6.759 1.00 0.00 O ATOM 133 CB THR A 9 -6.064 5.626 8.422 1.00 0.00 C ATOM 134 OG1 THR A 9 -4.900 6.060 7.706 1.00 0.00 O ATOM 135 CG2 THR A 9 -6.340 6.583 9.574 1.00 0.00 C ATOM 0 H THR A 9 -4.039 4.880 9.707 1.00 0.00 H new ATOM 0 HA THR A 9 -6.710 3.921 9.577 1.00 0.00 H new ATOM 0 HB THR A 9 -6.923 5.629 7.752 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.593 5.342 7.114 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.476 7.592 9.184 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.244 6.271 10.097 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.498 6.572 10.266 1.00 0.00 H new ATOM 143 N SER A 10 -6.555 2.115 7.855 1.00 0.00 N ATOM 144 CA SER A 10 -6.588 1.105 6.794 1.00 0.00 C ATOM 145 C SER A 10 -7.613 1.455 5.715 1.00 0.00 C ATOM 146 O SER A 10 -8.408 2.384 5.870 1.00 0.00 O ATOM 147 CB SER A 10 -6.908 -0.275 7.379 1.00 0.00 C ATOM 148 OG SER A 10 -5.996 -0.623 8.408 1.00 0.00 O ATOM 0 H SER A 10 -7.138 1.895 8.663 1.00 0.00 H new ATOM 0 HA SER A 10 -5.601 1.084 6.333 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.924 -0.278 7.774 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.871 -1.025 6.589 1.00 0.00 H new ATOM 0 HG SER A 10 -6.226 -1.507 8.763 1.00 0.00 H new ATOM 154 N MET A 11 -7.582 0.694 4.620 1.00 0.00 N ATOM 155 CA MET A 11 -8.500 0.898 3.503 1.00 0.00 C ATOM 156 C MET A 11 -9.037 -0.443 3.008 1.00 0.00 C ATOM 157 O MET A 11 -8.313 -1.439 2.989 1.00 0.00 O ATOM 158 CB MET A 11 -7.798 1.634 2.360 1.00 0.00 C ATOM 159 CG MET A 11 -8.714 1.983 1.196 1.00 0.00 C ATOM 160 SD MET A 11 -10.044 3.107 1.666 1.00 0.00 S ATOM 161 CE MET A 11 -10.917 3.264 0.111 1.00 0.00 C ATOM 0 H MET A 11 -6.925 -0.074 4.485 1.00 0.00 H new ATOM 0 HA MET A 11 -9.335 1.507 3.850 1.00 0.00 H new ATOM 0 HB2 MET A 11 -7.356 2.551 2.749 1.00 0.00 H new ATOM 0 HB3 MET A 11 -6.979 1.016 1.992 1.00 0.00 H new ATOM 0 HG2 MET A 11 -8.125 2.438 0.400 1.00 0.00 H new ATOM 0 HG3 MET A 11 -9.145 1.067 0.791 1.00 0.00 H new ATOM 0 HE1 MET A 11 -11.770 3.931 0.238 1.00 0.00 H new ATOM 0 HE2 MET A 11 -10.246 3.674 -0.643 1.00 0.00 H new ATOM 0 HE3 MET A 11 -11.268 2.283 -0.210 1.00 0.00 H new ATOM 171 N THR A 12 -10.303 -0.457 2.597 1.00 0.00 N ATOM 172 CA THR A 12 -10.935 -1.680 2.114 1.00 0.00 C ATOM 173 C THR A 12 -10.936 -1.756 0.587 1.00 0.00 C ATOM 174 O THR A 12 -11.476 -0.879 -0.090 1.00 0.00 O ATOM 175 CB THR A 12 -12.387 -1.803 2.624 1.00 0.00 C ATOM 176 OG1 THR A 12 -12.410 -1.768 4.057 1.00 0.00 O ATOM 177 CG2 THR A 12 -13.029 -3.094 2.133 1.00 0.00 C ATOM 0 H THR A 12 -10.909 0.363 2.589 1.00 0.00 H new ATOM 0 HA THR A 12 -10.343 -2.506 2.507 1.00 0.00 H new ATOM 0 HB THR A 12 -12.957 -0.961 2.231 1.00 0.00 H new ATOM 0 HG1 THR A 12 -13.335 -1.845 4.371 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.051 -3.157 2.506 1.00 0.00 H new ATOM 0 HG22 THR A 12 -13.039 -3.104 1.043 1.00 0.00 H new ATOM 0 HG23 THR A 12 -12.457 -3.947 2.498 1.00 0.00 H new ATOM 185 N PHE A 13 -10.321 -2.815 0.062 1.00 0.00 N ATOM 186 CA PHE A 13 -10.261 -3.050 -1.377 1.00 0.00 C ATOM 187 C PHE A 13 -11.336 -4.051 -1.780 1.00 0.00 C ATOM 188 O PHE A 13 -11.710 -4.923 -0.993 1.00 0.00 O ATOM 189 CB PHE A 13 -8.877 -3.566 -1.784 1.00 0.00 C ATOM 190 CG PHE A 13 -7.828 -2.493 -1.871 1.00 0.00 C ATOM 191 CD1 PHE A 13 -8.135 -1.232 -2.364 1.00 0.00 C ATOM 192 CD2 PHE A 13 -6.531 -2.747 -1.462 1.00 0.00 C ATOM 193 CE1 PHE A 13 -7.167 -0.249 -2.443 1.00 0.00 C ATOM 194 CE2 PHE A 13 -5.560 -1.769 -1.538 1.00 0.00 C ATOM 195 CZ PHE A 13 -5.879 -0.518 -2.029 1.00 0.00 C ATOM 0 H PHE A 13 -9.853 -3.529 0.620 1.00 0.00 H new ATOM 0 HA PHE A 13 -10.438 -2.107 -1.893 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.554 -4.318 -1.064 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -8.955 -4.063 -2.751 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -9.142 -1.017 -2.690 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.275 -3.723 -1.078 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -7.418 0.728 -2.828 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.552 -1.982 -1.214 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.121 0.249 -2.089 1.00 0.00 H new ATOM 205 N GLN A 14 -11.826 -3.924 -3.010 1.00 0.00 N ATOM 206 CA GLN A 14 -12.864 -4.814 -3.516 1.00 0.00 C ATOM 207 C GLN A 14 -12.410 -5.508 -4.801 1.00 0.00 C ATOM 208 O GLN A 14 -12.336 -4.882 -5.858 1.00 0.00 O ATOM 209 CB GLN A 14 -14.157 -4.030 -3.767 1.00 0.00 C ATOM 210 CG GLN A 14 -15.325 -4.895 -4.220 1.00 0.00 C ATOM 211 CD GLN A 14 -15.735 -5.922 -3.179 1.00 0.00 C ATOM 212 OE1 GLN A 14 -15.243 -7.051 -3.179 1.00 0.00 O ATOM 213 NE2 GLN A 14 -16.640 -5.537 -2.284 1.00 0.00 N ATOM 0 H GLN A 14 -11.520 -3.213 -3.674 1.00 0.00 H new ATOM 0 HA GLN A 14 -13.053 -5.579 -2.763 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -14.437 -3.508 -2.852 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -13.967 -3.268 -4.523 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -16.178 -4.256 -4.448 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -15.055 -5.408 -5.143 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -17.022 -4.592 -2.320 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -16.952 -6.187 -1.562 1.00 0.00 H new ATOM 222 N PRO A 15 -12.094 -6.816 -4.719 1.00 0.00 N ATOM 223 CA PRO A 15 -11.657 -7.610 -5.873 1.00 0.00 C ATOM 224 C PRO A 15 -12.577 -7.451 -7.079 1.00 0.00 C ATOM 225 O PRO A 15 -13.781 -7.229 -6.930 1.00 0.00 O ATOM 226 CB PRO A 15 -11.701 -9.059 -5.360 1.00 0.00 C ATOM 227 CG PRO A 15 -12.390 -9.004 -4.038 1.00 0.00 C ATOM 228 CD PRO A 15 -12.140 -7.631 -3.498 1.00 0.00 C ATOM 0 HA PRO A 15 -10.673 -7.296 -6.222 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -12.240 -9.703 -6.055 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -10.696 -9.469 -5.260 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -13.458 -9.192 -4.147 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -12.000 -9.766 -3.363 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -12.934 -7.309 -2.824 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -11.206 -7.578 -2.939 1.00 0.00 H new ATOM 236 N LYS A 16 -12.001 -7.572 -8.274 1.00 0.00 N ATOM 237 CA LYS A 16 -12.764 -7.447 -9.513 1.00 0.00 C ATOM 238 C LYS A 16 -13.647 -8.675 -9.730 1.00 0.00 C ATOM 239 O LYS A 16 -14.791 -8.557 -10.171 1.00 0.00 O ATOM 240 CB LYS A 16 -11.820 -7.271 -10.707 1.00 0.00 C ATOM 241 CG LYS A 16 -10.967 -6.015 -10.639 1.00 0.00 C ATOM 242 CD LYS A 16 -11.817 -4.755 -10.664 1.00 0.00 C ATOM 243 CE LYS A 16 -10.954 -3.505 -10.657 1.00 0.00 C ATOM 244 NZ LYS A 16 -11.773 -2.263 -10.601 1.00 0.00 N ATOM 0 H LYS A 16 -11.007 -7.757 -8.410 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.401 -6.567 -9.430 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.165 -8.140 -10.771 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -12.410 -7.248 -11.623 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.367 -6.031 -9.729 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.272 -6.002 -11.478 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -12.449 -4.758 -11.552 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.482 -4.745 -9.800 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.280 -3.534 -9.801 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.332 -3.489 -11.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.483 -1.621 -11.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.778 -2.505 -10.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -11.631 -1.794 -9.683 1.00 0.00 H new ATOM 258 N LYS A 17 -13.104 -9.852 -9.411 1.00 0.00 N ATOM 259 CA LYS A 17 -13.830 -11.109 -9.572 1.00 0.00 C ATOM 260 C LYS A 17 -14.334 -11.628 -8.224 1.00 0.00 C ATOM 261 O LYS A 17 -13.960 -11.115 -7.168 1.00 0.00 O ATOM 262 CB LYS A 17 -12.931 -12.165 -10.232 1.00 0.00 C ATOM 263 CG LYS A 17 -12.381 -11.749 -11.592 1.00 0.00 C ATOM 264 CD LYS A 17 -11.141 -10.875 -11.458 1.00 0.00 C ATOM 265 CE LYS A 17 -10.644 -10.397 -12.814 1.00 0.00 C ATOM 266 NZ LYS A 17 -9.444 -9.523 -12.691 1.00 0.00 N ATOM 0 H LYS A 17 -12.160 -9.958 -9.039 1.00 0.00 H new ATOM 0 HA LYS A 17 -14.690 -10.919 -10.214 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -12.097 -12.385 -9.566 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -13.498 -13.089 -10.348 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -12.138 -12.639 -12.173 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -13.149 -11.208 -12.144 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.368 -10.014 -10.829 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.352 -11.436 -10.958 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.403 -11.259 -13.436 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.440 -9.851 -13.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.969 -9.454 -13.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.736 -8.575 -12.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.788 -9.930 -11.994 1.00 0.00 H new ATOM 280 N ALA A 18 -15.182 -12.655 -8.276 1.00 0.00 N ATOM 281 CA ALA A 18 -15.745 -13.255 -7.067 1.00 0.00 C ATOM 282 C ALA A 18 -14.718 -14.129 -6.345 1.00 0.00 C ATOM 283 O ALA A 18 -14.689 -14.169 -5.113 1.00 0.00 O ATOM 284 CB ALA A 18 -16.980 -14.072 -7.415 1.00 0.00 C ATOM 0 H ALA A 18 -15.495 -13.089 -9.144 1.00 0.00 H new ATOM 0 HA ALA A 18 -16.028 -12.447 -6.392 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -17.391 -14.514 -6.508 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -17.727 -13.425 -7.874 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -16.708 -14.863 -8.113 1.00 0.00 H new ATOM 290 N SER A 19 -13.879 -14.826 -7.118 1.00 0.00 N ATOM 291 CA SER A 19 -12.847 -15.700 -6.556 1.00 0.00 C ATOM 292 C SER A 19 -11.921 -14.937 -5.604 1.00 0.00 C ATOM 293 O SER A 19 -11.498 -15.474 -4.580 1.00 0.00 O ATOM 294 CB SER A 19 -12.025 -16.339 -7.680 1.00 0.00 C ATOM 295 OG SER A 19 -11.075 -17.257 -7.164 1.00 0.00 O ATOM 0 H SER A 19 -13.896 -14.801 -8.138 1.00 0.00 H new ATOM 0 HA SER A 19 -13.350 -16.481 -5.985 1.00 0.00 H new ATOM 0 HB2 SER A 19 -12.691 -16.852 -8.374 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.512 -15.561 -8.246 1.00 0.00 H new ATOM 0 HG SER A 19 -10.566 -17.651 -7.903 1.00 0.00 H new ATOM 301 N LEU A 20 -11.610 -13.686 -5.951 1.00 0.00 N ATOM 302 CA LEU A 20 -10.737 -12.854 -5.129 1.00 0.00 C ATOM 303 C LEU A 20 -11.480 -12.337 -3.893 1.00 0.00 C ATOM 304 O LEU A 20 -12.695 -12.136 -3.926 1.00 0.00 O ATOM 305 CB LEU A 20 -10.199 -11.682 -5.950 1.00 0.00 C ATOM 306 CG LEU A 20 -9.439 -12.064 -7.223 1.00 0.00 C ATOM 307 CD1 LEU A 20 -9.115 -10.823 -8.040 1.00 0.00 C ATOM 308 CD2 LEU A 20 -8.166 -12.825 -6.880 1.00 0.00 C ATOM 0 H LEU A 20 -11.951 -13.229 -6.797 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.900 -13.466 -4.793 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.035 -11.040 -6.226 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.538 -11.090 -5.317 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.076 -12.716 -7.821 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.575 -11.112 -8.942 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.040 -10.318 -8.317 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.497 -10.148 -7.447 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.640 -13.087 -7.798 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.524 -12.199 -6.260 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.421 -13.734 -6.336 1.00 0.00 H new ATOM 320 N GLN A 21 -10.732 -12.112 -2.810 1.00 0.00 N ATOM 321 CA GLN A 21 -11.307 -11.635 -1.550 1.00 0.00 C ATOM 322 C GLN A 21 -10.833 -10.220 -1.214 1.00 0.00 C ATOM 323 O GLN A 21 -9.666 -9.883 -1.423 1.00 0.00 O ATOM 324 CB GLN A 21 -10.937 -12.585 -0.405 1.00 0.00 C ATOM 325 CG GLN A 21 -11.929 -13.720 -0.187 1.00 0.00 C ATOM 326 CD GLN A 21 -12.046 -14.650 -1.382 1.00 0.00 C ATOM 327 OE1 GLN A 21 -11.274 -15.598 -1.523 1.00 0.00 O ATOM 328 NE2 GLN A 21 -13.026 -14.393 -2.243 1.00 0.00 N ATOM 0 H GLN A 21 -9.722 -12.253 -2.781 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.390 -11.612 -1.672 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -9.954 -13.011 -0.605 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -10.853 -12.009 0.517 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -11.625 -14.297 0.686 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -12.910 -13.299 0.035 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -13.644 -13.596 -2.089 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -13.160 -14.992 -3.057 1.00 0.00 H new ATOM 337 N PRO A 22 -11.740 -9.377 -0.674 1.00 0.00 N ATOM 338 CA PRO A 22 -11.423 -7.989 -0.296 1.00 0.00 C ATOM 339 C PRO A 22 -10.219 -7.895 0.644 1.00 0.00 C ATOM 340 O PRO A 22 -9.935 -8.827 1.399 1.00 0.00 O ATOM 341 CB PRO A 22 -12.695 -7.516 0.415 1.00 0.00 C ATOM 342 CG PRO A 22 -13.778 -8.372 -0.142 1.00 0.00 C ATOM 343 CD PRO A 22 -13.149 -9.711 -0.397 1.00 0.00 C ATOM 0 HA PRO A 22 -11.150 -7.386 -1.162 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -12.612 -7.634 1.495 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -12.887 -6.460 0.224 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -14.609 -8.457 0.558 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.179 -7.947 -1.062 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -13.244 -10.371 0.465 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -13.615 -10.220 -1.241 1.00 0.00 H new ATOM 351 N LEU A 23 -9.517 -6.760 0.593 1.00 0.00 N ATOM 352 CA LEU A 23 -8.339 -6.545 1.432 1.00 0.00 C ATOM 353 C LEU A 23 -8.487 -5.281 2.274 1.00 0.00 C ATOM 354 O LEU A 23 -8.740 -4.199 1.743 1.00 0.00 O ATOM 355 CB LEU A 23 -7.085 -6.449 0.559 1.00 0.00 C ATOM 356 CG LEU A 23 -5.757 -6.709 1.279 1.00 0.00 C ATOM 357 CD1 LEU A 23 -4.643 -6.947 0.271 1.00 0.00 C ATOM 358 CD2 LEU A 23 -5.400 -5.546 2.196 1.00 0.00 C ATOM 0 H LEU A 23 -9.745 -5.978 -0.020 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.244 -7.395 2.108 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.179 -7.161 -0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.048 -5.454 0.115 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.873 -7.604 1.890 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.707 -7.130 0.799 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.888 -7.813 -0.344 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.535 -6.069 -0.366 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.454 -5.754 2.696 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.307 -4.634 1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.184 -5.417 2.942 1.00 0.00 H new ATOM 370 N THR A 24 -8.315 -5.423 3.589 1.00 0.00 N ATOM 371 CA THR A 24 -8.432 -4.290 4.501 1.00 0.00 C ATOM 372 C THR A 24 -7.218 -4.187 5.427 1.00 0.00 C ATOM 373 O THR A 24 -7.156 -4.864 6.456 1.00 0.00 O ATOM 374 CB THR A 24 -9.719 -4.375 5.349 1.00 0.00 C ATOM 375 OG1 THR A 24 -10.867 -4.447 4.494 1.00 0.00 O ATOM 376 CG2 THR A 24 -9.848 -3.168 6.269 1.00 0.00 C ATOM 0 H THR A 24 -8.095 -6.310 4.043 1.00 0.00 H new ATOM 0 HA THR A 24 -8.479 -3.395 3.881 1.00 0.00 H new ATOM 0 HB THR A 24 -9.660 -5.275 5.961 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.279 -3.560 4.424 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.763 -3.253 6.855 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.990 -3.129 6.940 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.883 -2.257 5.671 1.00 0.00 H new ATOM 384 N ILE A 25 -6.253 -3.348 5.052 1.00 0.00 N ATOM 385 CA ILE A 25 -5.037 -3.173 5.849 1.00 0.00 C ATOM 386 C ILE A 25 -4.432 -1.782 5.639 1.00 0.00 C ATOM 387 O ILE A 25 -4.789 -1.079 4.691 1.00 0.00 O ATOM 388 CB ILE A 25 -3.995 -4.264 5.503 1.00 0.00 C ATOM 389 CG1 ILE A 25 -3.002 -4.448 6.654 1.00 0.00 C ATOM 390 CG2 ILE A 25 -3.261 -3.924 4.212 1.00 0.00 C ATOM 391 CD1 ILE A 25 -2.218 -5.740 6.570 1.00 0.00 C ATOM 0 H ILE A 25 -6.288 -2.781 4.205 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.313 -3.270 6.899 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.527 -5.204 5.354 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.306 -3.609 6.661 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.544 -4.421 7.599 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.534 -4.705 3.990 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.978 -3.852 3.394 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.745 -2.971 4.327 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.534 -5.806 7.416 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.906 -6.585 6.593 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.649 -5.761 5.641 1.00 0.00 H new ATOM 403 N SER A 26 -3.516 -1.388 6.528 1.00 0.00 N ATOM 404 CA SER A 26 -2.874 -0.079 6.437 1.00 0.00 C ATOM 405 C SER A 26 -1.348 -0.189 6.367 1.00 0.00 C ATOM 406 O SER A 26 -0.784 -1.284 6.347 1.00 0.00 O ATOM 407 CB SER A 26 -3.278 0.786 7.636 1.00 0.00 C ATOM 408 OG SER A 26 -2.870 2.131 7.455 1.00 0.00 O ATOM 0 H SER A 26 -3.205 -1.957 7.316 1.00 0.00 H new ATOM 0 HA SER A 26 -3.213 0.388 5.512 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.359 0.745 7.770 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.829 0.386 8.545 1.00 0.00 H new ATOM 0 HG SER A 26 -3.606 2.646 7.062 1.00 0.00 H new ATOM 414 N LEU A 27 -0.700 0.976 6.329 1.00 0.00 N ATOM 415 CA LEU A 27 0.758 1.091 6.263 1.00 0.00 C ATOM 416 C LEU A 27 1.455 0.357 7.413 1.00 0.00 C ATOM 417 O LEU A 27 2.247 -0.555 7.185 1.00 0.00 O ATOM 418 CB LEU A 27 1.151 2.572 6.298 1.00 0.00 C ATOM 419 CG LEU A 27 0.466 3.454 5.248 1.00 0.00 C ATOM 420 CD1 LEU A 27 0.852 4.911 5.443 1.00 0.00 C ATOM 421 CD2 LEU A 27 0.820 2.992 3.841 1.00 0.00 C ATOM 0 H LEU A 27 -1.178 1.877 6.343 1.00 0.00 H new ATOM 0 HA LEU A 27 1.082 0.626 5.332 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.923 2.969 7.287 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.230 2.648 6.165 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.613 3.362 5.376 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.357 5.523 4.689 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.544 5.239 6.436 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.932 5.018 5.344 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.323 3.632 3.112 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.899 3.051 3.699 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.492 1.962 3.703 1.00 0.00 H new ATOM 433 N ASP A 28 1.139 0.750 8.646 1.00 0.00 N ATOM 434 CA ASP A 28 1.763 0.158 9.831 1.00 0.00 C ATOM 435 C ASP A 28 1.406 -1.319 9.977 1.00 0.00 C ATOM 436 O ASP A 28 2.256 -2.134 10.340 1.00 0.00 O ATOM 437 CB ASP A 28 1.349 0.930 11.090 1.00 0.00 C ATOM 438 CG ASP A 28 1.865 0.292 12.366 1.00 0.00 C ATOM 439 OD1 ASP A 28 3.033 0.547 12.729 1.00 0.00 O ATOM 440 OD2 ASP A 28 1.099 -0.460 13.006 1.00 0.00 O ATOM 0 H ASP A 28 0.454 1.477 8.852 1.00 0.00 H new ATOM 0 HA ASP A 28 2.844 0.228 9.706 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.722 1.952 11.023 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.261 0.990 11.133 1.00 0.00 H new ATOM 445 N GLU A 29 0.151 -1.659 9.691 1.00 0.00 N ATOM 446 CA GLU A 29 -0.315 -3.039 9.800 1.00 0.00 C ATOM 447 C GLU A 29 0.233 -3.931 8.679 1.00 0.00 C ATOM 448 O GLU A 29 0.123 -5.155 8.762 1.00 0.00 O ATOM 449 CB GLU A 29 -1.847 -3.088 9.792 1.00 0.00 C ATOM 450 CG GLU A 29 -2.494 -2.528 11.051 1.00 0.00 C ATOM 451 CD GLU A 29 -2.622 -1.016 11.026 1.00 0.00 C ATOM 452 OE1 GLU A 29 -1.683 -0.332 11.480 1.00 0.00 O ATOM 453 OE2 GLU A 29 -3.665 -0.516 10.554 1.00 0.00 O ATOM 0 H GLU A 29 -0.561 -0.997 9.382 1.00 0.00 H new ATOM 0 HA GLU A 29 0.062 -3.426 10.747 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.213 -2.531 8.930 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.166 -4.122 9.662 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.483 -2.969 11.172 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.904 -2.823 11.919 1.00 0.00 H new ATOM 460 N LEU A 30 0.829 -3.332 7.637 1.00 0.00 N ATOM 461 CA LEU A 30 1.354 -4.118 6.519 1.00 0.00 C ATOM 462 C LEU A 30 2.854 -3.885 6.258 1.00 0.00 C ATOM 463 O LEU A 30 3.377 -4.326 5.235 1.00 0.00 O ATOM 464 CB LEU A 30 0.540 -3.823 5.253 1.00 0.00 C ATOM 465 CG LEU A 30 0.868 -4.687 4.028 1.00 0.00 C ATOM 466 CD1 LEU A 30 0.741 -6.166 4.358 1.00 0.00 C ATOM 467 CD2 LEU A 30 -0.040 -4.322 2.865 1.00 0.00 C ATOM 0 H LEU A 30 0.956 -2.324 7.548 1.00 0.00 H new ATOM 0 HA LEU A 30 1.253 -5.168 6.795 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.517 -3.946 5.488 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.687 -2.777 4.985 1.00 0.00 H new ATOM 0 HG LEU A 30 1.901 -4.491 3.739 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.978 -6.758 3.474 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.433 -6.420 5.161 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.279 -6.382 4.676 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.205 -4.943 2.003 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.079 -4.488 3.149 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.102 -3.272 2.608 1.00 0.00 H new ATOM 479 N PHE A 31 3.552 -3.219 7.187 1.00 0.00 N ATOM 480 CA PHE A 31 4.989 -2.983 7.003 1.00 0.00 C ATOM 481 C PHE A 31 5.773 -3.305 8.276 1.00 0.00 C ATOM 482 O PHE A 31 5.328 -2.998 9.383 1.00 0.00 O ATOM 483 CB PHE A 31 5.282 -1.544 6.550 1.00 0.00 C ATOM 484 CG PHE A 31 4.635 -1.154 5.246 1.00 0.00 C ATOM 485 CD1 PHE A 31 4.648 -2.012 4.159 1.00 0.00 C ATOM 486 CD2 PHE A 31 4.015 0.078 5.112 1.00 0.00 C ATOM 487 CE1 PHE A 31 4.054 -1.649 2.966 1.00 0.00 C ATOM 488 CE2 PHE A 31 3.420 0.445 3.921 1.00 0.00 C ATOM 489 CZ PHE A 31 3.440 -0.421 2.847 1.00 0.00 C ATOM 0 H PHE A 31 3.159 -2.844 8.050 1.00 0.00 H new ATOM 0 HA PHE A 31 5.318 -3.657 6.212 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.947 -0.857 7.327 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.361 -1.419 6.457 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.128 -2.976 4.245 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.997 0.760 5.949 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.071 -2.328 2.126 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.940 1.408 3.830 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.975 -0.137 1.914 1.00 0.00 H new ATOM 499 N SER A 32 6.942 -3.923 8.104 1.00 0.00 N ATOM 500 CA SER A 32 7.795 -4.298 9.234 1.00 0.00 C ATOM 501 C SER A 32 9.250 -3.882 8.991 1.00 0.00 C ATOM 502 O SER A 32 10.177 -4.526 9.491 1.00 0.00 O ATOM 503 CB SER A 32 7.729 -5.815 9.434 1.00 0.00 C ATOM 504 OG SER A 32 6.401 -6.243 9.684 1.00 0.00 O ATOM 0 H SER A 32 7.321 -4.175 7.191 1.00 0.00 H new ATOM 0 HA SER A 32 7.434 -3.782 10.124 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.115 -6.318 8.547 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.369 -6.102 10.268 1.00 0.00 H new ATOM 0 HG SER A 32 6.388 -7.215 9.806 1.00 0.00 H new ATOM 510 N SER A 33 9.449 -2.797 8.237 1.00 0.00 N ATOM 511 CA SER A 33 10.794 -2.310 7.933 1.00 0.00 C ATOM 512 C SER A 33 10.764 -0.880 7.397 1.00 0.00 C ATOM 513 O SER A 33 9.893 -0.526 6.598 1.00 0.00 O ATOM 514 CB SER A 33 11.477 -3.235 6.921 1.00 0.00 C ATOM 515 OG SER A 33 12.764 -2.753 6.573 1.00 0.00 O ATOM 0 H SER A 33 8.697 -2.242 7.828 1.00 0.00 H new ATOM 0 HA SER A 33 11.364 -2.309 8.862 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.562 -4.237 7.341 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.862 -3.316 6.025 1.00 0.00 H new ATOM 0 HG SER A 33 13.178 -3.363 5.927 1.00 0.00 H new ATOM 521 N ARG A 34 11.720 -0.061 7.842 1.00 0.00 N ATOM 522 CA ARG A 34 11.813 1.330 7.399 1.00 0.00 C ATOM 523 C ARG A 34 12.103 1.401 5.900 1.00 0.00 C ATOM 524 O ARG A 34 11.406 2.098 5.161 1.00 0.00 O ATOM 525 CB ARG A 34 12.903 2.074 8.178 1.00 0.00 C ATOM 526 CG ARG A 34 12.596 2.235 9.659 1.00 0.00 C ATOM 527 CD ARG A 34 13.676 3.039 10.366 1.00 0.00 C ATOM 528 NE ARG A 34 13.349 3.288 11.770 1.00 0.00 N ATOM 529 CZ ARG A 34 13.944 4.218 12.523 1.00 0.00 C ATOM 530 NH1 ARG A 34 14.899 4.993 12.014 1.00 0.00 N ATOM 531 NH2 ARG A 34 13.580 4.373 13.791 1.00 0.00 N ATOM 0 H ARG A 34 12.440 -0.338 8.509 1.00 0.00 H new ATOM 0 HA ARG A 34 10.854 1.810 7.593 1.00 0.00 H new ATOM 0 HB2 ARG A 34 13.846 1.538 8.068 1.00 0.00 H new ATOM 0 HB3 ARG A 34 13.044 3.060 7.736 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.633 2.731 9.781 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.509 1.252 10.123 1.00 0.00 H new ATOM 0 HD2 ARG A 34 14.624 2.504 10.305 1.00 0.00 H new ATOM 0 HD3 ARG A 34 13.813 3.991 9.852 1.00 0.00 H new ATOM 0 HE ARG A 34 12.622 2.717 12.201 1.00 0.00 H new ATOM 0 HH11 ARG A 34 15.183 4.880 11.041 1.00 0.00 H new ATOM 0 HH12 ARG A 34 15.347 5.700 12.597 1.00 0.00 H new ATOM 0 HH21 ARG A 34 12.848 3.783 14.187 1.00 0.00 H new ATOM 0 HH22 ARG A 34 14.032 5.082 14.368 1.00 0.00 H new ATOM 545 N GLY A 35 13.134 0.673 5.461 1.00 0.00 N ATOM 546 CA GLY A 35 13.492 0.656 4.050 1.00 0.00 C ATOM 547 C GLY A 35 12.374 0.109 3.181 1.00 0.00 C ATOM 548 O GLY A 35 12.190 0.557 2.048 1.00 0.00 O ATOM 0 H GLY A 35 13.726 0.096 6.058 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.739 1.667 3.727 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.387 0.050 3.911 1.00 0.00 H new ATOM 552 N GLU A 36 11.627 -0.866 3.712 1.00 0.00 N ATOM 553 CA GLU A 36 10.501 -1.452 2.988 1.00 0.00 C ATOM 554 C GLU A 36 9.481 -0.365 2.651 1.00 0.00 C ATOM 555 O GLU A 36 8.944 -0.328 1.544 1.00 0.00 O ATOM 556 CB GLU A 36 9.847 -2.558 3.826 1.00 0.00 C ATOM 557 CG GLU A 36 8.580 -3.139 3.214 1.00 0.00 C ATOM 558 CD GLU A 36 8.832 -3.882 1.914 1.00 0.00 C ATOM 559 OE1 GLU A 36 8.796 -3.238 0.844 1.00 0.00 O ATOM 560 OE2 GLU A 36 9.060 -5.109 1.966 1.00 0.00 O ATOM 0 H GLU A 36 11.784 -1.263 4.638 1.00 0.00 H new ATOM 0 HA GLU A 36 10.866 -1.894 2.061 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.568 -3.362 3.972 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.611 -2.159 4.812 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.117 -3.818 3.930 1.00 0.00 H new ATOM 0 HG3 GLU A 36 7.869 -2.333 3.033 1.00 0.00 H new ATOM 567 N PHE A 37 9.227 0.522 3.622 1.00 0.00 N ATOM 568 CA PHE A 37 8.294 1.633 3.438 1.00 0.00 C ATOM 569 C PHE A 37 8.744 2.510 2.268 1.00 0.00 C ATOM 570 O PHE A 37 7.931 2.933 1.447 1.00 0.00 O ATOM 571 CB PHE A 37 8.212 2.466 4.722 1.00 0.00 C ATOM 572 CG PHE A 37 7.034 3.398 4.774 1.00 0.00 C ATOM 573 CD1 PHE A 37 7.075 4.627 4.136 1.00 0.00 C ATOM 574 CD2 PHE A 37 5.887 3.046 5.468 1.00 0.00 C ATOM 575 CE1 PHE A 37 5.993 5.487 4.188 1.00 0.00 C ATOM 576 CE2 PHE A 37 4.803 3.901 5.523 1.00 0.00 C ATOM 577 CZ PHE A 37 4.857 5.122 4.882 1.00 0.00 C ATOM 0 H PHE A 37 9.659 0.488 4.546 1.00 0.00 H new ATOM 0 HA PHE A 37 7.306 1.231 3.214 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.167 1.792 5.577 1.00 0.00 H new ATOM 0 HB3 PHE A 37 9.128 3.049 4.824 1.00 0.00 H new ATOM 0 HD1 PHE A 37 7.962 4.917 3.592 1.00 0.00 H new ATOM 0 HD2 PHE A 37 5.840 2.092 5.972 1.00 0.00 H new ATOM 0 HE1 PHE A 37 6.037 6.442 3.686 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.915 3.614 6.067 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.011 5.792 4.923 1.00 0.00 H new ATOM 587 N ILE A 38 10.045 2.801 2.219 1.00 0.00 N ATOM 588 CA ILE A 38 10.620 3.604 1.144 1.00 0.00 C ATOM 589 C ILE A 38 10.352 2.981 -0.228 1.00 0.00 C ATOM 590 O ILE A 38 9.853 3.658 -1.130 1.00 0.00 O ATOM 591 CB ILE A 38 12.146 3.773 1.329 1.00 0.00 C ATOM 592 CG1 ILE A 38 12.453 4.432 2.680 1.00 0.00 C ATOM 593 CG2 ILE A 38 12.741 4.592 0.190 1.00 0.00 C ATOM 594 CD1 ILE A 38 11.717 5.738 2.905 1.00 0.00 C ATOM 0 H ILE A 38 10.721 2.490 2.916 1.00 0.00 H new ATOM 0 HA ILE A 38 10.139 4.581 1.191 1.00 0.00 H new ATOM 0 HB ILE A 38 12.603 2.784 1.313 1.00 0.00 H new ATOM 0 HG12 ILE A 38 12.194 3.738 3.479 1.00 0.00 H new ATOM 0 HG13 ILE A 38 13.526 4.613 2.750 1.00 0.00 H new ATOM 0 HG21 ILE A 38 13.815 4.698 0.341 1.00 0.00 H new ATOM 0 HG22 ILE A 38 12.556 4.086 -0.757 1.00 0.00 H new ATOM 0 HG23 ILE A 38 12.278 5.579 0.171 1.00 0.00 H new ATOM 0 HD11 ILE A 38 11.985 6.143 3.881 1.00 0.00 H new ATOM 0 HD12 ILE A 38 11.994 6.450 2.128 1.00 0.00 H new ATOM 0 HD13 ILE A 38 10.642 5.561 2.869 1.00 0.00 H new ATOM 606 N SER A 39 10.683 1.691 -0.380 1.00 0.00 N ATOM 607 CA SER A 39 10.487 0.999 -1.658 1.00 0.00 C ATOM 608 C SER A 39 9.024 1.083 -2.090 1.00 0.00 C ATOM 609 O SER A 39 8.717 1.700 -3.112 1.00 0.00 O ATOM 610 CB SER A 39 10.943 -0.461 -1.567 1.00 0.00 C ATOM 611 OG SER A 39 12.315 -0.549 -1.220 1.00 0.00 O ATOM 0 H SER A 39 11.083 1.112 0.358 1.00 0.00 H new ATOM 0 HA SER A 39 11.099 1.494 -2.412 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.343 -0.987 -0.824 1.00 0.00 H new ATOM 0 HB3 SER A 39 10.774 -0.958 -2.522 1.00 0.00 H new ATOM 0 HG SER A 39 12.579 -1.491 -1.167 1.00 0.00 H new ATOM 617 N VAL A 40 8.136 0.433 -1.325 1.00 0.00 N ATOM 618 CA VAL A 40 6.700 0.394 -1.633 1.00 0.00 C ATOM 619 C VAL A 40 6.158 1.675 -2.273 1.00 0.00 C ATOM 620 O VAL A 40 5.275 1.601 -3.129 1.00 0.00 O ATOM 621 CB VAL A 40 5.849 0.046 -0.392 1.00 0.00 C ATOM 622 CG1 VAL A 40 6.116 -1.383 0.059 1.00 0.00 C ATOM 623 CG2 VAL A 40 6.109 1.021 0.743 1.00 0.00 C ATOM 0 H VAL A 40 8.391 -0.078 -0.480 1.00 0.00 H new ATOM 0 HA VAL A 40 6.610 -0.400 -2.374 1.00 0.00 H new ATOM 0 HB VAL A 40 4.799 0.130 -0.673 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.507 -1.608 0.934 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.862 -2.072 -0.747 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.170 -1.494 0.313 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.496 0.751 1.603 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.162 0.982 1.022 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.856 2.031 0.420 1.00 0.00 H new ATOM 633 N GLY A 41 6.658 2.848 -1.870 1.00 0.00 N ATOM 634 CA GLY A 41 6.179 4.092 -2.451 1.00 0.00 C ATOM 635 C GLY A 41 5.762 5.097 -1.392 1.00 0.00 C ATOM 636 O GLY A 41 4.731 5.755 -1.534 1.00 0.00 O ATOM 0 H GLY A 41 7.380 2.955 -1.157 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.962 4.526 -3.073 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.332 3.883 -3.105 1.00 0.00 H new ATOM 640 N GLY A 42 6.571 5.225 -0.334 1.00 0.00 N ATOM 641 CA GLY A 42 6.252 6.148 0.742 1.00 0.00 C ATOM 642 C GLY A 42 7.340 7.171 0.997 1.00 0.00 C ATOM 643 O GLY A 42 8.298 6.900 1.724 1.00 0.00 O ATOM 0 H GLY A 42 7.439 4.705 -0.207 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.324 6.667 0.503 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.074 5.582 1.656 1.00 0.00 H new ATOM 647 N ASP A 43 7.187 8.348 0.397 1.00 0.00 N ATOM 648 CA ASP A 43 8.124 9.447 0.615 1.00 0.00 C ATOM 649 C ASP A 43 7.730 10.157 1.911 1.00 0.00 C ATOM 650 O ASP A 43 8.379 9.971 2.942 1.00 0.00 O ATOM 651 CB ASP A 43 8.106 10.421 -0.570 1.00 0.00 C ATOM 652 CG ASP A 43 8.629 9.789 -1.846 1.00 0.00 C ATOM 653 OD1 ASP A 43 7.820 9.196 -2.591 1.00 0.00 O ATOM 654 OD2 ASP A 43 9.849 9.885 -2.099 1.00 0.00 O ATOM 0 H ASP A 43 6.424 8.566 -0.244 1.00 0.00 H new ATOM 0 HA ASP A 43 9.140 9.060 0.698 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.087 10.772 -0.733 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.709 11.296 -0.327 1.00 0.00 H new ATOM 659 N GLY A 44 6.671 10.965 1.860 1.00 0.00 N ATOM 660 CA GLY A 44 6.227 11.682 3.045 1.00 0.00 C ATOM 661 C GLY A 44 4.776 12.105 2.961 1.00 0.00 C ATOM 662 O GLY A 44 3.928 11.572 3.674 1.00 0.00 O ATOM 0 H GLY A 44 6.115 11.135 1.022 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.367 11.049 3.921 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.851 12.564 3.186 1.00 0.00 H new ATOM 666 N ARG A 45 4.489 13.069 2.091 1.00 0.00 N ATOM 667 CA ARG A 45 3.127 13.560 1.919 1.00 0.00 C ATOM 668 C ARG A 45 2.370 12.695 0.915 1.00 0.00 C ATOM 669 O ARG A 45 2.495 12.880 -0.297 1.00 0.00 O ATOM 670 CB ARG A 45 3.136 15.026 1.470 1.00 0.00 C ATOM 671 CG ARG A 45 3.639 15.993 2.536 1.00 0.00 C ATOM 672 CD ARG A 45 5.141 15.869 2.762 1.00 0.00 C ATOM 673 NE ARG A 45 5.909 16.082 1.533 1.00 0.00 N ATOM 674 CZ ARG A 45 7.177 15.696 1.367 1.00 0.00 C ATOM 675 NH1 ARG A 45 7.831 15.074 2.346 1.00 0.00 N ATOM 676 NH2 ARG A 45 7.796 15.934 0.215 1.00 0.00 N ATOM 0 H ARG A 45 5.181 13.524 1.495 1.00 0.00 H new ATOM 0 HA ARG A 45 2.615 13.499 2.879 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.762 15.121 0.583 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.126 15.314 1.180 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.401 17.014 2.239 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.115 15.803 3.473 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.454 16.594 3.513 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.365 14.880 3.161 1.00 0.00 H new ATOM 0 HE ARG A 45 5.447 16.554 0.756 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.364 14.888 3.233 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.799 14.784 2.208 1.00 0.00 H new ATOM 0 HH21 ARG A 45 7.303 16.411 -0.540 1.00 0.00 H new ATOM 0 HH22 ARG A 45 8.764 15.640 0.086 1.00 0.00 H new ATOM 690 N MET A 46 1.593 11.742 1.431 1.00 0.00 N ATOM 691 CA MET A 46 0.816 10.838 0.586 1.00 0.00 C ATOM 692 C MET A 46 -0.585 11.397 0.338 1.00 0.00 C ATOM 693 O MET A 46 -1.026 12.319 1.028 1.00 0.00 O ATOM 694 CB MET A 46 0.724 9.456 1.241 1.00 0.00 C ATOM 695 CG MET A 46 0.337 8.345 0.278 1.00 0.00 C ATOM 696 SD MET A 46 1.526 8.142 -1.065 1.00 0.00 S ATOM 697 CE MET A 46 3.040 7.877 -0.146 1.00 0.00 C ATOM 0 H MET A 46 1.486 11.577 2.432 1.00 0.00 H new ATOM 0 HA MET A 46 1.322 10.744 -0.375 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.686 9.214 1.693 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.007 9.495 2.049 1.00 0.00 H new ATOM 0 HG2 MET A 46 0.252 7.407 0.827 1.00 0.00 H new ATOM 0 HG3 MET A 46 -0.646 8.559 -0.142 1.00 0.00 H new ATOM 0 HE1 MET A 46 3.885 7.859 -0.834 1.00 0.00 H new ATOM 0 HE2 MET A 46 3.175 8.685 0.574 1.00 0.00 H new ATOM 0 HE3 MET A 46 2.983 6.926 0.383 1.00 0.00 H new ATOM 707 N SER A 47 -1.282 10.835 -0.651 1.00 0.00 N ATOM 708 CA SER A 47 -2.626 11.289 -0.989 1.00 0.00 C ATOM 709 C SER A 47 -3.696 10.535 -0.197 1.00 0.00 C ATOM 710 O SER A 47 -4.326 11.093 0.701 1.00 0.00 O ATOM 711 CB SER A 47 -2.881 11.129 -2.494 1.00 0.00 C ATOM 712 OG SER A 47 -4.128 11.693 -2.866 1.00 0.00 O ATOM 0 H SER A 47 -0.937 10.068 -1.228 1.00 0.00 H new ATOM 0 HA SER A 47 -2.691 12.343 -0.721 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.080 11.610 -3.054 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.864 10.072 -2.758 1.00 0.00 H new ATOM 0 HG SER A 47 -4.264 11.579 -3.830 1.00 0.00 H new ATOM 718 N HIS A 48 -3.881 9.258 -0.543 1.00 0.00 N ATOM 719 CA HIS A 48 -4.899 8.404 0.068 1.00 0.00 C ATOM 720 C HIS A 48 -4.890 7.031 -0.599 1.00 0.00 C ATOM 721 O HIS A 48 -4.501 6.043 0.027 1.00 0.00 O ATOM 722 CB HIS A 48 -6.285 9.049 -0.083 1.00 0.00 C ATOM 723 CG HIS A 48 -7.417 8.147 0.307 1.00 0.00 C ATOM 724 ND1 HIS A 48 -7.679 7.791 1.614 1.00 0.00 N ATOM 725 CD2 HIS A 48 -8.354 7.525 -0.446 1.00 0.00 C ATOM 726 CE1 HIS A 48 -8.727 6.986 1.646 1.00 0.00 C ATOM 727 NE2 HIS A 48 -9.155 6.810 0.410 1.00 0.00 N ATOM 0 H HIS A 48 -3.326 8.787 -1.258 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.676 8.288 1.129 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -6.324 9.951 0.528 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.420 9.359 -1.119 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -8.453 7.581 -1.520 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -9.160 6.547 2.533 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -9.952 6.236 0.135 1.00 0.00 H new ATOM 736 N LYS A 49 -5.313 6.961 -1.862 1.00 0.00 N ATOM 737 CA LYS A 49 -5.296 5.699 -2.596 1.00 0.00 C ATOM 738 C LYS A 49 -3.859 5.198 -2.757 1.00 0.00 C ATOM 739 O LYS A 49 -3.618 3.993 -2.848 1.00 0.00 O ATOM 740 CB LYS A 49 -5.947 5.880 -3.969 1.00 0.00 C ATOM 741 CG LYS A 49 -7.443 5.600 -3.977 1.00 0.00 C ATOM 742 CD LYS A 49 -7.742 4.149 -3.625 1.00 0.00 C ATOM 743 CE LYS A 49 -9.238 3.875 -3.609 1.00 0.00 C ATOM 744 NZ LYS A 49 -9.542 2.463 -3.239 1.00 0.00 N ATOM 0 H LYS A 49 -5.668 7.757 -2.392 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.863 4.959 -2.032 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.775 6.901 -4.311 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.458 5.218 -4.683 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.941 6.258 -3.265 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.851 5.828 -4.961 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.259 3.491 -4.347 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.318 3.916 -2.648 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.722 4.548 -2.901 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.657 4.091 -4.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.572 2.318 -3.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -9.101 1.821 -3.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.165 2.264 -2.290 1.00 0.00 H new ATOM 758 N GLU A 50 -2.913 6.139 -2.788 1.00 0.00 N ATOM 759 CA GLU A 50 -1.495 5.828 -2.937 1.00 0.00 C ATOM 760 C GLU A 50 -0.952 5.065 -1.730 1.00 0.00 C ATOM 761 O GLU A 50 -0.381 3.985 -1.883 1.00 0.00 O ATOM 762 CB GLU A 50 -0.702 7.123 -3.123 1.00 0.00 C ATOM 763 CG GLU A 50 -1.081 7.902 -4.371 1.00 0.00 C ATOM 764 CD GLU A 50 -0.894 7.099 -5.646 1.00 0.00 C ATOM 765 OE1 GLU A 50 0.233 7.097 -6.186 1.00 0.00 O ATOM 766 OE2 GLU A 50 -1.873 6.470 -6.102 1.00 0.00 O ATOM 0 H GLU A 50 -3.111 7.137 -2.710 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.384 5.190 -3.814 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.852 7.758 -2.250 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.361 6.884 -3.164 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.122 8.217 -4.295 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.477 8.808 -4.426 1.00 0.00 H new ATOM 773 N ALA A 51 -1.140 5.632 -0.531 1.00 0.00 N ATOM 774 CA ALA A 51 -0.653 5.016 0.708 1.00 0.00 C ATOM 775 C ALA A 51 -0.994 3.532 0.767 1.00 0.00 C ATOM 776 O ALA A 51 -0.101 2.706 0.959 1.00 0.00 O ATOM 777 CB ALA A 51 -1.217 5.738 1.927 1.00 0.00 C ATOM 0 H ALA A 51 -1.627 6.518 -0.394 1.00 0.00 H new ATOM 0 HA ALA A 51 0.433 5.110 0.716 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.843 5.265 2.835 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.906 6.783 1.907 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.306 5.683 1.911 1.00 0.00 H new ATOM 783 N ILE A 52 -2.269 3.185 0.607 1.00 0.00 N ATOM 784 CA ILE A 52 -2.668 1.781 0.686 1.00 0.00 C ATOM 785 C ILE A 52 -1.940 0.959 -0.378 1.00 0.00 C ATOM 786 O ILE A 52 -1.414 -0.115 -0.079 1.00 0.00 O ATOM 787 CB ILE A 52 -4.194 1.600 0.564 1.00 0.00 C ATOM 788 CG1 ILE A 52 -4.920 2.551 1.523 1.00 0.00 C ATOM 789 CG2 ILE A 52 -4.584 0.154 0.841 1.00 0.00 C ATOM 790 CD1 ILE A 52 -4.663 2.262 2.988 1.00 0.00 C ATOM 0 H ILE A 52 -3.029 3.840 0.426 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.381 1.417 1.673 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.493 1.844 -0.455 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.613 3.574 1.306 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.992 2.493 1.334 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.665 0.045 0.750 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.092 -0.500 0.121 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.275 -0.119 1.850 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.211 2.977 3.602 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.996 1.251 3.223 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.596 2.349 3.194 1.00 0.00 H new ATOM 802 N LEU A 53 -1.922 1.456 -1.619 1.00 0.00 N ATOM 803 CA LEU A 53 -1.325 0.716 -2.736 1.00 0.00 C ATOM 804 C LEU A 53 0.093 0.218 -2.439 1.00 0.00 C ATOM 805 O LEU A 53 0.519 -0.797 -2.992 1.00 0.00 O ATOM 806 CB LEU A 53 -1.357 1.542 -4.025 1.00 0.00 C ATOM 807 CG LEU A 53 -0.925 0.803 -5.295 1.00 0.00 C ATOM 808 CD1 LEU A 53 -1.905 -0.313 -5.625 1.00 0.00 C ATOM 809 CD2 LEU A 53 -0.808 1.773 -6.461 1.00 0.00 C ATOM 0 H LEU A 53 -2.312 2.363 -1.875 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.940 -0.173 -2.876 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.370 1.916 -4.171 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.712 2.411 -3.895 1.00 0.00 H new ATOM 0 HG LEU A 53 0.054 0.357 -5.117 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.581 -0.826 -6.530 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.940 -1.023 -4.798 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.897 0.109 -5.783 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.500 1.231 -7.355 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.773 2.247 -6.638 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.066 2.537 -6.226 1.00 0.00 H new ATOM 821 N LEU A 54 0.823 0.932 -1.576 1.00 0.00 N ATOM 822 CA LEU A 54 2.183 0.538 -1.200 1.00 0.00 C ATOM 823 C LEU A 54 2.250 -0.936 -0.770 1.00 0.00 C ATOM 824 O LEU A 54 3.254 -1.611 -1.002 1.00 0.00 O ATOM 825 CB LEU A 54 2.688 1.425 -0.057 1.00 0.00 C ATOM 826 CG LEU A 54 3.349 2.745 -0.468 1.00 0.00 C ATOM 827 CD1 LEU A 54 2.400 3.601 -1.294 1.00 0.00 C ATOM 828 CD2 LEU A 54 3.807 3.506 0.768 1.00 0.00 C ATOM 0 H LEU A 54 0.494 1.786 -1.125 1.00 0.00 H new ATOM 0 HA LEU A 54 2.817 0.665 -2.078 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.847 1.652 0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.404 0.851 0.531 1.00 0.00 H new ATOM 0 HG LEU A 54 4.216 2.514 -1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.897 4.531 -1.571 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.114 3.060 -2.196 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.509 3.826 -0.708 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.275 4.443 0.466 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.947 3.719 1.404 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.527 2.902 1.321 1.00 0.00 H new ATOM 840 N GLY A 55 1.170 -1.421 -0.141 1.00 0.00 N ATOM 841 CA GLY A 55 1.111 -2.799 0.336 1.00 0.00 C ATOM 842 C GLY A 55 1.541 -3.833 -0.694 1.00 0.00 C ATOM 843 O GLY A 55 2.297 -4.747 -0.371 1.00 0.00 O ATOM 0 H GLY A 55 0.329 -0.875 0.046 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.745 -2.894 1.217 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.091 -3.019 0.652 1.00 0.00 H new ATOM 847 N LEU A 56 1.035 -3.707 -1.924 1.00 0.00 N ATOM 848 CA LEU A 56 1.361 -4.650 -3.000 1.00 0.00 C ATOM 849 C LEU A 56 2.855 -4.972 -3.056 1.00 0.00 C ATOM 850 O LEU A 56 3.239 -6.142 -3.021 1.00 0.00 O ATOM 851 CB LEU A 56 0.903 -4.109 -4.358 1.00 0.00 C ATOM 852 CG LEU A 56 -0.557 -3.647 -4.432 1.00 0.00 C ATOM 853 CD1 LEU A 56 -0.960 -3.398 -5.877 1.00 0.00 C ATOM 854 CD2 LEU A 56 -1.481 -4.669 -3.783 1.00 0.00 C ATOM 0 H LEU A 56 0.397 -2.961 -2.201 1.00 0.00 H new ATOM 0 HA LEU A 56 0.825 -5.573 -2.777 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.544 -3.270 -4.629 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.058 -4.884 -5.108 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.650 -2.711 -3.881 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.999 -3.071 -5.914 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.321 -2.626 -6.305 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.849 -4.319 -6.449 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.512 -4.320 -3.847 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.388 -5.624 -4.301 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.205 -4.796 -2.736 1.00 0.00 H new ATOM 866 N ARG A 57 3.695 -3.938 -3.151 1.00 0.00 N ATOM 867 CA ARG A 57 5.146 -4.131 -3.216 1.00 0.00 C ATOM 868 C ARG A 57 5.670 -4.885 -1.990 1.00 0.00 C ATOM 869 O ARG A 57 6.636 -5.644 -2.092 1.00 0.00 O ATOM 870 CB ARG A 57 5.858 -2.785 -3.366 1.00 0.00 C ATOM 871 CG ARG A 57 5.750 -2.207 -4.770 1.00 0.00 C ATOM 872 CD ARG A 57 6.377 -0.826 -4.860 1.00 0.00 C ATOM 873 NE ARG A 57 6.361 -0.302 -6.226 1.00 0.00 N ATOM 874 CZ ARG A 57 5.357 0.409 -6.748 1.00 0.00 C ATOM 875 NH1 ARG A 57 4.265 0.670 -6.033 1.00 0.00 N ATOM 876 NH2 ARG A 57 5.444 0.856 -7.998 1.00 0.00 N ATOM 0 H ARG A 57 3.397 -2.963 -3.184 1.00 0.00 H new ATOM 0 HA ARG A 57 5.361 -4.741 -4.093 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.436 -2.076 -2.654 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.910 -2.906 -3.109 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.240 -2.876 -5.477 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.701 -2.150 -5.060 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.840 -0.141 -4.203 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.405 -0.871 -4.502 1.00 0.00 H new ATOM 0 HE ARG A 57 7.169 -0.492 -6.819 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.188 0.326 -5.076 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.505 1.214 -6.442 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.275 0.656 -8.555 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.680 1.399 -8.400 1.00 0.00 H new ATOM 890 N TYR A 58 5.030 -4.679 -0.836 1.00 0.00 N ATOM 891 CA TYR A 58 5.417 -5.370 0.395 1.00 0.00 C ATOM 892 C TYR A 58 5.168 -6.872 0.261 1.00 0.00 C ATOM 893 O TYR A 58 6.038 -7.689 0.568 1.00 0.00 O ATOM 894 CB TYR A 58 4.628 -4.821 1.588 1.00 0.00 C ATOM 895 CG TYR A 58 4.870 -5.576 2.878 1.00 0.00 C ATOM 896 CD1 TYR A 58 5.947 -5.266 3.695 1.00 0.00 C ATOM 897 CD2 TYR A 58 4.019 -6.601 3.275 1.00 0.00 C ATOM 898 CE1 TYR A 58 6.173 -5.954 4.871 1.00 0.00 C ATOM 899 CE2 TYR A 58 4.237 -7.294 4.450 1.00 0.00 C ATOM 900 CZ TYR A 58 5.316 -6.966 5.244 1.00 0.00 C ATOM 901 OH TYR A 58 5.539 -7.653 6.418 1.00 0.00 O ATOM 0 H TYR A 58 4.242 -4.040 -0.729 1.00 0.00 H new ATOM 0 HA TYR A 58 6.480 -5.198 0.564 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.892 -3.774 1.736 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.564 -4.852 1.354 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.621 -4.473 3.407 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.174 -6.860 2.655 1.00 0.00 H new ATOM 0 HE1 TYR A 58 7.017 -5.700 5.495 1.00 0.00 H new ATOM 0 HE2 TYR A 58 3.567 -8.088 4.745 1.00 0.00 H new ATOM 0 HH TYR A 58 4.844 -8.334 6.536 1.00 0.00 H new ATOM 911 N LYS A 59 3.964 -7.218 -0.199 1.00 0.00 N ATOM 912 CA LYS A 59 3.566 -8.611 -0.395 1.00 0.00 C ATOM 913 C LYS A 59 4.193 -9.213 -1.659 1.00 0.00 C ATOM 914 O LYS A 59 4.087 -10.419 -1.888 1.00 0.00 O ATOM 915 CB LYS A 59 2.040 -8.698 -0.486 1.00 0.00 C ATOM 916 CG LYS A 59 1.336 -8.436 0.836 1.00 0.00 C ATOM 917 CD LYS A 59 1.502 -9.606 1.795 1.00 0.00 C ATOM 918 CE LYS A 59 0.977 -9.273 3.183 1.00 0.00 C ATOM 919 NZ LYS A 59 1.027 -10.449 4.094 1.00 0.00 N ATOM 0 H LYS A 59 3.241 -6.542 -0.445 1.00 0.00 H new ATOM 0 HA LYS A 59 3.926 -9.185 0.459 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.687 -7.979 -1.225 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.762 -9.688 -0.846 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.738 -7.531 1.291 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.276 -8.258 0.656 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.973 -10.475 1.404 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.556 -9.877 1.860 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.565 -8.460 3.608 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.050 -8.917 3.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.660 -10.179 5.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.445 -11.217 3.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.011 -10.774 4.188 1.00 0.00 H new ATOM 933 N LYS A 60 4.841 -8.372 -2.477 1.00 0.00 N ATOM 934 CA LYS A 60 5.477 -8.820 -3.715 1.00 0.00 C ATOM 935 C LYS A 60 4.427 -9.282 -4.726 1.00 0.00 C ATOM 936 O LYS A 60 4.393 -10.450 -5.122 1.00 0.00 O ATOM 937 CB LYS A 60 6.491 -9.940 -3.435 1.00 0.00 C ATOM 938 CG LYS A 60 7.535 -9.575 -2.390 1.00 0.00 C ATOM 939 CD LYS A 60 8.443 -8.453 -2.869 1.00 0.00 C ATOM 940 CE LYS A 60 9.407 -8.010 -1.778 1.00 0.00 C ATOM 941 NZ LYS A 60 8.711 -7.287 -0.676 1.00 0.00 N ATOM 0 H LYS A 60 4.936 -7.372 -2.298 1.00 0.00 H new ATOM 0 HA LYS A 60 6.016 -7.975 -4.144 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.954 -10.829 -3.104 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.997 -10.201 -4.365 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.037 -9.272 -1.469 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.136 -10.453 -2.154 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.007 -8.787 -3.740 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.837 -7.604 -3.187 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.920 -8.882 -1.372 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.171 -7.363 -2.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.415 -6.829 -0.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.081 -6.565 -1.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.151 -7.962 -0.117 1.00 0.00 H new ATOM 955 N LEU A 61 3.563 -8.349 -5.134 1.00 0.00 N ATOM 956 CA LEU A 61 2.505 -8.649 -6.102 1.00 0.00 C ATOM 957 C LEU A 61 1.874 -7.376 -6.681 1.00 0.00 C ATOM 958 O LEU A 61 0.702 -7.378 -7.060 1.00 0.00 O ATOM 959 CB LEU A 61 1.428 -9.535 -5.455 1.00 0.00 C ATOM 960 CG LEU A 61 1.089 -9.203 -3.994 1.00 0.00 C ATOM 961 CD1 LEU A 61 0.557 -7.785 -3.862 1.00 0.00 C ATOM 962 CD2 LEU A 61 0.080 -10.201 -3.446 1.00 0.00 C ATOM 0 H LEU A 61 3.575 -7.382 -4.810 1.00 0.00 H new ATOM 0 HA LEU A 61 2.964 -9.188 -6.931 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.516 -9.460 -6.047 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.757 -10.573 -5.507 1.00 0.00 H new ATOM 0 HG LEU A 61 2.007 -9.273 -3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.326 -7.579 -2.817 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.310 -7.080 -4.213 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.347 -7.678 -4.461 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.151 -9.953 -2.410 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.832 -10.160 -4.041 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.499 -11.206 -3.494 1.00 0.00 H new ATOM 974 N TYR A 62 2.656 -6.298 -6.770 1.00 0.00 N ATOM 975 CA TYR A 62 2.165 -5.031 -7.316 1.00 0.00 C ATOM 976 C TYR A 62 1.772 -5.155 -8.796 1.00 0.00 C ATOM 977 O TYR A 62 1.047 -4.306 -9.320 1.00 0.00 O ATOM 978 CB TYR A 62 3.235 -3.946 -7.139 1.00 0.00 C ATOM 979 CG TYR A 62 2.862 -2.606 -7.735 1.00 0.00 C ATOM 980 CD1 TYR A 62 1.954 -1.769 -7.101 1.00 0.00 C ATOM 981 CD2 TYR A 62 3.420 -2.181 -8.935 1.00 0.00 C ATOM 982 CE1 TYR A 62 1.612 -0.547 -7.644 1.00 0.00 C ATOM 983 CE2 TYR A 62 3.083 -0.959 -9.484 1.00 0.00 C ATOM 984 CZ TYR A 62 2.179 -0.146 -8.836 1.00 0.00 C ATOM 985 OH TYR A 62 1.842 1.072 -9.381 1.00 0.00 O ATOM 0 H TYR A 62 3.631 -6.277 -6.471 1.00 0.00 H new ATOM 0 HA TYR A 62 1.265 -4.755 -6.766 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.432 -3.816 -6.075 1.00 0.00 H new ATOM 0 HB3 TYR A 62 4.163 -4.289 -7.596 1.00 0.00 H new ATOM 0 HD1 TYR A 62 1.508 -2.079 -6.168 1.00 0.00 H new ATOM 0 HD2 TYR A 62 4.128 -2.816 -9.446 1.00 0.00 H new ATOM 0 HE1 TYR A 62 0.904 0.092 -7.138 1.00 0.00 H new ATOM 0 HE2 TYR A 62 3.526 -0.642 -10.417 1.00 0.00 H new ATOM 0 HH TYR A 62 2.331 1.201 -10.220 1.00 0.00 H new ATOM 995 N ASN A 63 2.238 -6.215 -9.462 1.00 0.00 N ATOM 996 CA ASN A 63 1.941 -6.428 -10.877 1.00 0.00 C ATOM 997 C ASN A 63 0.491 -6.864 -11.113 1.00 0.00 C ATOM 998 O ASN A 63 -0.230 -6.222 -11.879 1.00 0.00 O ATOM 999 CB ASN A 63 2.901 -7.467 -11.467 1.00 0.00 C ATOM 1000 CG ASN A 63 2.803 -7.557 -12.979 1.00 0.00 C ATOM 1001 OD1 ASN A 63 3.483 -6.826 -13.699 1.00 0.00 O ATOM 1002 ND2 ASN A 63 1.957 -8.458 -13.471 1.00 0.00 N ATOM 0 H ASN A 63 2.822 -6.938 -9.042 1.00 0.00 H new ATOM 0 HA ASN A 63 2.078 -5.471 -11.380 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.923 -7.213 -11.187 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.685 -8.444 -11.033 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.853 -8.563 -14.480 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.412 -9.044 -12.839 1.00 0.00 H new ATOM 1009 N GLN A 64 0.059 -7.949 -10.457 1.00 0.00 N ATOM 1010 CA GLN A 64 -1.305 -8.458 -10.650 1.00 0.00 C ATOM 1011 C GLN A 64 -2.287 -7.945 -9.592 1.00 0.00 C ATOM 1012 O GLN A 64 -3.491 -7.948 -9.834 1.00 0.00 O ATOM 1013 CB GLN A 64 -1.314 -9.988 -10.655 1.00 0.00 C ATOM 1014 CG GLN A 64 -0.545 -10.606 -11.813 1.00 0.00 C ATOM 1015 CD GLN A 64 -0.657 -12.120 -11.843 1.00 0.00 C ATOM 1016 OE1 GLN A 64 -1.555 -12.674 -12.476 1.00 0.00 O ATOM 1017 NE2 GLN A 64 0.257 -12.798 -11.156 1.00 0.00 N ATOM 0 H GLN A 64 0.624 -8.484 -9.798 1.00 0.00 H new ATOM 0 HA GLN A 64 -1.638 -8.082 -11.617 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.890 -10.347 -9.717 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -2.347 -10.335 -10.691 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.919 -10.199 -12.752 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.505 -10.324 -11.739 1.00 0.00 H new ATOM 0 HE21 GLN A 64 0.985 -12.299 -10.645 1.00 0.00 H new ATOM 0 HE22 GLN A 64 0.231 -13.818 -11.140 1.00 0.00 H new ATOM 1026 N ALA A 65 -1.804 -7.505 -8.433 1.00 0.00 N ATOM 1027 CA ALA A 65 -2.702 -7.040 -7.371 1.00 0.00 C ATOM 1028 C ALA A 65 -3.504 -5.805 -7.787 1.00 0.00 C ATOM 1029 O ALA A 65 -4.694 -5.702 -7.483 1.00 0.00 O ATOM 1030 CB ALA A 65 -1.919 -6.756 -6.103 1.00 0.00 C ATOM 0 H ALA A 65 -0.811 -7.459 -8.204 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.417 -7.841 -7.181 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.600 -6.412 -5.324 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.420 -7.667 -5.772 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.174 -5.985 -6.300 1.00 0.00 H new ATOM 1036 N ARG A 66 -2.851 -4.873 -8.481 1.00 0.00 N ATOM 1037 CA ARG A 66 -3.504 -3.642 -8.928 1.00 0.00 C ATOM 1038 C ARG A 66 -4.549 -3.911 -10.018 1.00 0.00 C ATOM 1039 O ARG A 66 -5.577 -3.234 -10.074 1.00 0.00 O ATOM 1040 CB ARG A 66 -2.453 -2.646 -9.431 1.00 0.00 C ATOM 1041 CG ARG A 66 -3.016 -1.279 -9.791 1.00 0.00 C ATOM 1042 CD ARG A 66 -1.906 -0.268 -10.037 1.00 0.00 C ATOM 1043 NE ARG A 66 -2.392 0.929 -10.727 1.00 0.00 N ATOM 1044 CZ ARG A 66 -1.816 2.133 -10.641 1.00 0.00 C ATOM 1045 NH1 ARG A 66 -0.724 2.310 -9.903 1.00 0.00 N ATOM 1046 NH2 ARG A 66 -2.334 3.163 -11.300 1.00 0.00 N ATOM 0 H ARG A 66 -1.869 -4.947 -8.746 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.029 -3.215 -8.074 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.689 -2.522 -8.664 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -1.960 -3.066 -10.307 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.637 -1.363 -10.683 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.660 -0.926 -8.986 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.461 0.019 -9.085 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.118 -0.733 -10.630 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.223 0.839 -11.311 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.318 1.523 -9.396 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.292 3.232 -9.844 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.170 3.035 -11.871 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.896 4.082 -11.236 1.00 0.00 H new ATOM 1060 N VAL A 67 -4.287 -4.902 -10.878 1.00 0.00 N ATOM 1061 CA VAL A 67 -5.211 -5.244 -11.966 1.00 0.00 C ATOM 1062 C VAL A 67 -6.303 -6.221 -11.514 1.00 0.00 C ATOM 1063 O VAL A 67 -7.466 -6.076 -11.896 1.00 0.00 O ATOM 1064 CB VAL A 67 -4.470 -5.846 -13.184 1.00 0.00 C ATOM 1065 CG1 VAL A 67 -3.495 -4.837 -13.771 1.00 0.00 C ATOM 1066 CG2 VAL A 67 -3.748 -7.135 -12.811 1.00 0.00 C ATOM 0 H VAL A 67 -3.447 -5.479 -10.842 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.680 -4.305 -12.261 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.216 -6.088 -13.941 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.984 -5.280 -14.626 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.040 -3.950 -14.093 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.761 -4.558 -13.015 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.237 -7.533 -13.688 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.018 -6.930 -12.028 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.472 -7.866 -12.450 1.00 0.00 H new ATOM 1076 N LYS A 68 -5.924 -7.213 -10.704 1.00 0.00 N ATOM 1077 CA LYS A 68 -6.871 -8.218 -10.212 1.00 0.00 C ATOM 1078 C LYS A 68 -7.882 -7.616 -9.240 1.00 0.00 C ATOM 1079 O LYS A 68 -9.068 -7.943 -9.289 1.00 0.00 O ATOM 1080 CB LYS A 68 -6.125 -9.366 -9.524 1.00 0.00 C ATOM 1081 CG LYS A 68 -5.268 -10.198 -10.468 1.00 0.00 C ATOM 1082 CD LYS A 68 -6.115 -10.949 -11.484 1.00 0.00 C ATOM 1083 CE LYS A 68 -5.261 -11.837 -12.378 1.00 0.00 C ATOM 1084 NZ LYS A 68 -4.300 -11.048 -13.202 1.00 0.00 N ATOM 0 H LYS A 68 -4.967 -7.342 -10.375 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.413 -8.599 -11.077 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.490 -8.955 -8.739 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.851 -10.018 -9.038 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.565 -9.548 -10.990 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.677 -10.909 -9.891 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.854 -11.559 -10.963 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.666 -10.236 -12.098 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.711 -12.548 -11.762 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.908 -12.418 -13.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.444 -11.268 -14.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.459 -10.033 -13.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.327 -11.293 -12.930 1.00 0.00 H new ATOM 1098 N TYR A 69 -7.405 -6.745 -8.353 1.00 0.00 N ATOM 1099 CA TYR A 69 -8.267 -6.105 -7.365 1.00 0.00 C ATOM 1100 C TYR A 69 -8.536 -4.646 -7.728 1.00 0.00 C ATOM 1101 O TYR A 69 -7.811 -4.050 -8.526 1.00 0.00 O ATOM 1102 CB TYR A 69 -7.630 -6.194 -5.978 1.00 0.00 C ATOM 1103 CG TYR A 69 -7.490 -7.607 -5.463 1.00 0.00 C ATOM 1104 CD1 TYR A 69 -6.411 -8.401 -5.835 1.00 0.00 C ATOM 1105 CD2 TYR A 69 -8.436 -8.148 -4.604 1.00 0.00 C ATOM 1106 CE1 TYR A 69 -6.281 -9.693 -5.364 1.00 0.00 C ATOM 1107 CE2 TYR A 69 -8.313 -9.438 -4.129 1.00 0.00 C ATOM 1108 CZ TYR A 69 -7.235 -10.207 -4.512 1.00 0.00 C ATOM 1109 OH TYR A 69 -7.107 -11.494 -4.038 1.00 0.00 O ATOM 0 H TYR A 69 -6.425 -6.467 -8.299 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.221 -6.631 -7.356 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.645 -5.729 -6.010 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.231 -5.618 -5.274 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -5.662 -8.001 -6.503 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -9.283 -7.550 -4.302 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -5.437 -10.297 -5.662 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -9.058 -9.843 -3.460 1.00 0.00 H new ATOM 0 HH TYR A 69 -7.862 -11.702 -3.449 1.00 0.00 H new ATOM 1119 N SER A 70 -9.585 -4.076 -7.133 1.00 0.00 N ATOM 1120 CA SER A 70 -9.957 -2.688 -7.392 1.00 0.00 C ATOM 1121 C SER A 70 -9.151 -1.724 -6.522 1.00 0.00 C ATOM 1122 O SER A 70 -9.546 -1.403 -5.399 1.00 0.00 O ATOM 1123 CB SER A 70 -11.456 -2.480 -7.158 1.00 0.00 C ATOM 1124 OG SER A 70 -11.858 -1.179 -7.550 1.00 0.00 O ATOM 0 H SER A 70 -10.191 -4.556 -6.468 1.00 0.00 H new ATOM 0 HA SER A 70 -9.729 -2.474 -8.436 1.00 0.00 H new ATOM 0 HB2 SER A 70 -12.021 -3.223 -7.720 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.687 -2.633 -6.104 1.00 0.00 H new ATOM 0 HG SER A 70 -12.819 -1.072 -7.392 1.00 0.00 H new ATOM 1130 N LEU A 71 -8.011 -1.281 -7.050 1.00 0.00 N ATOM 1131 CA LEU A 71 -7.145 -0.339 -6.346 1.00 0.00 C ATOM 1132 C LEU A 71 -7.023 0.952 -7.151 1.00 0.00 C ATOM 1133 O LEU A 71 -7.510 2.004 -6.732 1.00 0.00 O ATOM 1134 CB LEU A 71 -5.755 -0.947 -6.108 1.00 0.00 C ATOM 1135 CG LEU A 71 -5.701 -2.093 -5.092 1.00 0.00 C ATOM 1136 CD1 LEU A 71 -6.340 -3.350 -5.659 1.00 0.00 C ATOM 1137 CD2 LEU A 71 -4.265 -2.369 -4.674 1.00 0.00 C ATOM 0 H LEU A 71 -7.665 -1.562 -7.968 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.590 -0.118 -5.376 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.369 -1.311 -7.060 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.084 -0.156 -5.773 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.267 -1.791 -4.211 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.289 -4.149 -4.920 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.383 -3.149 -5.905 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.807 -3.655 -6.560 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.247 -3.186 -3.952 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.678 -2.645 -5.550 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.840 -1.474 -4.220 1.00 0.00 H new ATOM 1149 N LEU A 72 -6.371 0.859 -8.310 1.00 0.00 N ATOM 1150 CA LEU A 72 -6.187 2.005 -9.197 1.00 0.00 C ATOM 1151 C LEU A 72 -6.580 1.636 -10.624 1.00 0.00 C ATOM 1152 O LEU A 72 -7.436 2.283 -11.229 1.00 0.00 O ATOM 1153 CB LEU A 72 -4.733 2.494 -9.165 1.00 0.00 C ATOM 1154 CG LEU A 72 -4.307 3.249 -7.900 1.00 0.00 C ATOM 1155 CD1 LEU A 72 -5.276 4.382 -7.594 1.00 0.00 C ATOM 1156 CD2 LEU A 72 -4.196 2.300 -6.716 1.00 0.00 C ATOM 0 H LEU A 72 -5.959 -0.007 -8.658 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.830 2.812 -8.846 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.077 1.632 -9.288 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.570 3.144 -10.025 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.324 3.683 -8.080 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.953 4.903 -6.693 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.294 5.081 -8.430 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.275 3.975 -7.440 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.893 2.858 -5.830 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.162 1.829 -6.535 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.453 1.532 -6.933 1.00 0.00 H new ATOM 1168 N GLU A 73 -5.946 0.588 -11.154 1.00 0.00 N ATOM 1169 CA GLU A 73 -6.223 0.118 -12.507 1.00 0.00 C ATOM 1170 C GLU A 73 -6.120 -1.407 -12.578 1.00 0.00 C ATOM 1171 O GLU A 73 -7.175 -2.073 -12.515 1.00 0.00 O ATOM 1172 CB GLU A 73 -5.260 0.767 -13.509 1.00 0.00 C ATOM 1173 CG GLU A 73 -5.340 2.284 -13.540 1.00 0.00 C ATOM 1174 CD GLU A 73 -4.444 2.892 -14.600 1.00 0.00 C ATOM 1175 OE1 GLU A 73 -3.265 3.168 -14.293 1.00 0.00 O ATOM 1176 OE2 GLU A 73 -4.918 3.091 -15.738 1.00 0.00 O ATOM 0 H GLU A 73 -5.234 0.048 -10.661 1.00 0.00 H new ATOM 0 HA GLU A 73 -7.241 0.407 -12.769 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -4.240 0.471 -13.263 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -5.472 0.381 -14.506 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.371 2.586 -13.724 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.061 2.679 -12.563 1.00 0.00 H new TER 1183 GLU A 73